USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 873 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 34 GLN : amide:sc= 1.79 K(o=3.7,f=2.3) USER MOD Set 1.2: A 64 HIS : no HE2:sc= 1.16 K(o=3.7,f=-7.9!) USER MOD Set 1.3: A 111 ASN : amide:sc= 0.786 K(o=3.7,f=2.3) USER MOD Set 2.1: A 66 HIS : no HD1:sc=-0.00153 K(o=-0.0015,f=-1) USER MOD Set 2.2: A 95 GLN : amide:sc= 0 K(o=-0.0015,f=-0.8) USER MOD Set 3.1: A 41 MET CE :methyl -177:sc= 0 (180deg=-0.00844) USER MOD Set 3.2: A 71 MET CE :methyl -124:sc= -0.163 (180deg=-0.772) USER MOD Single : A 23 MET CE :methyl 173:sc= 0 (180deg=-0.0629) USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= 0.0746 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.096) USER MOD Single : A 29 SER OG : rot 51:sc= 1.25 USER MOD Single : A 35 SER OG : rot 76:sc= 1.26 USER MOD Single : A 44 ASN : amide:sc= -1.12! K(o=-1.1!,f=-0.029) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 69 THR OG1 : rot 91:sc= 2.05 USER MOD Single : A 75 GLN : amide:sc= 1.1 K(o=1.1,f=-0.018) USER MOD Single : A 77 SER OG : rot 81:sc= 0.0786 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -130:sc= 0.0498 USER MOD Single : A 89 SER OG : rot -78:sc= 1.21 USER MOD Single : A 93 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.2!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -167:sc= -0.0305 (180deg=-0.252) USER MOD Single : A 112 THR OG1 : rot 97:sc= 1.03 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.1!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 8.184 28.533 2.049 1.00 0.00 N ATOM 2 CA MET A 23 8.341 27.906 0.730 1.00 0.00 C ATOM 3 C MET A 23 8.741 26.455 0.932 1.00 0.00 C ATOM 4 O MET A 23 9.928 26.142 1.048 1.00 0.00 O ATOM 5 CB MET A 23 9.341 28.669 -0.156 1.00 0.00 C ATOM 6 CG MET A 23 8.768 30.004 -0.646 1.00 0.00 C ATOM 7 SD MET A 23 9.905 31.051 -1.599 1.00 0.00 S ATOM 8 CE MET A 23 10.200 30.011 -3.054 1.00 0.00 C ATOM 0 HA MET A 23 7.392 27.944 0.195 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.257 28.851 0.405 1.00 0.00 H new ATOM 0 HB3 MET A 23 9.610 28.053 -1.014 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.892 29.798 -1.261 1.00 0.00 H new ATOM 0 HG3 MET A 23 8.423 30.569 0.220 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.780 30.569 -3.789 1.00 0.00 H new ATOM 0 HE2 MET A 23 10.752 29.119 -2.758 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.246 29.718 -3.492 1.00 0.00 H new ATOM 20 N LYS A 24 7.752 25.559 0.975 1.00 0.00 N ATOM 21 CA LYS A 24 7.969 24.124 0.887 1.00 0.00 C ATOM 22 C LYS A 24 6.749 23.537 0.182 1.00 0.00 C ATOM 23 O LYS A 24 5.630 23.991 0.428 1.00 0.00 O ATOM 24 CB LYS A 24 8.130 23.520 2.297 1.00 0.00 C ATOM 25 CG LYS A 24 9.164 22.388 2.409 1.00 0.00 C ATOM 26 CD LYS A 24 9.084 21.315 1.322 1.00 0.00 C ATOM 27 CE LYS A 24 10.092 20.198 1.573 1.00 0.00 C ATOM 28 NZ LYS A 24 10.010 19.172 0.518 1.00 0.00 N ATOM 0 H LYS A 24 6.770 25.818 1.073 1.00 0.00 H new ATOM 0 HA LYS A 24 8.880 23.897 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.411 24.316 2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.162 23.141 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.161 22.827 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.047 21.907 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.077 20.899 1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.272 21.766 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.100 20.612 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.902 19.743 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.951 18.757 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.346 18.426 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.675 19.608 -0.365 1.00 0.00 H new ATOM 42 N VAL A 25 6.962 22.524 -0.650 1.00 0.00 N ATOM 43 CA VAL A 25 5.942 21.679 -1.247 1.00 0.00 C ATOM 44 C VAL A 25 6.452 20.241 -1.091 1.00 0.00 C ATOM 45 O VAL A 25 7.661 20.012 -1.231 1.00 0.00 O ATOM 46 CB VAL A 25 5.720 22.107 -2.711 1.00 0.00 C ATOM 47 CG1 VAL A 25 4.791 21.179 -3.500 1.00 0.00 C ATOM 48 CG2 VAL A 25 5.127 23.522 -2.751 1.00 0.00 C ATOM 0 H VAL A 25 7.903 22.258 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 25 4.967 21.765 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 25 6.701 22.062 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.687 21.550 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.212 20.174 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.812 21.152 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.971 23.822 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.173 23.532 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.815 24.218 -2.271 1.00 0.00 H new ATOM 58 N PRO A 26 5.599 19.256 -0.757 1.00 0.00 N ATOM 59 CA PRO A 26 6.005 17.864 -0.775 1.00 0.00 C ATOM 60 C PRO A 26 6.210 17.461 -2.240 1.00 0.00 C ATOM 61 O PRO A 26 5.310 17.679 -3.052 1.00 0.00 O ATOM 62 CB PRO A 26 4.865 17.061 -0.130 1.00 0.00 C ATOM 63 CG PRO A 26 3.856 18.112 0.341 1.00 0.00 C ATOM 64 CD PRO A 26 4.177 19.345 -0.488 1.00 0.00 C ATOM 0 HA PRO A 26 6.931 17.682 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.413 16.373 -0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 26 5.228 16.461 0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.831 17.780 0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.960 18.312 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.600 19.360 -1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.934 20.259 0.054 1.00 0.00 H new ATOM 72 N PRO A 27 7.330 16.831 -2.613 1.00 0.00 N ATOM 73 CA PRO A 27 7.475 16.256 -3.947 1.00 0.00 C ATOM 74 C PRO A 27 6.584 15.020 -4.162 1.00 0.00 C ATOM 75 O PRO A 27 6.461 14.569 -5.299 1.00 0.00 O ATOM 76 CB PRO A 27 8.964 15.947 -4.088 1.00 0.00 C ATOM 77 CG PRO A 27 9.433 15.751 -2.653 1.00 0.00 C ATOM 78 CD PRO A 27 8.545 16.675 -1.833 1.00 0.00 C ATOM 0 HA PRO A 27 7.139 16.949 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.132 15.053 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.497 16.763 -4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.324 14.713 -2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.486 16.009 -2.541 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.331 16.248 -0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 27 9.029 17.637 -1.663 1.00 0.00 H new ATOM 86 N HIS A 28 5.939 14.510 -3.101 1.00 0.00 N ATOM 87 CA HIS A 28 5.079 13.327 -3.068 1.00 0.00 C ATOM 88 C HIS A 28 5.778 12.067 -3.602 1.00 0.00 C ATOM 89 O HIS A 28 6.971 12.078 -3.930 1.00 0.00 O ATOM 90 CB HIS A 28 3.715 13.628 -3.724 1.00 0.00 C ATOM 91 CG HIS A 28 2.925 14.683 -2.987 1.00 0.00 C ATOM 92 ND1 HIS A 28 2.818 16.014 -3.323 1.00 0.00 N ATOM 93 CD2 HIS A 28 2.188 14.486 -1.849 1.00 0.00 C ATOM 94 CE1 HIS A 28 2.060 16.613 -2.392 1.00 0.00 C ATOM 95 NE2 HIS A 28 1.656 15.725 -1.462 1.00 0.00 N ATOM 0 H HIS A 28 6.013 14.947 -2.182 1.00 0.00 H new ATOM 0 HA HIS A 28 4.871 13.086 -2.026 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.876 13.955 -4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.130 12.710 -3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.042 13.544 -1.340 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.808 17.663 -2.388 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.080 15.915 -0.642 1.00 0.00 H new ATOM 103 N SER A 29 5.065 10.944 -3.559 1.00 0.00 N ATOM 104 CA SER A 29 5.608 9.616 -3.809 1.00 0.00 C ATOM 105 C SER A 29 4.528 8.643 -4.284 1.00 0.00 C ATOM 106 O SER A 29 4.754 7.445 -4.226 1.00 0.00 O ATOM 107 CB SER A 29 6.317 9.104 -2.540 1.00 0.00 C ATOM 108 OG SER A 29 5.681 9.527 -1.343 1.00 0.00 O ATOM 0 H SER A 29 4.068 10.935 -3.344 1.00 0.00 H new ATOM 0 HA SER A 29 6.338 9.683 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.350 8.015 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.349 9.454 -2.540 1.00 0.00 H new ATOM 0 HG SER A 29 4.724 9.321 -1.391 1.00 0.00 H new ATOM 114 N ILE A 30 3.363 9.119 -4.731 1.00 0.00 N ATOM 115 CA ILE A 30 2.193 8.298 -5.048 1.00 0.00 C ATOM 116 C ILE A 30 2.598 7.106 -5.911 1.00 0.00 C ATOM 117 O ILE A 30 2.256 5.970 -5.621 1.00 0.00 O ATOM 118 CB ILE A 30 1.120 9.173 -5.758 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.774 10.459 -4.978 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.179 8.412 -6.091 1.00 0.00 C ATOM 121 CD1 ILE A 30 0.461 10.192 -3.505 1.00 0.00 C ATOM 0 H ILE A 30 3.204 10.114 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 30 1.764 7.906 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 30 1.595 9.454 -6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.609 11.156 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.084 10.942 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.879 9.086 -6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.048 7.577 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.626 8.034 -5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.225 11.132 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.392 9.518 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.327 9.735 -3.026 1.00 0.00 H new ATOM 133 N GLU A 31 3.262 7.355 -7.021 1.00 0.00 N ATOM 134 CA GLU A 31 3.653 6.327 -7.964 1.00 0.00 C ATOM 135 C GLU A 31 4.701 5.346 -7.422 1.00 0.00 C ATOM 136 O GLU A 31 4.637 4.146 -7.695 1.00 0.00 O ATOM 137 CB GLU A 31 4.002 7.029 -9.262 1.00 0.00 C ATOM 138 CG GLU A 31 2.695 7.653 -9.796 1.00 0.00 C ATOM 139 CD GLU A 31 2.948 8.418 -11.095 1.00 0.00 C ATOM 140 OE1 GLU A 31 3.209 7.806 -12.157 1.00 0.00 O ATOM 141 OE2 GLU A 31 2.952 9.670 -11.064 1.00 0.00 O ATOM 0 H GLU A 31 3.550 8.293 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 31 2.827 5.642 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.757 7.797 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.417 6.325 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.957 6.870 -9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.276 8.326 -9.048 1.00 0.00 H new ATOM 148 N ALA A 32 5.646 5.836 -6.617 1.00 0.00 N ATOM 149 CA ALA A 32 6.567 4.996 -5.856 1.00 0.00 C ATOM 150 C ALA A 32 5.786 4.098 -4.892 1.00 0.00 C ATOM 151 O ALA A 32 5.988 2.886 -4.873 1.00 0.00 O ATOM 152 CB ALA A 32 7.577 5.868 -5.095 1.00 0.00 C ATOM 0 H ALA A 32 5.793 6.835 -6.475 1.00 0.00 H new ATOM 0 HA ALA A 32 7.120 4.359 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.258 5.229 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.146 6.469 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.045 6.526 -4.408 1.00 0.00 H new ATOM 158 N GLU A 33 4.873 4.687 -4.122 1.00 0.00 N ATOM 159 CA GLU A 33 3.967 4.022 -3.200 1.00 0.00 C ATOM 160 C GLU A 33 3.169 2.952 -3.953 1.00 0.00 C ATOM 161 O GLU A 33 3.103 1.818 -3.486 1.00 0.00 O ATOM 162 CB GLU A 33 3.045 5.062 -2.530 1.00 0.00 C ATOM 163 CG GLU A 33 3.721 5.988 -1.509 1.00 0.00 C ATOM 164 CD GLU A 33 2.872 7.224 -1.180 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.654 7.083 -0.916 1.00 0.00 O ATOM 166 OE2 GLU A 33 3.412 8.353 -1.207 1.00 0.00 O ATOM 0 H GLU A 33 4.742 5.699 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 33 4.532 3.527 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.595 5.677 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.232 4.533 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.916 5.431 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.687 6.309 -1.899 1.00 0.00 H new ATOM 173 N GLN A 34 2.623 3.274 -5.132 1.00 0.00 N ATOM 174 CA GLN A 34 1.898 2.325 -5.968 1.00 0.00 C ATOM 175 C GLN A 34 2.804 1.138 -6.301 1.00 0.00 C ATOM 176 O GLN A 34 2.408 -0.010 -6.109 1.00 0.00 O ATOM 177 CB GLN A 34 1.398 2.946 -7.287 1.00 0.00 C ATOM 178 CG GLN A 34 0.295 4.012 -7.169 1.00 0.00 C ATOM 179 CD GLN A 34 -1.100 3.532 -7.589 1.00 0.00 C ATOM 180 OE1 GLN A 34 -1.288 2.911 -8.635 1.00 0.00 O ATOM 181 NE2 GLN A 34 -2.123 3.825 -6.802 1.00 0.00 N ATOM 0 H GLN A 34 2.676 4.211 -5.531 1.00 0.00 H new ATOM 0 HA GLN A 34 1.025 2.008 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.251 3.392 -7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.029 2.142 -7.924 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.251 4.358 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.570 4.871 -7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.968 4.340 -5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.066 3.536 -7.063 1.00 0.00 H new ATOM 190 N SER A 35 4.010 1.423 -6.796 1.00 0.00 N ATOM 191 CA SER A 35 4.969 0.428 -7.256 1.00 0.00 C ATOM 192 C SER A 35 5.390 -0.517 -6.128 1.00 0.00 C ATOM 193 O SER A 35 5.558 -1.716 -6.359 1.00 0.00 O ATOM 194 CB SER A 35 6.187 1.145 -7.853 1.00 0.00 C ATOM 195 OG SER A 35 5.804 2.023 -8.900 1.00 0.00 O ATOM 0 H SER A 35 4.352 2.380 -6.889 1.00 0.00 H new ATOM 0 HA SER A 35 4.496 -0.187 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.700 1.707 -7.073 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.895 0.409 -8.233 1.00 0.00 H new ATOM 0 HG SER A 35 5.400 2.830 -8.519 1.00 0.00 H new ATOM 201 N VAL A 36 5.559 0.007 -4.913 1.00 0.00 N ATOM 202 CA VAL A 36 5.865 -0.780 -3.729 1.00 0.00 C ATOM 203 C VAL A 36 4.666 -1.648 -3.379 1.00 0.00 C ATOM 204 O VAL A 36 4.813 -2.859 -3.256 1.00 0.00 O ATOM 205 CB VAL A 36 6.279 0.160 -2.575 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.387 -0.547 -1.219 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.641 0.798 -2.871 1.00 0.00 C ATOM 0 H VAL A 36 5.485 1.007 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 36 6.707 -1.447 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 36 5.488 0.908 