USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 782 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 57 HIS : no HE2:sc= -6.89! C(o=-6.9!,f=-8.1!) USER MOD Set 1.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 SER OG : rot -128:sc= -1.28 USER MOD Set 2.2: A 54 THR OG1 : rot 121:sc= 1.3 USER MOD Single : A 1 GLN : amide:sc= 0.699 K(o=0.7,f=-3.8!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0.681 (180deg=0.681) USER MOD Single : A 7 LYS NZ :NH3+ -112:sc= -5.5! (180deg=-7.36!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 150:sc= -0.115 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.74 K(o=0.74,f=-4.5!) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0824 F(o=-3.9!,f=-0.082) USER MOD Single : A 21 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.23) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.059) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -14:sc= 0.283 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.4) USER MOD Single : A 36 ASN : amide:sc= 0.00644 K(o=0.0064,f=-2!) USER MOD Single : A 46 ASN :FLIP amide:sc= -7.49! C(o=-16!,f=-7.5!) USER MOD Single : A 49 ASN : amide:sc= -0.275 K(o=-0.28,f=-1.6!) USER MOD Single : A 51 THR OG1 : rot -170:sc= -0.417 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 114:sc= 0.792 USER MOD Single : A 66 HIS : no HE2:sc= -21.8! C(o=-22!,f=-30!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -168:sc= -10.5! (180deg=-11.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -138:sc= -6.22! (180deg=-7.57!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -158:sc= -4.99! (180deg=-5.47!) USER MOD Single : A 90 MET CE :methyl 166:sc= -15.2! (180deg=-16.1!) USER MOD Single : A 92 SER OG : rot -167:sc= -4.92! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -6.76! C(o=-6.8!,f=-16!) USER MOD Single : A 105 SER OG : rot -11:sc= 0.714! USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.806 -5.941 -6.256 1.00 0.00 N ATOM 2 CA GLN A 1 1.830 -5.128 -5.057 1.00 0.00 C ATOM 3 C GLN A 1 2.927 -5.618 -4.122 1.00 0.00 C ATOM 4 O GLN A 1 2.652 -6.007 -2.989 1.00 0.00 O ATOM 5 CB GLN A 1 0.467 -5.193 -4.373 1.00 0.00 C ATOM 6 CG GLN A 1 -0.371 -3.989 -4.791 1.00 0.00 C ATOM 7 CD GLN A 1 -0.941 -4.183 -6.189 1.00 0.00 C ATOM 8 OE1 GLN A 1 -0.199 -4.205 -7.167 1.00 0.00 O ATOM 9 NE2 GLN A 1 -2.266 -4.324 -6.280 1.00 0.00 N ATOM 0 H1 GLN A 1 1.055 -5.602 -6.891 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.724 -5.874 -6.739 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.621 -6.932 -6.000 1.00 0.00 H new ATOM 0 HA GLN A 1 2.042 -4.092 -5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -0.044 -6.117 -4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 1 0.592 -5.204 -3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -1.184 -3.842 -4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.242 -3.088 -4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -2.841 -4.299 -5.438 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -2.703 -4.457 -7.192 1.00 0.00 H new ATOM 20 N LEU A 2 4.174 -5.597 -4.601 1.00 0.00 N ATOM 21 CA LEU A 2 5.304 -6.037 -3.808 1.00 0.00 C ATOM 22 C LEU A 2 5.667 -4.968 -2.787 1.00 0.00 C ATOM 23 O LEU A 2 5.401 -3.787 -3.000 1.00 0.00 O ATOM 24 CB LEU A 2 6.486 -6.330 -4.727 1.00 0.00 C ATOM 25 CG LEU A 2 6.149 -7.516 -5.627 1.00 0.00 C ATOM 26 CD1 LEU A 2 5.591 -7.006 -6.954 1.00 0.00 C ATOM 27 CD2 LEU A 2 7.411 -8.333 -5.886 1.00 0.00 C ATOM 0 H LEU A 2 4.417 -5.277 -5.538 1.00 0.00 H new ATOM 0 HA LEU A 2 5.043 -6.949 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.715 -5.453 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.375 -6.550 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 2 5.404 -8.144 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.350 -7.853 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.689 -6.423 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.335 -6.378 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.171 -9.180 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.156 -7.706 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.809 -8.698 -4.939 1.00 0.00 H new ATOM 39 N PRO A 3 6.277 -5.386 -1.675 1.00 0.00 N ATOM 40 CA PRO A 3 6.697 -4.514 -0.599 1.00 0.00 C ATOM 41 C PRO A 3 7.906 -3.702 -1.042 1.00 0.00 C ATOM 42 O PRO A 3 7.825 -2.936 -1.999 1.00 0.00 O ATOM 43 CB PRO A 3 7.060 -5.455 0.547 1.00 0.00 C ATOM 44 CG PRO A 3 7.535 -6.712 -0.184 1.00 0.00 C ATOM 45 CD PRO A 3 6.604 -6.766 -1.393 1.00 0.00 C ATOM 0 HA PRO A 3 5.926 -3.802 -0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.841 -5.037 1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.203 -5.660 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 3 8.581 -6.637 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.443 -7.602 0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.092 -7.238 -2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.708 -7.348 -1.176 1.00 0.00 H new ATOM 53 N ARG A 4 9.030 -3.870 -0.341 1.00 0.00 N ATOM 54 CA ARG A 4 10.246 -3.152 -0.662 1.00 0.00 C ATOM 55 C ARG A 4 11.047 -3.930 -1.696 1.00 0.00 C ATOM 56 O ARG A 4 11.322 -5.113 -1.511 1.00 0.00 O ATOM 57 CB ARG A 4 11.064 -2.945 0.609 1.00 0.00 C ATOM 58 CG ARG A 4 12.494 -2.564 0.238 1.00 0.00 C ATOM 59 CD ARG A 4 13.178 -1.919 1.440 1.00 0.00 C ATOM 60 NE ARG A 4 12.290 -0.960 2.096 1.00 0.00 N ATOM 61 CZ ARG A 4 12.489 -0.525 3.348 1.00 0.00 C ATOM 62 NH1 ARG A 4 13.540 -0.969 4.052 1.00 0.00 N ATOM 63 NH2 ARG A 4 11.639 0.354 3.896 1.00 0.00 N ATOM 0 H ARG A 4 9.114 -4.502 0.455 1.00 0.00 H new ATOM 0 HA ARG A 4 9.997 -2.177 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.615 -2.162 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.063 -3.856 1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.047 -3.449 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.490 -1.874 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 4 13.475 -2.690 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.089 -1.415 1.117 1.00 0.00 H new ATOM 0 HE ARG A 4 11.485 -0.607 1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.188 -1.637 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.692 -0.638 5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.840 0.693 3.360 1.00 0.00 H new ATOM 0 HH22 ARG A 4 11.791 0.685 4.849 1.00 0.00 H new ATOM 77 N LEU A 5 11.419 -3.262 -2.791 1.00 0.00 N ATOM 78 CA LEU A 5 12.184 -3.891 -3.848 1.00 0.00 C ATOM 79 C LEU A 5 13.467 -3.108 -4.094 1.00 0.00 C ATOM 80 O LEU A 5 13.496 -1.890 -3.927 1.00 0.00 O ATOM 81 CB LEU A 5 11.340 -3.956 -5.118 1.00 0.00 C ATOM 82 CG LEU A 5 10.485 -5.221 -5.095 1.00 0.00 C ATOM 83 CD1 LEU A 5 9.624 -5.275 -6.353 1.00 0.00 C ATOM 84 CD2 LEU A 5 11.393 -6.447 -5.045 1.00 0.00 C ATOM 0 H LEU A 5 11.197 -2.281 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 5 12.451 -4.906 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.703 -3.075 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.985 -3.956 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 5 9.842 -5.210 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.013 -6.178 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.976 -4.399 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.267 -5.287 -7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.784 -7.351 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.037 -6.459 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.008 -6.408 -4.146 1.00 0.00 H new ATOM 96 N CYS A 6 14.529 -3.811 -4.493 1.00 0.00 N ATOM 97 CA CYS A 6 15.806 -3.182 -4.760 1.00 0.00 C ATOM 98 C CYS A 6 16.535 -3.941 -5.860 1.00 0.00 C ATOM 99 O CYS A 6 16.319 -5.138 -6.039 1.00 0.00 O ATOM 100 CB CYS A 6 16.637 -3.156 -3.480 1.00 0.00 C ATOM 101 SG CYS A 6 15.758 -2.489 -2.046 1.00 0.00 S ATOM 0 H CYS A 6 14.520 -4.821 -4.636 1.00 0.00 H new ATOM 0 HA CYS A 6 15.648 -2.157 -5.096 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.966 -4.170 -3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.534 -2.561 -3.653 1.00 0.00 H new ATOM 106 N LYS A 7 17.400 -3.243 -6.598 1.00 0.00 N ATOM 107 CA LYS A 7 18.153 -3.854 -7.675 1.00 0.00 C ATOM 108 C LYS A 7 19.241 -4.750 -7.102 1.00 0.00 C ATOM 109 O LYS A 7 19.960 -4.353 -6.188 1.00 0.00 O ATOM 110 CB LYS A 7 18.758 -2.763 -8.555 1.00 0.00 C ATOM 111 CG LYS A 7 17.639 -1.988 -9.245 1.00 0.00 C ATOM 112 CD LYS A 7 16.914 -2.905 -10.225 1.00 0.00 C ATOM 113 CE LYS A 7 16.470 -2.098 -11.443 1.00 0.00 C ATOM 114 NZ LYS A 7 17.629 -1.540 -12.157 1.00 0.00 N ATOM 0 H LYS A 7 17.591 -2.250 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 7 17.489 -4.468 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.364 -2.088 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.420 -3.206 -9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.938 -1.603 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.050 -1.127 -9.772 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.571 -3.718 -10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.049 -3.360 -9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.896 -2.735 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.809 -1.290 -11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.632 -0.505 -12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.505 -1.929 -11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.570 -1.791 -13.164 1.00 0.00 H new ATOM 128 N PHE A 8 19.362 -5.964 -7.643 1.00 0.00 N ATOM 129 CA PHE A 8 20.360 -6.909 -7.184 1.00 0.00 C ATOM 130 C PHE A 8 21.178 -7.410 -8.365 1.00 0.00 C ATOM 131 O PHE A 8 20.866 -8.449 -8.944 1.00 0.00 O ATOM 132 CB PHE A 8 19.672 -8.069 -6.470 1.00 0.00 C ATOM 133 CG PHE A 8 20.550 -8.760 -5.456 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.531 -9.665 -5.878 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.387 -8.492 -4.091 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.347 -10.303 -4.937 1.00 0.00 C ATOM 137 CE2 PHE A 8 21.202 -9.131 -3.150 1.00 0.00 C ATOM 138 CZ PHE A 8 22.182 -10.036 -3.573 1.00 0.00 C ATOM 0 H PHE A 8 18.775 -6.309 -8.402 1.00 0.00 H new ATOM 0 HA PHE A 8 21.035 -6.419 -6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.777 -7.698 -5.970 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.344 -8.798 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.658 -9.871 -6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.632 -7.792 -3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 8 23.104 -11.001 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 8 21.075 -8.926 -2.097 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.811 -10.529 -2.847 1.00 0.00 H new ATOM 148 N CYS A 9 22.229 -6.669 -8.723 1.00 0.00 N ATOM 149 CA CYS A 9 23.087 -7.040 -9.830 1.00 0.00 C ATOM 150 C CYS A 9 24.545 -6.974 -9.398 1.00 0.00 C ATOM 151 O CYS A 9 24.913 -6.138 -8.575 1.00 0.00 O ATOM 152 CB CYS A 9 22.830 -6.103 -11.008 1.00 0.00 C ATOM 153 SG CYS A 9 22.449 -4.402 -10.524 1.00 0.00 S ATOM 0 H CYS A 9 22.500 -5.805 -8.254 1.00 0.00 H new ATOM 0 HA CYS A 9 22.866 -8.062 -10.139 1.00 0.00 H new ATOM 0 HB2 CYS A 9 23.708 -6.098 -11.654 1.00 0.00 H new ATOM 0 HB3 CYS A 9 22.002 -6.496 -11.598 1.00 0.00 H new ATOM 158 N ASP A 10 25.375 -7.859 -9.954 1.00 0.00 N ATOM 159 CA ASP A 10 26.785 -7.897 -9.623 1.00 0.00 C ATOM 160 C ASP A 10 27.482 -6.671 -10.196 1.00 0.00 C ATOM 161 O ASP A 10 26.912 -5.960 -11.021 1.00 0.00 O ATOM 162 CB ASP A 10 27.402 -9.179 -10.177 1.00 0.00 C ATOM 163 CG ASP A 10 26.385 -10.311 -10.188 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.474 -10.246 -11.040 1.00 0.00 O ATOM 165 OD2 ASP A 10 26.538 -11.219 -9.343 1.00 0.00 O ATOM 0 H ASP A 10 25.085 -8.558 -10.638 1.00 0.00 H new ATOM 0 HA ASP A 10 26.909 -7.888 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.768 -9.004 -11.189 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.263 -9.464 -9.572 1.00 0.00 H new ATOM 170 N VAL A 11 28.718 -6.425 -9.756 1.00 0.00 N ATOM 171 CA VAL A 11 29.485 -5.289 -10.225 1.00 0.00 C ATOM 172 C VAL A 11 30.057 -5.588 -11.604 1.00 0.00 C ATOM 173 O VAL A 11 30.853 -6.512 -11.761 1.00 0.00 O ATOM 174 CB VAL A 11 30.602 -4.983 -9.231 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.759 -6.156 -8.266 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.910 -4.766 -9.986 1.00 0.00 C ATOM 0 H VAL A 11 29.203 -7.006 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 11 28.838 -4.416 -10.303 1.00 0.00 H new ATOM 0 HB VAL A 11 30.353 -4.082 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.557 -5.938 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.825 -6.311 -7.726 1.00 0.00 H new ATOM 0 HG13 VAL A 11 31.008 -7.057 -8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.708 -4.547 -9.276 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.160 -5.666 -10.547 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.798 -3.929 -10.675 1.00 0.00 H new ATOM 186 N LYS A 12 29.651 -4.804 -12.604 1.00 0.00 N ATOM 187 CA LYS A 12 30.125 -4.988 -13.961 1.00 0.00 C ATOM 188 C LYS A 12 30.469 -3.640 -14.578 1.00 0.00 C ATOM 189 O LYS A 12 30.026 -2.601 -14.093 1.00 0.00 O ATOM 190 CB LYS A 12 29.052 -5.699 -14.780 1.00 0.00 C ATOM 191 CG LYS A 12 27.696 -5.527 -14.102 1.00 0.00 C ATOM 192 CD LYS A 12 26.598 -5.487 -15.162 1.00 0.00 C ATOM 193 CE LYS A 12 25.314 -6.076 -14.586 1.00 0.00 C ATOM 194 NZ LYS A 12 25.069 -7.426 -15.116 1.00 0.00 N ATOM 0 H LYS A 12 28.992 -4.034 -12.490 1.00 0.00 H new ATOM 0 HA LYS A 12 31.026 -5.601 -13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.020 -5.290 -15.790 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.292 -6.758 -14.872 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.517 -6.349 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.684 -4.608 -13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.427 -4.460 -15.485 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.907 -6.051 -16.042 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.383 -6.115 -13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 12 24.472 -5.428 -14.