USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1084 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 22 THR OG1 : rot 174:sc= 0.786 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= 0.519 F(o=-0.18,f=1.3) USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= 1.3 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.65 USER MOD Single : A 1 MET CE :methyl -176:sc= -1.55 (180deg=-1.62) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.739 (180deg=-0.259) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.019) USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= 0.477 (180deg=0.135) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0.287 (180deg=0.179) USER MOD Single : A 12 THR OG1 : rot 35:sc= 0.215 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= -1.84 (180deg=-2.86) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.522 F(o=-1.9,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= -4.57 K(o=-4.6,f=-5.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.04 K(o=-1,f=-6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 48:sc= -0.213 USER MOD Single : A 59 TYR OH : rot 118:sc= 0.237 USER MOD Single : A 60 ASN : amide:sc= -0.523 K(o=-0.52,f=-3.7!) USER MOD Single : A 62 GLN : amide:sc= -1.92 K(o=-1.9,f=-2.9) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 121:sc=-0.00285 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-2.2!) USER MOD Single : B 6 LYS NZ :NH3+ -160:sc= -0.123 (180deg=-0.457) USER MOD Single : B 8 TYR OH : rot 180:sc= -0.092 USER MOD Single : B 9 CYS SG : rot -20:sc= -3.57! USER MOD Single : B 11 THR OG1 : rot 158:sc= 1.66 USER MOD Single : B 15 TYR OH : rot 15:sc= -0.216 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot -140:sc= 0 USER MOD Single : B 19 ASN : amide:sc= -0.0949 K(o=-0.095,f=-2.4!) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.531 USER MOD Single : B 32 HIS : no HE2:sc= 0.204 K(o=0.2,f=-1.2) USER MOD Single : B 35 SER OG : rot 180:sc= -0.0722 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot -15:sc= -0.142 USER MOD Single : B 45 LYS NZ :NH3+ 144:sc= -0.99 (180deg=-1.59) USER MOD Single : B 49 ASN :FLIP amide:sc= -0.26 F(o=-1.7!,f=-0.26) USER MOD Single : B 51 LYS NZ :NH3+ -149:sc= 0.998 (180deg=0.246) USER MOD Single : B 58 ASN :FLIP amide:sc= -0.0251 F(o=-1.2!,f=-0.025) USER MOD Single : B 62 GLN : amide:sc=-0.00951 X(o=-0.0095,f=0) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.701 -20.441 -5.977 1.00 15.13 N ATOM 2 CA MET A 1 -14.030 -19.663 -4.903 1.00 14.88 C ATOM 3 C MET A 1 -13.622 -18.282 -5.405 1.00 13.56 C ATOM 4 O MET A 1 -12.914 -18.157 -6.407 1.00 12.96 O ATOM 5 CB MET A 1 -12.805 -20.424 -4.392 1.00 15.67 C ATOM 6 CG MET A 1 -13.153 -21.737 -3.706 1.00 15.34 C ATOM 7 SD MET A 1 -11.701 -22.729 -3.304 1.00 16.50 S ATOM 8 CE MET A 1 -10.864 -21.667 -2.131 1.00 15.91 C ATOM 0 H1 MET A 1 -15.639 -20.747 -5.649 1.00 15.13 H new ATOM 0 H2 MET A 1 -14.807 -19.845 -6.823 1.00 15.13 H new ATOM 0 H3 MET A 1 -14.127 -21.276 -6.211 1.00 15.13 H new ATOM 0 HA MET A 1 -14.735 -19.531 -4.082 1.00 14.88 H new ATOM 0 HB2 MET A 1 -12.136 -20.626 -5.229 1.00 15.67 H new ATOM 0 HB3 MET A 1 -12.259 -19.791 -3.693 1.00 15.67 H new ATOM 0 HG2 MET A 1 -13.707 -21.527 -2.791 1.00 15.34 H new ATOM 0 HG3 MET A 1 -13.813 -22.315 -4.353 1.00 15.34 H new ATOM 0 HE1 MET A 1 -9.912 -22.117 -1.848 1.00 15.91 H new ATOM 0 HE2 MET A 1 -10.684 -20.693 -2.586 1.00 15.91 H new ATOM 0 HE3 MET A 1 -11.485 -21.544 -1.244 1.00 15.91 H new ATOM 20 N GLN A 2 -14.074 -17.248 -4.699 1.00 13.22 N ATOM 21 CA GLN A 2 -13.769 -15.869 -5.068 1.00 12.04 C ATOM 22 C GLN A 2 -12.373 -15.474 -4.604 1.00 11.88 C ATOM 23 O GLN A 2 -11.859 -16.006 -3.618 1.00 12.64 O ATOM 24 CB GLN A 2 -14.803 -14.914 -4.460 1.00 11.89 C ATOM 25 CG GLN A 2 -14.833 -14.930 -2.938 1.00 10.95 C ATOM 26 CD GLN A 2 -15.621 -13.773 -2.356 1.00 11.15 C ATOM 27 OE1 GLN A 2 -15.067 -12.711 -2.070 1.00 10.74 O ATOM 28 NE2 GLN A 2 -16.922 -13.970 -2.177 1.00 11.94 N ATOM 0 H GLN A 2 -14.655 -17.340 -3.866 1.00 13.22 H new ATOM 0 HA GLN A 2 -13.807 -15.798 -6.155 1.00 12.04 H new ATOM 0 HB2 GLN A 2 -14.591 -13.900 -4.799 1.00 11.89 H new ATOM 0 HB3 GLN A 2 -15.792 -15.176 -4.837 1.00 11.89 H new ATOM 0 HG2 GLN A 2 -15.269 -15.869 -2.597 1.00 10.95 H new ATOM 0 HG3 GLN A 2 -13.812 -14.896 -2.558 1.00 10.95 H new ATOM 0 HE21 GLN A 2 -17.341 -14.865 -2.427 1.00 11.94 H new ATOM 0 HE22 GLN A 2 -17.502 -13.226 -1.789 1.00 11.94 H new ATOM 37 N ILE A 3 -11.764 -14.542 -5.326 1.00 10.95 N ATOM 38 CA ILE A 3 -10.433 -14.052 -4.993 1.00 10.68 C ATOM 39 C ILE A 3 -10.313 -12.572 -5.319 1.00 9.47 C ATOM 40 O ILE A 3 -10.896 -12.089 -6.290 1.00 8.82 O ATOM 41 CB ILE A 3 -9.319 -14.826 -5.736 1.00 10.84 C ATOM 42 CG1 ILE A 3 -9.547 -14.784 -7.251 1.00 10.19 C ATOM 43 CG2 ILE A 3 -9.246 -16.265 -5.243 1.00 12.19 C ATOM 44 CD1 ILE A 3 -8.332 -15.193 -8.059 1.00 10.30 C ATOM 0 H ILE A 3 -12.175 -14.108 -6.152 1.00 10.95 H new ATOM 0 HA ILE A 3 -10.300 -14.211 -3.923 1.00 10.68 H new ATOM 0 HB ILE A 3 -8.366 -14.342 -5.522 1.00 10.84 H new ATOM 0 HG12 ILE