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.681 0.173 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.422 -0.980 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.135 -1.338 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.920 1.458 -2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.393 0.016 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.580 1.374 -3.794 1.00 0.00 H new ATOM 217 N LEU A 37 3.487 -1.050 -3.205 1.00 0.00 N ATOM 218 CA LEU A 37 2.316 -1.774 -2.729 1.00 0.00 C ATOM 219 C LEU A 37 1.897 -2.860 -3.716 1.00 0.00 C ATOM 220 O LEU A 37 1.548 -3.957 -3.291 1.00 0.00 O ATOM 221 CB LEU A 37 1.163 -0.804 -2.455 1.00 0.00 C ATOM 222 CG LEU A 37 1.407 0.127 -1.252 1.00 0.00 C ATOM 223 CD1 LEU A 37 0.202 1.051 -1.098 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.652 -0.619 0.061 1.00 0.00 C ATOM 0 H LEU A 37 3.321 -0.061 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 37 2.579 -2.267 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.992 -0.197 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.252 -1.377 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 37 2.318 0.689 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.360 1.717 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.079 1.642 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.695 0.455 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.816 0.101 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.784 -1.234 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.531 -1.255 -0.041 1.00 0.00 H new ATOM 236 N GLY A 38 1.963 -2.588 -5.018 1.00 0.00 N ATOM 237 CA GLY A 38 1.811 -3.608 -6.041 1.00 0.00 C ATOM 238 C GLY A 38 2.861 -4.699 -5.859 1.00 0.00 C ATOM 239 O GLY A 38 2.523 -5.886 -5.811 1.00 0.00 O ATOM 0 H GLY A 38 2.124 -1.651 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.813 -4.042 -5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.910 -3.159 -7.029 1.00 0.00 H new ATOM 243 N GLY A 39 4.128 -4.300 -5.701 1.00 0.00 N ATOM 244 CA GLY A 39 5.246 -5.211 -5.562 1.00 0.00 C ATOM 245 C GLY A 39 5.129 -6.134 -4.355 1.00 0.00 C ATOM 246 O GLY A 39 5.650 -7.243 -4.421 1.00 0.00 O ATOM 0 H GLY A 39 4.399 -3.317 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.327 -5.815 -6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.167 -4.634 -5.481 1.00 0.00 H new ATOM 250 N LEU A 40 4.436 -5.730 -3.288 1.00 0.00 N ATOM 251 CA LEU A 40 4.176 -6.562 -2.114 1.00 0.00 C ATOM 252 C LEU A 40 3.204 -7.695 -2.437 1.00 0.00 C ATOM 253 O LEU A 40 3.409 -8.833 -2.007 1.00 0.00 O ATOM 254 CB LEU A 40 3.586 -5.700 -0.987 1.00 0.00 C ATOM 255 CG LEU A 40 4.573 -4.716 -0.342 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.828 -3.845 0.671 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.710 -5.466 0.346 1.00 0.00 C ATOM 0 H LEU A 40 4.032 -4.796 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 40 5.123 -6.999 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.741 -5.137 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.194 -6.359 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 40 5.004 -4.085 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.525 -3.145 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.039 -3.290 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.388 -4.478 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.398 -4.750 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.302 -6.114 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.244 -6.070 -0.388 1.00 0.00 H new ATOM 269 N MET A 41 2.149 -7.411 -3.208 1.00 0.00 N ATOM 270 CA MET A 41 1.230 -8.450 -3.676 1.00 0.00 C ATOM 271 C MET A 41 1.989 -9.402 -4.595 1.00 0.00 C ATOM 272 O MET A 41 1.789 -10.616 -4.539 1.00 0.00 O ATOM 273 CB MET A 41 0.034 -7.847 -4.440 1.00 0.00 C ATOM 274 CG MET A 41 -0.670 -6.696 -3.716 1.00 0.00 C ATOM 275 SD MET A 41 -1.948 -5.884 -4.708 1.00 0.00 S ATOM 276 CE MET A 41 -1.894 -4.210 -4.023 1.00 0.00 C ATOM 0 H MET A 41 1.912 -6.469 -3.520 1.00 0.00 H new ATOM 0 HA MET A 41 0.840 -8.982 -2.808 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.382 -7.490 -5.410 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.693 -8.636 -4.632 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.121 -7.077 -2.800 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.073 -5.955 -3.421 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.663 -3.599 -4.495 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.071 -4.251 -2.948 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.915 -3.771 -4.213 1.00 0.00 H new ATOM 286 N LEU A 42 2.878 -8.855 -5.425 1.00 0.00 N ATOM 287 CA LEU A 42 3.705 -9.599 -6.362 1.00 0.00 C ATOM 288 C LEU A 42 4.824 -10.397 -5.677 1.00 0.00 C ATOM 289 O LEU A 42 5.303 -11.377 -6.245 1.00 0.00 O ATOM 290 CB LEU A 42 4.242 -8.609 -7.415 1.00 0.00 C ATOM 291 CG LEU A 42 4.401 -9.226 -8.821 1.00 0.00 C ATOM 292 CD1 LEU A 42 3.819 -8.302 -9.897 1.00 0.00 C ATOM 293 CD2 LEU A 42 5.880 -9.472 -9.139 1.00 0.00 C ATOM 0 H LEU A 42 3.044 -7.849 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 42 3.095 -10.359 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.567 -7.756 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.208 -8.228 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 42 3.859 -10.172 -8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.944 -8.761 -10.878 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.758 -8.142 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.340 -7.345 -9.875 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.971 -9.907 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.421 -8.527 -9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.301 -10.157 -8.404 1.00 0.00 H new ATOM 305 N ASP A 43 5.262 -9.993 -4.481 1.00 0.00 N ATOM 306 CA ASP A 43 6.381 -10.587 -3.746 1.00 0.00 C ATOM 307 C ASP A 43 6.335 -10.215 -2.267 1.00 0.00 C ATOM 308 O ASP A 43 6.832 -9.183 -1.814 1.00 0.00 O ATOM 309 CB ASP A 43 7.708 -10.137 -4.336 1.00 0.00 C ATOM 310 CG ASP A 43 8.918 -10.867 -3.773 1.00 0.00 C ATOM 311 OD1 ASP A 43 8.794 -11.762 -2.903 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.013 -10.562 -4.300 1.00 0.00 O ATOM 0 H ASP A 43 4.831 -9.215 -3.981 1.00 0.00 H new ATOM 0 HA ASP A 43 6.291 -11.669 -3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.681 -10.281 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.828 -9.068 -4.160 1.00 0.00 H new ATOM 317 N ASN A 44 5.709 -11.097 -1.511 1.00 0.00 N ATOM 318 CA ASN A 44 5.489 -10.991 -0.071 1.00 0.00 C ATOM 319 C ASN A 44 6.773 -10.978 0.750 1.00 0.00 C ATOM 320 O ASN A 44 6.719 -10.508 1.885 1.00 0.00 O ATOM 321 CB ASN A 44 4.611 -12.144 0.434 1.00 0.00 C ATOM 322 CG ASN A 44 5.019 -13.454 -0.217 1.00 0.00 C ATOM 323 OD1 ASN A 44 5.981 -14.103 0.177 1.00 0.00 O ATOM 324 ND2 ASN A 44 4.370 -13.765 -1.329 1.00 0.00 N ATOM 0 H ASN A 44 5.317 -11.954 -1.901 1.00 0.00 H new ATOM 0 HA ASN A 44 4.993 -10.030 0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.699 -12.227 1.517 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.564 -11.934 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.667 -14.566 -1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.573 -13.203 -1.628 1.00 0.00 H new ATOM 331 N GLU A 45 7.921 -11.445 0.257 1.00 0.00 N ATOM 332 CA GLU A 45 9.164 -11.322 1.014 1.00 0.00 C ATOM 333 C GLU A 45 9.703 -9.892 1.011 1.00 0.00 C ATOM 334 O GLU A 45 10.562 -9.548 1.831 1.00 0.00 O ATOM 335 CB GLU A 45 10.187 -12.329 0.489 1.00 0.00 C ATOM 336 CG GLU A 45 10.294 -13.496 1.469 1.00 0.00 C ATOM 337 CD GLU A 45 11.244 -13.182 2.635 1.00 0.00 C ATOM 338 OE1 GLU A 45 10.888 -12.368 3.517 1.00 0.00 O ATOM 339 OE2 GLU A 45 12.370 -13.735 2.663 1.00 0.00 O ATOM 0 H GLU A 45 8.015 -11.905 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 45 8.957 -11.555 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.887 -12.691 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.158 -11.849 0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.305 -13.732 1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.648 -14.382 0.941 1.00 0.00 H new ATOM 346 N ARG A 46 9.194 -9.018 0.138 1.00 0.00 N ATOM 347 CA ARG A 46 9.491 -7.599 0.251 1.00 0.00 C ATOM 348 C ARG A 46 8.714 -6.977 1.401 1.00 0.00 C ATOM 349 O ARG A 46 9.070 -5.869 1.779 1.00 0.00 O ATOM 350 CB ARG A 46 9.214 -6.885 -1.077 1.00 0.00 C ATOM 351 CG ARG A 46 10.120 -7.428 -2.187 1.00 0.00 C ATOM 352 CD ARG A 46 11.566 -6.925 -2.058 1.00 0.00 C ATOM 353 NE ARG A 46 12.481 -7.817 -2.779 1.00 0.00 N ATOM 354 CZ ARG A 46 13.433 -7.514 -3.661 1.00 0.00 C ATOM 355 NH1 ARG A 46 13.801 -6.263 -3.897 1.00 0.00 N ATOM 356 NH2 ARG A 46 14.019 -8.497 -4.323 1.00 0.00 N ATOM 0 H ARG A 46 8.585 -9.268 -0.641 1.00 0.00 H new ATOM 0 HA ARG A 46 10.551 -7.479 0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.169 -7.020 -1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.377 -5.814 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.113 -8.518 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.720 -7.132 -3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.643 -5.914 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.849 -6.875 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 46 12.373 -8.811 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.352 -5.496 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.534 -6.067 -4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.740 -9.463 -4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.750 -8.289 -5.003 1.00 0.00 H new ATOM 370 N TRP A 47 7.724 -7.659 2.000 1.00 0.00 N ATOM 371 CA TRP A 47 6.958 -7.125 3.122 1.00 0.00 C ATOM 372 C TRP A 47 7.891 -6.589 4.186 1.00 0.00 C ATOM 373 O TRP A 47 7.828 -5.416 4.499 1.00 0.00 O ATOM 374 CB TRP A 47 5.990 -8.154 3.719 1.00 0.00 C ATOM 375 CG TRP A 47 5.291 -7.612 4.924 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.660 -7.825 6.206 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.262 -6.582 4.973 1.00 0.00 C ATOM 378 NE1 TRP A 47 4.922 -7.013 7.041 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.088 -6.180 6.329 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.527 -5.892 3.991 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.250 -5.114 6.687 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.688 -4.818 4.338 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.555 -4.425 5.680 1.00 0.00 C ATOM 0 H TRP A 47 7.437 -8.595 1.715 1.00 0.00 H new ATOM 0 HA TRP A 47 6.348 -6.309 2.735 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.254 -8.441 2.968 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.538 -9.057 3.990 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.417 -8.524 6.528 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.986 -7.028 8.059 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.608 -6.191 2.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.141 -4.827 7.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.143 -4.292 3.568 1.00 0.00 H new ATOM 0 HH2 TRP A 47 1.918 -3.592 5.938 1.00 0.00 H new ATOM 394 N ASP A 48 8.760 -7.433 4.722 1.00 0.00 N ATOM 395 CA ASP A 48 9.654 -7.093 5.821 1.00 0.00 C ATOM 396 C ASP A 48 10.706 -6.052 5.473 1.00 0.00 C ATOM 397 O ASP A 48 11.244 -5.388 6.355 1.00 0.00 O ATOM 398 CB ASP A 48 10.362 -8.377 6.235 1.00 0.00 C ATOM 399 CG ASP A 48 9.517 -9.194 7.209 1.00 0.00 C ATOM 400 OD1 ASP A 48 9.500 -8.899 8.433 1.00 0.00 O ATOM 401 OD2 ASP A 48 8.829 -10.127 6.738 1.00 0.00 O ATOM 0 H ASP A 48 8.866 -8.395 4.399 1.00 0.00 H new ATOM 0 HA ASP A 48 9.048 -6.656 6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.579 -8.975 5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.318 -8.133 6.698 1.00 0.00 H new ATOM 406 N ASP A 49 11.061 -5.970 4.201 1.00 0.00 N ATOM 407 CA ASP A 49 12.070 -5.040 3.680 1.00 0.00 C ATOM 408 C ASP A 49 11.432 -3.652 3.610 1.00 0.00 C ATOM 409 O ASP A 49 11.951 -2.672 4.143 1.00 0.00 O ATOM 410 CB ASP A 49 12.569 -5.508 2.300 1.00 0.00 C ATOM 411 CG ASP A 49 12.711 -4.391 1.265 1.00 0.00 C ATOM 412 OD1 ASP A 49 13.639 -3.564 1.423 1.00 0.00 O ATOM 413 OD2 ASP A 49 12.018 -4.423 0.226 1.00 0.00 O ATOM 0 H ASP A 49 10.650 -6.560 3.478 1.00 0.00 H new ATOM 0 HA ASP A 49 12.941 -5.007 4.335 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.535 -5.997 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.879 -6.259 1.914 1.00 0.00 H new ATOM 418 N VAL A 50 10.246 -3.590 3.019 1.00 0.00 N ATOM 419 CA VAL A 50 9.428 -2.404 2.947 1.00 0.00 C ATOM 420 C VAL A 50 9.020 -2.007 4.366 1.00 0.00 C ATOM 421 O VAL A 50 9.130 -0.839 4.698 1.00 0.00 O ATOM 422 CB VAL A 50 8.238 -2.724 2.027 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.174 -1.618 2.045 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.701 -2.902 0.568 1.00 0.00 C ATOM 0 H VAL A 50 9.819 -4.397 2.563 1.00 0.00 H new ATOM 0 HA VAL A 50 9.954 -1.548 2.525 1.00 0.00 H new ATOM 0 HB VAL A 50 7.805 -3.648 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.355 -1.891 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.793 -1.496 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.618 -0.681 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.840 -3.128 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.173 -1.983 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.417 -3.722 0.511 1.00 0.00 H new ATOM 434 N ALA A 51 8.585 -2.926 5.224 1.00 0.00 N ATOM 435 CA ALA A 51 8.180 -2.647 6.595 1.00 0.00 C ATOM 436 C ALA A 51 9.330 -2.184 7.489 1.00 0.00 C ATOM 437 O ALA A 51 