USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 976 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 112 GLN :FLIP amide:sc= -0.161 F(o=-2.4,f=-1.7) USER MOD Set 1.2: A 120 TYR OH : rot 0:sc= -1.53 USER MOD Set 2.1: A 90 GLN : amide:sc= -2.67 K(o=-10,f=-19!) USER MOD Set 2.2: A 95 HIS :FLIP no HD1:sc= -7.75! C(o=-12!,f=-10!) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.94 K(o=-1.9,f=-3.6) USER MOD Single : A 9 GLN :FLIP amide:sc= -6.71! C(o=-9.7!,f=-6.7!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.027 X(o=-0.027,f=-0.25) USER MOD Single : A 15 SER OG : rot 105:sc= 0.918 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0.0514 (180deg=0.0514) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0722 F(o=-2,f=-0.072) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 75:sc= -0.857 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -3.12! C(o=-6.6!,f=-3.1!) USER MOD Single : A 38 TYR OH : rot 55:sc= 1.18 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -131:sc= -11.5! (180deg=-16.1!) USER MOD Single : A 43 THR OG1 : rot -60:sc= -1.53! USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= -0.0309 (180deg=-0.303) USER MOD Single : A 45 MET CE :methyl -159:sc= -21.3! (180deg=-22.2!) USER MOD Single : A 46 TYR OH : rot -87:sc= 1.37 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.133 (180deg=-0.709) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0459 USER MOD Single : A 63 THR OG1 : rot -90:sc= -9.81! USER MOD Single : A 66 MET CE :methyl -170:sc= -0.0546 (180deg=-0.311) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -120:sc= -1.94 USER MOD Single : A 74 HIS : no HE2:sc= -4.81 K(o=-4.8,f=-6!) USER MOD Single : A 76 SER OG : rot 175:sc= 1.37 USER MOD Single : A 77 HIS : no HD1:sc= -2.16 X(o=-2.2,f=-2.5) USER MOD Single : A 78 ASN : amide:sc= -0.572 K(o=-0.57,f=-4.6!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 100:sc= -1.52! USER MOD Single : A 98 THR OG1 : rot 13:sc= 0.825! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.00958 USER MOD Single : A 117 THR OG1 : rot 52:sc= 0.374! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -113:sc= -12.1! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -8.856 14.285 3.613 1.00 0.00 N ATOM 2 CA CYS A 1 -8.227 12.951 3.425 1.00 0.00 C ATOM 3 C CYS A 1 -7.185 12.995 2.316 1.00 0.00 C ATOM 4 O CYS A 1 -6.030 12.632 2.525 1.00 0.00 O ATOM 5 CB CYS A 1 -9.325 11.942 3.090 1.00 0.00 C ATOM 6 SG CYS A 1 -9.656 10.742 4.422 1.00 0.00 S ATOM 0 H1 CYS A 1 -9.563 14.231 4.374 1.00 0.00 H new ATOM 0 H2 CYS A 1 -8.126 14.980 3.867 1.00 0.00 H new ATOM 0 H3 CYS A 1 -9.320 14.578 2.729 1.00 0.00 H new ATOM 0 HA CYS A 1 -7.717 12.654 4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -10.244 12.482 2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -9.044 11.400 2.187 1.00 0.00 H new ATOM 13 N THR A 2 -7.598 13.448 1.140 1.00 0.00 N ATOM 14 CA THR A 2 -6.691 13.547 0.006 1.00 0.00 C ATOM 15 C THR A 2 -5.575 14.543 0.310 1.00 0.00 C ATOM 16 O THR A 2 -5.718 15.742 0.074 1.00 0.00 O ATOM 17 CB THR A 2 -7.454 13.965 -1.254 1.00 0.00 C ATOM 18 OG1 THR A 2 -6.567 14.143 -2.345 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.241 15.248 -1.083 1.00 0.00 C ATOM 0 H THR A 2 -8.552 13.752 0.947 1.00 0.00 H new ATOM 0 HA THR A 2 -6.245 12.568 -0.171 1.00 0.00 H new ATOM 0 HB THR A 2 -8.156 13.153 -1.447 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.075 14.408 -3.140 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.757 15.485 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.972 15.123 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.561 16.061 -0.828 1.00 0.00 H new ATOM 27 N CYS A 3 -4.467 14.036 0.843 1.00 0.00 N ATOM 28 CA CYS A 3 -3.338 14.893 1.192 1.00 0.00 C ATOM 29 C CYS A 3 -2.118 14.581 0.333 1.00 0.00 C ATOM 30 O CYS A 3 -2.194 13.788 -0.604 1.00 0.00 O ATOM 31 CB CYS A 3 -3.021 14.765 2.690 1.00 0.00 C ATOM 32 SG CYS A 3 -1.599 13.717 3.133 1.00 0.00 S ATOM 0 H CYS A 3 -4.327 13.045 1.041 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.614 15.928 0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.845 15.764 3.088 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.904 14.372 3.193 1.00 0.00 H new ATOM 37 N VAL A 4 -0.997 15.221 0.650 1.00 0.00 N ATOM 38 CA VAL A 4 0.226 15.015 -0.109 1.00 0.00 C ATOM 39 C VAL A 4 1.179 14.050 0.604 1.00 0.00 C ATOM 40 O VAL A 4 1.040 13.794 1.800 1.00 0.00 O ATOM 41 CB VAL A 4 0.942 16.354 -0.397 1.00 0.00 C ATOM 42 CG1 VAL A 4 -0.052 17.392 -0.894 1.00 0.00 C ATOM 43 CG2 VAL A 4 1.679 16.860 0.834 1.00 0.00 C ATOM 0 H VAL A 4 -0.912 15.882 1.422 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.064 14.566 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 4 1.681 16.180 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.469 18.329 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.521 17.037 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.817 17.556 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.173 17.803 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.968 17.014 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.425 16.126 1.139 1.00 0.00 H new ATOM 53 N PRO A 5 2.153 13.490 -0.139 1.00 0.00 N ATOM 54 CA PRO A 5 3.128 12.534 0.397 1.00 0.00 C ATOM 55 C PRO A 5 3.615 12.858 1.817 1.00 0.00 C ATOM 56 O PRO A 5 4.353 13.821 2.028 1.00 0.00 O ATOM 57 CB PRO A 5 4.274 12.645 -0.604 1.00 0.00 C ATOM 58 CG PRO A 5 3.600 12.918 -1.904 1.00 0.00 C ATOM 59 CD PRO A 5 2.371 13.730 -1.581 1.00 0.00 C ATOM 0 HA PRO A 5 2.698 11.538 0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.961 13.448 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.858 11.726 -0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.261 13.464 -2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.331 11.988 -2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.525 14.788 -1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.514 13.410 -2.173 1.00 0.00 H new ATOM 67 N PRO A 6 3.223 12.023 2.803 1.00 0.00 N ATOM 68 CA PRO A 6 3.619 12.163 4.206 1.00 0.00 C ATOM 69 C PRO A 6 4.824 11.305 4.507 1.00 0.00 C ATOM 70 O PRO A 6 4.975 10.223 3.939 1.00 0.00 O ATOM 71 CB PRO A 6 2.406 11.600 4.935 1.00 0.00 C ATOM 72 CG PRO A 6 1.852 10.554 4.017 1.00 0.00 C ATOM 73 CD PRO A 6 2.372 10.838 2.626 1.00 0.00 C ATOM 0 HA PRO A 6 3.884 13.183 4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.688 11.172 5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.670 12.378 5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.157 9.559 4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.762 10.574 4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.938 9.995 2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.558 11.031 1.927 1.00 0.00 H new ATOM 81 N HIS A 7 5.719 11.817 5.359 1.00 0.00 N ATOM 82 CA HIS A 7 6.961 11.144 5.703 1.00 0.00 C ATOM 83 C HIS A 7 6.872 9.631 5.541 1.00 0.00 C ATOM 84 O HIS A 7 6.077 8.956 6.191 1.00 0.00 O ATOM 85 CB HIS A 7 7.312 11.503 7.151 1.00 0.00 C ATOM 86 CG HIS A 7 7.449 12.976 7.399 1.00 0.00 C ATOM 87 ND1 HIS A 7 7.897 13.866 6.447 1.00 0.00 N ATOM 88 CD2 HIS A 7 7.179 13.714 8.503 1.00 0.00 C ATOM 89 CE1 HIS A 7 7.898 15.088 6.955 1.00 0.00 C ATOM 90 NE2 HIS A 7 7.466 15.023 8.200 1.00 0.00 N ATOM 0 H HIS A 7 5.595 12.714 5.828 1.00 0.00 H new ATOM 0 HA HIS A 7 7.739 11.480 5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 7 6.541 11.104 7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.247 11.011 7.420 1.00 0.00 H new ATOM 0 HD1 HIS A 7 8.183 13.621 5.499 1.00 0.00 H new ATOM 0 HD2 HIS A 7 6.807 13.342 9.446 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.201 15.986 6.438 1.00 0.00 H new ATOM 99 N PRO A 8 7.697 9.106 4.615 1.00 0.00 N ATOM 100 CA PRO A 8 7.749 7.684 4.274 1.00 0.00 C ATOM 101 C PRO A 8 8.341 6.821 5.355 1.00 0.00 C ATOM 102 O PRO A 8 7.878 5.708 5.590 1.00 0.00 O ATOM 103 CB PRO A 8 8.629 7.641 3.036 1.00 0.00 C ATOM 104 CG PRO A 8 9.485 8.846 3.146 1.00 0.00 C ATOM 105 CD PRO A 8 8.634 9.891 3.806 1.00 0.00 C ATOM 0 HA PRO A 8 6.744 7.287 4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.228 6.731 3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.032 7.660 2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.378 8.639 3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.821 9.178 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.230 10.564 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.113 10.507 3.073 1.00 0.00 H new ATOM 113 N GLN A 9 9.333 7.340 6.042 1.00 0.00 N ATOM 114 CA GLN A 9 9.929 6.609 7.129 1.00 0.00 C ATOM 115 C GLN A 9 8.941 6.615 8.274 1.00 0.00 C ATOM 116 O GLN A 9 9.014 5.797 9.173 1.00 0.00 O ATOM 117 CB GLN A 9 11.257 7.227 7.568 1.00 0.00 C ATOM 118 CG GLN A 9 12.437 6.863 6.690 1.00 0.00 C ATOM 119 CD GLN A 9 13.688 6.524 7.474 1.00 0.00 C ATOM 120 OE1 GLN A 9 13.754 5.303 7.976 1.00 0.00 O flip ATOM 121 NE2 GLN A 9 14.587 7.353 7.623 1.00 0.00 N flip ATOM 0 H GLN A 9 9.740 8.259 5.867 1.00 0.00 H new ATOM 0 HA GLN A 9 10.150 5.591 6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.152 8.312 7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.470 6.913 8.590 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.167 6.012 6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.652 7.695 6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.494 8.284 7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 9 15.424 7.108 8.151 1.00 0.00 H new ATOM 130 N THR A 10 7.933 7.476 8.168 1.00 0.00 N ATOM 131 CA THR A 10 6.855 7.514 9.120 1.00 0.00 C ATOM 132 C THR A 10 5.771 6.603 8.575 1.00 0.00 C ATOM 133 O THR A 10 5.207 5.777 9.287 1.00 0.00 O ATOM 134 CB THR A 10 6.373 8.964 9.290 1.00 0.00 C ATOM 135 OG1 THR A 10 7.046 9.590 10.371 1.00 0.00 O ATOM 136 CG2 THR A 10 4.877 9.147 9.493 1.00 0.00 C ATOM 0 H THR A 10 7.851 8.161 7.417 1.00 0.00 H new ATOM 0 HA THR A 10 7.158 7.170 10.109 1.00 0.00 H new ATOM 0 HB THR A 10 6.612 9.429 8.334 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.728 10.512 10.464 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.652 10.208 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.341 8.748 8.631 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.564 8.616 10.392 1.00 0.00 H new ATOM 144 N ALA A 11 5.522 6.754 7.270 1.00 0.00 N ATOM 145 CA ALA A 11 4.548 5.951 6.555 1.00 0.00 C ATOM 146 C ALA A 11 4.897 4.473 6.669 1.00 0.00 C ATOM 147 O ALA A 11 4.018 3.629 6.816 1.00 0.00 O ATOM 148 CB ALA A 11 4.510 6.372 5.109 1.00 0.00 C ATOM 0 H ALA A 11 5.997 7.442 6.685 1.00 0.00 H new ATOM 0 HA ALA A 11 3.563 6.106 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.778 5.768 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.230 7.424 5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.494 6.230 4.663 1.00 0.00 H new ATOM 154 N PHE A 12 6.196 4.172 6.641 1.00 0.00 N ATOM 155 CA PHE A 12 6.662 2.799 6.788 1.00 0.00 C ATOM 156 C PHE A 12 6.382 2.363 8.201 1.00 0.00 C ATOM 157 O PHE A 12 5.608 1.443 8.463 1.00 0.00 O ATOM 158 CB PHE A 12 8.163 2.699 6.508 1.00 0.00 C ATOM 159 CG PHE A 12 8.684 1.292 6.371 1.00 0.00 C ATOM 160 CD1 PHE A 12 8.124 0.401 5.467 1.00 0.00 C ATOM 161 CD2 PHE A 12 9.750 0.867 7.146 1.00 0.00 C ATOM 162 CE1 PHE A 12 8.622 -0.886 5.342 1.00 0.00 C ATOM 163 CE2 PHE A 12 10.249 -0.416 7.027 1.00 0.00 C ATOM 164 CZ PHE A 12 9.687 -1.293 6.125 1.00 0.00 C ATOM 0 H PHE A 12 6.939 4.860 6.518 1.00 0.00 H new ATOM 0 HA PHE A 12 6.144 2.159 6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.385 3.245 5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.703 3.195 7.314 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.291 0.714 4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.198 1.548 7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.179 -1.571 4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.080 -0.731 7.641 1.00 0.00 H new ATOM 0 HZ PHE A 12 10.077 -2.296 6.030 1.00 0.00 H new ATOM 174 N CYS A 13 7.116 3.013 9.107 1.00 0.00 N ATOM 175 CA CYS A 13 7.120 2.749 10.532 1.00 0.00 C ATOM 176 C CYS A 13 5.799 2.837 11.225 1.00 0.00 C ATOM 177 O CYS A 13 5.559 2.086 12.172 1.00 0.00 O ATOM 178 CB CYS A 13 8.020 3.799 11.177 1.00 0.00 C ATOM 179 SG CYS A 13 9.099 3.241 12.537 1.00 0.00 S ATOM 0 H CYS A 13 7.749 3.770 8.847 1.00 0.00 H new ATOM 0 HA CYS A 13 7.450 1.716 10.640 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.651 4.229 10.399 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.387 4.602 11.554 1.00 0.00 H new ATOM 184 N ASN A 14 4.898 3.692 10.767 1.00 0.00 N ATOM 185 CA ASN A 14 3.609 3.758 11.378 1.00 0.00 C ATOM 186 C ASN A 14 2.813 2.586 10.845 1.00 0.00 C ATOM 187 O ASN A 14 2.143 1.881 11.602 1.00 0.00 O ATOM 188 CB ASN A 14 2.932 5.090 11.013 1.00 0.00 C ATOM 189 CG ASN A 14 2.217 5.742 12.180 1.00 0.00 C ATOM 190 OD1 ASN A 14 2.762 5.848 13.278 1.00 0.00 O ATOM 191 ND2 ASN A 14 0.991 6.197 11.939 1.00 0.00 N ATOM 0 H ASN A 14 5.045 4.333 9.988 1.00 0.00 H new ATOM 0 HA ASN A 14 3.677 3.709 12.465 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.685 5.778 10.628 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.217 4.917 10.209 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.462 6.656 12.681 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.579 6.087 11.012 1.00 0.00 H new ATOM 198 N SER A 15 2.906 2.363 9.524 1.00 0.00 N ATOM 199 CA SER A 15 2.245 1.286 8.843 1.00 0.00 C ATOM 200 C SER A 15 2.707 -0.068 9.314 1.00 0.00 C ATOM 201 O SER A 15 3.894 -0.369 9.439 1.00 0.00 O ATOM 202 CB SER A 15 2.531 1.362 7.359 1.00 0.00 C ATOM 203 OG SER A 15 1.716 2.323 6.714 1.00 0.00 O ATOM 0 H SER A 15 3.461 2.952 8.903 1.00 0.00 H new ATOM 0 HA SER A 15 1.182 1.395 9.058 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.580 1.613 7.204 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.367 0.384 6.907 1.00 0.00 H new ATOM 0 HG SER A 15 2.249 3.120 6.510 1.00 0.00 H new ATOM 209 N ASP A 16 1.715 -0.840 9.564 1.00 0.00 N ATOM 210 CA ASP A 16 1.830 -2.200 10.036 1.00 0.00 C ATOM 211 C ASP A 16 1.739 -3.206 8.899 1.00 0.00 C ATOM 212 O ASP A 16 1.708 -4.409 9.125 1.00 0.00 O ATOM 213 CB ASP A 16 0.660 -2.469 10.960 1.00 0.00 C ATOM 214 CG ASP A 16 0.697 -1.648 12.232 1.00 0.00 C ATOM 215 OD1 ASP A 16 1.803 -1.409 12.758 1.00 0.00 O ATOM 216 OD2 ASP A 16 -0.387 -1.235 12.700 1.00 0.00 O ATOM 0 H ASP A 16 0.747 -0.541 9.444 1.00 0.00 H new ATOM 0 HA ASP A 16 2.796 -2.309 10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.269 -2.260 10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.648 -3.528 11.220 1.00 0.00 H new ATOM 221 N LEU A 17 1.884 -2.692 7.684 1.00 0.00 N ATOM 222 CA LEU A 17 1.992 -3.548 6.517 1.00 0.00 C ATOM 223 C LEU A 17 2.365 -2.760 5.275 1.00 0.00 C ATOM 224 O LEU A 17 1.713 -1.797 4.913 1.00 0.00 O ATOM 225 CB LEU A 17 0.747 -4.393 6.343 1.00 0.00 C ATOM 226 CG LEU A 17 0.932 -5.806 6.889 1.00 0.00 C ATOM 227 CD1 LEU A 17 0.077 -6.060 8.118 1.00 0.00 C ATOM 228 CD2 LEU A 17 0.646 -6.813 5.808 1.00 0.00 C ATOM 0 H LEU A 17 1.929 -1.693 7.485 1.00 0.00 H new ATOM 0 HA LEU A 17 2.814 -4.245 6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.090 -3.915 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.489 -4.444 5.285 1.00 0.00 H new ATOM 0 HG LEU A 17 1.970 -5.912 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.241 -7.078 8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.350 -5.355 8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.975 -5.930 7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.780 -7.820 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.380 -6.693 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.331 -6.657 4.975 1.00 0.00 H new ATOM 240 N VAL A 18 3.439 -3.182 4.623 1.00 0.00 N ATOM 241 CA VAL A 18 3.913 -2.511 3.431 1.00 0.00 C ATOM 242 C VAL A 18 4.347 -3.536 2.424 1.00 0.00 C ATOM 243 O VAL A 18 4.974 -4.528 2.792 1.00 0.00 O ATOM 244 CB VAL A 18 5.140 -1.620 3.730 1.00 0.00 C ATOM 245 CG1 VAL A 18 5.498 -0.768 2.521 1.00 0.00 C ATOM 246 CG2 VAL A 18 4.906 -0.752 4.956 1.00 0.00 C ATOM 0 H VAL A 18 3.997 -3.988 4.904 1.00 0.00 H new ATOM 0 HA VAL A 18 3.096 -1.895 3.057 1.00 0.00 H new ATOM 0 HB VAL A 18 5.983 -2.276 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.364 -0.149 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.732 -1.416 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.654 -0.128 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.787 -0.137 5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.043 -0.108 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.720 -1.388 5.822 1.00 0.00 H new ATOM 256 N ILE A 19 3.941 -3.375 1.172 1.00 0.00 N ATOM 257 CA ILE A 19 4.210 -4.383 0.177 1.00 0.00 C ATOM 258 C ILE A 19 4.229 -3.822 -1.232 1.00 0.00 C ATOM 259 O ILE A 19 3.523 -2.865 -1.548 1.00 0.00 O ATOM 260 CB ILE A 19 3.091 -5.451 0.216 1.00 0.00 C ATOM 261 CG1 ILE A 19 1.709 -4.802 0.034 1.00 0.00 C ATOM 262 CG2 ILE A 19 3.136 -6.258 1.496 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.174 -4.097 1.268 1.00 0.00 C ATOM 0 H ILE A 19 3.429 -2.561 0.831 1.00 0.00 H new ATOM 0 HA ILE A 19 5.191 -4.797 0.411 1.00 0.00 H new ATOM 0 HB ILE A 19 3.264 -6.136 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.765 -4.083 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.998 -5.571 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.336 -6.998 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.098 -6.765 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.007 -5.593 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.196 -3.670 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.081 -4.813 2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.860 -3.302 1.559 1.00 0.00 H new ATOM 275 N ARG A 20 5.017 -4.453 -2.078 1.00 0.00 N ATOM 276 CA ARG A 20 5.103 -4.050 -3.463 1.00 0.00 C ATOM 277 C ARG A 20 4.181 -4.934 -4.312 1.00 0.00 C ATOM 278 O ARG A 20 4.152 -6.155 -4.173 1.00 0.00 O ATOM 279 CB ARG A 20 6.562 -4.049 -3.949 1.00 0.00 C ATOM 280 CG ARG A 20 7.062 -5.368 -4.497 1.00 0.00 C ATOM 281 CD ARG A 20 8.029 -6.044 -3.549 1.00 0.00 C ATOM 282 NE ARG A 20 9.347 -6.237 -4.157 1.00 0.00 N ATOM 283 CZ ARG A 20 10.409 -6.715 -3.508 1.00 0.00 C ATOM 284 NH1 ARG A 20 10.320 -7.048 -2.227 1.00 0.00 N ATOM 285 NH2 ARG A 20 11.563 -6.859 -4.145 1.00 0.00 N ATOM 0 H ARG A 20 5.607 -5.247 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 20 4.756 -3.022 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.669 -3.289 -4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.204 -3.752 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.215 -6.028 -4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.552 -5.200 -5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.131 -5.443 -2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.624 -7.010 -3.246 1.00 0.00 H new ATOM 0 HE ARG A 20 9.460 -5.990 -5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.435 -6.939 -1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.137 -7.413 -1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.637 -6.604 -5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.377 -7.225 -3.650 1.00 0.00 H new ATOM 299 N ALA A 21 3.410 -4.276 -5.160 1.00 0.00 N ATOM 300 CA ALA A 21 2.448 -4.987 -6.003 1.00 0.00 C ATOM 301 C ALA A 21 2.059 -4.257 -7.277 1.00 0.00 C ATOM 302 O ALA A 21 2.422 -3.113 -7.532 1.00 0.00 O ATOM 303 CB ALA A 21 1.214 -5.335 -5.191 1.00 0.00 C ATOM 0 H ALA A 21 3.425 -3.264 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 21 2.954 -5.893 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.500 -5.864 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.498 -5.971 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.756 -4.420 -4.814 1.00 0.00 H new ATOM 309 N LYS A 22 1.247 -4.997 -8.038 1.00 0.00 N ATOM 310 CA LYS A 22 0.649 -4.567 -9.299 1.00 0.00 C ATOM 311 C LYS A 22 -0.876 -4.521 -9.175 1.00 0.00 C ATOM 312 O LYS A 22 -1.456 -5.291 -8.419 1.00 0.00 O ATOM 313 CB LYS A 22 1.033 -5.545 -10.408 1.00 0.00 C ATOM 314 CG LYS A 22 2.241 -5.134 -11.224 1.00 0.00 C ATOM 315 CD LYS A 22 3.092 -6.337 -11.593 1.00 0.00 C ATOM 316 CE LYS A 22 4.516 -6.178 -11.099 1.00 0.00 C ATOM 317 NZ LYS A 22 5.503 -6.699 -12.080 1.00 0.00 N ATOM 0 H LYS A 22 0.980 -5.947 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 22 1.019 -3.570 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.227 -6.520 -9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.182 -5.665 -11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.914 -4.625 -12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.840 -4.422 -10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.655 -7.239 -11.165 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.093 -6.466 -12.675 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.718 -5.125 -10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.633 -6.704 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.465 -6.572 -11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.327 -7.710 -12.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.409 -6.180 -12.976 1.00 0.00 H new ATOM 331 N PHE A 23 -1.525 -3.620 -9.905 1.00 0.00 N ATOM 332 CA PHE A 23 -2.987 -3.514 -9.840 1.00 0.00 C ATOM 333 C PHE A 23 -3.638 -4.318 -10.917 1.00 0.00 C ATOM 334 O PHE A 23 -3.396 -4.132 -12.108 1.00 0.00 O ATOM 335 CB PHE A 23 -3.441 -2.064 -9.922 1.00 0.00 C ATOM 336 CG PHE A 23 -3.029 -1.270 -8.733 1.00 0.00 C ATOM 337 CD1 PHE A 23 -1.755 -0.736 -8.653 1.00 0.00 C ATOM 338 CD2 PHE A 23 -3.906 -1.079 -7.685 1.00 0.00 C ATOM 339 CE1 PHE A 23 -1.365 -0.019 -7.545 1.00 0.00 C ATOM 340 CE2 PHE A 23 -3.522 -0.370 -6.573 1.00 0.00 C ATOM 341 CZ PHE A 23 -2.249 0.163 -6.503 1.00 0.00 C ATOM 0 H PHE A 23 -1.075 -2.960 -10.540 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.296 -3.917 -8.875 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.027 -1.607 -10.821 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.526 -2.031 -10.019 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.061 -0.883 -9.467 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.903 -1.491 -7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.371 0.399 -7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.213 -0.229 -5.755 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.946 0.723 -5.631 1.00 0.00 H new ATOM 351 N VAL A 24 -4.424 -5.270 -10.461 1.00 0.00 N ATOM 352 CA VAL A 24 -5.081 -6.189 -11.325 1.00 0.00 C ATOM 353 C VAL A 24 -6.535 -6.431 -10.939 1.00 0.00 C ATOM 354 O VAL A 24 -7.031 -7.556 -11.009 1.00 0.00 O ATOM 355 CB VAL A 24 -4.313 -7.503 -11.295 1.00 0.00 C ATOM 356 CG1 VAL A 24 -2.910 -7.303 -11.842 1.00 0.00 C ATOM 357 CG2 VAL A 24 -4.294 -8.093 -9.888 1.00 0.00 C ATOM 0 H VAL A 24 -4.617 -5.417 -9.470 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.095 -5.761 -12.327 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.823 -8.222 -11.936 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.371 -8.250 -11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.968 -6.947 -12.871 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.383 -6.568 -11.233 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.739 -9.031 -9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.813 -7.392 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.316 -8.278 -9.557 1.00 0.00 H new ATOM 367 N GLY A 25 -7.221 -5.356 -10.559 1.00 0.00 N ATOM 368 CA GLY A 25 -8.624 -5.426 -10.192 1.00 0.00 C ATOM 369 C GLY A 25 -9.204 -4.043 -9.964 1.00 0.00 C ATOM 370 O GLY A 25 -8.463 -3.067 -9.855 1.00 0.00 O ATOM 0 H GLY A 25 -6.819 -4.420 -10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.183 -5.932 -10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.736 -6.023 -9.287 1.00 0.00 H new ATOM 374 N THR A 26 -10.530 -3.953 -9.912 1.00 0.00 N ATOM 375 CA THR A 26 -11.217 -2.673 -9.719 1.00 0.00 C ATOM 376 C THR A 26 -11.858 -2.577 -8.329 1.00 0.00 C ATOM 377 O THR A 26 -12.117 -3.592 -7.685 1.00 0.00 O ATOM 378 CB THR A 26 -12.273 -2.484 -10.810 1.00 0.00 C ATOM 379 OG1 THR A 26 -12.352 -3.631 -11.641 1.00 0.00 O ATOM 380 CG2 THR A 26 -11.997 -1.296 -11.707 1.00 0.00 C ATOM 0 H THR A 26 -11.156 -4.754 -10.001 1.00 0.00 H new ATOM 0 HA THR A 26 -10.476 -1.877 -9.790 1.00 0.00 H new ATOM 0 HB THR A 26 -13.209 -2.315 -10.277 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.034 -3.489 -12.330 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.782 -1.218 -12.459 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.976 -0.385 -11.108 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.034 -1.429 -12.200 1.00 0.00 H new ATOM 388 N PRO A 27 -12.087 -1.341 -7.832 1.00 0.00 N ATOM 389 CA PRO A 27 -12.658 -1.107 -6.498 1.00 0.00 C ATOM 390 C PRO A 27 -14.177 -1.204 -6.393 1.00 0.00 C ATOM 391 O PRO A 27 -14.927 -0.642 -7.190 1.00 0.00 O ATOM 392 CB PRO A 27 -12.184 0.304 -6.174 1.00 0.00 C ATOM 393 CG PRO A 27 -12.122 0.986 -7.499 1.00 0.00 C ATOM 394 CD PRO A 27 -11.756 -0.074 -8.511 1.00 0.00 C ATOM 0 HA PRO A 27 -12.331 -1.884 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.874 0.810 -5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.209 0.294 -5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.081 1.443 -7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.381 1.785 -7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.322 0.044 -9.435 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.700 -0.026 -8.775 1.00 0.00 H new ATOM 402 N GLU A 28 -14.586 -1.937 -5.362 1.00 0.00 N ATOM 403 CA GLU A 28 -16.006 -2.136 -5.089 1.00 0.00 C ATOM 404 C GLU A 28 -16.475 -1.354 -3.859 1.00 0.00 C ATOM 405 O GLU A 28 -15.855 -1.395 -2.796 1.00 0.00 O ATOM 406 CB GLU A 28 -16.298 -3.617 -4.938 1.00 0.00 C ATOM 407 CG GLU A 28 -16.968 -4.230 -6.156 1.00 0.00 C ATOM 408 CD GLU A 28 -16.725 -3.469 -7.451 1.00 0.00 C ATOM 409 OE1 GLU A 28 -17.484 -2.515 -7.730 1.00 0.00 O ATOM 410 OE2 GLU A 28 -15.783 -3.830 -8.186 1.00 0.00 O ATOM 0 H GLU A 28 -13.959 -2.401 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 28 -16.568 -1.746 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -15.365 -4.145 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -16.937 -3.766 -4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.611 -5.253 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -18.042 -4.286 -5.977 1.00 0.00 H new ATOM 417 N VAL A 29 -17.526 -0.567 -4.072 1.00 0.00 N ATOM 418 CA VAL A 29 -18.015 0.319 -3.013 1.00 0.00 C ATOM 419 C VAL A 29 -19.288 -0.094 -2.265 1.00 0.00 C ATOM 420 O VAL A 29 -20.385 0.197 -2.746 1.00 0.00 O ATOM 421 CB VAL A 29 -18.272 1.731 -3.558 1.00 0.00 C ATOM 422 CG1 VAL A 29 -18.348 2.742 -2.420 1.00 0.00 C ATOM 423 CG2 VAL A 29 -17.215 2.137 -4.573 1.00 0.00 C ATOM 0 H VAL A 29 -18.048 -0.522 -4.947 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.201 0.263 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 29 -19.233 1.718 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.531 3.736 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -19.161 2.471 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.407 2.743 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.428 3.142 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -16.233 2.123 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -17.226 1.438 -5.409 1.00 0.00 H new ATOM 433 N ASN A 30 -19.190 -0.713 -1.084 1.00 0.00 N ATOM 434 CA ASN A 30 -20.420 -1.045 -0.357 1.00 0.00 C ATOM 435 C ASN A 30 -21.032 0.294 0.037 1.00 0.00 C ATOM 436 O ASN A 30 -20.344 1.283 0.295 1.00 0.00 O ATOM 437 CB ASN A 30 -20.160 -1.907 0.869 1.00 0.00 C ATOM 438 CG ASN A 30 -21.316 -2.846 1.158 1.00 0.00 C ATOM 439 OD1 ASN A 30 -21.933 -2.692 2.322 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 -21.649 -3.704 0.341 1.00 0.00 N flip ATOM 0 H ASN A 30 -18.318 -0.983 -0.628 1.00 0.00 H new ATOM 0 HA ASN A 30 -21.088 -1.637 -0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.250 -2.488 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.989 -1.266 1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.147 -3.788 -0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.427 -4.331 0.548 1.00 0.00 H new ATOM 447 N GLN A 31 -22.351 0.252 0.145 1.00 0.00 N ATOM 448 CA GLN A 31 -23.135 1.398 0.591 1.00 0.00 C ATOM 449 C GLN A 31 -23.104 1.449 2.105 1.00 0.00 C ATOM 450 O GLN A 31 -23.530 2.439 2.702 1.00 0.00 O ATOM 451 CB GLN A 31 -24.562 1.267 0.104 1.00 0.00 C ATOM 452 CG GLN A 31 -24.671 0.845 -1.348 1.00 0.00 C ATOM 453 CD GLN A 31 -24.583 2.019 -2.301 1.00 0.00 C ATOM 454 OE1 GLN A 31 -25.586 2.444 -2.875 1.00 0.00 O ATOM 455 NE2 GLN A 31 -23.379 2.550 -2.476 1.00 0.00 N ATOM 0 H GLN A 31 -22.909 -0.574 -0.073 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.713 2.317 0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -25.084 0.539 0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -25.071 2.222 0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.877 0.135 -1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.617 0.326 -1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.575 2.166 -1.980 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -23.258 3.342 -3.107 1.00 0.00 H new ATOM 464 N THR A 32 -22.714 0.362 2.732 1.00 0.00 N ATOM 465 CA THR A 32 -22.760 0.251 4.166 1.00 0.00 C ATOM 466 C THR A 32 -21.476 -0.360 4.640 1.00 0.00 C ATOM 467 O THR A 32 -21.452 -1.409 5.283 1.00 0.00 O ATOM 468 CB THR A 32 -23.993 -0.604 4.545 1.00 0.00 C ATOM 469 OG1 THR A 32 -25.171 0.181 4.488 1.00 0.00 O ATOM 470 CG2 THR A 32 -23.957 -1.242 5.923 1.00 0.00 C ATOM 0 H THR A 32 -22.357 -0.468 2.259 1.00 0.00 H new ATOM 0 HA THR A 32 -22.861 1.224 4.646 1.00 0.00 H new ATOM 0 HB THR A 32 -23.980 -1.412 3.813 1.00 0.00 H new ATOM 0 HG1 THR A 32 -25.944 -0.371 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.869 -1.817 