A 3 -10.379 -15.442 -7.503 1.00 10.19 H new ATOM 0 HG13 ILE A 3 -9.841 -13.774 -7.538 1.00 10.19 H new ATOM 0 HG21 ILE A 3 -8.456 -16.793 -5.778 1.00 12.19 H new ATOM 0 HG22 ILE A 3 -9.029 -16.273 -4.175 1.00 12.19 H new ATOM 0 HG23 ILE A 3 -10.200 -16.760 -5.423 1.00 12.19 H new ATOM 0 HD11 ILE A 3 -8.567 -15.139 -9.122 1.00 10.30 H new ATOM 0 HD12 ILE A 3 -7.504 -14.521 -7.836 1.00 10.30 H new ATOM 0 HD13 ILE A 3 -8.050 -16.214 -7.801 1.00 10.30 H new ATOM 56 N PHE A 4 -9.555 -11.858 -4.500 1.00 9.25 N ATOM 57 CA PHE A 4 -9.346 -10.430 -4.692 1.00 8.23 C ATOM 58 C PHE A 4 -7.993 -10.182 -5.344 1.00 7.51 C ATOM 59 O PHE A 4 -6.994 -10.788 -4.961 1.00 7.97 O ATOM 60 CB PHE A 4 -9.421 -9.694 -3.351 1.00 8.76 C ATOM 61 CG PHE A 4 -10.746 -9.838 -2.655 1.00 9.63 C ATOM 62 CD1 PHE A 4 -10.973 -10.887 -1.776 1.00 10.81 C ATOM 63 CD2 PHE A 4 -11.765 -8.924 -2.876 1.00 9.35 C ATOM 64 CE1 PHE A 4 -12.189 -11.021 -1.134 1.00 11.64 C ATOM 65 CE2 PHE A 4 -12.983 -9.053 -2.236 1.00 10.22 C ATOM 66 CZ PHE A 4 -13.196 -10.104 -1.364 1.00 11.33 C ATOM 0 H PHE A 4 -9.071 -12.247 -3.691 1.00 9.25 H new ATOM 0 HA PHE A 4 -10.131 -10.050 -5.345 1.00 8.23 H new ATOM 0 HB2 PHE A 4 -8.634 -10.069 -2.696 1.00 8.76 H new ATOM 0 HB3 PHE A 4 -9.221 -8.635 -3.516 1.00 8.76 H new ATOM 0 HD1 PHE A 4 -10.190 -11.607 -1.591 1.00 10.81 H new ATOM 0 HD2 PHE A 4 -11.605 -8.101 -3.557 1.00 9.35 H new ATOM 0 HE1 PHE A 4 -12.352 -11.843 -0.452 1.00 11.64 H new ATOM 0 HE2 PHE A 4 -13.768 -8.333 -2.417 1.00 10.22 H new ATOM 0 HZ PHE A 4 -14.147 -10.208 -0.864 1.00 11.33 H new ATOM 76 N VAL A 5 -7.972 -9.302 -6.338 1.00 6.47 N ATOM 77 CA VAL A 5 -6.741 -8.961 -7.038 1.00 5.80 C ATOM 78 C VAL A 5 -6.471 -7.470 -6.895 1.00 4.97 C ATOM 79 O VAL A 5 -7.008 -6.654 -7.647 1.00 4.55 O ATOM 80 CB VAL A 5 -6.804 -9.338 -8.534 1.00 5.60 C ATOM 81 CG1 VAL A 5 -5.499 -8.988 -9.238 1.00 5.38 C ATOM 82 CG2 VAL A 5 -7.125 -10.819 -8.697 1.00 6.66 C ATOM 0 H VAL A 5 -8.798 -8.810 -6.678 1.00 6.47 H new ATOM 0 HA VAL A 5 -5.931 -9.534 -6.587 1.00 5.80 H new ATOM 0 HB VAL A 5 -7.602 -8.759 -8.999 1.00 5.60 H new ATOM 0 HG11 VAL A 5 -5.568 -9.263 -10.290 1.00 5.38 H new ATOM 0 HG12 VAL A 5 -5.316 -7.917 -9.154 1.00 5.38 H new ATOM 0 HG13 VAL A 5 -4.677 -9.534 -8.774 1.00 5.38 H new ATOM 0 HG21 VAL A 5 -7.166 -11.068 -9.757 1.00 6.66 H new ATOM 0 HG22 VAL A 5 -6.350 -11.415 -8.214 1.00 6.66 H new ATOM 0 HG23 VAL A 5 -8.089 -11.035 -8.236 1.00 6.66 H new ATOM 92 N LYS A 6 -5.639 -7.124 -5.920 1.00 4.99 N ATOM 93 CA LYS A 6 -5.305 -5.735 -5.643 1.00 