9.097 -1.547 8.515 1.00 0.00 O ATOM 438 CB ALA A 51 7.488 -3.873 7.196 1.00 0.00 C ATOM 0 H ALA A 51 8.503 -3.912 4.976 1.00 0.00 H new ATOM 0 HA ALA A 51 7.480 -1.813 6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.188 -3.656 8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.606 -4.119 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.176 -4.718 7.191 1.00 0.00 H new ATOM 444 N GLU A 52 10.577 -2.467 7.130 1.00 0.00 N ATOM 445 CA GLU A 52 11.739 -1.914 7.749 1.00 0.00 C ATOM 446 C GLU A 52 11.874 -0.449 7.291 1.00 0.00 C ATOM 447 O GLU A 52 12.317 0.409 8.064 1.00 0.00 O ATOM 448 CB GLU A 52 12.910 -2.855 7.396 1.00 0.00 C ATOM 449 CG GLU A 52 14.247 -2.141 7.411 1.00 0.00 C ATOM 450 CD GLU A 52 15.341 -2.892 8.157 1.00 0.00 C ATOM 451 OE1 GLU A 52 15.382 -2.798 9.409 1.00 0.00 O ATOM 452 OE2 GLU A 52 16.196 -3.534 7.511 1.00 0.00 O ATOM 0 H GLU A 52 10.796 -3.113 6.371 1.00 0.00 H new ATOM 0 HA GLU A 52 11.702 -1.862 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.935 -3.682 8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.742 -3.286 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.570 -1.975 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.118 -1.159 7.867 1.00 0.00 H new ATOM 459 N ARG A 53 11.474 -0.121 6.061 1.00 0.00 N ATOM 460 CA ARG A 53 11.649 1.216 5.510 1.00 0.00 C ATOM 461 C ARG A 53 10.505 2.098 5.971 1.00 0.00 C ATOM 462 O ARG A 53 10.759 3.229 6.375 1.00 0.00 O ATOM 463 CB ARG A 53 11.740 1.161 3.972 1.00 0.00 C ATOM 464 CG ARG A 53 13.016 0.467 3.454 1.00 0.00 C ATOM 465 CD ARG A 53 14.189 1.434 3.245 1.00 0.00 C ATOM 466 NE ARG A 53 14.570 2.149 4.476 1.00 0.00 N ATOM 467 CZ ARG A 53 15.121 3.366 4.540 1.00 0.00 C ATOM 468 NH1 ARG A 53 15.479 4.023 3.444 1.00 0.00 N ATOM 469 NH2 ARG A 53 15.306 3.938 5.722 1.00 0.00 N ATOM 0 H ARG A 53 11.021 -0.776 5.423 1.00 0.00 H new ATOM 0 HA ARG A 53 12.585 1.643 5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.867 0.636 3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.703 2.176 3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.313 -0.307 4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.793 -0.032 2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.050 0.878 2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.922 2.160 2.477 1.00 0.00 H new ATOM 0 HE ARG A 53 14.398 1.672 5.361 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.336 3.601 2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.897 4.950 3.519 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.029 3.450 6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.726 4.866 5.779 1.00 0.00 H new ATOM 483 N VAL A 54 9.278 1.599 5.960 1.00 0.00 N ATOM 484 CA VAL A 54 8.075 2.372 6.161 1.00 0.00 C ATOM 485 C VAL A 54 7.116 1.637 7.096 1.00 0.00 C ATOM 486 O VAL A 54 7.210 0.431 7.326 1.00 0.00 O ATOM 487 CB VAL A 54 7.438 2.672 4.793 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.219 3.747 4.027 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.263 1.460 3.865 1.00 0.00 C ATOM 0 H VAL A 54 9.093 0.608 5.805 1.00 0.00 H new ATOM 0 HA VAL A 54 8.316 3.320 6.642 1.00 0.00 H new ATOM 0 HB VAL A 54 6.440 3.021 5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.738 3.931 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.234 4.669 4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.241 3.406 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.806 1.781 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.237 1.015 3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.622 0.722 4.347 1.00 0.00 H new ATOM 499 N VAL A 55 6.142 2.378 7.598 1.00 0.00 N ATOM 500 CA VAL A 55 5.044 1.925 8.436 1.00 0.00 C ATOM 501 C VAL A 55 3.748 2.368 7.757 1.00 0.00 C ATOM 502 O VAL A 55 3.793 3.185 6.831 1.00 0.00 O ATOM 503 CB VAL A 55 5.234 2.496 9.860 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.338 1.732 10.599 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.597 3.989 9.877 1.00 0.00 C ATOM 0 H VAL A 55 6.094 3.381 7.418 1.00 0.00 H new ATOM 0 HA VAL A 55 5.010 0.841 8.547 1.00 0.00 H new ATOM 0 HB VAL A 55 4.270 2.376 10.355 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.460 2.146 11.600 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.065 0.679 10.672 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.275 1.827 10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.715 4.323 10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.531 4.143 9.336 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.803 4.562 9.399 1.00 0.00 H new ATOM 515 N ALA A 56 2.580 1.895 8.208 1.00 0.00 N ATOM 516 CA ALA A 56 1.323 2.407 7.662 1.00 0.00 C ATOM 517 C ALA A 56 1.266 3.926 7.848 1.00 0.00 C ATOM 518 O ALA A 56 0.848 4.637 6.943 1.00 0.00 O ATOM 519 CB ALA A 56 0.108 1.718 8.292 1.00 0.00 C ATOM 0 H ALA A 56 2.481 1.180 8.928 1.00 0.00 H new ATOM 0 HA ALA A 56 1.289 2.181 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.806 2.126 7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.155 0.647 8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.109 1.891 9.368 1.00 0.00 H new ATOM 525 N ASP A 57 1.770 4.430 8.975 1.00 0.00 N ATOM 526 CA ASP A 57 1.792 5.855 9.298 1.00 0.00 C ATOM 527 C ASP A 57 2.572 6.696 8.272 1.00 0.00 C ATOM 528 O ASP A 57 2.333 7.906 8.178 1.00 0.00 O ATOM 529 CB ASP A 57 2.424 6.074 10.682 1.00 0.00 C ATOM 530 CG ASP A 57 1.679 5.400 11.830 1.00 0.00 C ATOM 531 OD1 ASP A 57 0.477 5.677 12.057 1.00 0.00 O ATOM 532 OD2 ASP A 57 2.262 4.494 12.471 1.00 0.00 O ATOM 0 H ASP A 57 2.182 3.846 9.703 1.00 0.00 H new ATOM 0 HA ASP A 57 0.753 6.184 9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.449 5.703 10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.477 7.145 10.878 1.00 0.00 H new ATOM 537 N ASP A 58 3.488 6.092 7.509 1.00 0.00 N ATOM 538 CA ASP A 58 4.349 6.756 6.527 1.00 0.00 C ATOM 539 C ASP A 58 3.637 6.893 5.176 1.00 0.00 C ATOM 540 O ASP A 58 3.983 7.780 4.386 1.00 0.00 O ATOM 541 CB ASP A 58 5.665 5.974 6.339 1.00 0.00 C ATOM 542 CG ASP A 58 6.747 6.260 7.386 1.00 0.00 C ATOM 543 OD1 ASP A 58 6.440 6.834 8.455 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.911 5.882 7.122 1.00 0.00 O ATOM 0 H ASP A 58 3.656 5.087 7.561 1.00 0.00 H new ATOM 0 HA ASP A 58 4.576 7.752 6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.441 4.907 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.067 6.202 5.352 1.00 0.00 H new ATOM 549 N PHE A 59 2.626 6.060 4.894 1.00 0.00 N ATOM 550 CA PHE A 59 1.800 6.165 3.698 1.00 0.00 C ATOM 551 C PHE A 59 0.762 7.267 3.915 1.00 0.00 C ATOM 552 O PHE A 59 -0.411 7.012 4.190 1.00 0.00 O ATOM 553 CB PHE A 59 1.157 4.819 3.339 1.00 0.00 C ATOM 554 CG PHE A 59 2.109 3.824 2.701 1.00 0.00 C ATOM 555 CD1 PHE A 59 2.360 3.864 1.314 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.743 2.850 3.491 1.00 0.00 C ATOM 557 CE1 PHE A 59 3.214 2.912 0.725 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.613 1.915 2.907 1.00 0.00 C ATOM 559 CZ PHE A 59 3.843 1.940 1.521 1.00 0.00 C ATOM 0 H PHE A 59 2.361 5.286 5.503 1.00 0.00 H new ATOM 0 HA PHE A 59 2.422 6.433 2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.739 4.376 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.325 4.997 2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.897 4.625 0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.560 2.820 4.555 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.386 2.929 -0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.105 1.177 3.523 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.502 1.214 1.069 1.00 0.00 H new ATOM 569 N TYR A 60 1.197 8.514 3.752 1.00 0.00 N ATOM 570 CA TYR A 60 0.360 9.710 3.791 1.00 0.00 C ATOM 571 C TYR A 60 -0.918 9.551 2.961 1.00 0.00 C ATOM 572 O TYR A 60 -1.974 10.045 3.350 1.00 0.00 O ATOM 573 CB TYR A 60 1.203 10.874 3.268 1.00 0.00 C ATOM 574 CG TYR A 60 0.457 12.154 2.936 1.00 0.00 C ATOM 575 CD1 TYR A 60 0.239 13.118 3.934 1.00 0.00 C ATOM 576 CD2 TYR A 60 0.052 12.416 1.609 1.00 0.00 C ATOM 577 CE1 TYR A 60 -0.354 14.352 3.614 1.00 0.00 C ATOM 578 CE2 TYR A 60 -0.526 13.654 1.278 1.00 0.00 C ATOM 579 CZ TYR A 60 -0.727 14.630 2.279 1.00 0.00 C ATOM 580 OH TYR A 60 -1.244 15.842 1.940 1.00 0.00 O ATOM 0 H TYR A 60 2.180 8.727 3.583 1.00 0.00 H new ATOM 0 HA TYR A 60 0.034 9.892 4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.964 11.106 4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.726 10.541 2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.529 12.910 4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.187 11.663 0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.524 15.087 4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.816 13.859 0.258 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.442 15.856 0.980 1.00 0.00 H new ATOM 590 N THR A 61 -0.832 8.895 1.810 1.00 0.00 N ATOM 591 CA THR A 61 -1.929 8.759 0.874 1.00 0.00 C ATOM 592 C THR A 61 -2.962 7.743 1.386 1.00 0.00 C ATOM 593 O THR A 61 -2.692 6.544 1.416 1.00 0.00 O ATOM 594 CB THR A 61 -1.378 8.459 -0.508 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.072 8.998 -0.690 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.307 8.982 -1.606 1.00 0.00 C ATOM 0 H THR A 61 0.023 8.434 1.499 1.00 0.00 H new ATOM 0 HA THR A 61 -2.478 9.697 0.790 1.00 0.00 H new ATOM 0 HB THR A 61 -1.315 7.374 -0.585 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.596 8.337 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.882 8.750 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.284 8.507 -1.513 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.418 10.062 -1.505 1.00 0.00 H new ATOM 604 N ARG A 62 -4.159 8.206 1.769 1.00 0.00 N ATOM 605 CA ARG A 62 -5.262 7.408 2.327 1.00 0.00 C ATOM 606 C ARG A 62 -5.428 5.986 1.763 1.00 0.00 C ATOM 607 O ARG A 62 -5.432 5.054 2.576 1.00 0.00 O ATOM 608 CB ARG A 62 -6.582 8.199 2.221 1.00 0.00 C ATOM 609 CG ARG A 62 -6.961 8.912 3.522 1.00 0.00 C ATOM 610 CD ARG A 62 -7.444 7.911 4.572 1.00 0.00 C ATOM 611 NE ARG A 62 -7.909 8.603 5.776 1.00 0.00 N ATOM 612 CZ ARG A 62 -7.889 8.142 7.026 1.00 0.00 C ATOM 613 NH1 ARG A 62 -7.459 6.914 7.304 1.00 0.00 N ATOM 614 NH2 ARG A 62 -8.311 8.933 7.998 1.00 0.00 N ATOM 0 H ARG A 62 -4.398 9.195 1.695 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.988 7.240 3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.494 8.936 1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.385 7.518 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.100 9.460 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.744 9.645 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.252 7.306 4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.634 7.228 4.829 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.290 9.540 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.136 6.305 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.453 6.582 8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.642 9.873 7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.305 8.603 8.963 1.00 0.00 H new ATOM 628 N PRO A 63 -5.581 5.766 0.442 1.00 0.00 N ATOM 629 CA PRO A 63 -5.760 4.426 -0.112 1.00 0.00 C ATOM 630 C PRO A 63 -4.483 3.606 0.028 1.00 0.00 C ATOM 631 O PRO A 63 -4.550 2.432 0.375 1.00 0.00 O ATOM 632 CB PRO A 63 -6.147 4.620 -1.583 1.00 0.00 C ATOM 633 CG PRO A 63 -5.533 5.976 -1.914 1.00 0.00 C ATOM 634 CD PRO A 63 -5.696 6.756 -0.616 1.00 0.00 C ATOM 0 HA PRO A 63 -6.534 3.874 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.745 3.828 -2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.228 4.620 -1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.485 5.885 -2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.049 6.461 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.930 7.525 -0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.661 7.261 -0.579 1.00 0.00 H new ATOM 642 N HIS A 64 -3.313 4.198 -0.201 1.00 0.00 N ATOM 643 CA HIS A 64 -2.056 3.495 -0.009 1.00 0.00 C ATOM 644 C HIS A 64 -1.941 3.043 1.455 1.00 0.00 C ATOM 645 O HIS A 64 -1.536 1.908 1.716 1.00 0.00 O ATOM 646 CB HIS A 64 -0.893 4.381 -0.479 1.00 0.00 C ATOM 647 CG HIS A 64 -0.933 4.779 -1.943 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.100 5.706 -2.526 1.00 0.00 N ATOM 649 CD2 HIS A 64 -1.702 4.242 -2.941 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.330 5.717 -3.853 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.335 4.867 -4.140 1.00 0.00 N ATOM 0 H HIS A 64 -3.214 5.162 -0.519 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.017 2.591 -0.616 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.880 5.287 0.127 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.043 3.856 -0.287 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.579 6.288 -2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.454 3.476 -2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.208 6.314 -4.575 1.00 0.00 H new ATOM 659 N ARG A 65 -2.404 3.866 2.409 1.00 0.00 N ATOM 660 CA ARG A 65 -2.466 3.468 3.807 1.00 0.00 C ATOM 661 C ARG A 65 -3.412 2.295 3.982 1.00 0.00 C ATOM 662 O ARG A 65 -3.036 1.347 4.660 1.00 0.00 O ATOM 663 CB ARG A 65 -2.862 4.629 4.744 1.00 0.00 C ATOM 664 CG ARG A 65 -1.935 4.649 5.974 1.00 0.00 C ATOM 665 CD ARG A 65 -2.592 4.969 7.316 1.00 0.00 C ATOM 666 NE ARG A 65 -3.350 3.810 7.807 1.00 0.00 N ATOM 667 CZ ARG A 65 -4.137 3.754 8.882 1.00 0.00 C ATOM 668 NH1 ARG A 65 -4.319 4.809 9.669 1.00 0.00 N ATOM 669 NH2 ARG A 65 -4.740 2.607 9.144 1.00 0.00 N ATOM 0 H ARG A 65 -2.740 4.812 2.228 