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 32 -23.094 -1.904 5.995 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.882 -0.464 6.682 1.00 0.00 H new ATOM 478 N THR A 33 -20.393 0.292 4.301 1.00 0.00 N ATOM 479 CA THR A 33 -19.092 -0.162 4.675 1.00 0.00 C ATOM 480 C THR A 33 -18.386 0.966 5.310 1.00 0.00 C ATOM 481 O THR A 33 -17.739 0.809 6.343 1.00 0.00 O ATOM 482 CB THR A 33 -18.255 -0.566 3.455 1.00 0.00 C ATOM 483 OG1 THR A 33 -16.867 -0.513 3.728 1.00 0.00 O ATOM 484 CG2 THR A 33 -18.522 0.273 2.203 1.00 0.00 C ATOM 0 H THR A 33 -20.396 1.154 3.756 1.00 0.00 H new ATOM 0 HA THR A 33 -19.211 -1.023 5.333 1.00 0.00 H new ATOM 0 HB THR A 33 -18.569 -1.589 3.250 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.613 -1.281 4.281 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.890 -0.078 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.569 0.177 1.917 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.297 1.319 2.411 1.00 0.00 H new ATOM 492 N LEU A 34 -18.334 2.055 4.537 1.00 0.00 N ATOM 493 CA LEU A 34 -17.494 3.174 4.871 1.00 0.00 C ATOM 494 C LEU A 34 -16.150 3.004 4.215 1.00 0.00 C ATOM 495 O LEU A 34 -15.306 3.888 4.299 1.00 0.00 O ATOM 496 CB LEU A 34 -17.299 3.356 6.352 1.00 0.00 C ATOM 497 CG LEU A 34 -18.188 4.400 6.988 1.00 0.00 C ATOM 498 CD1 LEU A 34 -18.048 4.347 8.496 1.00 0.00 C ATOM 499 CD2 LEU A 34 -17.797 5.772 6.443 1.00 0.00 C ATOM 0 H LEU A 34 -18.870 2.171 3.677 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.002 4.066 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.474 2.401 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.259 3.625 6.536 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.233 4.207 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.691 5.102 8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.340 3.360 8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.012 4.541 8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.430 6.536 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.754 5.976 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.927 5.784 5.361 1.00 0.00 H new ATOM 511 N TYR A 35 -15.963 1.856 3.575 1.00 0.00 N ATOM 512 CA TYR A 35 -14.719 1.535 2.875 1.00 0.00 C ATOM 513 C TYR A 35 -14.939 0.737 1.609 1.00 0.00 C ATOM 514 O TYR A 35 -16.002 0.171 1.366 1.00 0.00 O ATOM 515 CB TYR A 35 -13.710 0.835 3.766 1.00 0.00 C ATOM 516 CG TYR A 35 -14.298 -0.058 4.799 1.00 0.00 C ATOM 517 CD1 TYR A 35 -14.810 0.483 5.957 1.00 0.00 C ATOM 518 CD2 TYR A 35 -14.321 -1.428 4.631 1.00 0.00 C ATOM 519 CE1 TYR A 35 -15.339 -0.311 6.934 1.00 0.00 C ATOM 520 CE2 TYR A 35 -14.851 -2.245 5.608 1.00 0.00 C ATOM 521 CZ TYR A 35 -15.361 -1.681 6.763 1.00 0.00 C ATOM 522 OH TYR A 35 -15.890 -2.487 7.744 1.00 0.00 O ATOM 0 H TYR A 35 -16.667 1.120 3.525 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.304 2.501 2.588 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.039 0.248 3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.101 1.590 4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -14.793 1.554 6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -13.921 -1.864 3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -15.738 0.130 7.835 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -14.867 -3.316 5.472 1.00 0.00 H new ATOM 0 HH TYR A 35 -15.829 -3.425 7.465 1.00 0.00 H new ATOM 532 N GLN A 36 -13.899 0.734 0.798 1.00 0.00 N ATOM 533 CA GLN A 36 -13.896 0.060 -0.477 1.00 0.00 C ATOM 534 C GLN A 36 -12.694 -0.869 -0.573 1.00 0.00 C ATOM 535 O GLN A 36 -11.973 -1.059 0.406 1.00 0.00 O ATOM 536 CB GLN A 36 -13.822 1.118 -1.567 1.00 0.00 C ATOM 537 CG GLN A 36 -15.028 2.021 -1.622 1.00 0.00 C ATOM 538 CD GLN A 36 -14.774 3.289 -2.414 1.00 0.00 C ATOM 539 OE1 GLN A 36 -14.993 4.433 -1.784 1.00 0.00 O flip ATOM 540 NE2 GLN A 36 -14.386 3.242 -3.581 1.00 0.00 N flip ATOM 0 H GLN A 36 -13.022 1.208 1.013 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.800 -0.538 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -12.931 1.726 -1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.705 0.625 -2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.862 1.480 -2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.326 2.285 -0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.229 2.340 -4.030 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.221 4.105 -4.099 1.00 0.00 H new ATOM 549 N ARG A 37 -12.465 -1.436 -1.751 1.00 0.00 N ATOM 550 CA ARG A 37 -11.329 -2.321 -1.934 1.00 0.00 C ATOM 551 C ARG A 37 -10.856 -2.353 -3.387 1.00 0.00 C ATOM 552 O ARG A 37 -11.640 -2.199 -4.311 1.00 0.00 O ATOM 553 CB ARG A 37 -11.653 -3.737 -1.441 1.00 0.00 C ATOM 554 CG ARG A 37 -12.890 -4.357 -2.074 1.00 0.00 C ATOM 555 CD ARG A 37 -13.224 -5.698 -1.433 1.00 0.00 C ATOM 556 NE ARG A 37 -14.653 -6.003 -1.502 1.00 0.00 N ATOM 557 CZ ARG A 37 -15.422 -6.252 -0.441 1.00 0.00 C ATOM 558 NH1 ARG A 37 -14.917 -6.225 0.785 1.00 0.00 N ATOM 559 NH2 ARG A 37 -16.708 -6.527 -0.608 1.00 0.00 N ATOM 0 H ARG A 37 -13.043 -1.300 -2.580 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.512 -1.922 -1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.797 -4.382 -1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.788 -3.710 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.736 -3.678 -1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.725 -4.493 -3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.661 -6.487 -1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.906 -5.690 -0.390 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.091 -6.027 -2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.929 -6.012 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.516 -6.417 1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.107 -6.548 -1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.298 -6.718 0.202 1.00 0.00 H new ATOM 573 N TYR A 38 -9.566 -2.618 -3.554 1.00 0.00 N ATOM 574 CA TYR A 38 -8.938 -2.748 -4.878 1.00 0.00 C ATOM 575 C TYR A 38 -8.222 -4.094 -4.937 1.00 0.00 C ATOM 576 O TYR A 38 -7.737 -4.565 -3.908 1.00 0.00 O ATOM 577 CB TYR A 38 -7.867 -1.655 -5.143 1.00 0.00 C ATOM 578 CG TYR A 38 -8.352 -0.263 -5.543 1.00 0.00 C ATOM 579 CD1 TYR A 38 -8.613 0.714 -4.583 1.00 0.00 C ATOM 580 CD2 TYR A 38 -8.497 0.095 -6.882 1.00 0.00 C ATOM 581 CE1 TYR A 38 -9.013 1.989 -4.947 1.00 0.00 C ATOM 582 CE2 TYR A 38 -8.890 1.369 -7.248 1.00 0.00 C ATOM 583 CZ TYR A 38 -9.149 2.309 -6.279 1.00 0.00 C ATOM 584 OH TYR A 38 -9.539 3.579 -6.642 1.00 0.00 O ATOM 0 H TYR A 38 -8.918 -2.750 -2.778 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.728 -2.651 -5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.263 -1.553 -4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.206 -2.018 -5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.501 0.472 -3.536 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.298 -0.638 -7.650 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.218 2.730 -4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.993 1.625 -8.292 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.932 4.235 -6.240 1.00 0.00 H new ATOM 594 N GLU A 39 -8.117 -4.719 -6.110 1.00 0.00 N ATOM 595 CA GLU A 39 -7.426 -5.992 -6.242 1.00 0.00 C ATOM 596 C GLU A 39 -6.069 -5.724 -6.854 1.00 0.00 C ATOM 597 O GLU A 39 -5.961 -4.888 -7.751 1.00 0.00 O ATOM 598 CB GLU A 39 -8.216 -6.957 -7.132 1.00 0.00 C ATOM 599 CG GLU A 39 -9.635 -7.228 -6.660 1.00 0.00 C ATOM 600 CD GLU A 39 -10.683 -6.436 -7.417 1.00 0.00 C ATOM 601 OE1 GLU A 39 -10.688 -6.495 -8.665 1.00 0.00 O ATOM 602 OE2 GLU A 39 -11.512 -5.772 -6.761 1.00 0.00 O ATOM 0 H GLU A 39 -8.505 -4.359 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.323 -6.455 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.254 -6.551 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.678 -7.903 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.848 -8.292 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.708 -6.992 -5.598 1.00 0.00 H new ATOM 609 N ILE A 40 -5.025 -6.388 -6.377 1.00 0.00 N ATOM 610 CA ILE A 40 -3.707 -6.117 -6.924 1.00 0.00 C ATOM 611 C ILE A 40 -2.777 -7.323 -6.963 1.00 0.00 C ATOM 612 O ILE A 40 -2.741 -8.137 -6.040 1.00 0.00 O ATOM 613 CB ILE A 40 -3.006 -5.037 -6.084 1.00 0.00 C ATOM 614 CG1 ILE A 40 -3.023 -5.436 -4.608 1.00 0.00 C ATOM 615 CG2 ILE A 40 -3.661 -3.682 -6.280 1.00 0.00 C ATOM 616 CD1 ILE A 40 -2.089 -4.612 -3.752 1.00 0.00 C ATOM 0 H ILE A 40 -5.061 -7.092 -5.640 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.889 -5.801 -7.951 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.971 -4.956 -6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.038 -5.336 -4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.751 -6.488 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.145 -2.937 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.603 -3.398 -7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.706 -3.736 -5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.152 -4.949 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.067 -4.731 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.374 -3.562 -3.810 1.00 0.00 H new ATOM 628 N LYS A 41 -2.064 -7.443 -8.079 1.00 0.00 N ATOM 629 CA LYS A 41 -1.172 -8.567 -8.287 1.00 0.00 C ATOM 630 C LYS A 41 0.058 -8.411 -7.408 1.00 0.00 C ATOM 631 O LYS A 41 1.100 -7.914 -7.834 1.00 0.00 O ATOM 632 CB LYS A 41 -0.736 -8.632 -9.751 1.00 0.00 C ATOM 633 CG LYS A 41 -0.086 -9.941 -10.157 1.00 0.00 C ATOM 634 CD LYS A 41 -1.120 -11.043 -10.316 1.00 0.00 C ATOM 635 CE LYS A 41 -1.286 -11.834 -9.030 1.00 0.00 C ATOM 636 NZ LYS A 41 -0.360 -12.995 -8.973 1.00 0.00 N ATOM 0 H LYS A 41 -2.090 -6.774 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.699 -9.485 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.607 -8.462 -10.384 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.037 -7.818 -9.945 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.453 -9.807 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.648 -10.233 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.077 -10.608 -10.604 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.819 -11.713 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.104 -11.182 -8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.315 -12.185 -8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.503 -13.510 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.550 -13.631 -9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.623 -12.658 -9.024 1.00 0.00 H new ATOM 650 N MET A 42 -0.101 -8.842 -6.154 1.00 0.00 N ATOM 651 CA MET A 42 0.942 -8.776 -5.137 1.00 0.00 C ATOM 652 C MET A 42 2.296 -9.196 -5.672 1.00 0.00 C ATOM 653 O MET A 42 2.420 -10.269 -6.262 1.00 0.00 O ATOM 654 CB MET A 42 0.551 -9.701 -3.983 1.00 0.00 C ATOM 655 CG MET A 42 1.116 -9.287 -2.646 1.00 0.00 C ATOM 656 SD MET A 42 2.901 -9.426 -2.580 1.00 0.00 S ATOM 657 CE MET A 42 3.265 -7.772 -2.039 1.00 0.00 C ATOM 0 H MET A 42 -0.972 -9.252 -5.816 1.00 0.00 H new ATOM 0 HA MET A 42 1.028 -7.741 -4.806 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.536 -9.736 -3.911 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.888 -10.712 -4.211 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.827 -8.257 -2.437 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.678 -9.906 -1.863 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.043 -7.345 -2.672 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.365 -7.160 -2.108 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.610 -7.795 -1.005 1.00 0.00 H new ATOM 667 N THR A 43 3.333 -8.382 -5.450 1.00 0.00 N ATOM 668 CA THR A 43 4.658 -8.745 -5.905 1.00 0.00 C ATOM 669 C THR A 43 5.456 -9.362 -4.747 1.00 0.00 C ATOM 670 O THR A 43 5.696 -10.569 -4.737 1.00 0.00 O ATOM 671 CB THR A 43 5.385 -7.533 -6.492 1.00 0.00 C ATOM 672 OG1 THR A 43 4.554 -6.850 -7.404 1.00 0.00 O ATOM 673 CG2 THR A 43 6.659 -7.877 -7.232 1.00 0.00 C ATOM 0 H THR A 43 3.273 -7.486 -4.966 1.00 0.00 H new ATOM 0 HA THR A 43 4.566 -9.487 -6.698 1.00 0.00 H new ATOM 0 HB THR A 43 5.640 -6.919 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.305 -7.453 -8.135 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.114 -6.964 -7.617 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.354 -8.369 -6.551 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.429 -8.546 -8.061 1.00 0.00 H new ATOM 681 N LYS A 44 5.826 -8.543 -3.740 1.00 0.00 N ATOM 682 CA LYS A 44 6.545 -9.012 -2.544 1.00 0.00 C ATOM 683 C LYS A 44 6.273 -8.063 -1.355 1.00 0.00 C ATOM 684 O LYS A 44 6.015 -6.873 -1.551 1.00 0.00 O ATOM 685 CB LYS A 44 8.049 -9.115 -2.810 1.00 0.00 C ATOM 686 CG LYS A 44 8.477 -10.433 -3.413 1.00 0.00 C ATOM 687 CD LYS A 44 9.975 -10.458 -3.650 1.00 0.00 C ATOM 688 CE LYS A 44 10.335 -9.867 -5.005 1.00 0.00 C ATOM 689 NZ LYS A 44 9.886 -10.735 -6.127 1.00 0.00 N ATOM 0 H LYS A 44 5.634 -7.541 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 44 6.179 -10.008 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.345 -8.307 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.585 -8.965 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.196 -11.250 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.953 -10.594 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.478 -9.898 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.337 -11.485 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.879 -8.882 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.414 -9.726 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.445 -10.520 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.019 -11.733 -5.