4.54 C ATOM 94 C LYS A 6 -4.317 -5.188 -6.666 1.00 3.66 C ATOM 95 O LYS A 6 -3.677 -5.945 -7.395 1.00 3.73 O ATOM 96 CB LYS A 6 -4.717 -5.620 -4.230 1.00 5.41 C ATOM 97 CG LYS A 6 -4.236 -4.224 -3.864 1.00 5.62 C ATOM 98 CD LYS A 6 -3.697 -4.177 -2.441 1.00 6.25 C ATOM 99 CE LYS A 6 -3.101 -2.818 -2.111 1.00 6.57 C ATOM 100 NZ LYS A 6 -2.496 -2.795 -0.751 1.00 6.86 N ATOM 0 H LYS A 6 -5.180 -7.795 -5.303 1.00 4.99 H new ATOM 0 HA LYS A 6 -6.218 -5.143 -5.710 1.00 4.54 H new ATOM 0 HB2 LYS A 6 -5.472 -5.932 -3.508 1.00 5.41 H new ATOM 0 HB3 LYS A 6 -3.882 -6.315 -4.139 1.00 5.41 H new ATOM 0 HG2 LYS A 6 -3.457 -3.912 -4.560 1.00 5.62 H new ATOM 0 HG3 LYS A 6 -5.058 -3.516 -3.967 1.00 5.62 H new ATOM 0 HD2 LYS A 6 -4.501 -4.402 -1.740 1.00 6.25 H new ATOM 0 HD3 LYS A 6 -2.937 -4.948 -2.314 1.00 6.25 H new ATOM 0 HE2 LYS A 6 -2.342 -2.565 -2.851 1.00 6.57 H new ATOM 0 HE3 LYS A 6 -3.877 -2.055 -2.177 1.00 6.57 H new ATOM 0 HZ1 LYS A 6 -2.609 -1.848 -0.337 1.00 6.86 H new ATOM 0 HZ2 LYS A 6 -2.972 -3.496 -0.148 1.00 6.86 H new ATOM 0 HZ3 LYS A 6 -1.484 -3.025 -0.817 1.00 6.86 H new ATOM 114 N THR A 7 -4.204 -3.867 -6.704 1.00 3.27 N ATOM 115 CA THR A 7 -3.294 -3.192 -7.619 1.00 2.97 C ATOM 116 C THR A 7 -2.693 -1.961 -6.953 1.00 3.21 C ATOM 117 O THR A 7 -3.245 -1.432 -5.987 1.00 3.79 O ATOM 118 CB THR A 7 -4.004 -2.766 -8.920 1.00 3.37 C ATOM 119 OG1 THR A 7 -5.101 -1.898 -8.617 1.00 3.78 O ATOM 120 CG2 THR A 7 -4.509 -3.979 -9.689 1.00 3.68 C ATOM 0 H THR A 7 -4.737 -3.237 -6.105 1.00 3.27 H new ATOM 0 HA THR A 7 -2.506 -3.901 -7.872 1.00 2.97 H new ATOM 0 HB THR A 7 -3.282 -2.238 -9.543 1.00 3.37 H new ATOM 0 HG1 THR A 7 -4.972 -1.038 -9.068 1.00 3.78 H new ATOM 0 HG21 THR A 7 -5.006 -3.650 -10.602 1.00 3.68 H new ATOM 0 HG22 THR A 7 -3.668 -4.623 -9.945 1.00 3.68 H new ATOM 0 HG23 THR A 7 -5.216 -4.533 -9.071 1.00 3.68 H new ATOM 128 N LEU A 8 -1.559 -1.512 -7.475 1.00 3.26 N ATOM 129 CA LEU A 8 -0.874 -0.341 -6.939 1.00 3.74 C ATOM 130 C LEU A 8 -1.745 0.909 -7.052 1.00 4.78 C ATOM 131 O LEU A 8 -1.577 1.865 -6.295 1.00 5.48 O ATOM 132 CB LEU A 8 0.446 -0.136 -7.686 1.00 3.85 C ATOM 133 CG LEU A 8 0.312 0.078 -9.199 1.00 3.89 C ATOM 134 CD1 LEU A 8 0.199 1.559 -9.531 1.00 4.36 C ATOM 135 CD2 LEU A 8 1.488 -0.550 -9.933 1.00 4.09 C ATOM 0 H LEU A 8 -1.092 -1.943 -8.273 1.00 3.26 H new ATOM 0 HA LEU A 8 -0.672 -0.511 -5.881 1.00 3.74 H new ATOM 0 HB2 LEU A 8 0.958 0.725 -7.257 1.00 3.85 H new ATOM 0 HB3 LEU A 8 1.082 -1.004 -7.513 1.00 3.85 H new ATOM 0 HG LEU A 8 -0.603 -0.412 -9.532 1.00 