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.459 3.164 4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.794 5.577 4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.899 4.515 5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.452 3.675 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.147 5.381 5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.830 5.247 8.044 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.257 5.826 7.207 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.265 2.951 7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.851 5.690 9.457 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.927 4.738 10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.595 1.803 8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.350 2.526 9.958 1.00 0.00 H new ATOM 683 N HIS A 66 -4.626 2.345 3.425 1.00 0.00 N ATOM 684 CA HIS A 66 -5.595 1.262 3.501 1.00 0.00 C ATOM 685 C HIS A 66 -4.988 -0.083 3.109 1.00 0.00 C ATOM 686 O HIS A 66 -5.060 -1.016 3.914 1.00 0.00 O ATOM 687 CB HIS A 66 -6.807 1.560 2.607 1.00 0.00 C ATOM 688 CG HIS A 66 -7.794 2.566 3.124 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.250 3.720 2.517 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.562 2.348 4.222 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.264 4.192 3.258 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.476 3.402 4.328 1.00 0.00 N ATOM 0 H HIS A 66 -4.962 3.154 2.902 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.915 1.195 4.541 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.440 1.908 1.641 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.337 0.624 2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.482 1.508 4.896 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.831 5.082 3.028 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.165 3.544 5.067 1.00 0.00 H new ATOM 700 N ILE A 67 -4.407 -0.190 1.908 1.00 0.00 N ATOM 701 CA ILE A 67 -3.704 -1.385 1.472 1.00 0.00 C ATOM 702 C ILE A 67 -2.664 -1.788 2.518 1.00 0.00 C ATOM 703 O ILE A 67 -2.768 -2.897 3.035 1.00 0.00 O ATOM 704 CB ILE A 67 -3.140 -1.190 0.043 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.280 -1.264 -1.002 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.091 -2.261 -0.303 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.811 0.083 -1.491 1.00 0.00 C ATOM 0 H ILE A 67 -4.416 0.558 1.214 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.393 -2.226 1.397 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.667 -0.208 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.924 -1.829 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.108 -1.827 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.718 -2.092 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.264 -2.202 0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.547 -3.249 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.605 -0.082 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.205 0.647 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.002 0.645 -1.958 1.00 0.00 H new ATOM 719 N PHE A 68 -1.702 -0.926 2.868 1.00 0.00 N ATOM 720 CA PHE A 68 -0.627 -1.326 3.776 1.00 0.00 C ATOM 721 C PHE A 68 -1.165 -1.749 5.151 1.00 0.00 C ATOM 722 O PHE A 68 -0.639 -2.682 5.755 1.00 0.00 O ATOM 723 CB PHE A 68 0.418 -0.210 3.902 1.00 0.00 C ATOM 724 CG PHE A 68 1.770 -0.697 4.396 1.00 0.00 C ATOM 725 CD1 PHE A 68 2.657 -1.341 3.512 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.149 -0.525 5.740 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.918 -1.772 3.958 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.415 -0.947 6.184 1.00 0.00 C ATOM 729 CZ PHE A 68 4.304 -1.565 5.291 1.00 0.00 C ATOM 0 H PHE A 68 -1.647 0.039 2.541 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.140 -2.201 3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.546 0.268 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.043 0.552 4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.366 -1.505 2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.463 -0.066 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.592 -2.264 3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.703 -0.795 7.214 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.281 -1.880 5.628 1.00 0.00 H new ATOM 739 N THR A 69 -2.241 -1.120 5.636 1.00 0.00 N ATOM 740 CA THR A 69 -2.866 -1.483 6.901 1.00 0.00 C ATOM 741 C THR A 69 -3.431 -2.896 6.798 1.00 0.00 C ATOM 742 O THR A 69 -3.254 -3.683 7.729 1.00 0.00 O ATOM 743 CB THR A 69 -3.970 -0.463 7.254 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.499 0.871 7.177 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.549 -0.646 8.655 1.00 0.00 C ATOM 0 H THR A 69 -2.699 -0.345 5.158 1.00 0.00 H new ATOM 0 HA THR A 69 -2.125 -1.464 7.700 1.00 0.00 H new ATOM 0 HB THR A 69 -4.749 -0.651 6.515 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.654 1.221 6.275 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.318 0.106 8.832 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.987 -1.641 8.741 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.756 -0.534 9.394 1.00 0.00 H new ATOM 753 N GLU A 70 -4.107 -3.226 5.697 1.00 0.00 N ATOM 754 CA GLU A 70 -4.738 -4.524 5.570 1.00 0.00 C ATOM 755 C GLU A 70 -3.706 -5.611 5.289 1.00 0.00 C ATOM 756 O GLU A 70 -3.862 -6.716 5.794 1.00 0.00 O ATOM 757 CB GLU A 70 -5.845 -4.486 4.509 1.00 0.00 C ATOM 758 CG GLU A 70 -6.949 -5.503 4.827 1.00 0.00 C ATOM 759 CD GLU A 70 -7.631 -5.292 6.187 1.00 0.00 C ATOM 760 OE1 GLU A 70 -7.610 -4.165 6.746 1.00 0.00 O ATOM 761 OE2 GLU A 70 -8.199 -6.281 6.711 1.00 0.00 O ATOM 0 H GLU A 70 -4.227 -2.613 4.891 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.209 -4.775 6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.272 -3.484 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.421 -4.700 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.705 -5.457 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.522 -6.506 4.800 1.00 0.00 H new ATOM 768 N MET A 71 -2.633 -5.298 4.559 1.00 0.00 N ATOM 769 CA MET A 71 -1.497 -6.192 4.384 1.00 0.00 C ATOM 770 C MET A 71 -0.884 -6.521 5.743 1.00 0.00 C ATOM 771 O MET A 71 -0.739 -7.695 6.066 1.00 0.00 O ATOM 772 CB MET A 71 -0.444 -5.565 3.469 1.00 0.00 C ATOM 773 CG MET A 71 -0.893 -5.474 2.013 1.00 0.00 C ATOM 774 SD MET A 71 0.389 -4.778 0.945 1.00 0.00 S ATOM 775 CE MET A 71 -0.156 -5.465 -0.633 1.00 0.00 C ATOM 0 H MET A 71 -2.532 -4.408 4.071 1.00 0.00 H new ATOM 0 HA MET A 71 -1.849 -7.111 3.916 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.205 -4.566 3.832 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.473 -6.152 3.524 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.162 -6.468 1.655 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.790 -4.859 1.949 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.658 -6.033 -1.083 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.010 -6.122 -0.468 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.446 -4.655 -1.302 1.00 0.00 H new ATOM 785 N ALA A 72 -0.577 -5.509 6.560 1.00 0.00 N ATOM 786 CA ALA A 72 -0.036 -5.720 7.896 1.00 0.00 C ATOM 787 C ALA A 72 -0.996 -6.547 8.749 1.00 0.00 C ATOM 788 O ALA A 72 -0.564 -7.478 9.425 1.00 0.00 O ATOM 789 CB ALA A 72 0.239 -4.373 8.561 1.00 0.00 C ATOM 0 H ALA A 72 -0.698 -4.527 6.311 1.00 0.00 H new ATOM 0 HA ALA A 72 0.899 -6.274 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.643 -4.536 9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.960 -3.813 7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.690 -3.807 8.634 1.00 0.00 H new ATOM 795 N ARG A 73 -2.295 -6.226 8.734 1.00 0.00 N ATOM 796 CA ARG A 73 -3.295 -7.015 9.466 1.00 0.00 C ATOM 797 C ARG A 73 -3.335 -8.465 8.989 1.00 0.00 C ATOM 798 O ARG A 73 -3.526 -9.361 9.810 1.00 0.00 O ATOM 799 CB ARG A 73 -4.691 -6.404 9.315 1.00 0.00 C ATOM 800 CG ARG A 73 -4.899 -5.155 10.171 1.00 0.00 C ATOM 801 CD ARG A 73 -6.132 -4.412 9.657 1.00 0.00 C ATOM 802 NE ARG A 73 -6.460 -3.236 10.475 1.00 0.00 N ATOM 803 CZ ARG A 73 -7.229 -2.213 10.078 1.00 0.00 C ATOM 804 NH1 ARG A 73 -7.768 -2.203 8.860 1.00 0.00 N ATOM 805 NH2 ARG A 73 -7.442 -1.181 10.885 1.00 0.00 N ATOM 0 H ARG A 73 -2.678 -5.429 8.226 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.998 -6.999 10.515 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.858 -6.151 8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.438 -7.150 9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.032 -5.431 11.217 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.021 -4.511 10.121 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.961 -4.098 8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.984 -5.092 9.645 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.072 -3.195 11.418 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.597 -2.979 8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.352 -1.420 8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.019 -1.164 11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.028 -0.405 10.577 1.00 0.00 H new ATOM 819 N LEU A 74 -3.234 -8.722 7.687 1.00 0.00 N ATOM 820 CA LEU A 74 -3.233 -10.061 7.136 1.00 0.00 C ATOM 821 C LEU A 74 -1.990 -10.797 7.595 1.00 0.00 C ATOM 822 O LEU A 74 -2.116 -11.902 8.114 1.00 0.00 O ATOM 823 CB LEU A 74 -3.290 -9.976 5.602 1.00 0.00 C ATOM 824 CG LEU A 74 -4.706 -9.760 5.047 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.653 -9.285 3.592 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.536 -11.046 5.127 1.00 0.00 C ATOM 0 H LEU A 74 -3.150 -7.991 6.981 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.105 -10.612 7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.650 -9.159 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.880 -10.894 5.181 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.180 -8.994 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.667 -9.139 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.107 -8.344 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.148 -10.034 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.533 -10.861 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.051 -11.829 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.616 -11.364 6.167 1.00 0.00 H new ATOM 838 N GLN A 75 -0.816 -10.187 7.456 1.00 0.00 N ATOM 839 CA GLN A 75 0.451 -10.781 7.837 1.00 0.00 C ATOM 840 C GLN A 75 0.454 -11.124 9.326 1.00 0.00 C ATOM 841 O GLN A 75 0.939 -12.190 9.706 1.00 0.00 O ATOM 842 CB GLN A 75 1.571 -9.780 7.501 1.00 0.00 C ATOM 843 CG GLN A 75 2.926 -10.439 7.237 1.00 0.00 C ATOM 844 CD GLN A 75 3.011 -10.992 5.819 1.00 0.00 C ATOM 845 OE1 GLN A 75 2.622 -12.125 5.552 1.00 0.00 O ATOM 846 NE2 GLN A 75 3.549 -10.235 4.880 1.00 0.00 N ATOM 0 H GLN A 75 -0.723 -9.248 7.068 1.00 0.00 H new ATOM 0 HA GLN A 75 0.611 -11.709 7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.280 -9.204 6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.675 -9.074 8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.722 -9.711 7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.086 -11.245 7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.871 -9.294 5.106 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.642 -10.591 3.929 1.00 0.00 H new ATOM 855 N GLU A 76 -0.151 -10.272 10.156 1.00 0.00 N ATOM 856 CA GLU A 76 -0.350 -10.509 11.581 1.00 0.00 C ATOM 857 C GLU A 76 -1.152 -11.789 11.813 1.00 0.00 C ATOM 858 O GLU A 76 -0.826 -12.588 12.692 1.00 0.00 O ATOM 859 CB GLU A 76 -1.091 -9.315 12.193 1.00 0.00 C ATOM 860 CG GLU A 76 -0.859 -9.175 13.697 1.00 0.00 C ATOM 861 CD GLU A 76 0.399 -8.350 13.961 1.00 0.00 C ATOM 862 OE1 GLU A 76 1.513 -8.910 13.978 1.00 0.00 O ATOM 863 OE2 GLU A 76 0.257 -7.116 14.146 1.00 0.00 O ATOM 0 H GLU A 76 -0.525 -9.376 9.844 1.00 0.00 H new ATOM 0 HA GLU A 76 0.624 -10.625 12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.769 -8.401 11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.159 -9.422 12.004 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.721 -8.697 14.163 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.758 -10.161 14.150 1.00 0.00 H new ATOM 870 N SER A 77 -2.176 -12.018 10.992 1.00 0.00 N ATOM 871 CA SER A 77 -2.982 -13.231 11.010 1.00 0.00 C ATOM 872 C SER A 77 -2.327 -14.365 10.199 1.00 0.00 C ATOM 873 O SER A 77 -2.965 -15.382 9.904 1.00 0.00 O ATOM 874 CB SER A 77 -4.393 -12.903 10.561 1.00 0.00 C ATOM 875 OG SER A 77 -4.942 -11.822 11.303 1.00 0.00 O ATOM 0 H SER A 77 -2.472 -11.349 10.281 1.00 0.00 H new ATOM 0 HA SER A 77 -3.041 -13.613 12.029 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.388 -12.651 9.500 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.026 -13.783 10.677 1.00 0.00 H new ATOM 0 HG SER A 77 -4.617 -10.974 10.935 1.00 0.00 H new ATOM 881 N GLY A 78 -1.060 -14.212 9.797 1.00 0.00 N ATOM 882 CA GLY A 78 -0.278 -15.204 9.075 1.00 0.00 C ATOM 883 C GLY A 78 -0.837 -15.435 7.681 1.00 0.00 C ATOM 884 O GLY A 78 -0.599 -16.482 7.083 1.00 0.00 O ATOM 0 H GLY A 78 -0.536 -13.355 9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.758 -14.873 9.004 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.276 -16.143 9.629 1.00 0.00 H new ATOM 888 N SER A 79 -1.623 -14.492 7.178 1.00 0.00 N ATOM 889 CA SER A 79 -2.376 -14.638 5.946 1.00 0.00 C ATOM 890 C SER A 79 -1.570 -14.030 4.792 1.00 0.00 C ATOM 891 O SER A 79 -0.823 -13.076 5.030 1.00 0.00 O ATOM 892 CB SER A 79 -3.726 -13.945 6.115 1.00 0.00 C ATOM 893 OG SER A 79 -4.384 -14.437 7.274 1.00 