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.190 -7.805 -14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.980 -7.382 -16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.863 -8.048 -14.863 1.00 0.00 H new ATOM 208 N ALA A 13 31.263 -3.660 -15.651 1.00 0.00 N ATOM 209 CA ALA A 13 31.665 -2.444 -16.327 1.00 0.00 C ATOM 210 C ALA A 13 30.442 -1.578 -16.600 1.00 0.00 C ATOM 211 O ALA A 13 29.545 -1.980 -17.338 1.00 0.00 O ATOM 212 CB ALA A 13 32.377 -2.798 -17.629 1.00 0.00 C ATOM 0 H ALA A 13 31.637 -4.514 -16.065 1.00 0.00 H new ATOM 0 HA ALA A 13 32.351 -1.881 -15.694 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.680 -1.883 -18.138 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.259 -3.400 -17.409 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.702 -3.364 -18.271 1.00 0.00 H new ATOM 218 N THR A 14 30.409 -0.385 -16.002 1.00 0.00 N ATOM 219 CA THR A 14 29.298 0.527 -16.185 1.00 0.00 C ATOM 220 C THR A 14 29.754 1.749 -16.970 1.00 0.00 C ATOM 221 O THR A 14 30.950 1.990 -17.112 1.00 0.00 O ATOM 222 CB THR A 14 28.746 0.935 -14.822 1.00 0.00 C ATOM 223 OG1 THR A 14 27.658 1.814 -15.000 1.00 0.00 O ATOM 224 CG2 THR A 14 29.839 1.635 -14.018 1.00 0.00 C ATOM 0 H THR A 14 31.144 -0.035 -15.388 1.00 0.00 H new ATOM 0 HA THR A 14 28.508 0.033 -16.750 1.00 0.00 H new ATOM 0 HB THR A 14 28.412 0.047 -14.285 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.027 1.707 -14.258 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.445 1.926 -13.045 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.681 0.956 -13.880 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.173 2.523 -14.555 1.00 0.00 H new ATOM 232 N THR A 15 28.793 2.523 -17.480 1.00 0.00 N ATOM 233 CA THR A 15 29.101 3.713 -18.245 1.00 0.00 C ATOM 234 C THR A 15 28.493 4.935 -17.569 1.00 0.00 C ATOM 235 O THR A 15 28.320 5.976 -18.199 1.00 0.00 O ATOM 236 CB THR A 15 28.563 3.558 -19.664 1.00 0.00 C ATOM 237 OG1 THR A 15 27.159 3.441 -19.625 1.00 0.00 O ATOM 238 CG2 THR A 15 29.161 2.307 -20.300 1.00 0.00 C ATOM 0 H THR A 15 27.796 2.338 -17.371 1.00 0.00 H new ATOM 0 HA THR A 15 30.181 3.849 -18.292 1.00 0.00 H new ATOM 0 HB THR A 15 28.837 4.432 -20.254 1.00 0.00 H new ATOM 0 HG1 THR A 15 26.813 3.343 -20.537 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.777 2.195 -21.314 1.00 0.00 H new ATOM 0 HG22 THR A 15 30.247 2.398 -20.331 1.00 0.00 H new ATOM 0 HG23 THR A 15 28.887 1.432 -19.710 1.00 0.00 H new ATOM 246 N CYS A 16 28.170 4.805 -16.280 1.00 0.00 N ATOM 247 CA CYS A 16 27.585 5.893 -15.525 1.00 0.00 C ATOM 248 C CYS A 16 28.681 6.833 -15.042 1.00 0.00 C ATOM 249 O CYS A 16 29.705 6.385 -14.532 1.00 0.00 O ATOM 250 CB CYS A 16 26.800 5.329 -14.345 1.00 0.00 C ATOM 251 SG CYS A 16 25.160 6.065 -14.131 1.00 0.00 S ATOM 0 H CYS A 16 28.308 3.949 -15.744 1.00 0.00 H new ATOM 0 HA CYS A 16 26.903 6.457 -16.162 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.689 4.253 -14.477 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.377 5.481 -13.433 1.00 0.00 H new ATOM 256 N SER A 17 28.464 8.140 -15.205 1.00 0.00 N ATOM 257 CA SER A 17 29.432 9.133 -14.786 1.00 0.00 C ATOM 258 C SER A 17 28.927 9.857 -13.546 1.00 0.00 C ATOM 259 O SER A 17 27.727 9.879 -13.283 1.00 0.00 O ATOM 260 CB SER A 17 29.675 10.118 -15.926 1.00 0.00 C ATOM 261 OG SER A 17 30.526 9.528 -16.883 1.00 0.00 O ATOM 0 H SER A 17 27.620 8.528 -15.627 1.00 0.00 H new ATOM 0 HA SER A 17 30.374 8.645 -14.538 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.728 10.397 -16.388 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.123 11.034 -15.540 1.00 0.00 H new ATOM 0 HG SER A 17 30.681 10.159 -17.616 1.00 0.00 H new ATOM 267 N ASN A 18 29.848 10.450 -12.784 1.00 0.00 N ATOM 268 CA ASN A 18 29.491 11.171 -11.579 1.00 0.00 C ATOM 269 C ASN A 18 28.677 12.407 -11.935 1.00 0.00 C ATOM 270 O ASN A 18 29.128 13.532 -11.731 1.00 0.00 O ATOM 271 CB ASN A 18 30.761 11.559 -10.826 1.00 0.00 C ATOM 272 CG ASN A 18 31.773 12.204 -11.763 1.00 0.00 C ATOM 273 OD1 ASN A 18 32.239 11.570 -12.706 1.00 0.00 O ATOM 274 ND2 ASN A 18 32.109 13.469 -11.500 1.00 0.00 N ATOM 0 H ASN A 18 30.847 10.440 -12.988 1.00 0.00 H new ATOM 0 HA ASN A 18 28.882 10.534 -10.938 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.514 12.250 -10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.199 10.674 -10.364 1.00 0.00 H new ATOM 0 HD21 ASN A 18 32.782 13.952 -12.095 1.00 0.00 H new ATOM 0 HD22 ASN A 18 31.693 13.952 -10.704 1.00 0.00 H new ATOM 281 N GLN A 19 27.473 12.193 -12.470 1.00 0.00 N ATOM 282 CA GLN A 19 26.602 13.287 -12.853 1.00 0.00 C ATOM 283 C GLN A 19 25.460 13.412 -11.853 1.00 0.00 C ATOM 284 O GLN A 19 25.188 12.482 -11.097 1.00 0.00 O ATOM 285 CB GLN A 19 26.064 13.038 -14.259 1.00 0.00 C ATOM 286 CG GLN A 19 27.176 12.468 -15.136 1.00 0.00 C ATOM 287 CD GLN A 19 28.180 13.549 -15.509 1.00 0.00 C ATOM 288 OE1 GLN A 19 29.019 13.944 -14.549 1.00 0.00 O flip ATOM 289 NE2 GLN A 19 28.198 14.017 -16.646 1.00 0.00 N flip ATOM 0 H GLN A 19 27.085 11.266 -12.645 1.00 0.00 H new ATOM 0 HA GLN A 19 27.163 14.222 -12.852 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.224 12.344 -14.221 1.00 0.00 H new ATOM 0 HB3 GLN A 19 25.690 13.968 -14.687 1.00 0.00 H new ATOM 0 HG2 GLN A 19 27.684 11.661 -14.608 1.00 0.00 H new ATOM 0 HG3 GLN A 19 26.747 12.037 -16.040 1.00 0.00 H new ATOM 0 HE21 GLN A 19 27.536 13.682 -17.346 1.00 0.00 H new ATOM 0 HE22 GLN A 19 28.875 14.740 -16.889 1.00 0.00 H new ATOM 298 N ASP A 20 24.793 14.569 -11.851 1.00 0.00 N ATOM 299 CA ASP A 20 23.686 14.811 -10.947 1.00 0.00 C ATOM 300 C ASP A 20 22.898 13.525 -10.742 1.00 0.00 C ATOM 301 O ASP A 20 22.782 13.038 -9.620 1.00 0.00 O ATOM 302 CB ASP A 20 22.793 15.908 -11.519 1.00 0.00 C ATOM 303 CG ASP A 20 23.089 16.135 -12.995 1.00 0.00 C ATOM 304 OD1 ASP A 20 24.127 16.773 -13.274 1.00 0.00 O ATOM 305 OD2 ASP A 20 22.271 15.666 -13.816 1.00 0.00 O ATOM 0 H ASP A 20 25.008 15.350 -12.471 1.00 0.00 H new ATOM 0 HA ASP A 20 24.066 15.139 -9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 20 21.746 15.633 -11.392 1.00 0.00 H new ATOM 0 HB3 ASP A 20 22.949 16.834 -10.966 1.00 0.00 H new ATOM 310 N GLN A 21 22.355 12.975 -11.831 1.00 0.00 N ATOM 311 CA GLN A 21 21.581 11.752 -11.764 1.00 0.00 C ATOM 312 C GLN A 21 22.223 10.687 -12.641 1.00 0.00 C ATOM 313 O GLN A 21 22.623 10.965 -13.770 1.00 0.00 O ATOM 314 CB GLN A 21 20.150 12.033 -12.214 1.00 0.00 C ATOM 315 CG GLN A 21 20.167 13.001 -13.393 1.00 0.00 C ATOM 316 CD GLN A 21 18.865 12.924 -14.178 1.00 0.00 C ATOM 317 OE1 GLN A 21 18.429 11.839 -14.556 1.00 0.00 O ATOM 318 NE2 GLN A 21 18.245 14.081 -14.422 1.00 0.00 N ATOM 0 H GLN A 21 22.443 13.366 -12.769 1.00 0.00 H new ATOM 0 HA GLN A 21 21.560 11.385 -10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 21 19.659 11.103 -12.500 1.00 0.00 H new ATOM 0 HB3 GLN A 21 19.575 12.457 -11.390 1.00 0.00 H new ATOM 0 HG2 GLN A 21 20.319 14.018 -13.031 1.00 0.00 H new ATOM 0 HG3 GLN A 21 21.006 12.767 -14.049 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.648 14.956 -14.087 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.369 14.090 -14.944 1.00 0.00 H new ATOM 327 N CYS A 22 22.320 9.461 -12.119 1.00 0.00 N ATOM 328 CA CYS A 22 22.910 8.361 -12.854 1.00 0.00 C ATOM 329 C CYS A 22 22.075 7.104 -12.658 1.00 0.00 C ATOM 330 O CYS A 22 21.311 7.006 -11.699 1.00 0.00 O ATOM 331 CB CYS A 22 24.342 8.139 -12.373 1.00 0.00 C ATOM 332 SG CYS A 22 25.569 8.123 -13.703 1.00 0.00 S ATOM 0 H CYS A 22 21.993 9.214 -11.185 1.00 0.00 H new ATOM 0 HA CYS A 22 22.930 8.598 -13.918 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.602 8.923 -11.662 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.391 7.192 -11.835 1.00 0.00 H new ATOM 337 N THR A 23 22.220 6.139 -13.569 1.00 0.00 N ATOM 338 CA THR A 23 21.480 4.897 -13.488 1.00 0.00 C ATOM 339 C THR A 23 22.432 3.741 -13.225 1.00 0.00 C ATOM 340 O THR A 23 23.592 3.782 -13.631 1.00 0.00 O ATOM 341 CB THR A 23 20.712 4.679 -14.789 1.00 0.00 C ATOM 342 OG1 THR A 23 19.799 5.738 -14.979 1.00 0.00 O ATOM 343 CG2 THR A 23 19.949 3.359 -14.714 1.00 0.00 C ATOM 0 H THR A 23 22.848 6.203 -14.370 1.00 0.00 H new ATOM 0 HA THR A 23 20.769 4.948 -12.663 1.00 0.00 H new ATOM 0 HB THR A 23 21.413 4.648 -15.623 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.307 5.600 -15.815 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.400 3.203 -15.643 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.653 2.540 -14.566 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.248 3.391 -13.880 1.00 0.00 H new ATOM 351 N SER A 24 21.939 2.704 -12.542 1.00 0.00 N ATOM 352 CA SER A 24 22.746 1.542 -12.230 1.00 0.00 C ATOM 353 C SER A 24 22.800 0.612 -13.433 1.00 0.00 C ATOM 354 O SER A 24 23.706 -0.210 -13.546 1.00 0.00 O ATOM 355 CB SER A 24 22.156 0.826 -11.018 1.00 0.00 C ATOM 356 OG SER A 24 22.938 1.109 -9.879 1.00 0.00 O ATOM 0 H SER A 24 20.980 2.655 -12.198 1.00 0.00 H new ATOM 0 HA SER A 24 23.763 1.854 -11.993 1.00 0.00 H new ATOM 0 HB2 SER A 24 21.128 1.149 -10.856 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.128 -0.249 -11.195 1.00 0.00 H new ATOM 0 HG SER A 24 23.195 0.270 -9.442 1.00 0.00 H new ATOM 362 N ASN A 25 21.825 0.745 -14.335 1.00 0.00 N ATOM 363 CA ASN A 25 21.768 -0.080 -15.525 1.00 0.00 C ATOM 364 C ASN A 25 21.332 -1.491 -15.155 1.00 0.00 C ATOM 365 O ASN A 25 21.289 -2.375 -16.009 1.00 0.00 O ATOM 366 CB ASN A 25 23.139 -0.098 -16.197 1.00 0.00 C ATOM 367 CG ASN A 25 23.021 -0.508 -17.658 1.00 0.00 C ATOM 368 OD1 ASN A 25 23.633 -1.487 -18.079 1.00 0.00 O ATOM 369 ND2 ASN A 25 22.232 0.243 -18.429 1.00 0.00 N ATOM 0 H ASN A 25 21.066 1.421 -14.256 1.00 0.00 H new ATOM 0 HA ASN A 25 21.040 0.333 -16.223 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.596 0.889 -16.128 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.797 -0.791 -15.672 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.116 0.014 -19.416 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.745 1.046 -18.031 1.00 0.00 H new ATOM 376 N CYS A 26 21.005 -1.699 -13.878 1.00 0.00 N ATOM 377 CA CYS A 26 20.572 -2.998 -13.400 1.00 0.00 C ATOM 378 C CYS A 26 19.226 -3.351 -14.017 1.00 0.00 C ATOM 379 O CYS A 26 18.531 -2.481 -14.536 1.00 0.00 O ATOM 380 CB CYS A 26 20.479 -2.973 -11.878 1.00 0.00 C ATOM 381 SG CYS A 26 20.394 -4.615 -11.120 1.00 0.00 S ATOM 0 H CYS A 26 21.035 -0.976 -13.159 