3.89 H new ATOM 0 HD11 LEU A 8 0.105 1.684 -10.610 1.00 4.36 H new ATOM 0 HD12 LEU A 8 -0.680 1.976 -9.040 1.00 4.36 H new ATOM 0 HD13 LEU A 8 1.091 2.079 -9.182 1.00 4.36 H new ATOM 0 HD21 LEU A 8 1.376 -0.388 -11.005 1.00 4.09 H new ATOM 0 HD22 LEU A 8 2.416 -0.092 -9.592 1.00 4.09 H new ATOM 0 HD23 LEU A 8 1.515 -1.620 -9.728 1.00 4.09 H new ATOM 147 N THR A 9 -2.676 0.891 -8.005 1.00 5.08 N ATOM 148 CA THR A 9 -3.577 2.017 -8.226 1.00 6.24 C ATOM 149 C THR A 9 -4.706 2.031 -7.198 1.00 6.58 C ATOM 150 O THR A 9 -5.345 3.061 -6.979 1.00 7.61 O ATOM 151 CB THR A 9 -4.190 1.976 -9.639 1.00 6.63 C ATOM 152 OG1 THR A 9 -4.862 0.727 -9.845 1.00 5.90 O ATOM 153 CG2 THR A 9 -3.118 2.162 -10.703 1.00 7.65 C ATOM 0 H THR A 9 -2.825 0.105 -8.638 1.00 5.08 H new ATOM 0 HA THR A 9 -2.980 2.923 -8.120 1.00 6.24 H new ATOM 0 HB THR A 9 -4.906 2.793 -9.723 1.00 6.63 H new ATOM 0 HG1 THR A 9 -5.250 0.709 -10.745 1.00 5.90 H new ATOM 0 HG21 THR A 9 -3.577 2.129 -11.691 1.00 7.65 H new ATOM 0 HG22 THR A 9 -2.629 3.126 -10.562 1.00 7.65 H new ATOM 0 HG23 THR A 9 -2.380 1.365 -10.619 1.00 7.65 H new ATOM 161 N GLY A 10 -4.945 0.879 -6.574 1.00 5.95 N ATOM 162 CA GLY A 10 -5.996 0.770 -5.576 1.00 6.60 C ATOM 163 C GLY A 10 -7.247 0.114 -6.126 1.00 6.46 C ATOM 164 O GLY A 10 -8.307 0.162 -5.499 1.00 7.08 O ATOM 0 H GLY A 10 -4.427 0.017 -6.743 1.00 5.95 H new ATOM 0 HA2 GLY A 10 -5.629 0.193 -4.727 1.00 6.60 H new ATOM 0 HA3 GLY A 10 -6.244 1.764 -5.203 1.00 6.60 H new ATOM 168 N LYS A 11 -7.122 -0.501 -7.300 1.00 5.81 N ATOM 169 CA LYS A 11 -8.251 -1.169 -7.942 1.00 5.70 C ATOM 170 C LYS A 11 -8.255 -2.664 -7.645 1.00 5.01 C ATOM 171 O LYS A 11 -7.411 -3.411 -8.145 1.00 4.26 O ATOM 172 CB LYS A 11 -8.217 -0.939 -9.456 1.00 5.63 C ATOM 173 CG LYS A 11 -9.428 -1.505 -10.184 1.00 5.81 C ATOM 174 CD LYS A 11 -9.329 -1.299 -11.689 1.00 6.13 C ATOM 175 CE LYS A 11 -10.546 -1.859 -12.409 1.00 6.58 C ATOM 176 NZ LYS A 11 -10.477 -1.631 -13.879 1.00 6.35 N ATOM 0 H LYS A 11 -6.250 -0.550 -7.826 1.00 5.81 H new ATOM 0 HA LYS A 11 -9.165 -0.738 -7.534 1.00 5.70 H new ATOM 0 HB2 LYS A 11 -8.153 0.131 -9.651 1.00 5.63 H new ATOM 0 HB3 LYS A 11 -7.313 -1.392 -9.864 1.00 5.63 H new ATOM 0 HG2 LYS A 11 -9.517 -2.570 -9.968 1.00 5.81 H new ATOM 0 HG3 LYS A 11 -10.333 -1.027 -9.810 1.00 5.81 H new ATOM 0 HD2 LYS A 11 -9.234 -0.235 -11.906 1.00 6.13 H new ATOM 0 HD3 LYS A 11 -8.428 -1.783 -12.065 1.00 6.13 H new ATOM 0 HE2 LYS A 11 -10.625 -2.928 -12.211 1.00 6.58 H new ATOM 0 HE3 LYS A 11 -11.448 -1.394 -12.012 1.00 6.58 H new