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.880 -10.559 -6.321 1.00 0.00 H new ATOM 703 N MET A 45 6.314 -8.597 -0.125 1.00 0.00 N ATOM 704 CA MET A 45 6.039 -7.806 1.095 1.00 0.00 C ATOM 705 C MET A 45 7.314 -7.172 1.621 1.00 0.00 C ATOM 706 O MET A 45 8.345 -7.840 1.697 1.00 0.00 O ATOM 707 CB MET A 45 5.473 -8.733 2.186 1.00 0.00 C ATOM 708 CG MET A 45 4.809 -8.034 3.362 1.00 0.00 C ATOM 709 SD MET A 45 3.817 -9.167 4.349 1.00 0.00 S ATOM 710 CE MET A 45 2.172 -8.697 3.837 1.00 0.00 C ATOM 0 H MET A 45 6.535 -9.576 0.057 1.00 0.00 H new ATOM 0 HA MET A 45 5.323 -7.024 0.844 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.746 -9.403 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.284 -9.354 2.566 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.574 -7.579 3.992 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.177 -7.226 2.993 1.00 0.00 H new ATOM 0 HE1 MET A 45 1.452 -9.014 4.591 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.122 -7.614 3.721 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.936 -9.175 2.886 1.00 0.00 H new ATOM 720 N TYR A 46 7.263 -5.894 2.016 1.00 0.00 N ATOM 721 CA TYR A 46 8.409 -5.190 2.562 1.00 0.00 C ATOM 722 C TYR A 46 8.189 -4.929 4.053 1.00 0.00 C ATOM 723 O TYR A 46 8.960 -4.201 4.678 1.00 0.00 O ATOM 724 CB TYR A 46 8.605 -3.843 1.844 1.00 0.00 C ATOM 725 CG TYR A 46 9.400 -3.918 0.554 1.00 0.00 C ATOM 726 CD1 TYR A 46 10.782 -4.043 0.572 1.00 0.00 C ATOM 727 CD2 TYR A 46 8.770 -3.862 -0.684 1.00 0.00 C ATOM 728 CE1 TYR A 46 11.512 -4.117 -0.597 1.00 0.00 C ATOM 729 CE2 TYR A 46 9.499 -3.931 -1.859 1.00 0.00 C ATOM 730 CZ TYR A 46 10.868 -4.061 -1.807 1.00 0.00 C ATOM 731 OH TYR A 46 11.595 -4.154 -2.970 1.00 0.00 O ATOM 0 H TYR A 46 6.418 -5.325 1.962 1.00 0.00 H new ATOM 0 HA TYR A 46 9.296 -5.807 2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.625 -3.418 1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.107 -3.155 2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.297 -4.083 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.696 -3.763 -0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 46 12.587 -4.219 -0.559 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.995 -3.883 -2.813 1.00 0.00 H new ATOM 0 HH TYR A 46 11.903 -3.262 -3.235 1.00 0.00 H new ATOM 741 N LYS A 47 7.159 -5.561 4.636 1.00 0.00 N ATOM 742 CA LYS A 47 6.816 -5.471 6.047 1.00 0.00 C ATOM 743 C LYS A 47 5.467 -6.155 6.282 1.00 0.00 C ATOM 744 O LYS A 47 4.471 -5.759 5.677 1.00 0.00 O ATOM 745 CB LYS A 47 6.764 -4.021 6.520 1.00 0.00 C ATOM 746 CG LYS A 47 7.460 -3.811 7.853 1.00 0.00 C ATOM 747 CD LYS A 47 7.522 -2.342 8.225 1.00 0.00 C ATOM 748 CE LYS A 47 6.203 -1.856 8.796 1.00 0.00 C ATOM 749 NZ LYS A 47 5.828 -2.591 10.033 1.00 0.00 N ATOM 0 H LYS A 47 6.526 -6.167 4.113 1.00 0.00 H new ATOM 0 HA LYS A 47 7.591 -5.974 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.228 -3.382 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.723 -3.709 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.931 -4.362 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.470 -4.218 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.316 -2.184 8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.777 -1.753 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.273 -0.790 9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.418 -1.978 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.214 -1.991 10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.321 -3.462 9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.687 -2.834 10.566 1.00 0.00 H new ATOM 763 N GLY A 48 5.413 -7.175 7.133 1.00 0.00 N ATOM 764 CA GLY A 48 4.156 -7.868 7.389 1.00 0.00 C ATOM 765 C GLY A 48 4.328 -9.369 7.466 1.00 0.00 C ATOM 766 O GLY A 48 3.402 -10.084 7.845 1.00 0.00 O ATOM 0 H GLY A 48 6.214 -7.536 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.729 -7.506 8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.444 -7.627 6.599 1.00 0.00 H new ATOM 770 N PHE A 49 5.514 -9.851 7.100 1.00 0.00 N ATOM 771 CA PHE A 49 5.799 -11.280 7.128 1.00 0.00 C ATOM 772 C PHE A 49 5.302 -11.919 8.414 1.00 0.00 C ATOM 773 O PHE A 49 4.780 -13.033 8.387 1.00 0.00 O ATOM 774 CB PHE A 49 7.290 -11.552 6.984 1.00 0.00 C ATOM 775 CG PHE A 49 7.974 -10.769 5.896 1.00 0.00 C ATOM 776 CD1 PHE A 49 8.442 -9.487 6.135 1.00 0.00 C ATOM 777 CD2 PHE A 49 8.163 -11.323 4.638 1.00 0.00 C ATOM 778 CE1 PHE A 49 9.084 -8.772 5.144 1.00 0.00 C ATOM 779 CE2 PHE A 49 8.804 -10.611 3.641 1.00 0.00 C ATOM 780 CZ PHE A 49 9.265 -9.334 3.895 1.00 0.00 C ATOM 0 H PHE A 49 6.291 -9.272 6.781 1.00 0.00 H new ATOM 0 HA PHE A 49 5.271 -11.720 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.778 -11.331 7.933 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.434 -12.615 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.303 -9.041 7.109 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.805 -12.322 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.445 -7.774 5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.944 -11.053 2.665 1.00 0.00 H new ATOM 0 HZ PHE A 49 9.766 -8.776 3.118 1.00 0.00 H new ATOM 790 N GLN A 50 5.474 -11.242 9.553 1.00 0.00 N ATOM 791 CA GLN A 50 5.046 -11.802 10.822 1.00 0.00 C ATOM 792 C GLN A 50 3.531 -11.883 10.892 1.00 0.00 C ATOM 793 O GLN A 50 2.985 -12.808 11.494 1.00 0.00 O ATOM 794 CB GLN A 50 5.633 -11.018 11.993 1.00 0.00 C ATOM 795 CG GLN A 50 6.354 -11.923 12.975 1.00 0.00 C ATOM 796 CD GLN A 50 7.668 -11.346 13.472 1.00 0.00 C ATOM 797 OE1 GLN A 50 8.697 -11.444 12.801 1.00 0.00 O ATOM 798 NE2 GLN A 50 7.644 -10.750 14.659 1.00 0.00 N ATOM 0 H GLN A 50 5.902 -10.318 9.615 1.00 0.00 H new ATOM 0 HA GLN A 50 5.429 -12.820 10.895 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.326 -10.266 11.616 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.835 -10.485 12.509 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.703 -12.113 13.828 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.545 -12.885 12.499 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.770 -10.690 15.182 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.499 -10.352 15.047 1.00 0.00 H new ATOM 807 N ALA A 51 2.848 -10.976 10.202 1.00 0.00 N ATOM 808 CA ALA A 51 1.400 -11.038 10.124 1.00 0.00 C ATOM 809 C ALA A 51 1.136 -12.109 9.088 1.00 0.00 C ATOM 810 O ALA A 51 0.276 -12.958 9.326 1.00 0.00 O ATOM 811 CB ALA A 51 0.833 -9.701 9.677 1.00 0.00 C ATOM 0 H ALA A 51 3.271 -10.199 9.695 1.00 0.00 H new ATOM 0 HA ALA A 51 0.933 -11.261 11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.254 -9.766 9.624 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.116 -8.928 10.392 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.230 -9.448 8.694 1.00 0.00 H new ATOM 817 N LEU A 52 1.722 -12.043 7.910 1.00 0.00 N ATOM 818 CA LEU A 52 1.315 -13.000 6.902 1.00 0.00 C ATOM 819 C LEU A 52 2.379 -13.310 5.886 1.00 0.00 C ATOM 820 O LEU A 52 2.473 -12.708 4.816 1.00 0.00 O ATOM 821 CB LEU A 52 0.028 -12.494 6.250 1.00 0.00 C ATOM 822 CG LEU A 52 -0.431 -11.116 6.748 1.00 0.00 C ATOM 823 CD1 LEU A 52 0.423 -10.037 6.124 1.00 0.00 C ATOM 824 CD2 LEU A 52 -1.910 -10.867 6.473 1.00 0.00 C ATOM 0 H LEU A 52 2.443 -11.376 7.635 1.00 0.00 H new ATOM 0 HA LEU A 52 1.136 -13.955 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.175 -12.447 5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.767 -13.217 6.433 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.306 -11.092 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.094 -9.061 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.466 -10.192 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.327 -10.079 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.188 -9.880 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.094 -10.917 5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.507 -11.626 6.979 1.00 0.00 H new ATOM 836 N GLY A 53 3.149 -14.297 6.273 1.00 0.00 N ATOM 837 CA GLY A 53 4.239 -14.832 5.488 1.00 0.00 C ATOM 838 C GLY A 53 4.308 -14.376 4.044 1.00 0.00 C ATOM 839 O GLY A 53 4.805 -13.292 3.739 1.00 0.00 O ATOM 0 H GLY A 53 3.032 -14.766 7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.176 -14.566 5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.170 -15.920 5.501 1.00 0.00 H new ATOM 843 N ASP A 54 3.777 -15.223 3.160 1.00 0.00 N ATOM 844 CA ASP A 54 3.739 -14.935 1.731 1.00 0.00 C ATOM 845 C ASP A 54 2.327 -15.084 1.151 1.00 0.00 C ATOM 846 O ASP A 54 1.993 -14.450 0.149 1.00 0.00 O ATOM 847 CB ASP A 54 4.703 -15.856 0.984 1.00 0.00 C ATOM 848 CG ASP A 54 4.431 -17.321 1.264 1.00 0.00 C ATOM 849 OD1 ASP A 54 4.612 -17.748 2.424 1.00 0.00 O ATOM 850 OD2 ASP A 54 4.035 -18.041 0.323 1.00 0.00 O ATOM 0 H ASP A 54 3.365 -16.121 3.415 1.00 0.00 H new ATOM 0 HA ASP A 54 4.044 -13.897 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.622 -15.672 -0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.727 -15.617 1.272 1.00 0.00 H new ATOM 855 N ALA A 55 1.512 -15.939 1.768 1.00 0.00 N ATOM 856 CA ALA A 55 0.149 -16.187 1.292 1.00 0.00 C ATOM 857 C ALA A 55 -0.760 -14.988 1.527 1.00 0.00 C ATOM 858 O ALA A 55 -1.266 -14.381 0.583 1.00 0.00 O ATOM 859 CB ALA A 55 -0.427 -17.418 1.973 1.00 0.00 C ATOM 0 H ALA A 55 1.771 -16.472 2.598 1.00 0.00 H new ATOM 0 HA ALA A 55 0.202 -16.357 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.440 -17.593 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.194 -18.284 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.448 -17.261 3.051 1.00 0.00 H new ATOM 865 N ALA A 56 -0.946 -14.642 2.792 1.00 0.00 N ATOM 866 CA ALA A 56 -1.775 -13.503 3.166 1.00 0.00 C ATOM 867 C ALA A 56 -0.948 -12.264 3.209 1.00 0.00 C ATOM 868 O ALA A 56 -1.216 -11.351 3.984 1.00 0.00 O ATOM 869 CB ALA A 56 -2.482 -13.755 4.487 1.00 0.00 C ATOM 0 H ALA A 56 -0.532 -15.136 3.582 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.549 -13.367 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.094 -12.890 4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.118 -14.636 4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.742 -13.921 5.270 1.00 0.00 H new ATOM 875 N ASP A 57 0.027 -12.210 2.314 1.00 0.00 N ATOM 876 CA ASP A 57 0.843 -11.047 2.199 1.00 0.00 C ATOM 877 C ASP A 57 -0.129 -9.897 1.993 1.00 0.00 C ATOM 878 O ASP A 57 -0.757 -9.479 2.957 1.00 0.00 O ATOM 879 CB ASP A 57 1.845 -11.235 1.062 1.00 0.00 C ATOM 880 CG ASP A 57 2.629 -9.985 0.721 1.00 0.00 C ATOM 881 OD1 ASP A 57 2.104 -8.874 0.927 1.00 0.00 O ATOM 882 OD2 ASP A 57 3.770 -10.122 0.233 1.00 0.00 O ATOM 0 H ASP A 57 0.259 -12.963 1.667 1.00 0.00 H new ATOM 0 HA ASP A 57 1.455 -10.846 3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.543 -12.027 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.312 -11.571 0.173 1.00 0.00 H new ATOM 887 N ILE A 58 -0.336 -9.428 0.768 1.00 0.00 N ATOM 888 CA ILE A 58 -1.334 -8.382 0.570 1.00 0.00 C ATOM 889 C ILE A 58 -1.776 -8.234 -0.875 1.00 0.00 C ATOM 890 O ILE A 58 -1.020 -7.754 -1.719 1.00 0.00 O ATOM 891 CB ILE A 58 -0.871 -7.062 1.184 1.00 0.00 C ATOM 892 CG1 ILE A 58 -1.356 -7.063 2.627 1.00 0.00 C ATOM 893 CG2 ILE A 58 -1.399 -5.858 0.409 1.00 0.00 C ATOM 894 CD1 ILE A 58 -2.853 -7.006 2.733 1.00 0.00 C ATOM 0 H ILE A 58 0.151 -9.739 -0.073 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.231 -8.697 1.104 1.00 0.00 H new ATOM 0 HB ILE A 58 0.215 -6.977 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.994 -7.961 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.926 -6.210 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.047 -4.940 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.039 -5.901 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.489 -5.872 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.144 -7.009 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.217 -6.095 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.286 -7.873 2.234 1.00 0.00 H new ATOM 906 N ARG A 59 -2.980 -8.722 -1.178 1.00 0.00 N ATOM 907 CA ARG A 59 -3.460 -8.709 -2.549 1.00 0.00 C ATOM 908 C ARG A 59 -4.666 -7.809 -2.861 1.00 0.00 C ATOM 909 O ARG A 59 -4.981 -7.512 -4.014 1.00 0.00 O ATOM 910 CB ARG A 59 -3.821 -10.133 -2.974 1.00 0.00 C ATOM 911 CG ARG A 59 -2.898 -11.200 -2.411 1.00 0.00 C ATOM 912 CD ARG A 59 -3.067 -12.522 -3.143 1.00 0.00 C ATOM 913 NE ARG A 59 -4.422 -13.057 -3.007 1.00 0.00 N ATOM 914 CZ ARG A 59 -4.699 -14.318 -2.677 1.00 0.00 C ATOM 915 NH1 ARG A 59 -3.722 -15.183 -2.429 1.00 0.00 N ATOM 916 NH2 ARG A 59 -5.961 -14.719 -2.595 1.00 0.00 N ATOM 0 H ARG A 59 -3.627 -9.124 -0.500 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.627 -8.281 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.842 -10.347 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.805 -10.191 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.863 -10.867 -2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.106 -11.340 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.837 -12.383 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.351 -13.246 -2.753 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.204 -12.425 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.749 -14.884 -2.490 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.945 -16.146 -2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.718 -14.062 -2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.174 -15.684 -2.343 1.00 0.00 H new ATOM 930 N PHE A 60 -5.311 -7.370 -1.761 1.00 0.00 N ATOM 931 CA PHE A 60 -6.466 -6.487 -1.804 1.00 0.00 C ATOM 932 C PHE A 60 -6.281 -5.394 -0.781 1.00 0.00 C ATOM 933 O PHE A 60 -5.764 -5.611 0.314 1.00 0.00 O ATOM 934 CB PHE A 60 -7.762 -7.257 -1.527 1.00 0.00 C ATOM 935 CG PHE A 60 -8.013 -8.394 -2.474 1.00 0.00 C ATOM 936 CD1 PHE A 60 -7.477 -9.649 -2.233 1.00 0.00 C ATOM 937 CD2 PHE A 60 -8.790 -8.208 -3.602 1.00 0.00 C ATOM 938 CE1 PHE A 60 -7.713 -10.697 -3.104 1.00 0.00 C ATOM 939 CE2 PHE A 60 -9.028 -9.249 -4.475 1.00 0.00 C ATOM 940 CZ PHE A 60 -8.490 -10.496 -4.226 1.00 0.00 C ATOM 0 H PHE A 60 -5.032 -7.628 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.546 -6.055 -2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.731 -7.646 -0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.602 -6.564 -1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.868 -9.810 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.216 -7.236 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.290 -11.671 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.635 -9.089 -5.354 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.677 -11.312 -4.908 1.00 0.00 H new ATOM 950 N VAL A 61 -6.633 -4.205 -1.202 1.00 0.00 N ATOM 951 CA VAL A 61 -6.440 -3.014 -0.400 1.00 0.00 C ATOM 952 C VAL A 61 -7.759 -2.368 0.047 1.00 0.00 C ATOM 953 O VAL A 61 -8.635 -2.105 -0.772 1.00 0.00 O ATOM 954 CB VAL A 61 -5.636 -2.003 -1.225 1.00 0.00 C ATOM 955 CG1 VAL A 61 -4.623 -2.698 -2.103 1.00 0.00 C ATOM 956 CG2 VAL A 61 -6.538 -1.086 -2.032 1.00 0.00 C ATOM 0 H VAL A 61 -7.062 -4.031 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.910 -3.307 0.507 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.089 -1.373 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.068 -1.955 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.932 -3.267 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.137 -3.374 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.928 -0.385 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.143 -1.681 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.192 -0.533 -1.358 1.00 0.00 H new ATOM 966 N TYR A 62 -7.920 -2.180 1.354 1.00 0.00 N ATOM 967 CA TYR A 62 -9.157 -1.640 1.887 1.00 0.00 C ATOM 968 C TYR A 62 -9.027 -0.244 2.506 1.00 0.00 C ATOM 969 O TYR A 62 -8.449 -0.051 3.574 1.00 0.00 O ATOM 970 CB TYR A 62 -9.734 -2.618 2.902 1.00 0.00 C ATOM 971 CG TYR A 62 -9.934 -4.000 2.329 1.00 0.00 C ATOM 972 CD1 TYR A 62 -8.856 -4.756 1.871 1.00 0.00 C ATOM 973 CD2 TYR A 62 -11.204 -4.548 2.233 1.00 0.00 C ATOM 974 CE1 TYR A 62 -9.045 -6.014 1.340 1.00 0.00 C ATOM 975 CE2 TYR A 62 -11.398 -5.806 1.700 1.00 0.00 C ATOM 976 CZ TYR A 62 -10.317 -6.535 1.257 1.00 0.00 C ATOM 977 OH TYR A 62 -10.511 -7.790 0.726 1.00 0.00 O ATOM 0 H TYR A 62 -7.211 -2.394 2.056 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.830 -1.515 1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.067 -2.679 3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.689 -2.238 3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -7.857 -4.350 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -12.055 -3.981 2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.200 -6.588 0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.394 -6.217 1.631 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.466 -8.008 0.741 1.00 0.00 H new ATOM 987 N THR A 63 -9.622 0.715 1.818 1.00 0.00 N ATOM 988 CA THR A 63 -9.669 2.123 2.249 1.00 0.00 C ATOM 989 C THR A 63 -11.122 2.539 2.513 1.00 0.00 C ATOM 990 O THR A 63 -12.042 1.956 1.949 1.00 0.00 O ATOM 991 CB THR A 63 -9.129 3.070 1.171 1.00 0.00 C ATOM 992 OG1 THR A 63 -9.847 4.280 1.218 1.00 0.00 O ATOM 993 CG2 THR A 63 -9.267 2.537 -0.238 1.00 0.00 C ATOM 0 H THR A 63 -10.096 0.547 0.931 1.00 0.00 H new ATOM 0 HA THR A 63 -9.055 2.196 3.147 1.00 0.00 H new ATOM 0 HB THR A 63 -8.068 3.193 1.388 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.624 4.223 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.863 3.263 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.718 1.600 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.320 2.363 -0.460 1.00 0.00 H new ATOM 1001 N PRO A 64 -11.356 3.571 3.354 1.00 0.00 N ATOM 1002 CA PRO A 64 -12.714 4.045 3.639 1.00 0.00 C ATOM 1003 C PRO A 64 -13.458 4.550 2.389 1.00 0.00 C ATOM 1004 O PRO A 64 -12.859 5.063 1.446 1.00 0.00 O ATOM 1005 CB PRO A 64 -12.531 5.218 4.608 1.00 0.00 C ATOM 1006 CG PRO A 64 -11.088 5.257 4.994 1.00 0.00 C ATOM 1007 CD PRO A 64 -10.324 4.339 4.077 1.00 0.00 C ATOM 0 HA PRO A 64 -13.312 3.225 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.828 6.155 4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.161 5.090 5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.703 6.274 4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.965 4.945 6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.697 4.904 3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.664 3.679 4.640 1.00 0.00 H new ATOM 1015 N ALA A 65 -14.772 4.350 2.411 1.00 0.00 N ATOM 1016 CA ALA A 65 -15.674 4.719 1.341 1.00 0.00 C ATOM 1017 C ALA A 65 -16.530 5.935 1.693 1.00 0.00 C ATOM 1018 O ALA A 65 -17.759 5.872 1.649 1.00 0.00 O ATOM 1019 CB ALA A 65 -16.576 3.545 0.981 1.00 0.00 C ATOM 0 H ALA A 65 -15.247 3.913 3.201 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.056 4.987 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.249 3.837 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.965 2.703 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.160 3.254 1.854 1.00 0.00 H new ATOM 1025 N MET A 66 -15.888 7.042 2.028 1.00 0.00 N ATOM 1026 CA MET A 66 -16.616 8.258 2.369 1.00 0.00 C ATOM 1027 C MET A 66 -16.553 9.262 1.223 1.00 0.00 C ATOM 1028 O MET A 66 -15.724 9.138 0.322 1.00 0.00 O ATOM 1029 CB MET A 66 -16.050 8.881 3.645 1.00 0.00 C ATOM 1030 CG MET A 66 -16.252 8.023 4.881 1.00 0.00 C ATOM 1031 SD MET A 66 -16.088 8.963 6.412 1.00 0.00 S ATOM 1032 CE MET A 66 -14.505 9.762 6.154 1.00 0.00 C ATOM 0 H MET A 66 -14.872 7.126 2.072 1.00 0.00 H new ATOM 0 HA MET A 66 -17.659 7.993 2.542 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.984 9.062 3.509 1.00 0.00 H new ATOM 0 HB3 MET A 66 -16.520 9.851 3.805 1.00 0.00 H new ATOM 0 HG2 MET A 66 -17.241 7.566 4.844 1.00 0.00 H new ATOM 0 HG3 MET A 66 -15.525 7.211 4.878 1.00 0.00 H new ATOM 0 HE1 MET A 66 -14.181 10.235 7.081 1.00 0.00 H new ATOM 0 HE2 MET A 66 -13.768 9.019 5.849 1.00 0.00 H new ATOM 0 HE3 MET A 66 -14.602 10.518 5.375 1.00 0.00 H new ATOM 1042 N GLU A 67 -17.432 10.258 1.264 1.00 0.00 N ATOM 1043 CA GLU A 67 -17.471 11.284 0.227 1.00 0.00 C ATOM 1044 C GLU A 67 -16.163 12.069 0.209 1.00 0.00 C ATOM 1045 O GLU A 67 -15.823 12.744 1.181 1.00 0.00 O ATOM 1046 CB GLU A 67 -18.652 12.226 0.463 1.00 0.00 C ATOM 1047 CG GLU A 67 -19.977 11.673 -0.034 1.00 0.00 C ATOM 1048 CD GLU A 67 -21.104 12.683 0.060 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -21.547 12.975 1.190 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -21.545 13.181 -0.997 1.00 0.00 O ATOM 0 H GLU A 67 -18.126 10.377 2.002 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.598 10.799 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.732 12.435 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.454 13.176 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.867 11.353 -1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.238 10.788 0.547 1.00 0.00 H new ATOM 1057 N SER A 68 -15.423 11.965 -0.892 1.00 0.00 N ATOM 1058 CA SER A 68 -14.143 12.656 -1.015 1.00 0.00 C ATOM 1059 C SER A 68 -13.186 12.157 0.057 1.00 0.00 C ATOM 1060 O SER A 68 -12.419 12.924 0.639 1.00 0.00 O ATOM 1061 CB SER A 68 -14.333 14.168 -0.889 1.00 0.00 C ATOM 1062 OG SER A 68 -15.403 14.617 -1.702 1.00 0.00 O ATOM 0 H SER A 68 -15.686 11.412 -1.708 1.00 0.00 H new ATOM 0 HA SER A 68 -13.723 12.444 -1.998 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.529 14.428 0.151 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.414 14.678 -1.177 1.00 0.00 H new ATOM 0 HG SER A 68 -15.505 15.587 -1.602 1.00 0.00 H new ATOM 1068 N VAL A 69 -13.258 10.859 0.315 1.00 0.00 N ATOM 1069 CA VAL A 69 -12.427 10.216 1.319 1.00 0.00 C ATOM 1070 C VAL A 69 -11.015 9.965 0.790 1.00 0.00 C ATOM 1071 O VAL A 69 -10.716 10.274 -0.364 1.00 0.00 O ATOM 1072 CB VAL A 69 -13.090 8.898 1.776 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -13.009 7.832 0.696 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -12.497 8.404 3.087 1.00 0.00 C ATOM 0 H VAL A 69 -13.894 10.223 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 69 -12.337 10.882 2.177 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.145 9.107 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -13.485 6.918 1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.520 8.183 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.964 7.630 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -12.986 7.475 3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.429 8.228 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.651 9.155 3.862 1.00 0.00 H new ATOM 1084 N CYS A 70 -10.144 9.413 1.630 1.00 0.00 N ATOM 1085 CA CYS A 70 -8.769 9.144 1.221 1.00 0.00 C ATOM 1086 C CYS A 70 -8.607 7.722 0.722 1.00 0.00 C ATOM 1087 O CYS A 70 -7.568 7.105 0.903 1.00 0.00 O ATOM 1088 CB CYS A 70 -7.778 9.442 2.356 1.00 0.00 C ATOM 1089 SG CYS A 70 -8.420 9.168 4.044 1.00 0.00 S ATOM 0 H CYS A 70 -10.363 9.145 2.590 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.541 9.816 0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.893 8.821 2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.456 10.480 2.272 1.00 0.00 H new ATOM 1094 N GLY A 71 -9.662 7.234 0.091 1.00 0.00 N ATOM 1095 CA GLY A 71 -9.685 5.908 -0.466 1.00 0.00 C ATOM 1096 C GLY A 71 -8.345 5.482 -1.014 1.00 0.00 C ATOM 1097 O GLY A 71 -7.415 5.173 -0.271 1.00 0.00 O ATOM 0 H GLY A 71 -10.527 7.756 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.000 5.201 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.428 5.866 -1.262 1.00 0.00 H new ATOM 1101 N TYR A 72 -8.253 5.476 -2.320 1.00 0.00 N ATOM 1102 CA TYR A 72 -7.027 5.107 -2.996 1.00 0.00 C ATOM 1103 C TYR A 72 -7.074 5.454 -4.474 1.00 0.00 C ATOM 1104 O TYR A 72 -7.447 4.622 -5.301 1.00 0.00 O ATOM 1105 CB TYR A 72 -6.734 3.629 -2.807 1.00 0.00 C ATOM 1106 CG TYR A 72 -5.350 3.271 -3.257 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -4.243 3.687 -2.535 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -5.149 2.541 -4.412 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -2.968 3.381 -2.955 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -3.882 2.229 -4.839 1.00 0.00 C ATOM 1111 CZ TYR A 72 -2.790 2.651 -4.110 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.519 2.342 -4.535 1.00 0.00 O ATOM 0 H TYR A 72 -9.020 5.725 -2.945 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.220 5.685 -2.546 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.853 3.367 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.461 3.040 -3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.382 4.259 -1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.001 2.211 -4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.113 3.711 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.741 1.655 -5.743 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.370 2.723 -5.426 1.00 0.00 H new ATOM 1122 N PHE A 73 -6.735 6.689 -4.802 1.00 0.00 N ATOM 1123 CA PHE A 73 -6.789 7.124 -6.184 1.00 0.00 C ATOM 1124 C PHE A 73 -5.736 6.419 -7.033 1.00 0.00 C ATOM 1125 O PHE A 73 -4.622 6.905 -7.228 1.00 0.00 O ATOM 1126 CB PHE A 73 -6.631 8.642 -6.281 1.00 0.00 C ATOM 1127 CG PHE A 73 -7.942 9.382 -6.336 1.00 0.00 C ATOM 1128 CD1 PHE A 73 -8.687 9.589 -5.185 1.00 0.00 C ATOM 1129 CD2 PHE A 73 -8.429 9.872 -7.539 1.00 0.00 C ATOM 1130 CE1 PHE A 73 -9.891 10.268 -5.231 1.00 0.00 C ATOM 1131 CE2 PHE A 73 -9.633 10.553 -7.591 1.00 0.00 C ATOM 1132 CZ PHE A 73 -10.364 10.750 -6.436 1.00 0.00 C ATOM 0 H PHE A 73 -6.424 7.399 -4.139 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.769 6.852 -6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.060 8.995 -5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.050 8.882 -7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.322 9.215 -4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.862 9.720 -8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -10.460 10.421 -4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.000 10.930 -8.534 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.304 11.280 -6.475 1.00 0.00 H new ATOM 1142 N HIS A 74 -6.134 5.247 -7.514 1.00 0.00 N ATOM 1143 CA HIS A 74 -5.249 4.433 -8.332 1.00 0.00 C ATOM 1144 C HIS A 74 -5.411 4.784 -9.810 1.00 0.00 C ATOM 1145 O HIS A 74 -6.412 4.440 -10.439 1.00 0.00 O ATOM 1146 CB HIS A 74 -5.517 2.952 -8.057 1.00 0.00 C ATOM 1147 CG HIS A 74 -5.038 2.021 -9.130 1.00 0.00 C ATOM 1148 ND1 HIS A 74 -5.839 1.057 -9.705 1.00 0.00 N ATOM 1149 CD2 HIS A 74 -3.825 1.900 -9.722 1.00 0.00 C ATOM 1150 CE1 HIS A 74 -5.141 0.384 -10.603 1.00 0.00 C ATOM 1151 NE2 HIS A 74 -3.917 0.876 -10.633 1.00 0.00 N ATOM 0 H HIS A 74 -7.057 4.843 -7.352 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.212 4.641 -8.069 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.039 2.678 -7.117 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.589 2.809 -7.922 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -6.818 0.889 -9.473 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.949 2.497 -9.516 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.510 -0.430 -11.209 1.00 0.00 H new ATOM 1160 N ARG A 75 -4.419 5.493 -10.347 1.00 0.00 N ATOM 1161 CA ARG A 75 -4.441 5.925 -11.742 1.00 0.00 C ATOM 1162 C ARG A 75 -3.329 5.260 -12.553 1.00 0.00 C ATOM 1163 O ARG A 75 -2.495 5.942 -13.150 1.00 0.00 O ATOM 1164 CB ARG A 75 -4.288 7.446 -11.814 1.00 0.00 C ATOM 1165 CG ARG A 75 -5.420 8.210 -11.146 1.00 0.00 C ATOM 1166 CD ARG A 75 -6.388 8.781 -12.171 1.00 0.00 C ATOM 1167 NE ARG A 75 -6.684 10.192 -11.920 1.00 0.00 N ATOM 1168 CZ ARG A 75 -5.837 11.185 -12.177 1.00 0.00 C ATOM 1169 NH1 ARG A 75 -4.636 10.931 -12.680 1.00 0.00 N ATOM 1170 NH2 ARG A 75 -6.191 12.440 -11.929 1.00 0.00 N ATOM 0 H ARG A 75 -3.586 5.781 -9.833 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.398 5.626 -12.171 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.345 7.729 -11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.227 7.746 -12.860 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.957 7.547 -10.467 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.008 9.019 -10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.965 8.672 -13.169 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.315 8.208 -12.153 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.594 10.428 -11.524 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.357 9.969 -12.872 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.992 11.698 -12.874 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.112 12.643 -11.541 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.542 13.201 -12.126 1.00 0.00 H new ATOM 1184 N SER A 76 -3.314 3.930 -12.573 1.00 0.00 N ATOM 1185 CA SER A 76 -2.291 3.200 -13.316 1.00 0.00 C ATOM 1186 C SER A 76 -2.899 2.302 -14.396 1.00 0.00 C ATOM 1187 O SER A 76 -3.681 1.398 -14.101 1.00 0.00 O ATOM 1188 CB SER A 76 -1.435 2.359 -12.363 1.00 0.00 C ATOM 1189 OG SER A 76 -0.248 3.044 -12.011 1.00 0.00 O ATOM 0 H SER A 76 -3.991 3.341 -12.089 1.00 0.00 H new ATOM 0 HA SER A 76 -1.663 3.940 -13.811 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.006 2.127 -11.464 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.185 1.409 -12.835 1.00 0.00 H new ATOM 0 HG SER A 76 0.242 2.526 -11.339 1.00 0.00 H new ATOM 1195 N HIS A 77 -2.509 2.549 -15.645 1.00 0.00 N ATOM 1196 CA HIS A 77 -2.985 1.754 -16.781 1.00 0.00 C ATOM 1197 C HIS A 77 -2.299 0.391 -16.770 1.00 0.00 C ATOM 1198 O HIS A 77 -2.935 -0.656 -16.881 1.00 0.00 O ATOM 1199 CB HIS A 77 -2.679 2.481 -18.095 1.00 0.00 C ATOM 1200 CG HIS A 77 -1.267 2.988 -18.185 1.00 0.00 C ATOM 1201 ND1 HIS A 77 -0.243 2.266 -18.762 1.00 0.00 N ATOM 1202 CD2 HIS A 77 -0.709 4.145 -17.754 1.00 0.00 C ATOM 1203 CE1 HIS A 77 0.882 2.955 -18.680 1.00 0.00 C ATOM 1204 NE2 HIS A 77 0.627 4.098 -18.073 1.00 0.00 N ATOM 0 H HIS A 77 -1.862 3.296 -15.899 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.063 1.617 -16.698 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.867 1.804 -18.928 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -3.366 3.320 -18.205 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.219 4.954 -17.253 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.846 2.636 -19.048 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.310 4.828 -17.873 1.00 0.00 H new ATOM 1213 N ASN A 78 -0.982 0.447 -16.669 1.00 0.00 N ATOM 1214 CA ASN A 78 -0.159 -0.753 -16.680 1.00 0.00 C ATOM 1215 C ASN A 78 -0.408 -1.613 -15.447 1.00 0.00 C ATOM 1216 O ASN A 78 0.014 -1.257 -14.347 1.00 0.00 O ATOM 1217 CB ASN A 78 1.319 -0.363 -16.754 1.00 0.00 C ATOM 1218 CG ASN A 78 2.162 -1.390 -17.483 1.00 0.00 C ATOM 1219 OD1 ASN A 78 2.647 -2.351 -16.885 1.00 0.00 O ATOM 1220 ND2 ASN A 78 2.347 -1.190 -18.783 1.00 0.00 N ATOM 0 H ASN A 78 -0.456 1.316 -16.578 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.429 -1.341 -17.557 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.411 0.599 -17.257 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.707 -0.233 -15.744 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.909 -1.846 -19.325 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.927 -0.380 -19.239 1.00 0.00 