1.00 0.00 H new ATOM 0 HA CYS A 26 21.295 -3.759 -13.694 1.00 0.00 H new ATOM 0 HB2 CYS A 26 21.345 -2.444 -11.480 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.596 -2.403 -11.587 1.00 0.00 H new ATOM 386 N ASN A 27 18.860 -4.633 -13.960 1.00 0.00 N ATOM 387 CA ASN A 27 17.602 -5.093 -14.512 1.00 0.00 C ATOM 388 C ASN A 27 17.052 -6.236 -13.670 1.00 0.00 C ATOM 389 O ASN A 27 16.374 -7.121 -14.187 1.00 0.00 O ATOM 390 CB ASN A 27 17.814 -5.537 -15.956 1.00 0.00 C ATOM 391 CG ASN A 27 17.422 -4.433 -16.927 1.00 0.00 C ATOM 392 OD1 ASN A 27 18.199 -3.513 -17.170 1.00 0.00 O ATOM 393 ND2 ASN A 27 16.213 -4.529 -17.487 1.00 0.00 N ATOM 0 H ASN A 27 19.425 -5.367 -13.534 1.00 0.00 H new ATOM 0 HA ASN A 27 16.876 -4.280 -14.498 1.00 0.00 H new ATOM 0 HB2 ASN A 27 18.859 -5.806 -16.108 1.00 0.00 H new ATOM 0 HB3 ASN A 27 17.222 -6.430 -16.157 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.900 -3.819 -18.149 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.603 -5.313 -17.253 1.00 0.00 H new ATOM 400 N ILE A 28 17.349 -6.215 -12.370 1.00 0.00 N ATOM 401 CA ILE A 28 16.885 -7.245 -11.461 1.00 0.00 C ATOM 402 C ILE A 28 16.133 -6.607 -10.301 1.00 0.00 C ATOM 403 O ILE A 28 16.476 -5.511 -9.863 1.00 0.00 O ATOM 404 CB ILE A 28 18.077 -8.051 -10.955 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.853 -8.614 -12.143 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.581 -9.199 -10.082 1.00 0.00 C ATOM 407 CD1 ILE A 28 19.844 -9.664 -11.651 1.00 0.00 C ATOM 0 H ILE A 28 17.912 -5.489 -11.928 1.00 0.00 H new ATOM 0 HA ILE A 28 16.205 -7.918 -11.983 1.00 0.00 H new ATOM 0 HB ILE A 28 18.730 -7.404 -10.369 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.165 -9.057 -12.863 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.382 -7.812 -12.658 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.433 -9.775 -9.720 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.027 -8.798 -9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 28 16.928 -9.846 -10.668 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.398 -10.066 -12.499 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.539 -9.207 -10.947 1.00 0.00 H new ATOM 0 HD13 ILE A 28 19.304 -10.470 -11.155 1.00 0.00 H new ATOM 419 N THR A 29 15.103 -7.295 -9.804 1.00 0.00 N ATOM 420 CA THR A 29 14.313 -6.791 -8.699 1.00 0.00 C ATOM 421 C THR A 29 14.335 -7.787 -7.547 1.00 0.00 C ATOM 422 O THR A 29 13.637 -8.797 -7.581 1.00 0.00 O ATOM 423 CB THR A 29 12.882 -6.542 -9.170 1.00 0.00 C ATOM 424 OG1 THR A 29 12.886 -5.568 -10.189 1.00 0.00 O ATOM 425 CG2 THR A 29 12.038 -6.050 -7.998 1.00 0.00 C ATOM 0 H THR A 29 14.803 -8.204 -10.156 1.00 0.00 H new ATOM 0 HA THR A 29 14.736 -5.851 -8.346 1.00 0.00 H new ATOM 0 HB THR A 29 12.460 -7.470 -9.556 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.968 -5.409 -10.493 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.017 -5.872 -8.334 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.035 -6.803 -7.210 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.459 -5.122 -7.611 1.00 0.00 H new ATOM 433 N SER A 30 15.143 -7.496 -6.526 1.00 0.00 N ATOM 434 CA SER A 30 15.252 -8.364 -5.369 1.00 0.00 C ATOM 435 C SER A 30 14.336 -7.865 -4.262 1.00 0.00 C ATOM 436 O SER A 30 14.341 -6.681 -3.932 1.00 0.00 O ATOM 437 CB SER A 30 16.702 -8.398 -4.896 1.00 0.00 C ATOM 438 OG SER A 30 17.114 -7.096 -4.547 1.00 0.00 O ATOM 0 H SER A 30 15.730 -6.663 -6.484 1.00 0.00 H new ATOM 0 HA SER A 30 14.947 -9.375 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.800 -9.064 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.343 -8.795 -5.683 1.00 0.00 H new ATOM 0 HG SER A 30 16.472 -6.444 -4.899 1.00 0.00 H new ATOM 444 N ILE A 31 13.546 -8.774 -3.684 1.00 0.00 N ATOM 445 CA ILE A 31 12.630 -8.428 -2.616 1.00 0.00 C ATOM 446 C ILE A 31 13.383 -8.361 -1.294 1.00 0.00 C ATOM 447 O ILE A 31 14.204 -9.227 -1.001 1.00 0.00 O ATOM 448 CB ILE A 31 11.511 -9.465 -2.550 1.00 0.00 C ATOM 449 CG1 ILE A 31 10.813 -9.547 -3.906 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.501 -9.054 -1.483 1.00 0.00 C ATOM 451 CD1 ILE A 31 10.042 -10.860 -4.000 1.00 0.00 C ATOM 0 H ILE A 31 13.530 -9.759 -3.947 1.00 0.00 H new ATOM 0 HA ILE A 31 12.189 -7.450 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 31 11.931 -10.439 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.133 -8.704 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.547 -9.485 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.702 -9.793 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.999 -8.994 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.080 -8.081 -1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.543 -10.920 -4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.733 -11.696 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.298 -10.903 -3.205 1.00 0.00 H new ATOM 463 N CYS A 32 13.101 -7.328 -0.498 1.00 0.00 N ATOM 464 CA CYS A 32 13.751 -7.152 0.787 1.00 0.00 C ATOM 465 C CYS A 32 12.701 -7.007 1.878 1.00 0.00 C ATOM 466 O CYS A 32 12.837 -6.169 2.766 1.00 0.00 O ATOM 467 CB CYS A 32 14.652 -5.923 0.735 1.00 0.00 C ATOM 468 SG CYS A 32 15.953 -6.015 -0.521 1.00 0.00 S ATOM 0 H CYS A 32 12.423 -6.602 -0.729 1.00 0.00 H new ATOM 0 HA CYS A 32 14.363 -8.025 1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 32 14.038 -5.043 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 32 15.114 -5.783 1.712 1.00 0.00 H new ATOM 473 N GLU A 33 11.649 -7.827 1.811 1.00 0.00 N ATOM 474 CA GLU A 33 10.585 -7.784 2.794 1.00 0.00 C ATOM 475 C GLU A 33 10.881 -8.761 3.923 1.00 0.00 C ATOM 476 O GLU A 33 10.190 -8.770 4.940 1.00 0.00 O ATOM 477 CB GLU A 33 9.259 -8.123 2.120 1.00 0.00 C ATOM 478 CG GLU A 33 8.107 -7.576 2.960 1.00 0.00 C ATOM 479 CD GLU A 33 7.174 -8.695 3.397 1.00 0.00 C ATOM 480 OE1 GLU A 33 6.684 -9.409 2.496 1.00 0.00 O ATOM 481 OE2 GLU A 33 6.968 -8.815 4.623 1.00 0.00 O ATOM 0 H GLU A 33 11.519 -8.527 1.081 1.00 0.00 H new ATOM 0 HA GLU A 33 10.518 -6.782 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.228 -7.695 1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.161 -9.203 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.503 -7.064 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.550 -6.837 2.384 1.00 0.00 H new ATOM 488 N LYS A 34 11.916 -9.585 3.743 1.00 0.00 N ATOM 489 CA LYS A 34 12.299 -10.560 4.745 1.00 0.00 C ATOM 490 C LYS A 34 13.099 -9.881 5.848 1.00 0.00 C ATOM 491 O LYS A 34 13.780 -10.547 6.625 1.00 0.00 O ATOM 492 CB LYS A 34 13.117 -11.669 4.089 1.00 0.00 C ATOM 493 CG LYS A 34 12.198 -12.543 3.241 1.00 0.00 C ATOM 494 CD LYS A 34 11.558 -13.613 4.121 1.00 0.00 C ATOM 495 CE LYS A 34 10.604 -14.459 3.283 1.00 0.00 C ATOM 496 NZ LYS A 34 11.295 -15.628 2.716 1.00 0.00 N ATOM 0 H LYS A 34 12.500 -9.590 2.907 1.00 0.00 H new ATOM 0 HA LYS A 34 11.406 -10.999 5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.902 -11.238 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.609 -12.273 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.426 -11.931 2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.765 -13.011 2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.329 -14.245 4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.018 -13.146 4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.768 -14.790 3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.186 -13.853 2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.625 -16.187 2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.077 -15.309 2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.672 -16.216 3.487 1.00 0.00 H new ATOM 510 N ASN A 35 13.015 -8.551 5.915 1.00 0.00 N ATOM 511 CA ASN A 35 13.729 -7.790 6.921 1.00 0.00 C ATOM 512 C ASN A 35 13.716 -6.311 6.559 1.00 0.00 C ATOM 513 O ASN A 35 13.101 -5.914 5.573 1.00 0.00 O ATOM 514 CB ASN A 35 15.161 -8.308 7.025 1.00 0.00 C ATOM 515 CG ASN A 35 15.361 -9.092 8.314 1.00 0.00 C ATOM 516 OD1 ASN A 35 15.041 -8.605 9.396 1.00 0.00 O ATOM 517 ND2 ASN A 35 15.892 -10.312 8.195 1.00 0.00 N ATOM 0 H ASN A 35 12.455 -7.984 5.278 1.00 0.00 H new ATOM 0 HA ASN A 35 13.240 -7.910 7.888 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.385 -8.944 6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.858 -7.471 6.991 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.048 -10.883 9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.141 -10.672 7.274 1.00 0.00 H new ATOM 524 N ASN A 36 14.400 -5.495 7.364 1.00 0.00 N ATOM 525 CA ASN A 36 14.465 -4.066 7.126 1.00 0.00 C ATOM 526 C ASN A 36 15.511 -3.765 6.062 1.00 0.00 C ATOM 527 O ASN A 36 16.007 -2.644 5.974 1.00 0.00 O ATOM 528 CB ASN A 36 14.799 -3.350 8.432 1.00 0.00 C ATOM 529 CG ASN A 36 16.267 -3.531 8.790 1.00 0.00 C ATOM 530 OD1 ASN A 36 16.721 -4.653 9.003 1.00 0.00 O ATOM 531 ND2 ASN A 36 17.008 -2.423 8.856 1.00 0.00 N ATOM 0 H ASN A 36 14.915 -5.808 8.187 1.00 0.00 H new ATOM 0 HA ASN A 36 13.500 -3.709 6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.572 -2.288 8.338 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.174 -3.740 9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.998 -2.485 9.092 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.584 -1.514 8.670 1.00 0.00 H new ATOM 538 N GLU A 37 15.845 -4.772 5.252 1.00 0.00 N ATOM 539 CA GLU A 37 16.827 -4.608 4.198 1.00 0.00 C ATOM 540 C GLU A 37 16.553 -3.325 3.427 1.00 0.00 C ATOM 541 O GLU A 37 15.457 -2.774 3.501 1.00 0.00 O ATOM 542 CB GLU A 37 16.781 -5.818 3.270 1.00 0.00 C ATOM 543 CG GLU A 37 17.941 -6.754 3.594 1.00 0.00 C ATOM 544 CD GLU A 37 19.058 -6.610 2.570 1.00 0.00 C ATOM 545 OE1 GLU A 37 19.282 -5.461 2.132 1.00 0.00 O ATOM 546 OE2 GLU A 37 19.666 -7.653 2.244 1.00 0.00 O ATOM 0 H GLU A 37 15.445 -5.708 5.313 1.00 0.00 H new ATOM 0 HA GLU A 37 17.824 -4.537 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.833 -6.343 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.840 -5.495 2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.325 -6.533 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.588 -7.785 3.610 1.00 0.00 H new ATOM 553 N VAL A 38 17.555 -2.850 2.683 1.00 0.00 N ATOM 554 CA VAL A 38 17.420 -1.638 1.902 1.00 0.00 C ATOM 555 C VAL A 38 18.181 -1.783 0.591 1.00 0.00 C ATOM 556 O VAL A 38 18.969 -2.712 0.428 1.00 0.00 O ATOM 557 CB VAL A 38 17.949 -0.454 2.706 1.00 0.00 C ATOM 558 CG1 VAL A 38 17.930 0.800 1.837 1.00 0.00 C ATOM 559 CG2 VAL A 38 17.065 -0.238 3.931 1.00 0.00 C ATOM 0 H VAL A 38 18.470 -3.296 2.611 1.00 0.00 H new ATOM 0 HA VAL A 38 16.369 -1.463 1.672 1.00 0.00 H new ATOM 0 HB VAL A 38 18.971 -0.658 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 38 18.308 1.646 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 38 18.560 0.645 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.908 1.006 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 38 17.441 0.608 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 38 16.043 -0.033 3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 38 17.078 -1.134 4.552 1.00 0.00 H new ATOM 569 N CYS A 39 17.944 -0.860 -0.344 1.00 0.00 N ATOM 570 CA CYS A 39 18.606 -0.888 -1.633 1.00 0.00 C ATOM 571 C CYS A 39 19.880 -0.059 -1.574 1.00 0.00 C ATOM 572 O CYS A 39 19.841 1.120 -1.228 1.00 0.00 O ATOM 573 CB CYS A 39 17.659 -0.351 -2.702 1.00 0.00 C ATOM 574 SG CYS A 39 15.907 -0.626 -2.338 1.00 0.00 S ATOM 0 H CYS A 39 17.294 -0.084 -0.223 1.00 0.00 H new ATOM 0 HA CYS A 39 18.874 -1.913 -1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.831 0.719 -2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.900 -0.821 -3.656 1.00 0.00 H new ATOM 579 N ALA A 40 21.013 -0.678 -1.915 1.00 0.00 N ATOM 580 CA ALA A 40 22.292 0.004 -1.898 1.00 0.00 C ATOM 581 C ALA A 40 22.986 -0.171 -3.241 1.00 0.00 C ATOM 582 O ALA A 40 23.098 -1.287 -3.743 1.00 0.00 O ATOM 583 CB ALA A 40 23.151 -0.555 -0.768 1.00 0.00 C ATOM 0 H ALA A 40 21.062 -1.654 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 40 22.139 1.069 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 40 24.113 -0.043 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.644 -0.401 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.310 -1.622 -0.926 1.00 0.00 H new ATOM 589 N ALA