ATOM 0 HZ1 LYS A 11 -11.392 -1.872 -14.311 1.00 6.35 H new ATOM 0 HZ2 LYS A 11 -10.258 -0.631 -14.065 1.00 6.35 H new ATOM 0 HZ3 LYS A 11 -9.732 -2.230 -14.289 1.00 6.35 H new ATOM 190 N THR A 12 -9.211 -3.093 -6.824 1.00 5.57 N ATOM 191 CA THR A 12 -9.350 -4.500 -6.466 1.00 5.50 C ATOM 192 C THR A 12 -10.444 -5.150 -7.307 1.00 5.42 C ATOM 193 O THR A 12 -11.576 -4.667 -7.342 1.00 6.02 O ATOM 194 CB THR A 12 -9.688 -4.675 -4.971 1.00 6.58 C ATOM 195 OG1 THR A 12 -10.887 -3.958 -4.651 1.00 6.95 O ATOM 196 CG2 THR A 12 -8.548 -4.180 -4.092 1.00 6.85 C ATOM 0 H THR A 12 -9.904 -2.481 -6.393 1.00 5.57 H new ATOM 0 HA THR A 12 -8.393 -4.984 -6.662 1.00 5.50 H new ATOM 0 HB THR A 12 -9.837 -5.738 -4.780 1.00 6.58 H new ATOM 0 HG1 THR A 12 -11.500 -3.989 -5.415 1.00 6.95 H new ATOM 0 HG21 THR A 12 -8.812 -4.315 -3.043 1.00 6.85 H new ATOM 0 HG22 THR A 12 -7.644 -4.747 -4.314 1.00 6.85 H new ATOM 0 HG23 THR A 12 -8.370 -3.123 -4.288 1.00 6.85 H new ATOM 204 N ILE A 13 -10.102 -6.245 -7.984 1.00 4.88 N ATOM 205 CA ILE A 13 -11.058 -6.952 -8.832 1.00 5.00 C ATOM 206 C ILE A 13 -11.281 -8.378 -8.335 1.00 5.65 C ATOM 207 O ILE A 13 -10.361 -9.022 -7.830 1.00 5.97 O ATOM 208 CB ILE A 13 -10.594 -6.985 -10.305 1.00 4.65 C ATOM 209 CG1 ILE A 13 -9.217 -7.645 -10.421 1.00 4.64 C ATOM 210 CG2 ILE A 13 -10.565 -5.576 -10.882 1.00 4.57 C ATOM 211 CD1 ILE A 13 -8.708 -7.749 -11.841 1.00 5.04 C ATOM 0 H ILE A 13 -9.171 -6.661 -7.961 1.00 4.88 H new ATOM 0 HA ILE A 13 -11.999 -6.404 -8.777 1.00 5.00 H new ATOM 0 HB ILE A 13 -11.305 -7.579 -10.879 1.00 4.65 H new ATOM 0 HG12 ILE A 13 -8.500 -7.076 -9.829 1.00 4.64 H new ATOM 0 HG13 ILE A 13 -9.266 -8.644 -9.988 1.00 4.64 H new ATOM 0 HG21 ILE A 13 -10.236 -5.615 -11.920 1.00 4.57 H new ATOM 0 HG22 ILE A 13 -11.564 -5.142 -10.834 1.00 4.57 H new ATOM 0 HG23 ILE A 13 -9.874 -4.961 -10.305 1.00 4.57 H new ATOM 0 HD11 ILE A 13 -7.728 -8.227 -11.842 1.00 5.04 H new ATOM 0 HD12 ILE A 13 -9.403 -8.344 -12.434 1.00 5.04 H new ATOM 0 HD13 ILE A 13 -8.626 -6.751 -12.272 1.00 5.04 H new ATOM 223 N THR A 14 -12.510 -8.866 -8.490 1.00 6.06 N ATOM 224 CA THR A 14 -12.864 -10.210 -8.048 1.00 6.90 C ATOM 225 C THR A 14 -12.830 -11.200 -9.209 1.00 7.04 C ATOM 226 O THR A 14 -13.349 -10.920 -10.290 1.00 6.70 O ATOM 227 CB THR A 14 -14.264 -10.237 -7.402 1.00 7.48 C ATOM 228 OG1 THR A 14 -14.378 -9.184 -6.437 1.00 7.14 O ATOM 229 CG2 THR A 14 -14.527 -11.576 -6.725 1.00 8.28 C ATOM 0 H THR A 14 -13.277 -8.349 -8.919 1.00 6.06 H new ATOM 0 HA THR A 14 -12.123 -10.504 -7.305 1.00 