H new ATOM 1227 N ARG A 79 -1.085 -2.756 -15.620 1.00 0.00 N ATOM 1228 CA ARG A 79 -1.371 -3.670 -14.517 1.00 0.00 C ATOM 1229 C ARG A 79 -0.122 -4.484 -14.169 1.00 0.00 C ATOM 1230 O ARG A 79 -0.052 -5.125 -13.122 1.00 0.00 O ATOM 1231 CB ARG A 79 -2.557 -4.582 -14.860 1.00 0.00 C ATOM 1232 CG ARG A 79 -2.540 -5.122 -16.280 1.00 0.00 C ATOM 1233 CD ARG A 79 -3.448 -6.334 -16.425 1.00 0.00 C ATOM 1234 NE ARG A 79 -4.779 -6.094 -15.865 1.00 0.00 N ATOM 1235 CZ ARG A 79 -5.921 -6.382 -16.493 1.00 0.00 C ATOM 1236 NH1 ARG A 79 -5.911 -6.913 -17.710 1.00 0.00 N ATOM 1237 NH2 ARG A 79 -7.081 -6.135 -15.898 1.00 0.00 N ATOM 0 H ARG A 79 -1.445 -3.067 -16.522 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.650 -3.086 -13.640 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.568 -5.421 -14.165 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.483 -4.028 -14.705 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.859 -4.342 -16.971 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.521 -5.394 -16.555 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.540 -6.593 -17.480 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.993 -7.189 -15.925 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.838 -5.680 -14.935 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.024 -7.105 -18.175 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.790 -7.129 -18.180 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.098 -5.726 -14.964 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.956 -6.354 -16.375 1.00 0.00 H new ATOM 1251 N SER A 80 0.869 -4.414 -15.055 1.00 0.00 N ATOM 1252 CA SER A 80 2.153 -5.093 -14.879 1.00 0.00 C ATOM 1253 C SER A 80 3.122 -4.120 -14.235 1.00 0.00 C ATOM 1254 O SER A 80 4.270 -4.491 -13.994 1.00 0.00 O ATOM 1255 CB SER A 80 2.709 -5.509 -16.242 1.00 0.00 C ATOM 1256 OG SER A 80 1.730 -6.171 -17.021 1.00 0.00 O ATOM 0 H SER A 80 0.804 -3.881 -15.922 1.00 0.00 H new ATOM 0 HA SER A 80 2.021 -5.978 -14.256 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.065 -4.628 -16.775 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.568 -6.165 -16.101 1.00 0.00 H new ATOM 0 HG SER A 80 2.115 -6.422 -17.886 1.00 0.00 H new ATOM 1262 N GLU A 81 2.700 -2.918 -13.889 1.00 0.00 N ATOM 1263 CA GLU A 81 3.622 -2.027 -13.218 1.00 0.00 C ATOM 1264 C GLU A 81 3.664 -2.326 -11.719 1.00 0.00 C ATOM 1265 O GLU A 81 2.630 -2.334 -11.048 1.00 0.00 O ATOM 1266 CB GLU A 81 3.289 -0.558 -13.458 1.00 0.00 C ATOM 1267 CG GLU A 81 4.482 0.360 -13.238 1.00 0.00 C ATOM 1268 CD GLU A 81 5.430 0.381 -14.423 1.00 0.00 C ATOM 1269 OE1 GLU A 81 6.283 -0.528 -14.517 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.322 1.307 -15.254 1.00 0.00 O ATOM 0 H GLU A 81 1.764 -2.548 -14.053 1.00 0.00 H new ATOM 0 HA GLU A 81 4.608 -2.208 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.925 -0.435 -14.478 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.479 -0.260 -12.792 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.126 1.372 -13.045 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.025 0.038 -12.349 1.00 0.00 H new ATOM 1277 N GLU A 82 4.860 -2.564 -11.202 1.00 0.00 N ATOM 1278 CA GLU A 82 5.062 -2.862 -9.787 1.00 0.00 C ATOM 1279 C GLU A 82 4.720 -1.622 -8.966 1.00 0.00 C ATOM 1280 O GLU A 82 4.512 -0.549 -9.531 1.00 0.00 O ATOM 1281 CB GLU A 82 6.500 -3.320 -9.525 1.00 0.00 C ATOM 1282 CG GLU A 82 6.626 -4.326 -8.391 1.00 0.00 C ATOM 1283 CD GLU A 82 8.024 -4.373 -7.807 1.00 0.00 C ATOM 1284 OE1 GLU A 82 8.559 -3.299 -7.461 1.00 0.00 O ATOM 1285 OE2 GLU A 82 8.585 -5.483 -7.696 1.00 0.00 O ATOM 0 H GLU A 82 5.720 -2.557 -11.750 1.00 0.00 H new ATOM 0 HA GLU A 82 4.405 -3.680 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.903 -3.762 -10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.113 -2.449 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.916 -4.072 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.355 -5.316 -8.757 1.00 0.00 H new ATOM 1292 N PHE A 83 4.646 -1.753 -7.643 1.00 0.00 N ATOM 1293 CA PHE A 83 4.308 -0.616 -6.790 1.00 0.00 C ATOM 1294 C PHE A 83 4.827 -0.761 -5.361 1.00 0.00 C ATOM 1295 O PHE A 83 5.361 -1.791 -4.972 1.00 0.00 O ATOM 1296 CB PHE A 83 2.799 -0.353 -6.763 1.00 0.00 C ATOM 1297 CG PHE A 83 2.355 0.665 -7.770 1.00 0.00 C ATOM 1298 CD1 PHE A 83 2.529 2.010 -7.503 1.00 0.00 C ATOM 1299 CD2 PHE A 83 1.774 0.294 -8.973 1.00 0.00 C ATOM 1300 CE1 PHE A 83 2.134 2.968 -8.409 1.00 0.00 C ATOM 1301 CE2 PHE A 83 1.379 1.253 -9.887 1.00 0.00 C ATOM 1302 CZ PHE A 83 1.559 2.592 -9.602 1.00 0.00 C ATOM 0 H PHE A 83 4.814 -2.626 -7.143 1.00 0.00 H new ATOM 0 HA PHE A 83 4.812 0.239 -7.240 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.271 -1.289 -6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.514 -0.016 -5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.981 2.314 -6.570 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.629 -0.752 -9.198 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.275 4.015 -8.184 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.930 0.955 -10.823 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.249 3.343 -10.314 1.00 0.00 H new ATOM 1312 N LEU A 84 4.620 0.306 -4.599 1.00 0.00 N ATOM 1313 CA LEU A 84 5.008 0.365 -3.191 1.00 0.00 C ATOM 1314 C LEU A 84 3.774 0.689 -2.343 1.00 0.00 C ATOM 1315 O LEU A 84 3.090 1.684 -2.583 1.00 0.00 O ATOM 1316 CB LEU A 84 6.122 1.404 -2.983 1.00 0.00 C ATOM 1317 CG LEU A 84 6.641 1.568 -1.550 1.00 0.00 C ATOM 1318 CD1 LEU A 84 5.702 2.438 -0.732 1.00 0.00 C ATOM 1319 CD2 LEU A 84 6.852 0.220 -0.878 1.00 0.00 C ATOM 0 H LEU A 84 4.177 1.159 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 84 5.403 -0.601 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.963 1.136 -3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.756 2.371 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 84 7.609 2.066 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.091 2.540 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.625 3.423 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.715 1.976 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.220 0.373 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.906 -0.321 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.581 -0.359 -1.445 1.00 0.00 H new ATOM 1331 N ILE A 85 3.467 -0.184 -1.386 1.00 0.00 N ATOM 1332 CA ILE A 85 2.265 0.019 -0.563 1.00 0.00 C ATOM 1333 C ILE A 85 2.550 0.012 0.950 1.00 0.00 C ATOM 1334 O ILE A 85 2.702 -1.040 1.555 1.00 0.00 O ATOM 1335 CB ILE A 85 1.208 -1.050 -0.912 1.00 0.00 C ATOM 1336 CG1 ILE A 85 0.813 -0.918 -2.385 1.00 0.00 C ATOM 1337 CG2 ILE A 85 -0.021 -0.918 -0.020 1.00 0.00 C ATOM 1338 CD1 ILE A 85 -0.005 -2.080 -2.905 1.00 0.00 C ATOM 0 H ILE A 85 4.012 -1.017 -1.161 1.00 0.00 H new ATOM 0 HA ILE A 85 1.887 1.014 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 85 1.640 -2.036 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.245 0.003 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.717 -0.824 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.749 -1.684 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.271 -1.044 1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.465 0.068 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.246 -1.914 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.568 -3.002 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.927 -2.162 -2.329 1.00 0.00 H new ATOM 1350 N ALA A 86 2.471 1.208 1.549 1.00 0.00 N ATOM 1351 CA ALA A 86 2.571 1.380 3.015 1.00 0.00 C ATOM 1352 C ALA A 86 1.136 1.391 3.581 1.00 0.00 C ATOM 1353 O ALA A 86 0.335 2.270 3.257 1.00 0.00 O ATOM 1354 CB ALA A 86 3.309 2.661 3.369 1.00 0.00 C ATOM 0 H ALA A 86 2.337 2.082 1.040 1.00 0.00 H new ATOM 0 HA ALA A 86 3.143 0.561 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.367 2.760 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.316 2.627 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.774 3.516 2.955 1.00 0.00 H new ATOM 1360 N GLY A 87 0.840 0.417 4.462 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.475 0.331 5.110 1.00 0.00 C ATOM 1362 C GLY A 87 -0.568 -0.756 6.198 1.00 0.00 C ATOM 1363 O GLY A 87 0.031 -1.816 6.082 1.00 0.00 O ATOM 0 H GLY A 87 1.493 -0.317 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.713 1.297 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.231 0.135 4.350 1.00 0.00 H new ATOM 1367 N LYS A 88 -1.338 -0.489 7.255 1.00 0.00 N ATOM 1368 CA LYS A 88 -1.534 -1.440 8.357 1.00 0.00 C ATOM 1369 C LYS A 88 -2.592 -2.473 7.984 1.00 0.00 C ATOM 1370 O LYS A 88 -3.233 -2.352 6.940 1.00 0.00 O ATOM 1371 CB LYS A 88 -1.952 -0.705 9.638 1.00 0.00 C ATOM 1372 CG LYS A 88 -0.925 0.303 10.106 1.00 0.00 C ATOM 1373 CD LYS A 88 -1.524 1.402 10.951 1.00 0.00 C ATOM 1374 CE LYS A 88 -1.675 2.683 10.148 1.00 0.00 C ATOM 1375 NZ LYS A 88 -2.621 3.638 10.782 1.00 0.00 N ATOM 0 H LYS A 88 -1.843 0.389 7.373 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.588 -1.950 8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.900 -0.195 9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.123 -1.435 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.154 -0.211 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.435 0.745 9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.497 1.087 11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.891 1.585 11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.700 3.158 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.025 2.441 9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.691 4.496 10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.559 3.196 10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.276 3.891 11.730 1.00 0.00 H new ATOM 1389 N LEU A 89 -2.801 -3.480 8.836 1.00 0.00 N ATOM 1390 CA LEU A 89 -3.821 -4.507 8.561 1.00 0.00 C ATOM 1391 C LEU A 89 -4.976 -4.458 9.560 1.00 0.00 C ATOM 1392 O LEU A 89 -4.765 -4.557 10.769 1.00 0.00 O ATOM 1393 CB LEU A 89 -3.219 -5.920 8.580 1.00 0.00 C ATOM 1394 CG LEU A 89 -2.757 -6.473 7.227 1.00 0.00 C ATOM 1395 CD1 LEU A 89 -2.296 -7.918 7.375 1.00 0.00 C ATOM 1396 CD2 LEU A 89 -3.862 -6.383 6.203 1.00 0.00 C ATOM 0 H LEU A 89 -2.290 -3.610 9.709 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.204 -4.284 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.367 -5.921 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.960 -6.603 8.995 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.919 -5.868 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.971 -8.297 6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.466 -7.965 8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.121 -8.527 7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.510 -6.781 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.721 -6.961 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.154 -5.341 6.074 1.00 0.00 H new ATOM 1408 N GLN A 90 -6.201 -4.334 9.047 1.00 0.00 N ATOM 1409 CA GLN A 90 -7.390 -4.312 9.891 1.00 0.00 C ATOM 1410 C GLN A 90 -8.039 -5.689 9.919 1.00 0.00 C ATOM 1411 O GLN A 90 -8.569 -6.159 8.911 1.00 0.00 O ATOM 1412 CB GLN A 90 -8.373 -3.244 9.423 1.00 0.00 C ATOM 1413 CG GLN A 90 -8.126 -1.877 10.051 1.00 0.00 C ATOM 1414 CD GLN A 90 -6.912 -1.173 9.473 1.00 0.00 C ATOM 1415 OE1 GLN A 90 -6.198 -1.726 8.636 1.00 0.00 O ATOM 1416 NE2 GLN A 90 -6.671 0.056 9.920 1.00 0.00 N ATOM 0 H GLN A 90 -6.393 -4.247 8.049 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.091 -4.055 10.907 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.311 -3.154 8.338 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.387 -3.566 9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.006 -1.251 9.905 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.994 -1.995 11.126 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.289 0.476 10.614 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.868 0.578 9.569 1.00 0.00 H new ATOM 1425 N ASP A 91 -8.009 -6.315 11.092 1.00 0.00 N ATOM 1426 CA ASP A 91 -8.616 -7.636 11.269 1.00 0.00 C ATOM 1427 C ASP A 91 -8.322 -8.556 10.090 1.00 0.00 C ATOM 1428 O ASP A 91 -9.109 -9.446 9.772 1.00 0.00 O ATOM 1429 CB ASP A 91 -10.125 -7.500 11.453 1.00 0.00 C ATOM 1430 CG ASP A 91 -10.504 -7.179 12.884 1.00 0.00 C ATOM 1431 OD1 ASP A 91 -10.578 -5.981 13.225 1.00 0.00 O ATOM 1432 OD2 ASP A 91 -10.723 -8.129 13.666 1.00 0.00 O ATOM 0 H ASP A 91 -7.574 -5.933 11.932 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.177 -8.083 12.161 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.499 -6.715 10.796 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.611 -8.428 11.150 1.00 0.00 H new ATOM 1437 N GLY A 92 -7.188 -8.328 9.444 1.00 0.00 N ATOM 1438 CA GLY A 92 -6.822 -9.141 8.312 1.00 0.00 C ATOM 1439 C GLY A 92 -6.556 -8.326 7.068 1.00 0.00 C ATOM 1440 O GLY A 92 -5.536 -8.506 6.410 1.00 0.00 O ATOM 0 H GLY A 92 -6.519 -7.596 9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.932 -9.720 8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.621 -9.855 8.110 1.00 0.00 H new ATOM 1444 N LEU A 93 -7.539 -7.509 6.688 1.00 0.00 N ATOM 1445 CA LEU A 93 -7.479 -6.731 5.451 1.00 0.00 C ATOM 1446 C LEU A 93 -6.574 -5.512 5.529 1.00 0.00 C ATOM 1447 O LEU A 93 -6.454 -4.868 6.570 1.00 0.00 O ATOM 1448 CB LEU A 93 -8.891 -6.296 5.081 1.00 0.00 C ATOM 1449 CG LEU A 93 -9.891 -7.444 4.983 1.00 0.00 C ATOM 1450 CD1 LEU A 93 -11.303 -6.915 4.786 1.00 0.00 C ATOM 1451 CD2 LEU A 93 -9.493 -8.382 3.854 1.00 0.00 C ATOM 0 H LEU A 93 -8.394 -7.369 7.226 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.045 -7.378 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.246 -5.582 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.860 -5.773 4.125 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.878 -8.004 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.999 -7.751 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -11.576 -6.283 5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.348 -6.331 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.211 -9.199 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.482 -7.834 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.500 -8.786 4.050 1.00 0.00 H new ATOM 1463 N LEU A 94 -5.969 -5.197 4.387 1.00 0.00 N ATOM 1464 CA LEU A 94 -5.082 -4.049 4.261 1.00 0.00 C ATOM 1465 C LEU A 94 -5.876 -2.761 4.279 1.00 0.00 C ATOM 1466 O LEU A 94 -7.043 -2.734 3.900 1.00 0.00 O ATOM 1467 CB LEU A 94 -4.251 -4.111 2.980 1.00 0.00 C ATOM 1468 CG LEU A 94 -3.244 -2.968 2.805 1.00 0.00 C ATOM 1469 CD1 LEU A 94 -2.235 -2.958 3.945 1.00 0.00 C ATOM 1470 CD2 LEU A 94 -2.530 -3.086 1.467 1.00 0.00 C ATOM 0 H LEU A 94 -6.081 -5.731 3.525 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.403 -4.075 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.711 -5.057 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.928 -4.113 2.126 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.792 -2.026 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.530 -2.139 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.757 -2.824 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.694 -3.904 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.819 -2.266 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.998 -4.036 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.261 -3.040 0.659 1.00 0.00 H new ATOM 1482 N HIS A 95 -5.217 -1.689 4.665 1.00 0.00 N ATOM 1483 CA HIS A 95 -5.854 -0.389 4.674 1.00 0.00 C ATOM 1484 C HIS A 95 -4.903 0.651 4.123 1.00 0.00 C ATOM 1485 O HIS A 95 -3.702 0.610 4.389 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.357 -0.018 6.066 1.00 0.00 C ATOM 1487 CG HIS A 95 -7.632 -0.719 6.435 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -7.982 -2.026 6.360 1.00 0.00 N flip ATOM 1489 CD2 HIS A 95 -8.739 -0.059 6.929 1.00 0.00 C flip ATOM 1490 CE1 HIS A 95 -9.278 -2.126 6.800 1.00 0.00 C flip ATOM 1491 NE2 HIS A 95 -9.711 -0.929 7.140 1.00 0.00 N flip ATOM 0 H HIS A 95 -4.245 -1.691 4.975 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.732 -0.428 4.030 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.589 -0.261 6.801 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.514 1.060 6.114 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.801 1.003 7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.851 -3.040 6.858 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.639 -0.711 7.504 1.00 0.00 H new ATOM 1500 N ILE A 96 -5.441 1.569 3.337 1.00 0.00 N ATOM 1501 CA ILE A 96 -4.617 2.606 2.726 1.00 0.00 C ATOM 1502 C ILE A 96 -5.391 3.876 2.478 1.00 0.00 C ATOM 1503 O ILE A 96 -6.614 3.914 2.593 1.00 0.00 O ATOM 1504 CB ILE A 96 -4.019 2.154 1.380 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -4.996 1.246 0.638 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -2.690 1.455 1.593 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -5.119 -0.125 1.258 1.00 0.00 C ATOM 0 H ILE A 96 -6.433 1.620 3.107 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.818 2.794 3.443 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.843 3.038 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.978 1.718 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.671 1.142 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.284 1.144 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.993 2.139 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.837 0.579 2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.828 -0.722 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.145 -0.615 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.473 -0.030 2.285 1.00 0.00 H new ATOM 1519 N THR A 97 -4.656 4.922 2.154 1.00 0.00 N ATOM 1520 CA THR A 97 -5.252 6.211 1.902 1.00 0.00 C ATOM 1521 C THR A 97 -4.372 7.042 0.978 1.00 0.00 C ATOM 1522 O THR A 97 -3.156 6.858 0.934 1.00 0.00 O ATOM 1523 CB THR A 97 -5.451 6.932 3.238 1.00 0.00 C ATOM 1524 OG1 THR A 97 -4.310 6.768 4.060 1.00 0.00 O ATOM 1525 CG2 THR A 97 -6.643 6.426 4.019 1.00 0.00 C ATOM 0 H THR A 97 -3.641 4.900 2.060 1.00 0.00 H new ATOM 0 HA THR A 97 -6.215 6.074 1.410 1.00 0.00 H new ATOM 0 HB THR A 97 -5.619 7.978 2.983 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.752 7.572 4.010 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.726 6.979 4.955 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.550 6.568 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.513 5.366 4.235 1.00 0.00 H new ATOM 1533 N THR A 98 -4.989 7.975 0.258 1.00 0.00 N ATOM 1534 CA THR A 98 -4.244 8.851 -0.644 1.00 0.00 C ATOM 1535 C THR A 98 -3.383 9.842 0.151 1.00 0.00 C ATOM 1536 O THR A 98 -2.697 10.687 -0.424 1.00 0.00 O ATOM 1537 CB THR A 98 -5.178 9.577 -1.618 1.00 0.00 C ATOM 1538 OG1 THR A 98 -4.574 10.764 -2.110 1.00 0.00 O ATOM 1539 CG2 THR A 98 -6.521 9.941 -1.022 1.00 0.00 C ATOM 0 H THR A 98 -5.995 8.144 0.280 1.00 0.00 H new ATOM 0 HA THR A 98 -3.577 8.229 -1.241 1.00 0.00 H new ATOM 0 HB THR A 98 -5.353 8.865 -2.425 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.618 10.759 -1.893 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.125 10.452 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.033 9.035 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.373 10.599 -0.166 1.00 0.00 H new ATOM 1547 N CYS A 99 -3.386 9.686 1.478 1.00 0.00 N ATOM 1548 CA CYS A 99 -2.571 10.509 2.361 1.00 0.00 C ATOM 1549 C CYS A 99 -1.604 9.615 3.132 1.00 0.00 C ATOM 1550 O CYS A 99 -1.010 10.016 4.129 1.00 0.00 O ATOM 1551 CB CYS A 99 -3.418 11.365 3.308 1.00 0.00 C ATOM 1552 SG CYS A 99 -2.429 12.401 4.421 1.00 0.00 S ATOM 0 H CYS A 99 -3.951 8.989 1.963 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.004 11.210 1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.076 12.003 2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.057 10.712 3.903 1.00 0.00 H new ATOM 1557 N SER A 100 -1.429 8.403 2.612 1.00 0.00 N ATOM 1558 CA SER A 100 -0.505 7.429 3.167 1.00 0.00 C ATOM 1559 C SER A 100 0.591 7.214 2.135 1.00 0.00 C ATOM 1560 O SER A 100 0.363 7.453 0.949 1.00 0.00 O ATOM 1561 CB SER A 100 -1.216 6.110 3.470 1.00 0.00 C ATOM 1562 OG SER A 100 -0.505 5.358 4.437 1.00 0.00 O ATOM 0 H SER A 100 -1.930 8.071 1.788 1.00 0.00 H new ATOM 0 HA SER A 100 -0.090 7.793 4.107 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.225 6.312 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.316 5.528 2.554 1.00 0.00 H new ATOM 0 HG SER A 100 -0.981 4.520 4.615 1.00 0.00 H new ATOM 1568 N PHE A 101 1.769 6.780 2.549 1.00 0.00 N ATOM 1569 CA PHE A 101 2.829 6.578 1.574 1.00 0.00 C ATOM 1570 C PHE A 101 2.498 5.412 0.650 1.00 0.00 C ATOM 1571 O PHE A 101 2.602 4.250 1.040 1.00 0.00 O ATOM 1572 CB PHE A 101 4.181 6.358 2.229 1.00 0.00 C ATOM 1573 CG PHE A 101 5.322 6.521 1.271 1.00 0.00 C ATOM 1574 CD1 PHE A 101 5.745 5.463 0.481 1.00 0.00 C ATOM 1575 CD2 PHE A 101 5.967 7.739 1.153 1.00 0.00 C ATOM 1576 CE1 PHE A 101 6.795 5.621 -0.405 1.00 0.00 C ATOM 1577 CE2 PHE A 101 7.017 7.902 0.269 1.00 0.00 C ATOM 1578 CZ PHE A 101 7.432 6.842 -0.511 1.00 0.00 C ATOM 0 H PHE A 101 2.012 6.567 3.516 1.00 0.00 H new ATOM 0 HA PHE A 101 2.895 7.493 0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.300 7.062 3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.213 5.357 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.250 4.506 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.646 8.573 1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.117 4.789 -1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.512 8.858 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.252 6.967 -1.202 1.00 0.00 H new ATOM 1588 N VAL A 102 2.102 5.730 -0.580 1.00 0.00 N ATOM 1589 CA VAL A 102 1.761 4.702 -1.561 1.00 0.00 C ATOM 1590 C VAL A 102 2.072 5.164 -2.982 1.00 0.00 C ATOM 1591 O VAL A 102 1.368 6.010 -3.538 1.00 0.00 O ATOM 1592 CB VAL A 102 0.276 4.292 -1.494 1.00 0.00 C ATOM 1593 CG1 VAL A 102 0.077 2.975 -2.221 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -0.220 4.186 -0.055 1.00 0.00 C ATOM 0 H VAL A 102 2.009 6.687 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 102 2.375 3.838 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.311 5.070 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.973 2.688 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.375 3.086 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.687 2.204 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.270 3.895 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.365 3.436 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.110 5.151 0.440 1.00 0.00 H new ATOM 1604 N ALA A 103 3.126 4.604 -3.565 1.00 0.00 N ATOM 1605 CA ALA A 103 3.528 4.958 -4.929 1.00 0.00 C ATOM 1606 C ALA A 103 4.459 3.898 -5.527 1.00 0.00 C ATOM 1607 O ALA A 103 4.836 2.950 -4.847 1.00 0.00 O ATOM 1608 CB ALA A 103 4.196 6.326 -4.934 1.00 0.00 C ATOM 0 H ALA A 103 3.719 3.904 -3.119 1.00 0.00 H new ATOM 0 HA ALA A 103 2.634 4.998 -5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.492 6.583 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.497 7.074 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.078 6.302 -4.294 1.00 0.00 H new ATOM 1614 N PRO A 104 4.842 4.035 -6.815 1.00 0.00 N ATOM 1615 CA PRO A 104 5.735 3.075 -7.487 1.00 0.00 C ATOM 1616 C PRO A 104 7.046 2.863 -6.791 1.00 0.00 C ATOM 1617 O PRO A 104 7.736 3.823 -6.451 1.00 0.00 O ATOM 1618 CB PRO A 104 6.064 3.750 -8.815 1.00 0.00 C ATOM 1619 CG PRO A 104 4.901 4.637 -9.083 1.00 0.00 C ATOM 1620 CD PRO A 104 4.439 5.125 -7.730 1.00 0.00 C ATOM 0 HA PRO A 104 5.242 2.104 -7.538 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.991 4.320 -8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.195 3.017 -9.611 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.185 5.471 -9.724 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.106 4.096 -9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.911 6.070 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.362 5.289 -7.709 1.00 0.00 H new ATOM 1628 N TRP A 105 7.445 1.612 -6.656 1.00 0.00 N ATOM 1629 CA TRP A 105 8.739 1.309 -6.106 1.00 0.00 C ATOM 1630 C TRP A 105 9.732 1.895 -7.062 1.00 0.00 C ATOM 1631 O TRP A 105 10.703 2.555 -6.701 1.00 0.00 O ATOM 1632 CB TRP A 105 8.923 -0.201 -6.098 1.00 0.00 C ATOM 1633 CG TRP A 105 10.193 -0.669 -5.493 1.00 0.00 C ATOM 1634 CD1 TRP A 105 11.221 -1.279 -6.141 1.00 0.00 C ATOM 1635 CD2 TRP A 105 10.565 -0.589 -4.119 1.00 0.00 C ATOM 1636 NE1 TRP A 105 12.216 -1.584 -5.255 1.00 0.00 N ATOM 1637 CE2 TRP A 105 11.838 -1.168 -4.005 1.00 0.00 C ATOM 1638 CE3 TRP A 105 9.945 -0.081 -2.973 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 12.502 -1.255 -2.788 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 10.610 -0.168 -1.767 1.00 0.00 C ATOM 1641 CH2 TRP A 105 11.874 -0.752 -1.687 1.00 0.00 C ATOM 0 H TRP A 105 6.890 0.798 -6.920 1.00 0.00 H new ATOM 0 HA TRP A 105 8.854 1.698 -5.094 1.00 0.00 H new ATOM 0 HB2 TRP A 105 8.091 -0.651 -5.556 1.00 0.00 H new ATOM 0 HB3 TRP A 105 8.870 -0.565 -7.124 1.00 0.00 H new ATOM 0 HD1 TRP A 105 11.247 -1.491 -7.200 1.00 0.00 H new ATOM 0 HE1 TRP A 105 13.096 -2.046 -5.486 1.00 0.00 H new ATOM 0 HE3 TRP A 105 8.966 0.370 -3.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 13.481 -1.705 -2.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 10.145 0.221 -0.873 1.00 0.00 H new ATOM 0 HH2 TRP A 105 12.368 -0.807 -0.728 1.00 0.00 H new ATOM 1652 N ASN A 106 9.460 1.586 -8.316 1.00 0.00 N ATOM 1653 CA ASN A 106 10.284 2.002 -9.401 1.00 0.00 C ATOM 1654 C ASN A 106 10.573 3.510 -9.391 1.00 0.00 C ATOM 1655 O ASN A 106 11.495 3.972 -10.064 1.00 0.00 O ATOM 1656 CB ASN A 106 9.702 1.540 -10.736 1.00 0.00 C ATOM 1657 CG ASN A 106 9.970 0.064 -10.977 1.00 0.00 C ATOM 1658 OD1 ASN A 106 10.943 -0.303 -11.635 1.00 0.00 O ATOM 1659 ND2 ASN A 106 9.109 -0.791 -10.433 1.00 0.00 N ATOM 0 H ASN A 106 8.650 1.034 -8.597 1.00 0.00 H new ATOM 0 HA ASN A 106 11.251 1.516 -9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.628 1.723 -10.749 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.135 2.127 -11.546 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.242 -1.795 -10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.316 -0.443 -9.895 1.00 0.00 H new ATOM 1666 N SER A 107 9.802 4.270 -8.614 1.00 0.00 N ATOM 1667 CA SER A 107 10.014 5.715 -8.510 1.00 0.00 C ATOM 1668 C SER A 107 10.800 6.055 -7.251 1.00 0.00 C ATOM 1669 O SER A 107 11.304 7.165 -7.081 1.00 0.00 O ATOM 1670 CB SER A 107 8.680 6.460 -8.538 1.00 0.00 C ATOM 1671 OG SER A 107 8.099 6.426 -9.832 1.00 0.00 O ATOM 0 H SER A 107 9.030 3.913 -8.051 1.00 0.00 H new ATOM 0 HA SER A 107 10.600 6.037 -9.371 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.995 6.012 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.832 7.495 -8.232 1.00 0.00 H new ATOM 0 HG SER A 107 7.246 6.909 -9.820 1.00 0.00 H new ATOM 1677 N LEU A 108 10.888 5.073 -6.385 1.00 0.00 N ATOM 1678 CA LEU A 108 11.594 5.187 -5.131 1.00 0.00 C ATOM 1679 C LEU A 108 13.098 5.191 -5.328 1.00 0.00 C ATOM 1680 O LEU A 108 13.612 4.691 -6.328 1.00 0.00 O ATOM 1681 CB LEU A 108 11.185 4.032 -4.244 1.00 0.00 C ATOM 1682 CG LEU A 108 10.030 4.309 -3.277 1.00 0.00 C ATOM 1683 CD1 LEU A 108 8.934 5.135 -3.936 1.00 0.00 C ATOM 1684 CD2 LEU A 108 9.470 3.003 -2.749 1.00 0.00 C ATOM 0 H LEU A 108 10.464 4.157 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 108 11.332 6.137 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.908 3.191 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.053 3.720 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 108 10.421 4.892 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.131 5.312 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.345 6.090 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.540 4.595 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.649 3.210 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.104 2.401 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.254 2.457 -2.224 1.00 0.00 H new ATOM 1696 N SER A 109 13.794 5.728 -4.342 1.00 0.00 N ATOM 1697 CA SER A 109 15.232 5.769 -4.371 1.00 0.00 C ATOM 1698 C SER A 109 15.757 4.369 -4.278 1.00 0.00 C ATOM 1699 O SER A 109 15.174 3.499 -3.653 1.00 0.00 O ATOM 1700 CB SER A 109 15.772 6.653 -3.243 1.00 0.00 C ATOM 1701 OG SER A 109 14.927 7.769 -3.022 1.00 0.00 O ATOM 0 H SER A 109 13.376 6.143 -3.509 1.00 0.00 H new ATOM 0 HA SER A 109 15.571 6.211 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.855 6.069 -2.327 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.775 6.997 -3.494 1.00 0.00 H new ATOM 0 HG SER A 109 15.292 8.317 -2.296 1.00 0.00 H new ATOM 1707 N LEU A 110 16.898 4.214 -4.858 1.00 0.00 N ATOM 1708 CA LEU A 110 17.619 2.973 -4.852 1.00 0.00 C ATOM 1709 C LEU A 110 18.072 2.628 -3.450 1.00 0.00 C ATOM 1710 O LEU A 110 18.168 1.460 -3.071 1.00 0.00 O ATOM 1711 CB LEU A 110 18.792 3.091 -5.816 1.00 0.00 C ATOM 1712 CG LEU A 110 19.519 4.456 -5.916 1.00 0.00 C ATOM 1713 CD1 LEU A 110 19.284 5.072 -7.287 1.00 0.00 C ATOM 1714 CD2 LEU A 110 19.128 5.446 -4.832 1.00 0.00 C ATOM 0 H LEU A 110 17.373 4.962 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 110 16.973 2.159 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.530 2.339 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.433 2.830 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 110 20.578 4.245 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.799 6.031 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.669 4.404 -8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.215 5.223 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 110 19.680 6.375 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.058 5.647 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.365 5.027 -3.854 1.00 0.00 H new ATOM 1726 N ALA A 111 18.311 3.669 -2.686 