A 41 23.453 0.937 -3.822 1.00 0.00 N ATOM 590 CA ALA A 41 24.132 0.901 -5.101 1.00 0.00 C ATOM 591 C ALA A 41 25.430 1.691 -5.019 1.00 0.00 C ATOM 592 O ALA A 41 25.416 2.881 -4.712 1.00 0.00 O ATOM 593 CB ALA A 41 23.217 1.476 -6.178 1.00 0.00 C ATOM 0 H ALA A 41 23.368 1.870 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 41 24.373 -0.130 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.727 1.449 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.304 0.883 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.965 2.507 -5.929 1.00 0.00 H new ATOM 599 N VAL A 42 26.554 1.025 -5.293 1.00 0.00 N ATOM 600 CA VAL A 42 27.853 1.666 -5.248 1.00 0.00 C ATOM 601 C VAL A 42 28.471 1.675 -6.638 1.00 0.00 C ATOM 602 O VAL A 42 28.622 0.626 -7.261 1.00 0.00 O ATOM 603 CB VAL A 42 28.751 0.925 -4.262 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.162 -0.453 -3.972 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.145 0.765 -4.864 1.00 0.00 C ATOM 0 H VAL A 42 26.581 0.038 -5.549 1.00 0.00 H new ATOM 0 HA VAL A 42 27.743 2.698 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 42 28.818 1.494 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.804 -0.982 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.167 -0.340 -3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.094 -1.022 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.787 0.236 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.078 0.197 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.567 1.748 -5.071 1.00 0.00 H new ATOM 615 N TRP A 43 28.830 2.865 -7.127 1.00 0.00 N ATOM 616 CA TRP A 43 29.430 3.000 -8.439 1.00 0.00 C ATOM 617 C TRP A 43 30.924 3.253 -8.301 1.00 0.00 C ATOM 618 O TRP A 43 31.338 4.254 -7.720 1.00 0.00 O ATOM 619 CB TRP A 43 28.754 4.143 -9.190 1.00 0.00 C ATOM 620 CG TRP A 43 29.510 4.651 -10.377 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.379 4.190 -11.640 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.516 5.707 -10.441 1.00 0.00 C ATOM 623 NE1 TRP A 43 30.229 4.884 -12.475 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.955 5.833 -11.786 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.102 6.571 -9.498 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.921 6.765 -12.177 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.073 7.509 -9.880 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.483 7.608 -11.215 1.00 0.00 C ATOM 0 H TRP A 43 28.711 3.745 -6.626 1.00 0.00 H new ATOM 0 HA TRP A 43 29.290 2.078 -9.004 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.770 3.810 -9.520 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.595 4.970 -8.498 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.711 3.399 -11.948 1.00 0.00 H new ATOM 0 HE1 TRP A 43 30.311 4.716 -13.478 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.799 6.511 -8.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.229 6.832 -13.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.508 8.161 -9.137 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.231 8.333 -11.500 1.00 0.00 H new ATOM 639 N ARG A 44 31.736 2.340 -8.840 1.00 0.00 N ATOM 640 CA ARG A 44 33.178 2.466 -8.775 1.00 0.00 C ATOM 641 C ARG A 44 33.728 2.811 -10.152 1.00 0.00 C ATOM 642 O ARG A 44 33.175 2.392 -11.167 1.00 0.00 O ATOM 643 CB ARG A 44 33.779 1.160 -8.266 1.00 0.00 C ATOM 644 CG ARG A 44 32.658 0.206 -7.863 1.00 0.00 C ATOM 645 CD ARG A 44 33.202 -0.839 -6.894 1.00 0.00 C ATOM 646 NE ARG A 44 33.545 -2.077 -7.597 1.00 0.00 N ATOM 647 CZ ARG A 44 34.728 -2.689 -7.452 1.00 0.00 C ATOM 648 NH1 ARG A 44 35.656 -2.171 -6.635 1.00 0.00 N ATOM 649 NH2 ARG A 44 34.983 -3.821 -8.122 1.00 0.00 N ATOM 0 H ARG A 44 31.409 1.505 -9.326 1.00 0.00 H new ATOM 0 HA ARG A 44 33.446 3.267 -8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.397 0.705 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.429 1.355 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 44 31.844 0.761 -7.396 1.00 0.00 H new ATOM 0 HG3 ARG A 44 32.246 -0.282 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 44 34.085 -0.447 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.460 -1.048 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 44 32.854 -2.491 -8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 44 35.462 -1.310 -6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 44 36.556 -2.638 -6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 44 34.277 -4.217 -8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 44 35.884 -4.287 -8.012 1.00 0.00 H new ATOM 663 N ARG A 45 34.819 3.579 -10.185 1.00 0.00 N ATOM 664 CA ARG A 45 35.437 3.977 -11.434 1.00 0.00 C ATOM 665 C ARG A 45 36.952 3.957 -11.290 1.00 0.00 C ATOM 666 O ARG A 45 37.526 4.820 -10.627 1.00 0.00 O ATOM 667 CB ARG A 45 34.949 5.370 -11.821 1.00 0.00 C ATOM 668 CG ARG A 45 35.024 6.291 -10.606 1.00 0.00 C ATOM 669 CD ARG A 45 35.415 7.695 -11.055 1.00 0.00 C ATOM 670 NE ARG A 45 36.866 7.881 -10.993 1.00 0.00 N ATOM 671 CZ ARG A 45 37.639 7.932 -12.086 1.00 0.00 C ATOM 672 NH1 ARG A 45 37.088 7.813 -13.302 1.00 0.00 N ATOM 673 NH2 ARG A 45 38.962 8.103 -11.964 1.00 0.00 N ATOM 0 H ARG A 45 35.288 3.935 -9.352 1.00 0.00 H new ATOM 0 HA ARG A 45 35.158 3.277 -12.221 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.559 5.769 -12.631 1.00 0.00 H new ATOM 0 HB3 ARG A 45 33.924 5.319 -12.189 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.061 6.316 -10.095 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.754 5.910 -9.892 1.00 0.00 H new ATOM 0 HD2 ARG A 45 35.066 7.865 -12.074 1.00 0.00 H new ATOM 0 HD3 ARG A 45 34.923 8.433 -10.422 1.00 0.00 H new ATOM 0 HE ARG A 45 37.307 7.976 -10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 45 36.081 7.684 -13.395 1.00 0.00 H new ATOM 0 HH12 ARG A 45 37.676 7.852 -14.134 1.00 0.00 H new ATOM 0 HH21 ARG A 45 39.381 8.194 -11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 45 39.550 8.142 -12.796 1.00 0.00 H new ATOM 687 N ASN A 46 37.599 2.971 -11.912 1.00 0.00 N ATOM 688 CA ASN A 46 39.042 2.847 -11.850 1.00 0.00 C ATOM 689 C ASN A 46 39.648 3.146 -13.214 1.00 0.00 C ATOM 690 O ASN A 46 39.186 2.631 -14.229 1.00 0.00 O ATOM 691 CB ASN A 46 39.410 1.438 -11.394 1.00 0.00 C ATOM 692 CG ASN A 46 38.741 0.390 -12.270 1.00 0.00 C ATOM 693 OD1 ASN A 46 39.198 0.273 -13.519 1.00 0.00 O flip ATOM 694 ND2 ASN A 46 37.825 -0.300 -11.826 1.00 0.00 N flip ATOM 0 H ASN A 46 37.138 2.248 -12.464 1.00 0.00 H new ATOM 0 HA ASN A 46 39.441 3.565 -11.133 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.492 1.311 -11.431 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.107 1.297 -10.356 1.00 0.00 H new ATOM 0 HD21 ASN A 46 37.511 -0.173 -10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 46 37.379 -0.999 -12.420 1.00 0.00 H new ATOM 701 N ASP A 47 40.688 3.984 -13.233 1.00 0.00 N ATOM 702 CA ASP A 47 41.352 4.349 -14.469 1.00 0.00 C ATOM 703 C ASP A 47 40.318 4.571 -15.562 1.00 0.00 C ATOM 704 O ASP A 47 39.713 5.638 -15.640 1.00 0.00 O ATOM 705 CB ASP A 47 42.331 3.247 -14.864 1.00 0.00 C ATOM 706 CG ASP A 47 43.164 2.805 -13.669 1.00 0.00 C ATOM 707 OD1 ASP A 47 42.545 2.344 -12.685 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.404 2.936 -13.762 1.00 0.00 O ATOM 0 H ASP A 47 41.083 4.419 -12.399 1.00 0.00 H new ATOM 0 HA ASP A 47 41.908 5.276 -14.329 1.00 0.00 H new ATOM 0 HB2 ASP A 47 41.783 2.395 -15.265 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.987 3.605 -15.657 1.00 0.00 H new ATOM 713 N GLU A 48 40.117 3.560 -16.410 1.00 0.00 N ATOM 714 CA GLU A 48 39.158 3.652 -17.493 1.00 0.00 C ATOM 715 C GLU A 48 38.162 2.504 -17.405 1.00 0.00 C ATOM 716 O GLU A 48 37.450 2.219 -18.365 1.00 0.00 O ATOM 717 CB GLU A 48 39.896 3.627 -18.828 1.00 0.00 C ATOM 718 CG GLU A 48 39.008 4.233 -19.911 1.00 0.00 C ATOM 719 CD GLU A 48 39.758 4.341 -21.231 1.00 0.00 C ATOM 720 OE1 GLU A 48 40.645 5.218 -21.309 1.00 0.00 O ATOM 721 OE2 GLU A 48 39.430 3.543 -22.136 1.00 0.00 O ATOM 0 H GLU A 48 40.611 2.669 -16.360 1.00 0.00 H new ATOM 0 HA GLU A 48 38.606 4.589 -17.414 1.00 0.00 H new ATOM 0 HB2 GLU A 48 40.828 4.187 -18.751 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.160 2.603 -19.090 1.00 0.00 H new ATOM 0 HG2 GLU A 48 38.118 3.618 -20.043 1.00 0.00 H new ATOM 0 HG3 GLU A 48 38.669 5.221 -19.599 1.00 0.00 H new ATOM 728 N ASN A 49 38.114 1.844 -16.245 1.00 0.00 N ATOM 729 CA ASN A 49 37.207 0.732 -16.037 1.00 0.00 C ATOM 730 C ASN A 49 36.262 1.043 -14.885 1.00 0.00 C ATOM 731 O ASN A 49 36.617 0.869 -13.722 1.00 0.00 O ATOM 732 CB ASN A 49 38.013 -0.532 -15.749 1.00 0.00 C ATOM 733 CG ASN A 49 37.777 -1.582 -16.825 1.00 0.00 C ATOM 734 OD1 ASN A 49 36.710 -1.620 -17.434 1.00 0.00 O ATOM 735 ND2 ASN A 49 38.777 -2.435 -17.058 1.00 0.00 N ATOM 0 H ASN A 49 38.697 2.068 -15.439 1.00 0.00 H new ATOM 0 HA ASN A 49 36.611 0.572 -16.935 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.074 -0.288 -15.699 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.732 -0.933 -14.775 1.00 0.00 H new ATOM 0 HD21 ASN A 49 38.674 -3.159 -17.769 1.00 0.00 H new ATOM 0 HD22 ASN A 49 39.644 -2.362 -16.525 1.00 0.00 H new ATOM 742 N VAL A 50 35.052 1.504 -15.214 1.00 0.00 N ATOM 743 CA VAL A 50 34.062 1.836 -14.210 1.00 0.00 C ATOM 744 C VAL A 50 33.107 0.666 -14.022 1.00 0.00 C ATOM 745 O VAL A 50 32.584 0.126 -14.994 1.00 0.00 O ATOM 746 CB VAL A 50 33.304 3.089 -14.640 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.143 3.335 -13.681 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.248 4.287 -14.614 1.00 0.00 C ATOM 0 H VAL A 50 34.743 1.653 -16.174 1.00 0.00 H new ATOM 0 HA VAL A 50 34.555 2.034 -13.258 1.00 0.00 H new ATOM 0 HB VAL A 50 32.918 2.952 -15.650 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.601 4.230 -13.988 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.469 2.479 -13.699 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.528 3.473 -12.671 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.708 5.183 -14.921 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.634 4.424 -13.604 1.00 0.00 H new ATOM 0 HG23 VAL A 50 35.078 4.111 -15.299 1.00 0.00 H new ATOM 758 N THR A 51 32.881 0.274 -12.766 1.00 0.00 N ATOM 759 CA THR A 51 31.990 -0.828 -12.462 1.00 0.00 C ATOM 760 C THR A 51 30.908 -0.368 -11.495 1.00 0.00 C ATOM 761 O THR A 51 31.181 0.384 -10.563 1.00 0.00 O ATOM 762 CB THR A 51 32.794 -1.980 -11.865 1.00 0.00 C ATOM 763 OG1 THR A 51 32.899 -1.807 -10.470 1.00 0.00 O ATOM 764 CG2 THR A 51 34.190 -1.999 -12.481 1.00 0.00 C ATOM 0 H THR A 51 33.307 0.709 -11.948 1.00 0.00 H new ATOM 0 HA THR A 51 31.508 -1.173 -13.377 1.00 0.00 H new ATOM 0 HB THR A 51 32.290 -2.923 -12.077 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.542 -2.452 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.765 -2.821 -12.055 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.110 -2.133 -13.560 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.694 -1.056 -12.269 1.00 0.00 H new ATOM 772 N LEU A 52 29.674 -0.826 -11.721 1.00 0.00 N ATOM 773 CA LEU A 52 28.557 -0.463 -10.873 1.00 0.00 C ATOM 774 C LEU A 52 27.964 -1.711 -10.236 1.00 0.00 C ATOM 775 O LEU A 52 27.744 -2.713 -10.913 1.00 0.00 O ATOM 776 CB LEU A 52 27.506 0.271 -11.702 1.00 0.00 C ATOM 777 CG LEU A 52 26.778 1.282 -10.821 1.00 0.00 C ATOM 778 CD1 LEU A 52 25.979 2.240 -11.700 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.831 0.545 -9.879 1.00 0.00 C ATOM 0 H LEU A 52 29.432 -1.451 -12.490 1.00 0.00 H new ATOM 0 HA LEU A 52 28.901 0.198 -10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.980 0.779 -12.542 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.795 -0.441 -12.120 1.00 0.00 H new ATOM 0 HG LEU A 52 27.505 1.846 -10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.459 2.963 -11.071 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.656 2.766 -12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.251 1.677 -12.284 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.310 1.266 -9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 52 25.103 -0.019 -10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.402 -0.139 -9.251 1.00 0.00 H new ATOM 791 N GLU A 53 27.706 -1.651 -8.927 1.00 0.00 N ATOM 792 