0.00 O ATOM 0 H SER A 79 -1.755 -13.586 7.627 1.00 0.00 H new ATOM 0 HA SER A 79 -2.553 -15.689 5.717 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.583 -12.868 6.198 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.345 -14.117 5.235 1.00 0.00 H new ATOM 0 HG SER A 79 -5.248 -13.986 7.376 1.00 0.00 H new ATOM 899 N PRO A 80 -1.722 -14.543 3.557 1.00 0.00 N ATOM 900 CA PRO A 80 -1.116 -13.938 2.379 1.00 0.00 C ATOM 901 C PRO A 80 -1.555 -12.481 2.204 1.00 0.00 C ATOM 902 O PRO A 80 -2.583 -12.050 2.733 1.00 0.00 O ATOM 903 CB PRO A 80 -1.555 -14.794 1.184 1.00 0.00 C ATOM 904 CG PRO A 80 -2.017 -16.112 1.801 1.00 0.00 C ATOM 905 CD PRO A 80 -2.498 -15.717 3.190 1.00 0.00 C ATOM 0 HA PRO A 80 -0.030 -13.914 2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.360 -14.314 0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.733 -14.950 0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.816 -16.569 1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.204 -16.837 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.565 -15.495 3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.343 -16.527 3.903 1.00 0.00 H new ATOM 913 N ILE A 81 -0.818 -11.746 1.373 1.00 0.00 N ATOM 914 CA ILE A 81 -1.077 -10.348 1.029 1.00 0.00 C ATOM 915 C ILE A 81 -1.281 -10.205 -0.489 1.00 0.00 C ATOM 916 O ILE A 81 -1.077 -9.136 -1.063 1.00 0.00 O ATOM 917 CB ILE A 81 0.012 -9.434 1.638 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.425 -9.698 1.069 1.00 0.00 C ATOM 919 CG2 ILE A 81 -0.002 -9.548 3.177 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.440 -8.639 1.516 1.00 0.00 C ATOM 0 H ILE A 81 0.006 -12.121 0.903 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.012 -10.009 1.476 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.234 -8.412 1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.765 -10.682 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.378 -9.716 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.768 -8.901 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.978 -9.243 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.194 -10.580 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.417 -8.869 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.116 -7.657 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.509 -8.638 2.604 1.00 0.00 H new ATOM 932 N ASP A 82 -1.650 -11.313 -1.139 1.00 0.00 N ATOM 933 CA ASP A 82 -1.938 -11.412 -2.563 1.00 0.00 C ATOM 934 C ASP A 82 -3.195 -10.617 -2.909 1.00 0.00 C ATOM 935 O ASP A 82 -3.956 -10.230 -2.022 1.00 0.00 O ATOM 936 CB ASP A 82 -2.148 -12.887 -2.939 1.00 0.00 C ATOM 937 CG ASP A 82 -1.546 -13.251 -4.291 1.00 0.00 C ATOM 938 OD1 ASP A 82 -1.614 -12.469 -5.272 1.00 0.00 O ATOM 939 OD2 ASP A 82 -0.983 -14.367 -4.387 1.00 0.00 O ATOM 0 H ASP A 82 -1.760 -12.206 -0.658 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.097 -11.002 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.705 -13.519 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.216 -13.104 -2.953 1.00 0.00 H new ATOM 944 N LEU A 83 -3.452 -10.428 -4.204 1.00 0.00 N ATOM 945 CA LEU A 83 -4.516 -9.572 -4.720 1.00 0.00 C ATOM 946 C LEU A 83 -5.861 -9.937 -4.103 1.00 0.00 C ATOM 947 O LEU A 83 -6.472 -9.131 -3.406 1.00 0.00 O ATOM 948 CB LEU A 83 -4.542 -9.682 -6.257 1.00 0.00 C ATOM 949 CG LEU A 83 -5.188 -8.508 -7.012 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.529 -8.020 -6.459 1.00 0.00 C ATOM 951 CD2 LEU A 83 -4.224 -7.334 -7.033 1.00 0.00 C ATOM 0 H LEU A 83 -2.910 -10.879 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.319 -8.536 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.517 -9.793 -6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.072 -10.595 -6.526 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.400 -8.898 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.893 -7.191 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.252 -8.835 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.398 -7.686 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.678 -6.500 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.998 -7.030 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.303 -7.629 -7.536 1.00 0.00 H new ATOM 963 N ILE A 84 -6.338 -11.152 -4.358 1.00 0.00 N ATOM 964 CA ILE A 84 -7.625 -11.619 -3.927 1.00 0.00 C ATOM 965 C ILE A 84 -7.694 -11.676 -2.405 1.00 0.00 C ATOM 966 O ILE A 84 -8.715 -11.303 -1.840 1.00 0.00 O ATOM 967 CB ILE A 84 -7.864 -12.978 -4.604 1.00 0.00 C ATOM 968 CG1 ILE A 84 -7.415 -12.959 -6.089 1.00 0.00 C ATOM 969 CG2 ILE A 84 -9.359 -13.327 -4.538 1.00 0.00 C ATOM 970 CD1 ILE A 84 -6.010 -13.495 -6.383 1.00 0.00 C ATOM 0 H ILE A 84 -5.814 -11.849 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.422 -10.936 -4.222 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.274 -13.726 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.131 -13.541 -6.670 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.471 -11.932 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.529 -14.291 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.675 -13.380 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.935 -12.558 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.812 -13.430 -7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.273 -12.902 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.943 -14.535 -6.065 1.00 0.00 H new ATOM 982 N THR A 85 -6.615 -12.072 -1.735 1.00 0.00 N ATOM 983 CA THR A 85 -6.543 -12.142 -0.285 1.00 0.00 C ATOM 984 C THR A 85 -6.789 -10.764 0.331 1.00 0.00 C ATOM 985 O THR A 85 -7.601 -10.608 1.248 1.00 0.00 O ATOM 986 CB THR A 85 -5.182 -12.714 0.151 1.00 0.00 C ATOM 987 OG1 THR A 85 -4.669 -13.635 -0.792 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.312 -13.402 1.512 1.00 0.00 C ATOM 0 H THR A 85 -5.752 -12.358 -2.197 1.00 0.00 H new ATOM 0 HA THR A 85 -7.324 -12.811 0.076 1.00 0.00 H new ATOM 0 HB THR A 85 -4.486 -11.878 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.399 -14.458 -0.333 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.344 -13.803 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.650 -12.679 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.035 -14.215 1.441 1.00 0.00 H new ATOM 996 N LEU A 86 -6.102 -9.760 -0.205 1.00 0.00 N ATOM 997 CA LEU A 86 -6.191 -8.362 0.181 1.00 0.00 C ATOM 998 C LEU A 86 -7.589 -7.832 -0.084 1.00 0.00 C ATOM 999 O LEU A 86 -8.195 -7.210 0.786 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.151 -7.587 -0.637 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.085 -6.084 -0.338 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.613 -5.808 1.092 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.120 -5.447 -1.337 1.00 0.00 C ATOM 0 H LEU A 86 -5.433 -9.911 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.993 -8.244 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.169 -8.023 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.368 -7.723 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.084 -5.658 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.580 -4.732 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.305 -6.267 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.617 -6.229 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.054 -4.376 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.133 -5.897 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.484 -5.614 -2.351 1.00 0.00 H new ATOM 1015 N ALA A 87 -8.087 -8.084 -1.292 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.402 -7.651 -1.738 1.00 0.00 C ATOM 1017 C ALA A 87 -10.503 -8.219 -0.847 1.00 0.00 C ATOM 1018 O ALA A 87 -11.393 -7.479 -0.432 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.633 -8.075 -3.187 1.00 0.00 C ATOM 0 H ALA A 87 -7.573 -8.607 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.438 -6.564 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.621 -7.745 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.873 -7.622 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.570 -9.161 -3.263 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.435 -9.518 -0.555 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.321 -10.211 0.365 1.00 0.00 C ATOM 1027 C GLU A 88 -11.255 -9.550 1.730 1.00 0.00 C ATOM 1028 O GLU A 88 -12.290 -9.261 2.325 1.00 0.00 O ATOM 1029 CB GLU A 88 -10.936 -11.694 0.483 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.400 -12.584 -0.684 1.00 0.00 C ATOM 1031 CD GLU A 88 -12.459 -13.587 -0.225 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -12.104 -14.593 0.437 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -13.664 -13.336 -0.466 1.00 0.00 O ATOM 0 H GLU A 88 -9.735 -10.133 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.339 -10.152 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.852 -11.766 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.353 -12.089 1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.806 -11.961 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.546 -13.118 -1.100 1.00 0.00 H new ATOM 1040 N SER A 89 -10.045 -9.272 2.217 1.00 0.00 N ATOM 1041 CA SER A 89 -9.881 -8.695 3.536 1.00 0.00 C ATOM 1042 C SER A 89 -10.536 -7.317 3.578 1.00 0.00 C ATOM 1043 O SER A 89 -11.229 -6.982 4.536 1.00 0.00 O ATOM 1044 CB SER A 89 -8.393 -8.661 3.892 1.00 0.00 C ATOM 1045 OG SER A 89 -8.199 -8.587 5.291 1.00 0.00 O ATOM 0 H SER A 89 -9.173 -9.439 1.715 1.00 0.00 H new ATOM 0 HA SER A 89 -10.379 -9.305 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.903 -9.553 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.922 -7.803 3.412 1.00 0.00 H new ATOM 0 HG SER A 89 -8.349 -7.667 5.594 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.357 -6.518 2.529 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.942 -5.196 2.442 1.00 0.00 C ATOM 1053 C LEU A 90 -12.466 -5.266 2.348 1.00 0.00 C ATOM 1054 O LEU A 90 -13.114 -4.446 2.998 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.328 -4.428 1.268 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.973 -3.778 1.621 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.250 -3.369 0.338 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -9.111 -2.547 2.536 1.00 0.00 C ATOM 0 H LEU A 90 -9.799 -6.777 1.716 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.713 -4.651 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.191 -5.108 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.023 -3.654 0.943 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.401 -4.526 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.294 -2.910 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.078 -4.251 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.862 -2.654 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.123 -2.137 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.719 -1.791 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.589 -2.840 3.471 1.00 0.00 H new ATOM 1070 N GLU A 91 -13.074 -6.196 1.598 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.535 -6.346 1.673 1.00 0.00 C ATOM 1072 C GLU A 91 -14.982 -6.846 3.050 1.00 0.00 C ATOM 1073 O GLU A 91 -16.017 -6.387 3.534 1.00 0.00 O ATOM 1074 CB GLU A 91 -15.160 -7.152 0.516 1.00 0.00 C ATOM 1075 CG GLU A 91 -14.689 -8.601 0.405 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.518 -9.445 -0.566 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -15.178 -9.537 -1.768 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -16.492 -10.099 -0.118 1.00 0.00 O ATOM 0 H GLU A 91 -12.601 -6.833 0.957 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.934 -5.340 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.244 -7.147 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.939 -6.642 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.647 -8.612 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.723 -9.061 1.392 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.216 -7.699 3.741 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.545 -8.090 5.116 1.00 0.00 C ATOM 1087 C ARG A 92 -14.526 -6.880 6.044 1.00 0.00 C ATOM 1088 O ARG A 92 -15.399 -6.770 6.907 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.611 -9.197 5.633 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.831 -10.547 4.919 1.00 0.00 C ATOM 1091 CD ARG A 92 -13.970 -11.711 5.905 1.00 0.00 C ATOM 1092 NE ARG A 92 -15.187 -11.580 6.732 1.00 0.00 N ATOM 1093 CZ ARG A 92 -15.287 -11.751 8.056 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -14.221 -11.952 8.827 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -16.486 -11.704 8.618 1.00 0.00 N ATOM 0 H ARG A 92 -13.368 -8.130 3.372 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.556 -8.497 5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.575 -8.885 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.768 -9.328 6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.728 -10.487 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.995 -10.741 4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.002 -12.652 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.093 -11.748 6.551 1.00 0.00 H new ATOM 0 HE ARG A 92 -16.046 -11.332 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.290 -11.980 8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.335 -12.078 9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.313 -11.540 8.043 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.582 -11.832 9.625 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.602 -5.937 5.845 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.589 -4.679 6.586 1.00 0.00 C ATOM 1111 C GLN A 93 -14.700 -3.735 6.113 1.00 0.00 C ATOM 1112 O GLN A 93 -14.956 -2.742 6.797 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.252 -3.940 6.399 1.00 0.00 C ATOM 1114 CG GLN A 93 -10.993 -4.661 6.890 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.800 -4.700 8.403 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.746 -4.668 9.188 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.564 -4.833 8.840 1.00 0.00 N ATOM 0 H GLN A 93 -12.845 -6.026 5.167 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.740 -4.941 7.633 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.128 -3.724 5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.318 -2.982 6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.015 -5.686 6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.123 -4.179 6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.789 -4.858 8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.382 -4.911 9.841 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.334 -3.974 4.961 1.00 0.00 N ATOM 1127 CA GLY A 94 -16.235 -3.009 4.350 1.00 0.00 C ATOM 1128 C GLY A 94 -15.468 -1.745 3.965 1.00 0.00 C ATOM 1129 O GLY A 94 -15.961 -0.640 4.174 1.00 0.00 O ATOM 0 H GLY A 94 -15.234 -4.840 4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.701 -3.444 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.038 -2.759 5.044 1.00 0.00 H new ATOM 1133 N GLN A 95 -14.237 -1.902 3.469 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.319 -0.834 3.083 1.00 0.00 C ATOM 1135 C GLN A 95 -12.811 -1.029 1.643 1.00 0.00 C ATOM 1136 O GLN A 95 -11.900 -0.322 1.217 1.00 0.00 O ATOM 1137 CB GLN A 95 -12.184 -0.701 4.116 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.716 -0.154 5.452 1.00 0.00 C ATOM 1139 CD GLN A 95 -11.615 0.119 6.477 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -10.588 0.729 6.185 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -11.804 -0.273 7.723 1.00 0.00 N ATOM 0 H GLN A 95 -13.836 -2.828 3.319 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.857 0.114 3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.718 -1.673 4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.411 -0.037 3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.266 0.769 5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.425 -0.868 5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.653 -0.780 7.975 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.101 -0.069 8.434 1.00 0.00 H new ATOM 1150 N LEU A 96 -13.383 -1.963 0.871 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.977 -2.204 -0.513 1.00 0.00 C ATOM 1152 C LEU A 96 -13.267 -0.981 -1.385 1.00 0.00 C ATOM 1153 O LEU A 96 -12.377 -0.494 -2.079 1.00 0.00 O ATOM 1154 CB LEU A 96 -13.639 -3.476 -1.047 1.00 0.00 C ATOM 1155 CG LEU A 96 -13.064 -3.917 -2.406 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -11.563 -4.245 -2.366 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -13.808 -5.167 -2.863 1.00 0.00 C ATOM 0 H LEU A 96 -14.138 -2.569 1.191 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.899 -2.363 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.509 -4.280 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.711 -3.308 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.194 -3.078 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.230 -4.548 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.006 -3.363 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.387 -5.057 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.413 -5.494 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.673 -5.960 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.870 -4.942 -2.964 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.474 -0.420 -1.299 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.805 0.819 -2.011 1.00 0.00 C ATOM 1171 C ASP A 97 -13.880 1.935 -1.541 1.00 0.00 C ATOM 1172 O ASP A 97 -13.468 2.772 -2.340 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.255 1.275 -1.795 1.00 0.00 C ATOM 1174 CG ASP A 97 -17.280 0.256 -2.254 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -17.342 -0.025 -3.472 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -18.030 -0.250 -1.389 1.00 0.00 O ATOM 0 H ASP A 97 -15.240 -0.802 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.678 0.609 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.409 1.483 -0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.418 2.210 -2.331 1.00 0.00 H new ATOM 1181 N SER A 98 -13.507 1.921 -0.258 1.00 0.00 N ATOM 1182 CA SER A 98 -12.644 2.918 0.355 1.00 0.00 C ATOM 1183 C SER A 98 -11.216 2.913 -0.188 1.00 0.00 C ATOM 1184 O SER A 98 -10.500 3.870 0.097 1.00 0.00 O ATOM 1185 CB SER A 98 -12.645 2.783 1.882 1.00 0.00 C ATOM 1186 OG SER A 98 -13.970 2.828 2.397 1.00 0.00 O ATOM 0 H SER A 98 -13.807 1.196 0.393 1.00 0.00 H new ATOM 0 HA SER A 98 -13.068 3.885 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.172 1.844 2.168 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.053 3.585 2.322 1.00 0.00 H new ATOM 0 HG SER A 98 -13.945 2.738 3.373 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.789 1.917 -0.977 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.517 2.004 -1.698 1.00 0.00 C ATOM 1194 C VAL A 99 -9.718 2.383 -3.163 1.00 0.00 C ATOM 1195 O VAL A 99 -8.780 2.853 -3.800 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.651 0.742 -1.509 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.518 0.427 -0.014 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -9.126 -0.519 -2.242 1.00 0.00 C ATOM 0 H VAL A 99 -11.303 1.049 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.949 2.820 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.695 0.997 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.906 -0.465 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.047 1.268 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.507 0.254 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.440 -1.340 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.125 -0.785 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.151 -0.329 -3.315 1.00 0.00 H new ATOM 1208 N GLY A 100 -10.935 2.235 -3.685 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.250 2.363 -5.102 1.00 0.00 C ATOM 1210 C GLY A 100 -11.844 1.088 -5.691 1.00 0.00 C ATOM 1211 O GLY A 100 -12.011 1.018 -6.911 1.00 0.00 O ATOM 0 H GLY A 100 -11.751 2.016 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.953 3.184 -5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.344 2.623 -5.649 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.178 0.090 -4.874 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.687 -1.200 -5.312 1.00 0.00 C ATOM 1217 C GLY A 101 -11.550 -2.196 -5.509 1.00 0.00 C ATOM 1218 O GLY A 101 -10.371 -1.842 -5.408 1.00 0.00 O ATOM 0 H GLY A 101 -12.098 0.163 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.391 -1.587 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.237 -1.080 -6.246 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.901 -3.438 -5.861 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.946 -4.458 -6.304 1.00 0.00 C ATOM 1224 C PHE A 102 -10.122 -3.910 -7.471 1.00 0.00 C ATOM 1225 O PHE A 102 -8.929 -4.186 -7.570 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.718 -5.731 -6.702 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.906 -6.988 -6.996 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -10.062 -7.081 -8.122 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -11.039 -8.110 -6.156 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.336 -8.260 -8.371 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -10.295 -9.278 -6.390 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.451 -9.365 -7.508 1.00 0.00 C ATOM 0 H PHE A 102 -12.867 -3.766 -5.846 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.258 -4.714 -5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.418 -5.964 -5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.312 -5.501 -7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.973 -6.243 -8.797 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.722 -8.072 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.685 -8.317 -9.231 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -10.373 -10.112 -5.708 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.896 -10.270 -7.704 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.742 -3.073 -8.309 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.119 -2.421 -9.444 1.00 0.00 C ATOM 1244 C ALA A 103 -8.829 -1.714 -9.045 1.00 0.00 C ATOM 1245 O ALA A 103 -7.812 -1.901 -9.701 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.122 -1.438 -10.059 1.00 0.00 C ATOM 0 H ALA A 103 -11.727 -2.828 -8.204 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.846 -3.174 -10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.666 -0.940 -10.915 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.009 -1.980 -10.385 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.405 -0.694 -9.315 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.835 -0.953 -7.949 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.651 -0.211 -7.531 1.00 0.00 C ATOM 1254 C TYR A 104 -6.509 -1.144 -7.143 1.00 0.00 C ATOM 1255 O TYR A 104 -5.343 -0.798 -7.323 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.002 0.688 -6.344 1.00 0.00 C ATOM 1257 CG TYR A 104 -7.199 1.969 -6.284 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -7.587 3.033 -7.111 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.141 2.138 -5.365 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -6.980 4.287 -6.972 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.516 3.395 -5.230 1.00 0.00 C ATOM 1262 CZ TYR A 104 -5.966 4.480 -6.018 1.00 0.00 C ATOM 1263 OH TYR A 104 -5.501 5.745 -5.853 1.00 0.00 O ATOM 0 H TYR A 104 -9.644 -0.836 -7.339 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.319 0.394 -8.375 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.062 0.938 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.847 0.130 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.355 2.885 -7.856 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.810 1.304 -4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.292 5.109 -7.600 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.702 3.528 -4.532 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.803 5.750 -5.165 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.837 -2.320 -6.606 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.864 -3.336 -6.234 1.00 0.00 C ATOM 1275 C LEU A 105 -5.287 -3.958 -7.497 1.00 0.00 C ATOM 1276 O LEU A 105 -4.069 -4.093 -7.589 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.492 -4.412 -5.336 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.206 -3.851 -4.094 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.831 -4.998 -3.308 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.248 -3.053 -3.205 1.00 0.00 C ATOM 0 H LEU A 105 -7.801 -2.593 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.065 -2.866 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.206 -4.989 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.712 -5.102 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.987 -3.167 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.337 -4.602 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.552 -5.520 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.051 -5.693 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.788 -2.673 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.437 -3.700 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.837 -2.218 -3.771 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.141 -4.297 -8.476 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.695 -4.788 -9.772 1.00 0.00 C ATOM 1294 C ALA A 106 -4.745 -3.774 -10.403 1.00 0.00 C ATOM 1295 O ALA A 106 -3.665 -4.139 -10.861 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.895 -5.095 -10.674 1.00 0.00 C ATOM 0 H ALA A 106 -7.155 -4.236 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.150 -5.723 -9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.541 -5.461 -11.638 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.518 -5.856 -10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.480 -4.187 -10.823 1.00 0.00 H new ATOM 1302 N GLU A 107 -5.122 -2.498 -10.370 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.341 -1.410 -10.925 1.00 0.00 C ATOM 1304 C GLU A 107 -2.993 -1.301 -10.211 1.00 0.00 C ATOM 1305 O GLU A 107 -1.964 -1.257 -10.874 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.146 -0.099 -10.848 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.881 0.821 -12.044 1.00 0.00 C ATOM 1308 CD GLU A 107 -5.539 0.280 -13.319 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -4.952 -0.595 -13.995 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -6.644 0.737 -13.688 1.00 0.00 O ATOM 0 H GLU A 107 -5.998 -2.192 -9.947 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.131 -1.611 -11.976 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.210 -0.331 -10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.893 0.426 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.264 1.819 -11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.807 0.918 -12.200 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.980 -1.305 -8.872 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.770 -1.257 -8.050 1.00 