1.00 0.00 N ATOM 1727 CA ALA A 111 18.716 3.555 -1.311 1.00 0.00 C ATOM 1728 C ALA A 111 17.499 3.403 -0.443 1.00 0.00 C ATOM 1729 O ALA A 111 17.489 2.645 0.520 1.00 0.00 O ATOM 1730 CB ALA A 111 19.522 4.770 -0.941 1.00 0.00 C ATOM 0 H ALA A 111 18.227 4.632 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 111 19.340 2.673 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 111 19.835 4.696 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 111 20.402 4.832 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 111 18.913 5.665 -1.074 1.00 0.00 H new ATOM 1736 N GLN A 112 16.460 4.119 -0.804 1.00 0.00 N ATOM 1737 CA GLN A 112 15.207 4.065 -0.095 1.00 0.00 C ATOM 1738 C GLN A 112 14.377 2.933 -0.645 1.00 0.00 C ATOM 1739 O GLN A 112 13.325 2.586 -0.116 1.00 0.00 O ATOM 1740 CB GLN A 112 14.462 5.389 -0.292 1.00 0.00 C ATOM 1741 CG GLN A 112 13.058 5.396 0.271 1.00 0.00 C ATOM 1742 CD GLN A 112 12.362 6.729 0.078 1.00 0.00 C ATOM 1743 OE1 GLN A 112 11.213 6.708 -0.587 1.00 0.00 O flip ATOM 1744 NE2 GLN A 112 12.853 7.768 0.520 1.00 0.00 N flip ATOM 0 H GLN A 112 16.462 4.757 -1.600 1.00 0.00 H new ATOM 0 HA GLN A 112 15.387 3.902 0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.034 6.189 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.416 5.613 -1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 112 12.473 4.612 -0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.095 5.160 1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 112 13.738 7.739 1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 112 12.374 8.658 0.381 1.00 0.00 H new ATOM 1753 N ARG A 113 14.976 2.257 -1.611 1.00 0.00 N ATOM 1754 CA ARG A 113 14.433 1.047 -2.131 1.00 0.00 C ATOM 1755 C ARG A 113 15.020 -0.036 -1.239 1.00 0.00 C ATOM 1756 O ARG A 113 14.313 -0.941 -0.804 1.00 0.00 O ATOM 1757 CB ARG A 113 14.812 0.879 -3.589 1.00 0.00 C ATOM 1758 CG ARG A 113 13.780 1.468 -4.533 1.00 0.00 C ATOM 1759 CD ARG A 113 13.983 0.962 -5.937 1.00 0.00 C ATOM 1760 NE ARG A 113 13.850 2.024 -6.931 1.00 0.00 N ATOM 1761 CZ ARG A 113 14.806 2.354 -7.801 1.00 0.00 C ATOM 1762 NH1 ARG A 113 15.971 1.717 -7.798 1.00 0.00 N ATOM 1763 NH2 ARG A 113 14.595 3.327 -8.675 1.00 0.00 N ATOM 0 H ARG A 113 15.852 2.545 -2.046 1.00 0.00 H new ATOM 0 HA ARG A 113 13.343 1.019 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.776 1.356 -3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 113 14.936 -0.182 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.778 1.209 -4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.849 2.556 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 113 14.972 0.511 -6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.257 0.177 -6.147 1.00 0.00 H new ATOM 0 HE ARG A 113 12.973 2.545 -6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 113 16.141 0.968 -7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 113 16.696 1.976 -8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.703 3.822 -8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.324 3.581 -9.341 1.00 0.00 H new ATOM 1777 N ARG A 114 16.297 0.084 -0.890 1.00 0.00 N ATOM 1778 CA ARG A 114 16.866 -0.885 0.033 1.00 0.00 C ATOM 1779 C ARG A 114 16.343 -0.558 1.415 1.00 0.00 C ATOM 1780 O ARG A 114 15.855 -1.423 2.136 1.00 0.00 O ATOM 1781 CB ARG A 114 18.409 -0.891 0.054 1.00 0.00 C ATOM 1782 CG ARG A 114 19.058 0.315 0.706 1.00 0.00 C ATOM 1783 CD ARG A 114 19.121 0.145 2.216 1.00 0.00 C ATOM 1784 NE ARG A 114 19.267 1.422 2.915 1.00 0.00 N ATOM 1785 CZ ARG A 114 20.429 2.051 3.075 1.00 0.00 C ATOM 1786 NH1 ARG A 114 21.550 1.525 2.595 1.00 0.00 N ATOM 1787 NH2 ARG A 114 20.474 3.210 3.719 1.00 0.00 N ATOM 0 H ARG A 114 16.933 0.811 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 114 16.568 -1.880 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 114 18.744 -1.788 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 114 18.769 -0.965 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 114 20.064 0.451 0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 114 18.494 1.214 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 114 18.215 -0.354 2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 114 19.959 -0.504 2.471 1.00 0.00 H new ATOM 0 HE ARG A 114 18.429 1.856 3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 114 21.524 0.634 2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 114 22.437 2.013 2.721 1.00 0.00 H new ATOM 0 HH21 ARG A 114 19.618 3.620 4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 114 21.365 3.691 3.841 1.00 0.00 H new ATOM 1801 N GLY A 115 16.477 0.709 1.782 1.00 0.00 N ATOM 1802 CA GLY A 115 16.033 1.148 3.079 1.00 0.00 C ATOM 1803 C GLY A 115 14.673 0.625 3.434 1.00 0.00 C ATOM 1804 O GLY A 115 14.445 0.245 4.580 1.00 0.00 O ATOM 0 H GLY A 115 16.887 1.439 1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.750 0.824 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.016 2.238 3.103 1.00 0.00 H new ATOM 1808 N PHE A 116 13.765 0.578 2.489 1.00 0.00 N ATOM 1809 CA PHE A 116 12.456 0.058 2.807 1.00 0.00 C ATOM 1810 C PHE A 116 12.502 -1.452 2.918 1.00 0.00 C ATOM 1811 O PHE A 116 11.605 -2.080 3.482 1.00 0.00 O ATOM 1812 CB PHE A 116 11.412 0.443 1.755 1.00 0.00 C ATOM 1813 CG PHE A 116 10.654 1.702 2.031 1.00 0.00 C ATOM 1814 CD1 PHE A 116 9.848 1.809 3.145 1.00 0.00 C ATOM 1815 CD2 PHE A 116 10.720 2.767 1.151 1.00 0.00 C ATOM 1816 CE1 PHE A 116 9.123 2.958 3.378 1.00 0.00 C ATOM 1817 CE2 PHE A 116 10.003 3.920 1.382 1.00 0.00 C ATOM 1818 CZ PHE A 116 9.202 4.015 2.498 1.00 0.00 C ATOM 0 H PHE A 116 13.899 0.882 1.525 1.00 0.00 H new ATOM 0 HA PHE A 116 12.164 0.498 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 116 11.912 0.545 0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 116 10.699 -0.376 1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 116 9.784 0.985 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 116 11.342 2.694 0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 116 8.492 3.030 4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 116 10.069 4.747 0.690 1.00 0.00 H new ATOM 0 HZ PHE A 116 8.637 4.916 2.683 1.00 0.00 H new ATOM 1828 N THR A 117 13.563 -2.021 2.389 1.00 0.00 N ATOM 1829 CA THR A 117 13.752 -3.444 2.433 1.00 0.00 C ATOM 1830 C THR A 117 14.483 -3.834 3.706 1.00 0.00 C ATOM 1831 O THR A 117 14.393 -4.976 4.158 1.00 0.00 O ATOM 1832 CB THR A 117 14.495 -3.922 1.165 1.00 0.00 C ATOM 1833 OG1 THR A 117 13.979 -5.162 0.718 1.00 0.00 O ATOM 1834 CG2 THR A 117 15.997 -4.096 1.317 1.00 0.00 C ATOM 0 H THR A 117 14.311 -1.510 1.921 1.00 0.00 H new ATOM 0 HA THR A 117 12.782 -3.940 2.448 1.00 0.00 H new ATOM 0 HB THR A 117 14.326 -3.117 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 117 13.005 -5.097 0.627 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.422 -4.434 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.447 -3.144 1.597 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.201 -4.836 2.091 1.00 0.00 H new ATOM 1842 N LYS A 118 15.252 -2.897 4.253 1.00 0.00 N ATOM 1843 CA LYS A 118 16.036 -3.190 5.441 1.00 0.00 C ATOM 1844 C LYS A 118 16.128 -2.077 6.487 1.00 0.00 C ATOM 1845 O LYS A 118 16.413 -2.333 7.658 1.00 0.00 O ATOM 1846 CB LYS A 118 17.463 -3.491 4.962 1.00 0.00 C ATOM 1847 CG LYS A 118 18.478 -2.387 5.224 1.00 0.00 C ATOM 1848 CD LYS A 118 19.577 -2.380 4.179 1.00 0.00 C ATOM 1849 CE LYS A 118 20.713 -1.452 4.581 1.00 0.00 C ATOM 1850 NZ LYS A 118 22.034 -2.128 4.509 1.00 0.00 N ATOM 0 H LYS A 118 15.347 -1.945 3.898 1.00 0.00 H new ATOM 0 HA LYS A 118 15.529 -4.015 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.808 -4.403 5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.436 -3.691 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 118 17.973 -1.421 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.916 -2.522 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 118 19.961 -3.391 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 118 19.168 -2.064 3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 118 20.716 -0.579 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 118 20.545 -1.091 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 22.781 -1.461 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 22.041 -2.947 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 22.207 -2.450 3.535 1.00 0.00 H new ATOM 1864 N THR A 119 16.163 -0.860 5.992 1.00 0.00 N ATOM 1865 CA THR A 119 16.549 0.285 6.815 1.00 0.00 C ATOM 1866 C THR A 119 15.513 1.242 7.380 1.00 0.00 C ATOM 1867 O THR A 119 15.882 2.069 8.217 1.00 0.00 O ATOM 1868 CB THR A 119 17.428 1.113 5.906 1.00 0.00 C ATOM 1869 OG1 THR A 119 17.824 0.345 4.786 1.00 0.00 O ATOM 1870 CG2 THR A 119 18.715 1.569 6.511 1.00 0.00 C ATOM 0 H THR A 119 15.931 -0.629 5.026 1.00 0.00 H new ATOM 0 HA THR A 119 16.964 -0.164 7.717 1.00 0.00 H new ATOM 0 HB THR A 119 16.810 1.979 5.669 1.00 0.00 H new ATOM 0 HG1 THR A 119 18.790 0.186 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 119 19.273 2.155 5.780 1.00 0.00 H new ATOM 0 HG22 THR A 119 18.508 2.184 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 119 19.305 0.702 6.808 1.00 0.00 H new ATOM 1878 N TYR A 120 14.301 1.273 6.899 1.00 0.00 N ATOM 1879 CA TYR A 120 13.405 2.310 7.370 1.00 0.00 C ATOM 1880 C TYR A 120 12.539 1.959 8.588 1.00 0.00 C ATOM 1881 O TYR A 120 11.590 2.686 8.873 1.00 0.00 O ATOM 1882 CB TYR A 120 12.525 2.751 6.212 1.00 0.00 C ATOM 1883 CG TYR A 120 13.226 3.616 5.184 1.00 0.00 C ATOM 1884 CD1 TYR A 120 14.554 3.411 4.838 1.00 0.00 C ATOM 1885 CD2 TYR A 120 12.545 4.657 4.570 1.00 0.00 C ATOM 1886 CE1 TYR A 120 15.182 4.224 3.912 1.00 0.00 C ATOM 1887 CE2 TYR A 120 13.164 5.470 3.645 1.00 0.00 C ATOM 1888 CZ TYR A 120 14.483 5.251 3.319 1.00 0.00 C ATOM 1889 OH TYR A 120 15.108 6.060 2.396 1.00 0.00 O ATOM 0 H TYR A 120 13.916 0.626 6.211 1.00 0.00 H new ATOM 0 HA TYR A 120 14.049 3.112 7.730 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.130 1.865 5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 120 11.672 3.300 6.609 1.00 0.00 H new ATOM 0 HD1 TYR A 120 15.105 2.605 5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 120 11.510 4.834 4.822 1.00 0.00 H new ATOM 0 HE1 TYR A 120 16.217 4.054 3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 120 12.616 6.275 3.178 1.00 0.00 H new ATOM 0 HH TYR A 120 16.037 5.769 2.281 1.00 0.00 H new ATOM 1899 N THR A 121 12.823 0.872 9.302 1.00 0.00 N ATOM 1900 CA THR A 121 11.988 0.516 10.460 1.00 0.00 C ATOM 1901 C THR A 121 12.554 0.866 11.866 1.00 0.00 C ATOM 1902 O THR A 121 11.923 0.683 12.908 1.00 0.00 O ATOM 1903 CB THR A 121 11.592 -0.956 10.398 1.00 0.00 C ATOM 1904 OG1 THR A 121 10.278 -1.137 10.900 1.00 0.00 O ATOM 1905 CG2 THR A 121 12.505 -1.860 11.184 1.00 0.00 C ATOM 0 H THR A 121 13.598 0.237 9.113 1.00 0.00 H new ATOM 0 HA THR A 121 11.116 1.162 10.361 1.00 0.00 H new ATOM 0 HB THR A 121 11.662 -1.228 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.037 -2.086 10.852 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.162 -2.891 11.094 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.520 -1.780 10.795 1.00 0.00 H new ATOM 0 HG23 THR A 121 12.495 -1.565 12.233 1.00 0.00 H new ATOM 1913 N VAL A 122 13.803 1.357 11.797 1.00 0.00 N ATOM 1914 CA VAL A 122 14.574 1.741 13.001 1.00 0.00 C ATOM 1915 C VAL A 122 15.019 3.197 12.992 1.00 0.00 C ATOM 1916 O VAL A 122 15.239 3.801 14.043 1.00 0.00 O ATOM 1917 CB VAL A 122 15.810 0.845 13.198 1.00 0.00 C ATOM 1918 CG1 VAL A 122 16.331 0.967 14.622 1.00 0.00 C ATOM 1919 CG2 VAL A 122 15.480 -0.602 12.866 1.00 0.00 C ATOM 0 H VAL A 122 14.305 1.499 10.920 1.00 0.00 H new ATOM 0 HA VAL A 122 13.883 1.603 13.833 1.00 0.00 H new ATOM 0 HB VAL A 122 16.593 1.179 12.517 1.00 0.00 H new ATOM 0 HG11 VAL A 122 17.205 0.328 14.746 1.00 0.00 H new ATOM 0 HG12 VAL A 122 16.608 2.002 14.821 1.00 0.00 H new ATOM 0 HG13 VAL A 122 15.554 0.659 15.321 1.00 0.00 H new ATOM 0 HG21 VAL A 122 16.366 -1.220 13.011 1.00 0.00 H new ATOM 0 HG22 VAL A 122 14.682 -0.953 13.520 1.00 0.00 H new ATOM 0 HG23 VAL A 122 15.155 -0.672 11.828 1.00 0.00 H new ATOM 1929 N GLY A 123 15.105 3.756 11.807 1.00 0.00 N ATOM 1930 CA GLY A 123 15.470 5.145 11.650 1.00 0.00 C ATOM 1931 C GLY A 123 14.396 5.813 10.848 1.00 0.00 C ATOM 1932 O GLY A 123 14.654 6.675 10.010 1.00 0.00 O ATOM 0 H GLY A 123 14.926 3.265 10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 123 15.574 5.625 12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 123 16.433 5.232 11.147 1.00 0.00 H new ATOM 1936 N CYS A 124 13.181 5.336 11.091 1.00 0.00 N ATOM 1937 CA CYS A 124 12.009 5.786 10.389 1.00 0.00 C ATOM 1938 C CYS A 124 11.745 7.280 10.565 1.00 0.00 C ATOM 1939 O CYS A 124 10.731 7.658 11.152 1.00 0.00 O ATOM 1940 CB CYS A 124 10.836 4.916 10.780 1.00 0.00 C ATOM 1941 SG CYS A 124 10.534 4.686 12.558 1.00 0.00 S ATOM 0 H CYS A 124 12.991 4.618 11.791 1.00 0.00 H new ATOM 0 HA CYS A 124 12.175 5.674 9.318 1.00 0.00 H new ATOM 0 HB2 CYS A 124 9.936 5.342 10.336 1.00 0.00 H new ATOM 0 HB3 CYS A 124 10.979 3.933 10.331 1.00 0.00 H new ATOM 1946 N GLU A 125 12.619 8.131 10.052 1.00 0.00 N ATOM 1947 CA GLU A 125 12.407 9.574 10.165 1.00 0.00 C ATOM 1948 C GLU A 125 12.499 10.290 8.831 1.00 0.00 C ATOM 1949 O GLU A 125 13.475 10.986 8.553 1.00 0.00 O ATOM 1950 CB GLU A 125 13.383 10.160 11.176 1.00 0.00 C ATOM 1951 CG GLU A 125 14.495 9.191 11.540 1.00 0.00 C ATOM 1952 CD GLU A 125 15.266 9.620 12.772 1.00 0.00 C ATOM 1953 OE1 GLU A 125 14.633 9.805 13.833 1.00 0.00 O ATOM 1954 OE2 GLU A 125 16.502 9.774 12.676 1.00 0.00 O ATOM 0 H GLU A 125 13.470 7.859 9.560 1.00 0.00 H new ATOM 0 HA GLU A 125 11.387 9.730 10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 125 13.819 11.072 10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 125 12.841 10.442 12.079 1.00 0.00 H new ATOM 0 HG2 GLU A 125 14.068 8.202 11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 125 15.183 9.101 10.699 1.00 0.00 H new ATOM 1961 N GLU A 126 11.471 10.137 8.017 1.00 0.00 N ATOM 1962 CA GLU A 126 11.433 10.794 6.725 1.00 0.00 C ATOM 1963 C GLU A 126 10.448 11.957 6.724 1.00 0.00 C ATOM 1964 O GLU A 126 9.962 12.319 5.631 1.00 0.00 O ATOM 1965 CB GLU A 126 11.106 9.809 5.627 1.00 0.00 C ATOM 1966 CG GLU A 126 12.310 9.387 4.815 1.00 0.00 C ATOM 1967 CD GLU A 126 12.550 10.289 3.626 1.00 0.00 C ATOM 1968 OE1 GLU A 126 12.713 11.509 3.832 1.00 0.00 O ATOM 1969 OE2 GLU A 126 12.570 9.777 2.487 1.00 0.00 O ATOM 1970 OXT GLU A 126 10.163 12.491 7.816 1.00 0.00 O ATOM 0 H GLU A 126 10.653 9.565 8.227 1.00 0.00 H new ATOM 0 HA GLU A 126 12.426 11.200 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 126 10.648 8.924 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 126 10.366 10.253 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 126 13.194 9.389 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 126 12.170 8.363 4.468 1.00 0.00 H new TER 1977 GLU A 126