CA GLU A 53 27.140 -2.774 -8.209 1.00 0.00 C ATOM 793 C GLU A 53 25.839 -2.360 -7.536 1.00 0.00 C ATOM 794 O GLU A 53 25.746 -1.271 -6.973 1.00 0.00 O ATOM 795 CB GLU A 53 28.147 -3.275 -7.177 1.00 0.00 C ATOM 796 CG GLU A 53 27.913 -4.760 -6.917 1.00 0.00 C ATOM 797 CD GLU A 53 28.550 -5.189 -5.604 1.00 0.00 C ATOM 798 OE1 GLU A 53 28.606 -4.334 -4.694 1.00 0.00 O ATOM 799 OE2 GLU A 53 28.970 -6.365 -5.534 1.00 0.00 O ATOM 0 H GLU A 53 27.884 -0.829 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 53 26.920 -3.581 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 53 29.163 -3.114 -7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 53 28.044 -2.712 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.843 -4.964 -6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 53 28.329 -5.347 -7.736 1.00 0.00 H new ATOM 806 N THR A 54 24.832 -3.234 -7.595 1.00 0.00 N ATOM 807 CA THR A 54 23.545 -2.954 -6.990 1.00 0.00 C ATOM 808 C THR A 54 23.032 -4.190 -6.267 1.00 0.00 C ATOM 809 O THR A 54 22.969 -5.272 -6.847 1.00 0.00 O ATOM 810 CB THR A 54 22.562 -2.512 -8.072 1.00 0.00 C ATOM 811 OG1 THR A 54 23.276 -2.012 -9.180 1.00 0.00 O ATOM 812 CG2 THR A 54 21.652 -1.420 -7.517 1.00 0.00 C ATOM 0 H THR A 54 24.891 -4.141 -8.058 1.00 0.00 H new ATOM 0 HA THR A 54 23.649 -2.151 -6.261 1.00 0.00 H new ATOM 0 HB THR A 54 21.958 -3.364 -8.384 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.056 -2.540 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 54 20.950 -1.104 -8.289 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.100 -1.807 -6.661 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.255 -0.568 -7.204 1.00 0.00 H new ATOM 820 N ILE A 55 22.663 -4.025 -4.995 1.00 0.00 N ATOM 821 CA ILE A 55 22.155 -5.123 -4.196 1.00 0.00 C ATOM 822 C ILE A 55 21.583 -4.589 -2.891 1.00 0.00 C ATOM 823 O ILE A 55 21.809 -3.432 -2.540 1.00 0.00 O ATOM 824 CB ILE A 55 23.281 -6.118 -3.926 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.617 -5.382 -3.905 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.300 -7.174 -5.027 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.623 -4.372 -2.762 1.00 0.00 C ATOM 0 H ILE A 55 22.710 -3.134 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 55 21.358 -5.634 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 55 23.117 -6.600 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.434 -6.093 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.779 -4.873 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.104 -7.885 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.346 -7.700 -5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.464 -6.692 -5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.577 -3.846 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.815 -3.654 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.481 -4.893 -1.815 1.00 0.00 H new ATOM 839 N CYS A 56 20.840 -5.432 -2.172 1.00 0.00 N ATOM 840 CA CYS A 56 20.239 -5.042 -0.913 1.00 0.00 C ATOM 841 C CYS A 56 21.280 -5.108 0.196 1.00 0.00 C ATOM 842 O CYS A 56 21.434 -6.139 0.847 1.00 0.00 O ATOM 843 CB CYS A 56 19.061 -5.962 -0.604 1.00 0.00 C ATOM 844 SG CYS A 56 17.547 -5.087 -0.138 1.00 0.00 S ATOM 0 H CYS A 56 20.644 -6.394 -2.450 1.00 0.00 H new ATOM 0 HA CYS A 56 19.873 -4.018 -0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 56 18.857 -6.580 -1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 56 19.342 -6.637 0.205 1.00 0.00 H new ATOM 849 N HIS A 57 21.998 -4.002 0.409 1.00 0.00 N ATOM 850 CA HIS A 57 23.020 -3.945 1.436 1.00 0.00 C ATOM 851 C HIS A 57 22.512 -3.148 2.630 1.00 0.00 C ATOM 852 O HIS A 57 21.753 -2.197 2.469 1.00 0.00 O ATOM 853 CB HIS A 57 24.282 -3.308 0.859 1.00 0.00 C ATOM 854 CG HIS A 57 25.133 -2.651 1.911 1.00 0.00 C ATOM 855 ND1 HIS A 57 26.109 -3.262 2.663 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.074 -1.337 2.292 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.627 -2.328 3.482 1.00 0.00 C ATOM 858 NE2 HIS A 57 26.030 -1.139 3.293 1.00 0.00 N ATOM 0 H HIS A 57 21.884 -3.138 -0.121 1.00 0.00 H new ATOM 0 HA HIS A 57 23.257 -4.954 1.774 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.868 -4.071 0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 57 24.001 -2.567 0.110 1.00 0.00 H new ATOM 0 HD1 HIS A 57 26.389 -4.242 2.610 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.408 -0.587 1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 57 27.417 -2.510 4.196 1.00 0.00 H new ATOM 866 N ASP A 58 22.936 -3.543 3.834 1.00 0.00 N ATOM 867 CA ASP A 58 22.524 -2.868 5.047 1.00 0.00 C ATOM 868 C ASP A 58 23.273 -1.551 5.185 1.00 0.00 C ATOM 869 O ASP A 58 24.502 -1.530 5.169 1.00 0.00 O ATOM 870 CB ASP A 58 22.794 -3.772 6.247 1.00 0.00 C ATOM 871 CG ASP A 58 22.595 -3.016 7.553 1.00 0.00 C ATOM 872 OD1 ASP A 58 22.048 -1.894 7.482 1.00 0.00 O ATOM 873 OD2 ASP A 58 22.994 -3.573 8.598 1.00 0.00 O ATOM 0 H ASP A 58 23.566 -4.331 3.985 1.00 0.00 H new ATOM 0 HA ASP A 58 21.456 -2.652 5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.127 -4.633 6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.813 -4.156 6.196 1.00 0.00 H new ATOM 878 N PRO A 59 22.530 -0.450 5.318 1.00 0.00 N ATOM 879 CA PRO A 59 23.069 0.885 5.462 1.00 0.00 C ATOM 880 C PRO A 59 23.680 1.044 6.847 1.00 0.00 C ATOM 881 O PRO A 59 23.922 2.161 7.297 1.00 0.00 O ATOM 882 CB PRO A 59 21.869 1.813 5.284 1.00 0.00 C ATOM 883 CG PRO A 59 20.707 0.967 5.804 1.00 0.00 C ATOM 884 CD PRO A 59 21.084 -0.439 5.340 1.00 0.00 C ATOM 0 HA PRO A 59 23.856 1.104 4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.984 2.736 5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.728 2.096 4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.617 1.025 6.889 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.753 1.289 5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.694 -1.197 6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.672 -0.653 4.354 1.00 0.00 H new ATOM 892 N GLN A 60 23.927 -0.081 7.524 1.00 0.00 N ATOM 893 CA GLN A 60 24.504 -0.061 8.853 1.00 0.00 C ATOM 894 C GLN A 60 25.994 -0.364 8.773 1.00 0.00 C ATOM 895 O GLN A 60 26.803 0.318 9.399 1.00 0.00 O ATOM 896 CB GLN A 60 23.790 -1.084 9.732 1.00 0.00 C ATOM 897 CG GLN A 60 23.889 -0.658 11.194 1.00 0.00 C ATOM 898 CD GLN A 60 22.507 -0.525 11.814 1.00 0.00 C ATOM 899 OE1 GLN A 60 21.757 0.389 11.476 1.00 0.00 O ATOM 900 NE2 GLN A 60 22.169 -1.439 12.727 1.00 0.00 N ATOM 0 H GLN A 60 23.732 -1.015 7.164 1.00 0.00 H new ATOM 0 HA GLN A 60 24.378 0.928 9.294 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.744 -1.166 9.436 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.237 -2.069 9.598 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.473 -1.390 11.752 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.417 0.293 11.265 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.825 -2.179 12.975 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.254 -1.397 13.176 1.00 0.00 H new ATOM 909 N LYS A 61 26.355 -1.391 8.001 1.00 0.00 N ATOM 910 CA LYS A 61 27.742 -1.779 7.845 1.00 0.00 C ATOM 911 C LYS A 61 28.393 -0.940 6.754 1.00 0.00 C ATOM 912 O LYS A 61 27.711 -0.425 5.871 1.00 0.00 O ATOM 913 CB LYS A 61 27.820 -3.263 7.504 1.00 0.00 C ATOM 914 CG LYS A 61 26.598 -3.661 6.680 1.00 0.00 C ATOM 915 CD LYS A 61 26.620 -5.166 6.429 1.00 0.00 C ATOM 916 CE LYS A 61 26.034 -5.461 5.051 1.00 0.00 C ATOM 917 NZ LYS A 61 27.012 -6.153 4.198 1.00 0.00 N ATOM 0 H LYS A 61 25.696 -1.966 7.476 1.00 0.00 H new ATOM 0 HA LYS A 61 28.278 -1.606 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.732 -3.471 6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.864 -3.855 8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 61 25.685 -3.383 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.595 -3.124 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 61 27.642 -5.541 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 61 26.046 -5.682 7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 61 25.140 -6.075 5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 61 25.727 -4.529 4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.589 -6.342 3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 27.855 -5.555 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 27.285 -7.052 4.643 1.00 0.00 H new ATOM 931 N ARG A 62 29.720 -0.806 6.816 1.00 0.00 N ATOM 932 CA ARG A 62 30.457 -0.031 5.838 1.00 0.00 C ATOM 933 C ARG A 62 30.878 -0.929 4.683 1.00 0.00 C ATOM 934 O ARG A 62 31.647 -1.868 4.871 1.00 0.00 O ATOM 935 CB ARG A 62 31.676 0.599 6.503 1.00 0.00 C ATOM 936 CG ARG A 62 32.067 -0.219 7.731 1.00 0.00 C ATOM 937 CD ARG A 62 31.062 0.033 8.851 1.00 0.00 C ATOM 938 NE ARG A 62 31.694 0.708 9.984 1.00 0.00 N ATOM 939 CZ ARG A 62 30.994 1.262 10.983 1.00 0.00 C ATOM 940 NH1 ARG A 62 29.655 1.210 10.971 1.00 0.00 N ATOM 941 NH2 ARG A 62 31.632 1.868 11.993 1.00 0.00 N ATOM 0 H ARG A 62 30.300 -1.230 7.540 1.00 0.00 H new ATOM 0 HA ARG A 62 29.823 0.764 5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.508 0.638 5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 62 31.455 1.626 6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.092 -1.280 7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 62 33.070 0.055 8.059 1.00 0.00 H new ATOM 0 HD2 ARG A 62 30.239 0.640 8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.635 -0.914 9.180 1.00 0.00 H new ATOM 0 HE ARG A 62 32.712 0.759 10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 62 29.169 0.749 10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 62 29.121 1.632 11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 62 32.651 1.908 12.002 1.00 0.00 H new ATOM 0 HH22 ARG A 62 31.099 2.290 12.753 1.00 0.00 H new ATOM 955 N LEU A 63 30.371 -0.636 3.482 1.00 0.00 N ATOM 956 CA LEU A 63 30.696 -1.415 2.304 1.00 0.00 C ATOM 957 C LEU A 63 31.928 -0.834 1.624 1.00 0.00 C ATOM 958 O LEU A 63 32.066 0.382 1.518 1.00 0.00 O ATOM 959 CB LEU A 63 29.503 -1.416 1.351 1.00 0.00 C ATOM 960 CG LEU A 63 29.990 -1.675 -0.071 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.062 -2.679 -0.752 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.987 -0.366 -0.856 1.00 0.00 C ATOM 0 H LEU A 63 29.732 0.140 3.309 1.00 0.00 H new ATOM 0 HA LEU A 63 30.916 -2.443 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 63 28.788 -2.183 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 63 28.983 -0.459 1.400 1.00 0.00 H new ATOM 0 HG LEU A 63 31.002 -2.078 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 63 29.410 -2.864 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 63 29.064 -3.614 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.050 -2.276 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 63 30.335 -0.550 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.975 0.038 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 63 30.649 0.351 -0.370 1.00 0.00 H new ATOM 974 N TYR A 64 32.824 -1.709 1.163 1.00 0.00 N ATOM 975 CA TYR A 64 34.038 -1.278 0.499 1.00 0.00 C ATOM 976 C TYR A 64 34.752 -0.238 1.349 1.00 0.00 C ATOM 977 O TYR A 64 35.537 0.556 0.836 1.00 0.00 O ATOM 978 CB TYR A 64 33.690 -0.708 -0.874 1.00 0.00 C ATOM 979 CG TYR A 64 33.018 -1.705 -1.788 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.465 -3.031 -1.828 1.00 0.00 C ATOM 981 CD2 TYR A 64 31.947 -1.303 -2.595 1.00 0.00 C ATOM 982 CE1 TYR A 64 32.841 -3.955 -2.675 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.323 -2.227 -3.442 1.00 0.00 C ATOM 984 CZ TYR A 64 31.770 -3.553 -3.482 1.00 0.00 C ATOM 985 OH TYR A 64 31.163 -4.453 -4.309 1.00 0.00 O ATOM 0 H TYR A 64 32.724 -2.721 1.242 1.00 0.00 H new ATOM 0 HA TYR A 64 34.706 -2.129 0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.035 0.154 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.602 -0.347 -1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.291 -3.341 -1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.602 -0.280 -2.564 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.186 -4.978 -2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.497 -1.917 -4.064 1.00 0.00 H new ATOM 0 HH TYR A 64 30.240 -4.599 -4.013 1.00 0.00 H new ATOM 995 N GLY A 65 34.477 -0.244 2.656 1.00 