0.00 C ATOM 1319 C LEU A 108 -0.832 -2.403 -8.406 1.00 0.00 C ATOM 1320 O LEU A 108 0.349 -2.183 -8.652 1.00 0.00 O ATOM 1321 CB LEU A 108 -2.134 -1.359 -6.554 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.495 -0.017 -5.900 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -3.236 -0.246 -4.578 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.225 0.777 -5.601 1.00 0.00 C ATOM 0 H LEU A 108 -3.836 -1.343 -8.318 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.272 -0.307 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.976 -2.043 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.293 -1.798 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.133 0.533 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.484 0.716 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.152 -0.805 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.599 -0.811 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.491 1.727 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.591 0.207 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.686 0.965 -6.530 1.00 0.00 H new ATOM 1336 N SER A 109 -1.347 -3.628 -8.433 1.00 0.00 N ATOM 1337 CA SER A 109 -0.576 -4.815 -8.764 1.00 0.00 C ATOM 1338 C SER A 109 0.003 -4.690 -10.175 1.00 0.00 C ATOM 1339 O SER A 109 1.188 -4.964 -10.389 1.00 0.00 O ATOM 1340 CB SER A 109 -1.489 -6.028 -8.599 1.00 0.00 C ATOM 1341 OG SER A 109 -0.817 -7.251 -8.829 1.00 0.00 O ATOM 0 H SER A 109 -2.326 -3.824 -8.222 1.00 0.00 H new ATOM 0 HA SER A 109 0.278 -4.933 -8.097 1.00 0.00 H new ATOM 0 HB2 SER A 109 -1.905 -6.030 -7.591 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.328 -5.943 -9.290 1.00 0.00 H new ATOM 0 HG SER A 109 -1.443 -7.996 -8.710 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.783 -4.228 -11.147 1.00 0.00 N ATOM 1348 CA LYS A 110 -0.307 -3.997 -12.510 1.00 0.00 C ATOM 1349 C LYS A 110 0.627 -2.795 -12.607 1.00 0.00 C ATOM 1350 O LYS A 110 1.325 -2.657 -13.611 1.00 0.00 O ATOM 1351 CB LYS A 110 -1.508 -3.858 -13.446 1.00 0.00 C ATOM 1352 CG LYS A 110 -2.210 -5.216 -13.561 1.00 0.00 C ATOM 1353 CD LYS A 110 -3.454 -5.125 -14.443 1.00 0.00 C ATOM 1354 CE LYS A 110 -4.154 -6.482 -14.541 1.00 0.00 C ATOM 1355 NZ LYS A 110 -3.282 -7.529 -15.117 1.00 0.00 N ATOM 0 H LYS A 110 -1.769 -4.003 -11.011 1.00 0.00 H new ATOM 0 HA LYS A 110 0.288 -4.857 -12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.200 -3.108 -13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.182 -3.518 -14.429 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.520 -5.950 -13.976 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.490 -5.568 -12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.142 -4.385 -14.033 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.174 -4.783 -15.439 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.480 -6.791 -13.548 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.050 -6.382 -15.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.856 -8.360 -15.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.816 -7.161 -15.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.561 -7.803 -14.419 1.00 0.00 H new ATOM 1369 N ASN A 111 0.700 -1.964 -11.571 1.00 0.00 N ATOM 1370 CA ASN A 111 1.642 -0.862 -11.422 1.00 0.00 C ATOM 1371 C ASN A 111 2.945 -1.298 -10.762 1.00 0.00 C ATOM 1372 O ASN A 111 3.752 -0.475 -10.338 1.00 0.00 O ATOM 1373 CB ASN A 111 0.972 0.282 -10.639 1.00 0.00 C ATOM 1374 CG ASN A 111 1.547 1.651 -10.944 1.00 0.00 C ATOM 1375 OD1 ASN A 111 2.571 1.814 -11.596 1.00 0.00 O ATOM 1376 ND2 ASN A 111 0.828 2.691 -10.554 1.00 0.00 N ATOM 0 H ASN A 111 0.071 -2.047 -10.772 1.00 0.00 H new ATOM 0 HA ASN A 111 1.911 -0.507 -12.417 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.095 0.288 -10.864 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.071 0.086 -9.571 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.125 3.636 -10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.024 2.548 -10.011 1.00 0.00 H new ATOM 1383 N THR A 112 3.160 -2.604 -10.671 1.00 0.00 N ATOM 1384 CA THR A 112 4.439 -3.168 -10.279 1.00 0.00 C ATOM 1385 C THR A 112 5.358 -3.080 -11.503 1.00 0.00 C ATOM 1386 O THR A 112 5.045 -3.693 -12.527 1.00 0.00 O ATOM 1387 CB THR A 112 4.310 -4.608 -9.777 1.00 0.00 C ATOM 1388 OG1 THR A 112 3.304 -4.688 -8.799 1.00 0.00 O ATOM 1389 CG2 THR A 112 5.628 -5.065 -9.141 1.00 0.00 C ATOM 0 H THR A 112 2.445 -3.304 -10.869 1.00 0.00 H new ATOM 0 HA THR A 112 4.853 -2.608 -9.441 1.00 0.00 H new ATOM 0 HB THR A 112 4.062 -5.244 -10.627 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.467 -4.983 -9.214 1.00 0.00 H new ATOM 0 HG21 THR A 112 5.525 -6.091 -8.787 1.00 0.00 H new ATOM 0 HG22 THR A 112 6.426 -5.015 -9.882 1.00 0.00 H new ATOM 0 HG23 THR A 112 5.872 -4.414 -8.301 1.00 0.00 H new ATOM 1397 N PRO A 113 6.495 -2.370 -11.439 1.00 0.00 N ATOM 1398 CA PRO A 113 7.475 -2.328 -12.518 1.00 0.00 C ATOM 1399 C PRO A 113 8.378 -3.571 -12.434 1.00 0.00 C ATOM 1400 O PRO A 113 9.604 -3.443 -12.386 1.00 0.00 O ATOM 1401 CB PRO A 113 8.210 -1.005 -12.277 1.00 0.00 C ATOM 1402 CG PRO A 113 8.242 -0.891 -10.757 1.00 0.00 C ATOM 1403 CD PRO A 113 6.906 -1.502 -10.344 1.00 0.00 C ATOM 0 HA PRO A 113 7.058 -2.356 -13.525 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.214 -1.020 -12.700 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.685 -0.165 -12.732 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.085 -1.434 -10.328 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.331 0.145 -10.431 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.007 -2.067 -9.417 1.00 0.00 H new ATOM 0 HD3 PRO A 113 6.163 -0.725 -10.164 1.00 0.00 H new ATOM 1411 N SER A 114 7.791 -4.768 -12.322 1.00 0.00 N ATOM 1412 CA SER A 114 8.478 -6.022 -11.999 1.00 0.00 C ATOM 1413 C SER A 114 9.413 -5.889 -10.782 1.00 0.00 C ATOM 1414 O SER A 114 10.414 -6.597 -10.684 1.00 0.00 O ATOM 1415 CB SER A 114 9.204 -6.568 -13.232 1.00 0.00 C ATOM 1416 OG SER A 114 8.316 -6.763 -14.316 1.00 0.00 O ATOM 0 H SER A 114 6.788 -4.894 -12.459 1.00 0.00 H new ATOM 0 HA SER A 114 7.719 -6.748 -11.707 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.992 -5.876 -13.527 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.687 -7.513 -12.982 1.00 0.00 H new ATOM 0 HG SER A 114 8.812 -7.110 -15.087 1.00 0.00 H new ATOM 1422 N ALA A 115 9.103 -4.961 -9.863 1.00 0.00 N ATOM 1423 CA ALA A 115 9.890 -4.625 -8.681 1.00 0.00 C ATOM 1424 C ALA A 115 11.362 -4.285 -8.980 1.00 0.00 C ATOM 1425 O ALA A 115 12.194 -4.337 -8.071 1.00 0.00 O ATOM 1426 CB ALA A 115 9.713 -5.732 -7.638 1.00 0.00 C ATOM 0 H ALA A 115 8.254 -4.401 -9.934 1.00 0.00 H new ATOM 0 HA ALA A 115 9.506 -3.691 -8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 115 10.297 -5.492 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 115 8.660 -5.813 -7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.056 -6.680 -8.052 1.00 0.00 H new ATOM 1432 N ALA A 116 11.675 -3.869 -10.216 1.00 0.00 N ATOM 1433 CA ALA A 116 13.034 -3.706 -10.730 1.00 0.00 C ATOM 1434 C ALA A 116 13.924 -2.806 -9.859 1.00 0.00 C ATOM 1435 O ALA A 116 15.150 -2.940 -9.873 1.00 0.00 O ATOM 1436 CB ALA A 116 12.965 -3.194 -12.171 1.00 0.00 C ATOM 0 H ALA A 116 10.962 -3.630 -10.905 1.00 0.00 H new ATOM 0 HA ALA A 116 13.513 -4.685 -10.702 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.975 -3.070 -12.562 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.423 -3.912 -12.787 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.447 -2.235 -12.192 1.00 0.00 H new ATOM 1442 N ASN A 117 13.328 -1.873 -9.113 1.00 0.00 N ATOM 1443 CA ASN A 117 14.002 -1.115 -8.065 1.00 0.00 C ATOM 1444 C ASN A 117 12.980 -0.735 -6.995 1.00 0.00 C ATOM 1445 O ASN A 117 12.771 0.437 -6.679 1.00 0.00 O ATOM 1446 CB ASN A 117 14.841 0.045 -8.612 1.00 0.00 C ATOM 1447 CG ASN A 117 16.029 0.313 -7.693 1.00 0.00 C ATOM 1448 OD1 ASN A 117 16.161 -0.257 -6.606 1.00 0.00 O ATOM 1449 ND2 ASN A 117 16.927 1.181 -8.118 1.00 0.00 N ATOM 0 H ASN A 117 12.346 -1.621 -9.225 1.00 0.00 H new ATOM 0 HA ASN A 117 14.753 -1.740 -7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 117 15.194 -0.193 -9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.226 0.941 -8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 117 17.745 1.390 -7.546 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.803 1.643 -9.019 1.00 0.00 H new ATOM 1456 N ILE A 118 12.284 -1.749 -6.470 1.00 0.00 N ATOM 1457 CA ILE A 118 11.277 -1.594 -5.419 1.00 0.00 C ATOM 1458 C ILE A 118 11.880 -0.971 -4.176 1.00 0.00 C ATOM 1459 O ILE A 118 11.316 -0.035 -3.626 1.00 0.00 O ATOM 1460 CB ILE A 118 10.612 -2.950 -5.128 1.00 0.00 C ATOM 1461 CG1 ILE A 118 9.312 -2.748 -4.322 1.00 0.00 C ATOM 1462 CG2 ILE A 118 11.537 -4.005 -4.501 1.00 0.00 C ATOM 1463 CD1 ILE A 118 8.520 -4.038 -4.076 1.00 0.00 C ATOM 0 H ILE A 118 12.408 -2.716 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 118 10.502 -0.910 -5.765 1.00 0.00 H new ATOM 0 HB ILE A 118 10.361 -3.377 -6.099 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.560 -2.298 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.675 -2.039 -4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.978 -4.926 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 118 12.371 -4.204 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.919 -3.634 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.621 -3.809 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.239 -4.480 -5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.136 -4.743 -3.518 1.00 0.00 H new ATOM 1475 N SER A 119 13.057 -1.456 -3.807 1.00 0.00 N ATOM 1476 CA SER A 119 13.871 -0.934 -2.716 1.00 0.00 C ATOM 1477 C SER A 119 13.994 0.586 -2.818 1.00 0.00 C ATOM 1478 O SER A 119 13.740 1.317 -1.863 1.00 0.00 O ATOM 1479 CB SER A 119 15.240 -1.625 -2.759 1.00 0.00 C ATOM 1480 OG SER A 119 16.073 -1.264 -1.675 1.00 0.00 O ATOM 0 H SER A 119 13.488 -2.253 -4.276 1.00 0.00 H new ATOM 0 HA SER A 119 13.399 -1.146 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 119 15.096 -2.705 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.740 -1.373 -3.694 1.00 0.00 H new ATOM 0 HG SER A 119 16.930 -1.733 -1.751 1.00 0.00 H new ATOM 1486 N ALA A 120 14.331 1.059 -4.012 1.00 0.00 N ATOM 1487 CA ALA A 120 14.556 2.468 -4.281 1.00 0.00 C ATOM 1488 C ALA A 120 13.252 3.265 -4.205 1.00 0.00 C ATOM 1489 O ALA A 120 13.270 4.420 -3.779 1.00 0.00 O ATOM 1490 CB ALA A 120 15.207 2.595 -5.653 1.00 0.00 C ATOM 0 H ALA A 120 14.457 0.463 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 120 15.218 2.886 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.385 3.647 -5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.155 2.058 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.547 2.171 -6.410 1.00 0.00 H new ATOM 1496 N TYR A 121 12.119 2.664 -4.584 1.00 0.00 N ATOM 1497 CA TYR A 121 10.815 3.270 -4.400 1.00 0.00 C ATOM 1498 C TYR A 121 10.431 3.301 -2.918 1.00 0.00 C ATOM 1499 O TYR A 121 9.921 4.320 -2.466 1.00 0.00 O ATOM 1500 CB TYR A 121 9.764 2.543 -5.246 1.00 0.00 C ATOM 1501 CG TYR A 121 9.840 2.803 -6.742 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.775 4.121 -7.239 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.959 1.731 -7.648 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.785 4.368 -8.622 1.00 0.00 C ATOM 1505 CE2 TYR A 121 10.009 1.976 -9.033 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.891 3.292 -9.528 1.00 0.00 C ATOM 1507 OH TYR A 121 9.913 3.515 -10.868 1.00 0.00 O ATOM 0 H TYR A 121 12.090 1.745 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 121 10.859 4.304 -4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.862 1.471 -5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.774 2.833 -4.893 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.717 4.950 -6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.012 0.718 -7.279 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.712 5.380 -8.991 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.138 1.153 -9.720 1.00 0.00 H new ATOM 0 HH TYR A 121 9.991 2.660 -11.341 1.00 0.00 H new ATOM 1517 N ALA A 122 10.693 2.245 -2.144 1.00 0.00 N ATOM 1518 CA ALA A 122 10.460 2.235 -0.700 1.00 0.00 C ATOM 1519 C ALA A 122 11.298 3.316 -0.014 1.00 0.00 C ATOM 1520 O ALA A 122 10.788 4.023 0.855 1.00 0.00 O ATOM 1521 CB ALA A 122 10.750 0.845 -0.122 1.00 0.00 C ATOM 0 H ALA A 122 11.074 1.370 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 122 9.411 2.461 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.572 0.854 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.095 0.112 -0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.789 0.580 -0.316 1.00 0.00 H new ATOM 1527 N ASP A 123 12.550 3.495 -0.447 1.00 0.00 N ATOM 1528 CA ASP A 123 13.413 4.582 0.007 1.00 0.00 C ATOM 1529 C ASP A 123 12.752 5.924 -0.283 1.00 0.00 C ATOM 1530 O ASP A 123 12.814 6.813 0.560 1.00 0.00 O ATOM 1531 CB ASP A 123 14.792 4.577 -0.674 1.00 0.00 C ATOM 1532 CG ASP A 123 15.716 3.435 -0.278 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.704 3.011 0.899 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.516 3.008 -1.141 1.00 0.00 O ATOM 0 H ASP A 123 12.994 2.881 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 123 13.558 4.431 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.644 4.544 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.292 5.519 -0.450 1.00 0.00 H new ATOM 1539 N ILE A 124 12.129 6.093 -1.454 1.00 0.00 N ATOM 1540 CA ILE A 124 11.410 7.309 -1.826 1.00 0.00 C ATOM 1541 C ILE A 124 10.207 7.515 -0.895 1.00 0.00 C ATOM 1542 O ILE A 124 10.044 8.628 -0.395 1.00 0.00 O ATOM 1543 CB ILE A 124 11.054 7.288 -3.336 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.329 7.546 -4.171 1.00 0.00 C ATOM 1545 CG2 ILE A 124 9.962 8.307 -3.704 1.00 0.00 C ATOM 1546 CD1 ILE A 124 12.202 7.083 -5.626 1.00 0.00 C ATOM 0 H ILE A 124 12.112 5.376 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 124 12.049 8.182 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 124 10.651 6.301 -3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.557 8.612 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 124 13.170 7.033 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 124 9.754 8.248 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.053 8.085 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 124 10.304 9.312 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 124 13.131 7.293 -6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 124 12.004 6.011 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 124 11.381 7.615 -6.107 1.00 0.00 H new ATOM 1558 N VAL A 125 9.380 6.495 -0.628 1.00 0.00 N ATOM 1559 CA VAL A 125 8.243 6.637 0.287 1.00 0.00 C ATOM 1560 C VAL A 125 8.745 7.091 1.661 1.00 0.00 C ATOM 1561 O VAL A 125 8.210 8.055 2.221 1.00 0.00 O ATOM 1562 CB VAL A 125 7.403 5.343 0.402 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.135 5.611 1.232 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.986 4.779 -0.964 1.00 0.00 C ATOM 0 H VAL A 125 9.478 5.564 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 125 7.577 7.394 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 125 8.038 4.604 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.549 4.695 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.417 5.945 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.539 6.383 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.399 3.872 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.386 5.518 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.876 4.546 -1.549 1.00 0.00 H new ATOM 1574 N ARG A 126 9.783 6.428 2.188 1.00 0.00 N ATOM 1575 CA ARG A 126 10.379 6.806 3.464 1.00 0.00 C ATOM 1576 C ARG A 126 10.949 8.215 3.395 1.00 0.00 C ATOM 1577 O ARG A 126 10.780 8.967 4.347 1.00 0.00 O ATOM 1578 CB ARG A 126 11.440 5.779 3.893 1.00 0.00 C ATOM 1579 CG ARG A 126 12.107 6.107 5.240 1.00 0.00 C ATOM 1580 CD ARG A 126 11.113 6.379 6.379 1.00 0.00 C ATOM 1581 NE ARG A 126 11.799 6.467 7.674 1.00 0.00 N ATOM 1582 CZ ARG A 126 11.244 6.187 8.861 1.00 0.00 C ATOM 1583 NH1 ARG A 126 9.954 5.889 8.977 1.00 0.00 N ATOM 1584 NH2 ARG A 126 12.009 6.209 9.945 1.00 0.00 N ATOM 0 H ARG A 126 10.225 5.624 1.743 1.00 0.00 H new ATOM 0 HA ARG A 126 9.600 6.807 4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.976 4.795 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.208 5.719 3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.753 5.277 5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.747 6.980 5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.578 7.309 6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.368 5.584 6.413 1.00 0.00 H new ATOM 0 HE ARG A 126 12.775 6.765 7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.359 5.869 8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.559 5.680 9.894 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.000 6.436 9.865 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.606 5.999 10.858 1.00 0.00 H new ATOM 1598 N GLU A 127 11.572 8.614 2.288 1.00 0.00 N ATOM 1599 CA GLU A 127 12.094 9.962 2.117 1.00 0.00 C ATOM 1600 C GLU A 127 10.970 10.961 2.340 1.00 0.00 C ATOM 1601 O GLU A 127 11.093 11.876 3.153 1.00 0.00 O ATOM 1602 CB GLU A 127 12.687 10.151 0.707 1.00 0.00 C ATOM 1603 CG GLU A 127 13.662 11.326 0.643 1.00 0.00 C ATOM 1604 CD GLU A 127 14.961 10.962 1.355 1.00 0.00 C ATOM 1605 OE1 GLU A 127 15.678 10.063 0.856 1.00 0.00 O ATOM 1606 OE2 GLU A 127 15.252 11.553 2.415 1.00 0.00 O ATOM 0 H GLU A 127 11.728 8.007 1.483 1.00 0.00 H new ATOM 0 HA GLU A 127 12.890 10.125 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.201 9.238 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.879 10.312 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 127 13.867 11.584 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 127 13.216 12.205 1.108 1.00 0.00 H new ATOM 1613 N ARG A 128 9.846 10.774 1.643 1.00 0.00 N ATOM 1614 CA ARG A 128 8.741 11.711 1.776 1.00 0.00 C ATOM 1615 C ARG A 128 8.158 11.646 3.180 1.00 0.00 C ATOM 1616 O ARG A 128 7.658 12.669 3.644 1.00 0.00 O ATOM 1617 CB ARG A 128 7.651 11.491 0.723 1.00 0.00 C ATOM 1618 CG ARG A 128 8.127 11.365 -0.729 1.00 0.00 C ATOM 1619 CD ARG A 128 9.314 12.226 -1.166 1.00 0.00 C ATOM 1620 NE ARG A 128 9.501 12.143 -2.629 1.00 0.00 N ATOM 1621 CZ ARG A 128 10.651 11.959 -3.291 1.00 0.00 C ATOM 1622 NH1 ARG A 128 11.806 11.865 -2.642 1.00 0.00 N ATOM 1623 NH2 ARG A 128 10.642 11.862 -4.614 1.00 0.00 N ATOM 0 H ARG A 128 9.684 10.001 0.998 1.00 0.00 H new ATOM 0 HA ARG A 128 9.144 12.709 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.101 10.586 0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.946 12.320 0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.386 10.321 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.285 11.600 -1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 128 9.147 13.262 -0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 128 10.219 11.893 -0.658 1.00 0.00 H new ATOM 0 HE ARG A 128 8.660 12.236 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.826 11.933 -1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.673 11.725 -3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.761 11.928 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.516 11.722 -5.121 1.00 0.00 H new ATOM 1637 N ALA A 129 8.219 10.503 3.868 1.00 0.00 N ATOM 1638 CA ALA A 129 7.790 10.394 5.252 1.00 0.00 C ATOM 1639 C ALA A 129 8.705 11.215 6.164 1.00 0.00 C ATOM 1640 O ALA A 129 8.180 11.965 6.983 1.00 0.00 O ATOM 1641 CB ALA A 129 7.704 8.936 5.700 1.00 0.00 C ATOM 0 H ALA A 129 8.569 9.629 3.474 1.00 0.00 H new ATOM 0 HA ALA A 129 6.784 10.806 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.380 8.893 6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.987 8.405 5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.684 8.468 5.606 1.00 0.00 H new ATOM 1647 N VAL A 130 10.032 11.148 6.018 1.00 0.00 N ATOM 1648 CA VAL A 130 10.952 11.974 6.804 1.00 0.00 C ATOM 1649 C VAL A 130 10.721 13.452 6.478 1.00 0.00 C ATOM 1650 O VAL A 130 10.646 14.289 7.372 1.00 0.00 O ATOM 1651 CB VAL A 130 12.413 11.536 6.572 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.398 12.414 7.353 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.637 10.086 7.026 1.00 0.00 C ATOM 0 H VAL A 130 10.495 10.525 5.357 1.00 0.00 H new ATOM 0 HA VAL A 130 10.753 11.835 7.867 1.00 0.00 H new ATOM 0 HB VAL A 130 12.591 11.634 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.417 12.075 7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.295 13.450 7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 130 13.183 12.342 8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.676 9.806 6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 130 12.413 9.999 8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.982 9.423 6.462 1.00 0.00 H new ATOM 1663 N VAL A 131 10.485 13.793 5.213 1.00 0.00 N ATOM 1664 CA VAL A 131 10.180 15.166 4.825 1.00 0.00 C ATOM 1665 C VAL A 131 8.857 15.595 5.487 1.00 0.00 C ATOM 1666 O VAL A 131 8.691 16.769 5.826 1.00 0.00 O ATOM 1667 CB VAL A 131 10.137 15.227 3.280 1.00 0.00 C ATOM 1668 CG1 VAL A 131 9.562 16.529 2.713 1.00 0.00 C ATOM 1669 CG2 VAL A 131 11.527 15.019 2.658 1.00 0.00 C ATOM 0 H VAL A 131 10.500 13.132 4.436 1.00 0.00 H new ATOM 0 HA VAL A 131 10.942 15.867 5.166 1.00 0.00 H new ATOM 0 HB VAL A 131 9.465 14.412 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.569 16.486 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.538 16.658 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 131 10.169 17.371 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 131 11.451 15.069 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 131 12.204 15.797 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 131 11.914 14.042 2.950 1.00 0.00 H new ATOM 1679 N ARG A 132 7.905 14.669 5.664 1.00 0.00 N ATOM 1680 CA ARG A 132 6.641 14.906 6.355 1.00 0.00 C ATOM 1681 C ARG A 132 6.877 15.177 7.840 1.00 0.00 C ATOM 1682 O ARG A 132 6.169 16.004 8.414 1.00 0.00 O ATOM 1683 CB ARG A 132 5.684 13.714 6.125 1.00 0.00 C ATOM 1684 CG ARG A 132 4.270 14.150 5.727 1.00 0.00 C ATOM 1685 CD ARG A 132 4.346 14.798 4.325 1.00 0.00 C ATOM 1686 NE ARG A 132 3.632 14.085 3.251 1.00 0.00 N ATOM 1687 CZ ARG A 132 3.919 12.943 2.611 1.00 0.00 C ATOM 1688 NH1 ARG A 132 4.881 12.129 3.028 1.00 0.00 N ATOM 1689 NH2 ARG A 132 3.213 12.653 1.526 1.00 0.00 N ATOM 0 H ARG A 132 8.000 13.713 5.321 1.00 0.00 H new ATOM 0 HA ARG A 132 6.168 15.797 5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 132 6.093 13.072 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.631 13.116 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 132 3.596 13.293 5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 132 3.871 14.858 6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 132 3.947 15.810 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 132 5.395 14.886 4.042 1.00 0.00 H new ATOM 0 HE ARG A 132 2.772 14.538 2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 132 5.426 12.366 3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 132 5.076 11.267 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 132 2.483 13.290 1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 132 3.401 11.793 1.010 1.00 0.00 H new ATOM 1703 N GLU A 133 7.849 14.495 8.449 1.00 0.00 N ATOM 1704 CA GLU A 133 8.225 14.705 9.848 1.00 0.00 C ATOM 1705 C GLU A 133 8.779 16.120 10.009 1.00 0.00 C ATOM 1706 O GLU A 133 8.439 16.820 10.964 1.00 0.00 O ATOM 1707 CB GLU A 133 9.167 13.599 10.388 1.00 0.00 C ATOM 1708 CG GLU A 133 10.639 13.978 10.652 1.00 0.00 C ATOM 1709 CD GLU A 133 11.483 12.844 11.247 1.00 0.00 C ATOM 1710 OE1 GLU A 133 11.369 11.675 10.812 1.00 0.00 O ATOM 1711 OE2 GLU A 133 12.296 13.133 12.159 1.00 0.00 O ATOM 0 H GLU A 133 8.401 13.776 7.981 1.00 0.00 H new ATOM 0 HA GLU A 133 7.336 14.619 10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.745 13.224 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 133 9.156 12.772 9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.093 14.301 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.667 14.831 11.330 1.00 0.00 H new ATOM 1718 N MET A 134 9.575 16.566 9.036 1.00 0.00 N ATOM 1719 CA MET A 134 10.169 17.892 8.967 1.00 0.00 C ATOM 1720 C MET A 134 9.151 18.956 8.526 1.00 0.00 C ATOM 1721 O MET A 134 9.484 19.857 7.748 1.00 0.00 O ATOM 1722 CB MET A 134 11.406 17.842 8.056 1.00 0.00 C ATOM 1723 CG MET A 134 12.501 16.943 8.634 1.00 0.00 C ATOM 1724 SD MET A 134 14.065 17.069 7.739 1.00 0.00 S ATOM 1725 CE MET A 134 15.164 17.410 9.132 1.00 0.00 C ATOM 0 H MET A 134 9.832 15.982 8.240 1.00 0.00 H new ATOM 0 HA MET A 134 10.488 18.194 9.965 1.00 0.00 H new ATOM 0 HB2 MET A 134 11.117 17.476 7.071 1.00 0.00 H new ATOM 0 HB3 MET A 134 11.798 18.850 7.919 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.665 17.206 9.679 1.00 0.00 H new ATOM 0 HG3 MET A 134 12.161 15.908 8.615 1.00 0.00 H new ATOM 0 HE1 MET A 134 16.186 17.520 8.770 1.00 0.00 H new ATOM 0 HE2 MET A 134 14.852 18.331 9.625 1.00 0.00 H new ATOM 0 HE3 MET A 134 15.118 16.585 9.843 1.00 0.00 H new ATOM 1735 N ILE A 135 7.908 18.878 9.001 1.00 0.00 N ATOM 1736 CA ILE A 135 6.893 19.915 8.866 1.00 0.00 C ATOM 1737 C ILE A 135 6.704 20.527 10.255 1.00 0.00 C ATOM 1738 O ILE A 135 6.633 19.802 11.253 1.00 0.00 O ATOM 1739 CB ILE A 135 5.602 19.339 8.239 1.00 0.00 C ATOM 1740 CG1 ILE A 135 5.904 18.853 6.801 1.00 0.00 C ATOM 1741 CG2 ILE A 135 4.465 20.378 8.222 1.00 0.00 C ATOM 1742 CD1 ILE A 135 4.728 18.217 6.053 1.00 0.00 C ATOM 0 H ILE A 135 7.571 18.060 9.508 1.00 0.00 H new ATOM 0 HA ILE A 135 7.195 20.705 8.178 1.00 0.00 H new ATOM 0 HB ILE A 135 5.268 18.501 8.851 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.265 19.701 6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 135 6.717 18.128 6.846 1.00 0.00 H new ATOM 0 HG21 ILE A 135 3.575 19.936 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 135 4.241 20.689 9.242 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.773 21.245 7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.051 17.913 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 135 4.377 17.344 6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.918 18.941 5.966 1.00 0.00 H new ATOM 1754 N SER A 136 6.592 21.860 10.294 1.00 0.00 N ATOM 1755 CA SER A 136 6.605 22.663 11.511 1.00 0.00 C ATOM 1756 C SER A 136 7.836 22.272 12.323 1.00 0.00 C ATOM 1757 O SER A 136 8.947 22.281 11.743 1.00 0.00 O ATOM 1758 CB SER A 136 5.254 22.483 12.217 1.00 0.00 C ATOM 1759 OG SER A 136 5.006 23.476 13.192 1.00 0.00 O ATOM 1760 OXT SER A 136 7.719 21.923 13.513 1.00 0.00 O ATOM 0 H SER A 136 6.487 22.422 9.450 1.00 0.00 H new ATOM 0 HA SER A 136 6.700 23.733 11.329 1.00 0.00 H new ATOM 0 HB2 SER A 136 4.456 22.503 11.474 1.00 0.00 H new ATOM 0 HB3 SER A 136 5.225 21.501 12.690 1.00 0.00 H new ATOM 0 HG SER A 136 4.134 23.315 13.609 1.00 0.00 H new TER 1766 SER A 136