0.00 N ATOM 996 CA GLY A 65 35.094 0.698 3.568 1.00 0.00 C ATOM 997 C GLY A 65 34.502 2.086 3.372 1.00 0.00 C ATOM 998 O GLY A 65 35.122 3.087 3.723 1.00 0.00 O ATOM 0 H GLY A 65 33.829 -0.896 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 65 34.942 0.372 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.170 0.727 3.399 1.00 0.00 H new ATOM 1002 N HIS A 66 33.293 2.144 2.808 1.00 0.00 N ATOM 1003 CA HIS A 66 32.625 3.409 2.568 1.00 0.00 C ATOM 1004 C HIS A 66 31.445 3.562 3.518 1.00 0.00 C ATOM 1005 O HIS A 66 30.884 2.571 3.982 1.00 0.00 O ATOM 1006 CB HIS A 66 32.161 3.468 1.116 1.00 0.00 C ATOM 1007 CG HIS A 66 33.302 3.412 0.139 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.641 3.356 0.456 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.197 3.407 -1.226 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.325 3.319 -0.701 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.491 3.347 -1.753 1.00 0.00 N ATOM 0 H HIS A 66 32.763 1.325 2.512 1.00 0.00 H new ATOM 0 HA HIS A 66 33.318 4.230 2.750 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.481 2.638 0.922 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.596 4.387 0.956 1.00 0.00 H new ATOM 0 HD1 HIS A 66 35.040 3.345 1.395 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.279 3.443 -1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.402 3.273 -0.774 1.00 0.00 H new ATOM 1019 N MET A 67 31.068 4.809 3.806 1.00 0.00 N ATOM 1020 CA MET A 67 29.960 5.085 4.698 1.00 0.00 C ATOM 1021 C MET A 67 28.699 5.355 3.891 1.00 0.00 C ATOM 1022 O MET A 67 28.701 6.193 2.990 1.00 0.00 O ATOM 1023 CB MET A 67 30.304 6.283 5.578 1.00 0.00 C ATOM 1024 CG MET A 67 31.145 7.276 4.782 1.00 0.00 C ATOM 1025 SD MET A 67 30.725 9.009 5.089 1.00 0.00 S ATOM 1026 CE MET A 67 32.356 9.751 4.843 1.00 0.00 C ATOM 0 H MET A 67 31.521 5.641 3.429 1.00 0.00 H new ATOM 0 HA MET A 67 29.779 4.220 5.336 1.00 0.00 H new ATOM 0 HB2 MET A 67 29.391 6.763 5.929 1.00 0.00 H new ATOM 0 HB3 MET A 67 30.851 5.953 6.461 1.00 0.00 H new ATOM 0 HG2 MET A 67 32.197 7.120 5.022 1.00 0.00 H new ATOM 0 HG3 MET A 67 31.026 7.067 3.719 1.00 0.00 H new ATOM 0 HE1 MET A 67 32.292 10.829 4.993 1.00 0.00 H new ATOM 0 HE2 MET A 67 33.060 9.327 5.558 1.00 0.00 H new ATOM 0 HE3 MET A 67 32.700 9.546 3.829 1.00 0.00 H new ATOM 1036 N LEU A 68 27.618 4.640 4.214 1.00 0.00 N ATOM 1037 CA LEU A 68 26.356 4.805 3.521 1.00 0.00 C ATOM 1038 C LEU A 68 25.652 6.058 4.021 1.00 0.00 C ATOM 1039 O LEU A 68 25.872 6.489 5.151 1.00 0.00 O ATOM 1040 CB LEU A 68 25.489 3.570 3.747 1.00 0.00 C ATOM 1041 CG LEU A 68 25.091 2.975 2.398 1.00 0.00 C ATOM 1042 CD1 LEU A 68 24.682 4.097 1.448 1.00 0.00 C ATOM 1043 CD2 LEU A 68 26.276 2.215 1.809 1.00 0.00 C ATOM 0 H LEU A 68 27.601 3.940 4.956 1.00 0.00 H new ATOM 0 HA LEU A 68 26.535 4.917 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 68 26.034 2.832 4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.598 3.837 4.316 1.00 0.00 H new ATOM 0 HG LEU A 68 24.253 2.292 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 68 24.398 3.673 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 68 23.836 4.640 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 68 25.520 4.781 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 68 25.993 1.790 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 68 27.114 2.898 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.568 1.414 2.488 1.00 0.00 H new ATOM 1055 N ASP A 69 24.801 6.642 3.175 1.00 0.00 N ATOM 1056 CA ASP A 69 24.069 7.841 3.533 1.00 0.00 C ATOM 1057 C ASP A 69 23.067 8.178 2.439 1.00 0.00 C ATOM 1058 O ASP A 69 23.292 7.869 1.271 1.00 0.00 O ATOM 1059 CB ASP A 69 25.049 8.990 3.743 1.00 0.00 C ATOM 1060 CG ASP A 69 24.997 9.496 5.178 1.00 0.00 C ATOM 1061 OD1 ASP A 69 24.104 10.325 5.454 1.00 0.00 O ATOM 1062 OD2 ASP A 69 25.849 9.043 5.971 1.00 0.00 O ATOM 0 H ASP A 69 24.607 6.296 2.235 1.00 0.00 H new ATOM 0 HA ASP A 69 23.521 7.675 4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 69 26.060 8.658 3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.813 9.804 3.058 1.00 0.00 H new ATOM 1067 N ASP A 70 21.957 8.817 2.819 1.00 0.00 N ATOM 1068 CA ASP A 70 20.928 9.191 1.870 1.00 0.00 C ATOM 1069 C ASP A 70 20.046 7.989 1.565 1.00 0.00 C ATOM 1070 O ASP A 70 19.688 7.756 0.413 1.00 0.00 O ATOM 1071 CB ASP A 70 21.581 9.720 0.595 1.00 0.00 C ATOM 1072 CG ASP A 70 20.649 10.674 -0.138 1.00 0.00 C ATOM 1073 OD1 ASP A 70 19.542 10.220 -0.499 1.00 0.00 O ATOM 1074 OD2 ASP A 70 21.061 11.840 -0.323 1.00 0.00 O ATOM 0 H ASP A 70 21.756 9.083 3.783 1.00 0.00 H new ATOM 0 HA ASP A 70 20.303 9.976 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.510 10.233 0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.841 8.887 -0.058 1.00 0.00 H new ATOM 1079 N SER A 71 19.696 7.226 2.602 1.00 0.00 N ATOM 1080 CA SER A 71 18.858 6.055 2.439 1.00 0.00 C ATOM 1081 C SER A 71 17.434 6.374 2.871 1.00 0.00 C ATOM 1082 O SER A 71 16.569 5.500 2.866 1.00 0.00 O ATOM 1083 CB SER A 71 19.429 4.904 3.264 1.00 0.00 C ATOM 1084 OG SER A 71 19.018 5.040 4.607 1.00 0.00 O ATOM 0 H SER A 71 19.985 7.406 3.563 1.00 0.00 H new ATOM 0 HA SER A 71 18.839 5.759 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.087 3.950 2.863 1.00 0.00 H new ATOM 0 HB3 SER A 71 20.517 4.904 3.204 1.00 0.00 H new ATOM 0 HG SER A 71 19.383 4.301 5.137 1.00 0.00 H new ATOM 1090 N SER A 72 17.191 7.633 3.246 1.00 0.00 N ATOM 1091 CA SER A 72 15.875 8.060 3.676 1.00 0.00 C ATOM 1092 C SER A 72 15.337 9.115 2.718 1.00 0.00 C ATOM 1093 O SER A 72 14.130 9.339 2.652 1.00 0.00 O ATOM 1094 CB SER A 72 15.960 8.612 5.096 1.00 0.00 C ATOM 1095 OG SER A 72 16.412 9.947 5.055 1.00 0.00 O ATOM 0 H SER A 72 17.897 8.369 3.257 1.00 0.00 H new ATOM 0 HA SER A 72 15.192 7.211 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.983 8.562 5.576 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.640 8.005 5.694 1.00 0.00 H new ATOM 0 HG SER A 72 16.465 10.303 5.967 1.00 0.00 H new ATOM 1101 N SER A 73 16.237 9.762 1.975 1.00 0.00 N ATOM 1102 CA SER A 73 15.848 10.784 1.025 1.00 0.00 C ATOM 1103 C SER A 73 15.275 10.137 -0.227 1.00 0.00 C ATOM 1104 O SER A 73 15.528 8.964 -0.495 1.00 0.00 O ATOM 1105 CB SER A 73 17.061 11.646 0.682 1.00 0.00 C ATOM 1106 OG SER A 73 16.637 12.958 0.391 1.00 0.00 O ATOM 0 H SER A 73 17.241 9.589 2.020 1.00 0.00 H new ATOM 0 HA SER A 73 15.079 11.419 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.762 11.655 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.590 11.225 -0.173 1.00 0.00 H new ATOM 0 HG SER A 73 17.415 13.512 0.172 1.00 0.00 H new ATOM 1112 N GLU A 74 14.501 10.906 -0.997 1.00 0.00 N ATOM 1113 CA GLU A 74 13.900 10.403 -2.216 1.00 0.00 C ATOM 1114 C GLU A 74 14.977 10.153 -3.262 1.00 0.00 C ATOM 1115 O GLU A 74 14.916 9.171 -3.998 1.00 0.00 O ATOM 1116 CB GLU A 74 12.873 11.409 -2.727 1.00 0.00 C ATOM 1117 CG GLU A 74 11.468 10.850 -2.526 1.00 0.00 C ATOM 1118 CD GLU A 74 10.923 11.229 -1.156 1.00 0.00 C ATOM 1119 OE1 GLU A 74 11.520 10.766 -0.160 1.00 0.00 O ATOM 1120 OE2 GLU A 74 9.918 11.973 -1.131 1.00 0.00 O ATOM 0 H GLU A 74 14.281 11.880 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 74 13.396 9.458 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.979 12.355 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.046 11.616 -3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.806 11.231 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.486 9.765 -2.627 1.00 0.00 H new ATOM 1127 N GLN A 75 15.966 11.048 -3.326 1.00 0.00 N ATOM 1128 CA GLN A 75 17.050 10.922 -4.279 1.00 0.00 C ATOM 1129 C GLN A 75 18.302 10.418 -3.574 1.00 0.00 C ATOM 1130 O GLN A 75 18.908 11.144 -2.789 1.00 0.00 O ATOM 1131 CB GLN A 75 17.305 12.274 -4.937 1.00 0.00 C ATOM 1132 CG GLN A 75 16.065 12.706 -5.713 1.00 0.00 C ATOM 1133 CD GLN A 75 15.709 14.154 -5.405 1.00 0.00 C ATOM 1134 OE1 GLN A 75 14.616 14.436 -4.920 1.00 0.00 O ATOM 1135 NE2 GLN A 75 16.636 15.072 -5.690 1.00 0.00 N ATOM 0 H GLN A 75 16.030 11.868 -2.723 1.00 0.00 H new ATOM 0 HA GLN A 75 16.780 10.202 -5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.550 13.018 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 75 18.162 12.208 -5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 75 16.242 12.590 -6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.227 12.059 -5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 75 17.529 14.787 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.451 16.058 -5.505 1.00 0.00 H new ATOM 1144 N CYS A 76 18.688 9.173 -3.857 1.00 0.00 N ATOM 1145 CA CYS A 76 19.863 8.579 -3.252 1.00 0.00 C ATOM 1146 C CYS A 76 21.117 9.249 -3.797 1.00 0.00 C ATOM 1147 O CYS A 76 21.298 9.338 -5.009 1.00 0.00 O ATOM 1148 CB CYS A 76 19.881 7.081 -3.541 1.00 0.00 C ATOM 1149 SG CYS A 76 21.246 6.196 -2.748 1.00 0.00 S ATOM 0 H CYS A 76 18.195 8.560 -4.506 1.00 0.00 H new ATOM 0 HA CYS A 76 19.836 8.727 -2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 76 18.938 6.646 -3.210 1.00 0.00 H new ATOM 0 HB3 CYS A 76 19.941 6.930 -4.619 1.00 0.00 H new ATOM 1154 N VAL A 77 21.981 9.722 -2.897 1.00 0.00 N ATOM 1155 CA VAL A 77 23.211 10.381 -3.289 1.00 0.00 C ATOM 1156 C VAL A 77 24.405 9.609 -2.748 1.00 0.00 C ATOM 1157 O VAL A 77 24.433 9.249 -1.573 1.00 0.00 O ATOM 1158 CB VAL A 77 23.210 11.814 -2.765 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.591 11.814 -1.287 1.00 0.00 C ATOM 1160 CG2 VAL A 77 24.220 12.644 -3.551 1.00 0.00 C ATOM 0 H VAL A 77 21.843 9.656 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 77 23.283 10.407 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 77 22.216 12.244 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.591 12.837 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.869 11.221 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.585 11.384 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 77 24.219 13.668 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 77 25.215 12.215 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.948 12.643 -4.607 1.00 0.00 H new ATOM 1170 N MET A 78 25.394 9.354 -3.608 1.00 0.00 N ATOM 1171 CA MET A 78 26.582 8.625 -3.211 1.00 0.00 C ATOM 1172 C MET A 78 27.706 9.601 -2.892 1.00 0.00 C ATOM 1173 O MET A 78 27.691 10.742 -3.348 1.00 0.00 O ATOM 1174 CB MET A 78 26.993 7.676 -4.332 1.00 0.00 C ATOM 1175 CG MET A 78 27.665 8.469 -5.451 1.00 0.00 C ATOM 1176 SD MET A 78 26.806 10.004 -5.880 1.00 0.00 S ATOM 1177 CE MET A 78 28.225 11.125 -5.932 1.00 0.00 C ATOM 0 H MET A 78 25.387 9.646 -4.585 1.00 0.00 H new ATOM 0 HA MET A 78 26.371 8.040 -2.315 1.00 0.00 H new ATOM 0 HB2 MET A 78 27.676 6.918 -3.949 1.00 0.00 H new ATOM 0 HB3 MET A 78 26.119 7.152 -4.718 1.00 0.00 H new ATOM 0 HG2 MET A 78 28.686 8.707 -5.152 1.00 0.00 H new ATOM 0 HG3 MET A 78 27.731 7.841 -6.339 1.00 0.00 H new ATOM 0 HE1 MET A 78 27.873 12.156 -5.971 1.00 0.00 H new ATOM 0 HE2 MET A 78 28.834 10.983 -5.039 1.00 0.00 H new ATOM 0 HE3 MET A 78 28.825 10.912 -6.817 1.00 0.00 H new ATOM 1187 N LYS A 79 28.683 9.147 -2.104 1.00 0.00 N ATOM 1188 CA LYS A 79 29.809 9.980 -1.729 1.00 0.00 C ATOM 1189 C LYS A 79 31.112 9.297 -2.120 1.00 0.00 C ATOM 1190 O LYS A 79 31.174 8.073 -2.204 1.00 0.00 O ATOM 1191 CB LYS A 79 29.767 10.243 -0.226 1.00 0.00 C ATOM 1192 CG LYS A 79 29.543 11.732 0.024 1.00 0.00 C ATOM 1193 CD LYS A 79 28.371 11.917 0.983 1.00 0.00 C ATOM 1194 CE LYS A 79 27.119 12.289 0.192 1.00 0.00 C ATOM 1195 NZ LYS A 79 26.722 13.681 0.459 1.00 0.00 N ATOM 0 H LYS A 79 28.710 8.204 -1.717 1.00 0.00 H new ATOM 0 HA LYS A 79 29.751 10.933 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.967 9.662 0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 79 30.700 9.922 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 79 30.444 12.181 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 79 29.341 12.243 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.199 10.999 1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.601 12.697 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 79 27.305 12.158 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 79 26.303 11.617 0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 25.869 13.910 -0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 26.523 13.797 1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 27.494 14.321 0.183 1.00 0.00 H new ATOM 1209 N GLU A 80 32.155 10.096 -2.360 1.00 0.00 N ATOM 1210 CA GLU A 80 33.448 9.564 -2.740 1.00 0.00 C ATOM 1211 C GLU A 80 34.193 9.079 -1.504 1.00 0.00 C ATOM 1212 O GLU A 80 34.367 9.828 -0.546 1.00 0.00 O ATOM 1213 CB GLU A 80 34.247 10.644 -3.464 1.00 0.00 C ATOM 1214 CG GLU A 80 34.806 11.633 -2.446 1.00 0.00 C ATOM 1215 CD GLU A 80 36.157 11.169 -1.923 1.00 0.00 C ATOM 1216 OE1 GLU A 80 36.836 10.435 -2.674 1.00 0.00 O ATOM 1217 OE2 GLU A 80 36.488 11.556 -0.782 1.00 0.00 O ATOM 0 H GLU A 80 32.120 11.113 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 80 33.313 8.716 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 80 35.060 10.191 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 80 33.610 11.164 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 80 34.908 12.616 -2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.108 11.740 -1.616 1.00 0.00 H new ATOM 1224 N LYS A 81 34.636 7.820 -1.531 1.00 0.00 N ATOM 1225 CA LYS A 81 35.360 7.242 -0.417 1.00 0.00 C ATOM 1226 C LYS A 81 36.783 6.905 -0.841 1.00 0.00 C ATOM 1227 O LYS A 81 37.053 6.718 -2.026 1.00 0.00 O ATOM 1228 CB LYS A 81 34.631 5.992 0.069 1.00 0.00 C ATOM 1229 CG LYS A 81 33.416 6.402 0.895 1.00 0.00 C ATOM 1230 CD LYS A 81 32.267 6.775 -0.038 1.00 0.00 C ATOM 1231 CE LYS A 81 30.942 6.630 0.703 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.513 7.916 1.274 1.00 0.00 N ATOM 0 H LYS A 81 34.501 7.186 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 81 35.408 7.961 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.318 5.386 -0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 81 35.302 5.377 0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 81 33.116 5.584 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 81 33.667 7.247 1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 81 32.389 7.799 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 81 32.276 6.132 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.178 6.259 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 81 31.045 5.891 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 30.140 7.763 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 31.325 8.564 1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.770 8.331 0.676 1.00 0.00 H new ATOM 1246 N LYS A 82 37.694 6.829 0.131 1.00 0.00 N ATOM 1247 CA LYS A 82 39.081 6.515 -0.146 1.00 0.00 C ATOM 1248 C LYS A 82 39.176 5.183 -0.877 1.00 0.00 C ATOM 1249 O LYS A 82 39.051 4.125 -0.265 1.00 0.00 O ATOM 1250 CB LYS A 82 39.863 6.469 1.164 1.00 0.00 C ATOM 1251 CG LYS A 82 39.085 5.652 2.191 1.00 0.00 C ATOM 1252 CD LYS A 82 39.980 4.549 2.748 1.00 0.00 C ATOM 1253 CE LYS A 82 39.119 3.496 3.442 1.00 0.00 C ATOM 1254 NZ LYS A 82 39.583 3.257 4.816 1.00 0.00 N ATOM 0 H LYS A 82 37.487 6.983 1.118 1.00 0.00 H new ATOM 0 HA LYS A 82 39.510 7.287 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.845 6.025 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 82 40.029 7.480 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.740 6.297 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 82 38.198 5.217 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 82 40.555 4.091 1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 82 40.698 4.969 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 82 38.080 3.824 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 82 39.151 2.565 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 38.981 2.538 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 40.567 2.922 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 39.529 4.142 5.360 1.00 0.00 H new ATOM 1268 N ASP A 83 39.397 5.240 -2.193 1.00 0.00 N ATOM 1269 CA ASP A 83 39.507 4.041 -3.001 1.00 0.00 C ATOM 1270 C ASP A 83 40.836 4.039 -3.742 1.00 0.00 C ATOM 1271 O ASP A 83 41.163 5.001 -4.434 1.00 0.00 O ATOM 1272 CB ASP A 83 38.340 3.983 -3.982 1.00 0.00 C ATOM 1273 CG ASP A 83 37.029 3.724 -3.253 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.882 2.598 -2.731 1.00 0.00 O ATOM 1275 OD2 ASP A 83 36.197 4.657 -3.232 1.00 0.00 O ATOM 0 H ASP A 83 39.502 6.110 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 83 39.470 3.160 -2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.275 4.922 -4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.515 3.195 -4.715 1.00 0.00 H new ATOM 1280 N ASP A 84 41.602 2.957 -3.595 1.00 0.00 N ATOM 1281 CA ASP A 84 42.890 2.837 -4.250 1.00 0.00 C ATOM 1282 C ASP A 84 42.723 2.135 -5.590 1.00 0.00 C ATOM 1283 O ASP A 84 42.127 1.062 -5.662 1.00 0.00 O ATOM 1284 CB ASP A 84 43.847 2.064 -3.349 1.00 0.00 C ATOM 1285 CG ASP A 84 44.424 2.965 -2.265 1.00 0.00 C ATOM 1286 OD1 ASP A 84 43.615 3.462 -1.452 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.661 3.139 -2.272 1.00 0.00 O ATOM 0 H ASP A 84 41.345 2.152 -3.024 1.00 0.00 H new ATOM 0 HA ASP A 84 43.305 3.828 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.323 1.226 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 84 44.656 1.644 -3.947 1.00 0.00 H new ATOM 1292 N GLY A 85 43.253 2.743 -6.654 1.00 0.00 N ATOM 1293 CA GLY A 85 43.157 2.170 -7.982 1.00 0.00 C ATOM 1294 C GLY A 85 42.000 2.799 -8.746 1.00 0.00 C ATOM 1295 O GLY A 85 41.870 2.609 -9.953 1.00 0.00 O ATOM 0 H GLY A 85 43.751 3.632 -6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.089 2.331 -8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.012 1.092 -7.911 1.00 0.00 H new ATOM 1299 N GLY A 86 41.156 3.552 -8.036 1.00 0.00 N ATOM 1300 CA GLY A 86 40.016 4.202 -8.650 1.00 0.00 C ATOM 1301 C GLY A 86 39.074 4.736 -7.579 1.00 0.00 C ATOM 1302 O GLY A 86 39.320 4.564 -6.388 1.00 0.00 O ATOM 0 H GLY A 86 41.249 3.721 -7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.354 5.019 -9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.487 3.496 -9.290 1.00 0.00 H new ATOM 1306 N LEU A 87 37.991 5.387 -8.011 1.00 0.00 N ATOM 1307 CA LEU A 87 37.017 5.944 -7.092 1.00 0.00 C ATOM 1308 C LEU A 87 35.828 5.003 -6.967 1.00 0.00 C ATOM 1309 O LEU A 87 35.401 4.403 -7.951 1.00 0.00 O ATOM 1310 CB LEU A 87 36.571 7.314 -7.593 1.00 0.00 C ATOM 1311 CG LEU A 87 37.600 8.364 -7.185 1.00 0.00 C ATOM 1312 CD1 LEU A 87 37.604 8.511 -5.666 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.985 7.931 -7.658 1.00 0.00 C ATOM 0 H LEU A 87 37.773 5.537 -8.996 1.00 0.00 H new ATOM 0 HA LEU A 87 37.468 6.061 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.462 7.299 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.595 7.565 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 87 37.343 9.320 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 87 38.339 9.261 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 87 36.615 8.822 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 87 37.860 7.555 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 87 39.720 8.681 -7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 87 39.242 6.975 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.983 7.827 -8.743 1.00 0.00 H new ATOM 1325 N MET A 88 35.292 4.874 -5.751 1.00 0.00 N ATOM 1326 CA MET A 88 34.158 4.006 -5.505 1.00 0.00 C ATOM 1327 C MET A 88 33.136 4.724 -4.634 1.00 0.00 C ATOM 1328 O MET A 88 33.425 5.078 -3.493 1.00 0.00 O ATOM 1329 CB MET A 88 34.637 2.724 -4.831 1.00 0.00 C ATOM 1330 CG MET A 88 35.848 2.177 -5.580 1.00 0.00 C ATOM 1331 SD MET A 88 36.110 0.400 -5.355 1.00 0.00 S ATOM 1332 CE MET A 88 35.450 0.219 -3.680 1.00 0.00 C ATOM 0 H MET A 88 35.633 5.365 -4.924 1.00 0.00 H new ATOM 0 HA MET A 88 33.681 3.748 -6.451 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.898 2.923 -3.792 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.837 1.984 -4.823 1.00 0.00 H new ATOM 0 HG2 MET A 88 35.729 2.385 -6.643 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.739 2.710 -5.249 1.00 0.00 H new ATOM 0 HE1 MET A 88 35.863 -0.679 -3.221 1.00 0.00 H new ATOM 0 HE2 MET A 88 35.725 1.090 -3.085 1.00 0.00 H new ATOM 0 HE3 MET A 88 34.364 0.138 -3.724 1.00 0.00 H new ATOM 1342 N PHE A 89 31.936 4.937 -5.177 1.00 0.00 N ATOM 1343 CA PHE A 89 30.878 5.608 -4.448 1.00 0.00 C ATOM 1344 C PHE A 89 29.832 4.595 -4.004 1.00 0.00 C ATOM 1345 O PHE A 89 29.594 3.603 -4.688 1.00 0.00 O ATOM 1346 CB PHE A 89 30.250 6.679 -5.337 1.00 0.00 C ATOM 1347 CG PHE A 89 31.153 7.865 -5.582 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.209 7.764 -6.496 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.935 9.064 -4.893 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.046 8.862 -6.721 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.774 10.162 -5.118 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.829 10.061 -6.032 1.00 0.00 C ATOM 0 H PHE A 89 31.680 4.651 -6.122 1.00 0.00 H new ATOM 0 HA PHE A 89 31.291 6.086 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.981 6.233 -6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.325 7.026 -4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.377 6.839 -7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 89 30.120 9.142 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 89 33.860 8.785 -7.427 1.00 0.00 H new ATOM 0 HE2 PHE A 89 31.607 11.087 -4.586 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.476 10.908 -6.206 1.00 0.00 H new ATOM 1362 N MET A 90 29.207 4.848 -2.852 1.00 0.00 N ATOM 1363 CA MET A 90 28.194 3.957 -2.322 1.00 0.00 C ATOM 1364 C MET A 90 26.958 4.754 -1.930 1.00 0.00 C ATOM 1365 O MET A 90 27.067 5.828 -1.342 1.00 0.00 O ATOM 1366 CB MET A 90 28.757 3.207 -1.118 1.00 0.00 C ATOM 1367 CG MET A 90 29.296 4.209 -0.101 1.00 0.00 C ATOM 1368 SD MET A 90 29.222 3.631 1.612 1.00 0.00 S ATOM 1369 CE MET A 90 29.326 1.847 1.320 1.00 0.00 C ATOM 0 H MET A 90 29.391 5.667 -2.273 1.00 0.00 H new ATOM 0 HA MET A 90 27.908 3.233 -3.084 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.980 2.593 -0.663 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.552 2.532 -1.436 1.00 0.00 H new ATOM 0 HG2 MET A 90 30.331 4.443 -0.350 1.00 0.00 H new ATOM 0 HG3 MET A 90 28.730 5.137 -0.185 1.00 0.00 H new ATOM 0 HE1 MET A 90 29.544 1.337 2.258 1.00 0.00 H new ATOM 0 HE2 MET A 90 28.377 1.487 0.924 1.00 0.00 H new ATOM 0 HE3 MET A 90 30.120 1.641 0.602 1.00 0.00 H new ATOM 1379 N CYS A 91 25.777 4.224 -2.258 1.00 0.00 N ATOM 1380 CA CYS A 91 24.527 4.883 -1.941 1.00 0.00 C ATOM 1381 C CYS A 91 23.487 3.848 -1.538 1.00 0.00 C ATOM 1382 O CYS A 91 23.560 2.694 -1.957 1.00 0.00 O ATOM 1383 CB CYS A 91 24.054 5.683 -3.151 1.00 0.00 C ATOM 1384 SG CYS A 91 22.420 5.196 -3.762 1.00 0.00 S ATOM 0 H CYS A 91 25.670 3.335 -2.746 1.00 0.00 H new ATOM 0 HA CYS A 91 24.673 5.567 -1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 91 24.032 6.741 -2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.780 5.569 -3.956 1.00 0.00 H new ATOM 1389 N SER A 92 22.515 4.262 -0.721 1.00 0.00 N ATOM 1390 CA SER A 92 21.467 3.370 -0.269 1.00 0.00 C ATOM 1391 C SER A 92 20.137 4.110 -0.235 1.00 0.00 C ATOM 1392 O SER A 92 20.102 5.334 -0.333 1.00 0.00 O ATOM 1393 CB SER A 92 21.821 2.831 1.115 1.00 0.00 C ATOM 1394 OG SER A 92 22.044 3.910 1.996 1.00 0.00 O ATOM 0 H SER A 92 22.440 5.214 -0.363 1.00 0.00 H new ATOM 0 HA SER A 92 21.376 2.532 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.013 2.202 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.711 2.205 1.057 1.00 0.00 H new ATOM 0 HG SER A 92 22.467 3.580 2.816 1.00 0.00 H new ATOM 1400 N CYS A 93 19.041 3.361 -0.096 1.00 0.00 N ATOM 1401 CA CYS A 93 17.715 3.946 -0.050 1.00 0.00 C ATOM 1402 C CYS A 93 16.674 2.848 0.117 1.00 0.00 C ATOM 1403 O CYS A 93 16.744 1.817 -0.545 1.00 0.00 O ATOM 1404 CB CYS A 93 17.465 4.738 -1.330 1.00 0.00 C ATOM 1405 SG CYS A 93 17.732 3.789 -2.847 1.00 0.00 S ATOM 0 H CYS A 93 19.054 2.344 -0.014 1.00 0.00 H new ATOM 0 HA CYS A 93 17.640 4.623 0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.440 5.109 -1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.119 5.610 -1.339 1.00 0.00 H new ATOM 1410 N THR A 94 15.705 3.074 1.008 1.00 0.00 N ATOM 1411 CA THR A 94 14.658 2.103 1.254 1.00 0.00 C ATOM 1412 C THR A 94 13.660 2.114 0.105 1.00 0.00 C ATOM 1413 O THR A 94 12.807 1.235 0.008 1.00 0.00 O ATOM 1414 CB THR A 94 13.965 2.429 2.574 1.00 0.00 C ATOM 1415 OG1 THR A 94 13.161 3.577 2.413 1.00 0.00 O ATOM 1416 CG2 THR A 94 15.016 2.692 3.650 1.00 0.00 C ATOM 0 H THR A 94 15.632 3.924 1.567 1.00 0.00 H new ATOM 0 HA THR A 94 15.092 1.105 1.321 1.00 0.00 H new ATOM 0 HB THR A 94 13.341 1.587 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.715 3.785 3.260 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.521 2.925 4.593 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.638 1.806 3.776 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.641 3.534 3.351 1.00 0.00 H new ATOM 1424 N GLY A 95 13.770 3.116 -0.770 1.00 0.00 N ATOM 1425 CA GLY A 95 12.878 3.234 -1.906 1.00 0.00 C ATOM 1426 C GLY A 95 12.979 1.998 -2.788 1.00 0.00 C ATOM 1427 O GLY A 95 13.632 1.022 -2.423 1.00 0.00 O ATOM 0 H GLY A 95 14.471 3.854 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.852 3.359 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.130 4.123 -2.484 1.00 0.00 H new ATOM 1431 N GLU A 96 12.328 2.040 -3.953 1.00 0.00 N ATOM 1432 CA GLU A 96 12.349 0.925 -4.878 1.00 0.00 C ATOM 1433 C GLU A 96 13.402 1.160 -5.951 1.00 0.00 C ATOM 1434 O GLU A 96 13.325 2.131 -6.700 1.00 0.00 O ATOM 1435 CB GLU A 96 10.966 0.761 -5.504 1.00 0.00 C ATOM 1436 CG GLU A 96 10.574 -0.714 -5.489 1.00 0.00 C ATOM 1437 CD GLU A 96 9.060 -0.873 -5.503 1.00 0.00 C ATOM 1438 OE1 GLU A 96 8.488 -0.771 -6.610 1.00 0.00 O ATOM 1439 OE2 GLU A 96 8.503 -1.094 -4.406 1.00 0.00 O ATOM 0 H GLU A 96 11.781 2.840 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 96 12.605 0.010 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.233 1.349 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.971 1.137 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.005 -1.218 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.986 -1.195 -4.602 1.00 0.00 H new ATOM 1446 N GLU A 97 14.389 0.264 -6.023 1.00 0.00 N ATOM 1447 CA GLU A 97 15.451 0.377 -7.004 1.00 0.00 C ATOM 1448 C GLU A 97 16.054 1.774 -6.957 1.00 0.00 C ATOM 1449 O GLU A 97 16.894 2.120 -7.786 1.00 0.00 O ATOM 1450 CB GLU A 97 14.893 0.075 -8.392 1.00 0.00 C ATOM 1451 CG GLU A 97 14.011 -1.168 -8.326 1.00 0.00 C ATOM 1452 CD GLU A 97 13.041 -1.209 -9.498 1.00 0.00 C ATOM 1453 OE1 GLU A 97 12.110 -0.375 -9.493 1.00 0.00 O ATOM 1454 OE2 GLU A 97 13.249 -2.073 -10.376 1.00 0.00 O ATOM 0 H GLU A 97 14.468 -0.547 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 97 16.238 -0.343 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.316 0.925 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.709 -0.082 -9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.635 -2.062 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.455 -1.175 -7.388 1.00 0.00 H new ATOM 1461 N CYS A 98 15.622 2.578 -5.983 1.00 0.00 N ATOM 1462 CA CYS A 98 16.119 3.931 -5.830 1.00 0.00 C ATOM 1463 C CYS A 98 17.640 3.917 -5.779 1.00 0.00 C ATOM 1464 O CYS A 98 18.285 4.906 -6.125 1.00 0.00 O ATOM 1465 CB CYS A 98 15.541 4.544 -4.559 1.00 0.00 C ATOM 1466 SG CYS A 98 15.635 3.463 -3.111 1.00 0.00 S ATOM 0 H CYS A 98 14.925 2.306 -5.289 1.00 0.00 H new ATOM 0 HA CYS A 98 15.809 4.536 -6.682 1.00 0.00 H new ATOM 0 HB2 CYS A 98 16.071 5.472 -4.342 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.498 4.807 -4.736 1.00 0.00 H new ATOM 1471 N ASN A 99 18.215 2.792 -5.345 1.00 0.00 N ATOM 1472 CA ASN A 99 19.655 2.659 -5.251 1.00 0.00 C ATOM 1473 C ASN A 99 20.262 2.605 -6.646 1.00 0.00 C ATOM 1474 O ASN A 99 21.312 3.194 -6.893 1.00 0.00 O ATOM 1475 CB ASN A 99 19.996 1.396 -4.464 1.00 0.00 C ATOM 1476 CG ASN A 99 19.507 0.153 -5.193 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.558 0.220 -5.971 1.00 0.00 O ATOM 1478 ND2 ASN A 99 20.158 -0.985 -4.941 1.00 0.00 N ATOM 0 H ASN A 99 17.696 1.963 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 99 20.071 3.521 -4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 99 21.074 1.335 -4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.541 1.445 -3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.873 -1.849 -5.403 1.00 0.00 H new ATOM 0 HD22 ASN A 99 20.941 -0.991 -4.287 1.00 0.00 H new ATOM 1485 N ASP A 100 19.598 1.894 -7.560 1.00 0.00 N ATOM 1486 CA ASP A 100 20.073 1.766 -8.922 1.00 0.00 C ATOM 1487 C ASP A 100 20.442 3.137 -9.471 1.00 0.00 C ATOM 1488 O ASP A 100 21.388 3.264 -10.244 1.00 0.00 O ATOM 1489 CB ASP A 100 18.990 1.114 -9.778 1.00 0.00 C ATOM 1490 CG ASP A 100 18.279 2.151 -10.636 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.922 2.635 -11.592 1.00 0.00 O ATOM 1492 OD2 ASP A 100 17.104 2.439 -10.319 1.00 0.00 O ATOM 0 H ASP A 100 18.726 1.399 -7.371 1.00 0.00 H new ATOM 0 HA ASP A 100 20.963 1.137 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.436 0.351 -10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.268 0.610 -9.136 1.00 0.00 H new ATOM 1497 N VAL A 101 19.691 4.164 -9.067 1.00 0.00 N ATOM 1498 CA VAL A 101 19.942 5.519 -9.519 1.00 0.00 C ATOM 1499 C VAL A 101 20.920 6.203 -8.575 1.00 0.00 C ATOM 1500 O VAL A 101 20.564 6.545 -7.450 1.00 0.00 O ATOM 1501 CB VAL A 101 18.624 6.286 -9.582 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.636 7.220 -10.789 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.468 5.299 -9.714 1.00 0.00 C ATOM 0 H VAL A 101 18.903 4.074 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 101 20.383 5.499 -10.516 1.00 0.00 H new ATOM 0 HB VAL A 101 18.500 6.872 -8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.695 7.768 -10.834 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.462 7.925 -10.695 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.760 6.635 -11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.526 5.846 -9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.592 4.714 -10.625 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.459 4.632 -8.852 1.00 0.00 H new ATOM 1513 N LEU A 102 22.157 6.403 -9.036 1.00 0.00 N ATOM 1514 CA LEU A 102 23.179 7.044 -8.233 1.00 0.00 C ATOM 1515 C LEU A 102 23.307 8.507 -8.633 1.00 0.00 C ATOM 1516 O LEU A 102 23.857 8.820 -9.687 1.00 0.00 O ATOM 1517 CB LEU A 102 24.506 6.315 -8.421 1.00 0.00 C ATOM 1518 CG LEU A 102 24.473 5.529 -9.729 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.898 5.318 -10.231 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.811 4.175 -9.493 1.00 0.00 C ATOM 0 H LEU A 102 22.468 6.126 -9.967 1.00 0.00 H new ATOM 0 HA LEU A 102 22.901 6.998 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.328 7.031 -8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.685 5.641 -7.583 1.00 0.00 H new ATOM 0 HG LEU A 102 23.904 6.086 -10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.875 4.757 -11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.371 6.285 -10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.467 4.761 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.787 3.614 -10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.379 3.617 -8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.793 4.325 -9.134 1.00 0.00 H new ATOM 1532 N ILE A 103 22.797 9.406 -7.787 1.00 0.00 N ATOM 1533 CA ILE A 103 22.857 10.828 -8.052 1.00 0.00 C ATOM 1534 C ILE A 103 24.173 11.394 -7.537 1.00 0.00 C ATOM 1535 O ILE A 103 24.442 11.350 -6.338 1.00 0.00 O ATOM 1536 CB ILE A 103 21.671 11.520 -7.384 1.00 0.00 C ATOM 1537 CG1 ILE A 103 20.580 11.774 -8.420 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.127 12.849 -6.789 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.212 11.702 -7.746 1.00 0.00 C ATOM 0 H ILE A 103 22.337 9.162 -6.910 1.00 0.00 H new ATOM 0 HA ILE A 103 22.805 11.004 -9.126 1.00 0.00 H new ATOM 0 HB ILE A 103 21.278 10.883 -6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.720 12.753 -8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 103 20.643 11.035 -9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 103 21.281 13.344 -6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 103 22.906 12.668 -6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 103 22.520 13.486 -7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.432 11.883 -8.486 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.074 10.714 -7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.152 12.458 -6.963 1.00 0.00 H new ATOM 1551 N PHE A 104 24.993 11.926 -8.445 1.00 0.00 N ATOM 1552 CA PHE A 104 26.274 12.495 -8.077 1.00 0.00 C ATOM 1553 C PHE A 104 26.169 14.013 -8.027 1.00 0.00 C ATOM 1554 O PHE A 104 25.935 14.656 -9.048 1.00 0.00 O ATOM 1555 CB PHE A 104 27.332 12.059 -9.085 1.00 0.00 C ATOM 1556 CG PHE A 104 27.423 10.560 -9.253 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.376 9.859 -9.863 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.556 9.873 -8.800 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.462 8.471 -10.020 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.641 8.484 -8.957 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.594 7.784 -9.567 1.00 0.00 C ATOM 0 H PHE A 104 24.784 11.971 -9.442 1.00 0.00 H new ATOM 0 HA PHE A 104 26.564 12.138 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.110 12.512 -10.051 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.303 12.441 -8.769 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.502 10.389 -10.212 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.364 10.414 -8.330 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.655 7.930 -10.491 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.514 7.953 -8.607 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.660 6.713 -9.688 1.00 0.00 H new ATOM 1571 N SER A 105 26.343 14.586 -6.833 1.00 0.00 N ATOM 1572 CA SER A 105 26.268 16.022 -6.658 1.00 0.00 C ATOM 1573 C SER A 105 27.423 16.497 -5.786 1.00 0.00 C ATOM 1574 O SER A 105 27.600 16.015 -4.669 1.00 0.00 O ATOM 1575 CB SER A 105 24.928 16.388 -6.027 1.00 0.00 C ATOM 1576 OG SER A 105 25.007 16.226 -4.628 1.00 0.00 O ATOM 0 H SER A 105 26.537 14.068 -5.976 1.00 0.00 H new ATOM 0 HA SER A 105 26.344 16.514 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 105 24.669 17.418 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 105 24.138 15.756 -6.433 1.00 0.00 H new ATOM 0 HG SER A 105 25.833 15.751 -4.400 1.00 0.00 H new ATOM 1582 N ALA A 106 28.209 17.445 -6.300 1.00 0.00 N ATOM 1583 CA ALA A 106 29.340 17.981 -5.569 1.00 0.00 C ATOM 1584 C ALA A 106 29.060 19.422 -5.169 1.00 0.00 C ATOM 1585 O ALA A 106 29.986 20.210 -4.992 1.00 0.00 O ATOM 1586 CB ALA A 106 30.592 17.893 -6.436 1.00 0.00 C ATOM 0 H ALA A 106 28.075 17.854 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 106 29.501 17.399 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 106 31.443 18.296 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 106 30.785 16.851 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 106 30.443 18.469 -7.349 1.00 0.00 H new ATOM 1592 N ILE A 107 27.777 19.765 -5.026 1.00 0.00 N ATOM 1593 CA ILE A 107 27.380 21.106 -4.647 1.00 0.00 C ATOM 1594 C ILE A 107 27.536 21.283 -3.143 1.00 0.00 C ATOM 1595 O ILE A 107 27.878 20.337 -2.437 1.00 0.00 O ATOM 1596 CB ILE A 107 25.936 21.348 -5.075 1.00 0.00 C ATOM 1597 CG1 ILE A 107 25.038 20.275 -4.467 1.00 0.00 C ATOM 1598 CG2 ILE A 107 25.841 21.291 -6.597 1.00 0.00 C ATOM 1599 CD1 ILE A 107 23.861 20.938 -3.758 1.00 0.00 C ATOM 1600 OXT ILE A 107 27.302 22.420 -2.678 1.00 0.00 O ATOM 0 H ILE A 107 26.998 19.122 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 107 28.019 21.835 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 107 25.613 22.329 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 107 24.676 19.604 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 107 25.605 19.667 -3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 107 24.809 21.464 -6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 107 26.482 22.059 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 107 26.164 20.310 -6.945 1.00 0.00 H new ATOM 0 HD11 ILE A 107 23.219 20.171 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 107 24.233 21.590 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 107 23.289 21.526 -4.475 1.00 0.00 H new TER 1612 ILE A 107