6.90 H new ATOM 0 HB THR A 14 -15.003 -10.094 -8.190 1.00 7.48 H new ATOM 0 HG1 THR A 14 -15.270 -9.206 -6.032 1.00 7.14 H new ATOM 0 HG21 THR A 14 -15.521 -11.568 -6.277 1.00 8.28 H new ATOM 0 HG22 THR A 14 -14.468 -12.375 -7.464 1.00 8.28 H new ATOM 0 HG23 THR A 14 -13.781 -11.744 -5.948 1.00 8.28 H new ATOM 237 N LEU A 15 -12.216 -12.360 -8.973 1.00 7.82 N ATOM 238 CA LEU A 15 -12.108 -13.403 -9.990 1.00 8.34 C ATOM 239 C LEU A 15 -12.618 -14.733 -9.443 1.00 9.47 C ATOM 240 O LEU A 15 -12.524 -14.995 -8.243 1.00 10.02 O ATOM 241 CB LEU A 15 -10.655 -13.559 -10.461 1.00 8.35 C ATOM 242 CG LEU A 15 -10.118 -12.440 -11.363 1.00 8.95 C ATOM 243 CD1 LEU A 15 -10.994 -12.272 -12.597 1.00 8.50 C ATOM 244 CD2 LEU A 15 -10.013 -11.129 -10.596 1.00 9.28 C ATOM 0 H LEU A 15 -11.784 -12.600 -8.081 1.00 7.82 H new ATOM 0 HA LEU A 15 -12.721 -13.108 -10.842 1.00 8.34 H new ATOM 0 HB2 LEU A 15 -10.014 -13.629 -9.582 1.00 8.35 H new ATOM 0 HB3 LEU A 15 -10.567 -14.504 -10.996 1.00 8.35 H new ATOM 0 HG LEU A 15 -9.118 -12.723 -11.691 1.00 8.95 H new ATOM 0 HD11 LEU A 15 -10.594 -11.473 -13.221 1.00 8.50 H new ATOM 0 HD12 LEU A 15 -11.007 -13.203 -13.163 1.00 8.50 H new ATOM 0 HD13 LEU A 15 -12.009 -12.019 -12.291 1.00 8.50 H new ATOM 0 HD21 LEU A 15 -9.630 -10.351 -11.256 1.00 9.28 H new ATOM 0 HD22 LEU A 15 -10.999 -10.842 -10.230 1.00 9.28 H new ATOM 0 HD23 LEU A 15 -9.335 -11.255 -9.752 1.00 9.28 H new ATOM 256 N GLU A 16 -13.159 -15.566 -10.328 1.00 9.94 N ATOM 257 CA GLU A 16 -13.684 -16.872 -9.936 1.00 11.04 C ATOM 258 C GLU A 16 -12.706 -17.981 -10.311 1.00 11.87 C ATOM 259 O GLU A 16 -12.656 -18.416 -11.463 1.00 12.00 O ATOM 260 CB GLU A 16 -15.042 -17.117 -10.602 1.00 11.14 C ATOM 261 CG GLU A 16 -16.080 -16.055 -10.272 1.00 10.90 C ATOM 262 CD GLU A 16 -17.388 -16.264 -11.012 1.00 11.52 C ATOM 263 OE1 GLU A 16 -18.250 -17.005 -10.496 1.00 11.47 O ATOM 264 OE2 GLU A 16 -17.550 -15.686 -12.108 1.00 12.19 O ATOM 0 H GLU A 16 -13.246 -15.360 -11.323 1.00 9.94 H new ATOM 0 HA GLU A 16 -13.814 -16.880 -8.854 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -14.906 -17.157 -11.683 1.00 11.14 H new ATOM 0 HB3 GLU A 16 -15.419 -18.091 -10.292 1.00 11.14 H new ATOM 0 HG2 GLU A 16 -16.270 -16.060 -9.199 1.00 10.90 H new ATOM 0 HG3 GLU A 16 -15.680 -15.072 -10.521 1.00 10.90 H new ATOM 271 N VAL A 17 -11.920 -18.429 -9.331 1.00 12.56 N ATOM 272 CA VAL A 17 -10.936 -19.485 -9.557 1.00 13.49 C ATOM 273 C VAL A 17 -11.172 -20.685 -8.644 1.00 14.65 C ATOM 274 O VAL A 17 -12.171 -20.752 -7.927 1.00 14.73 O ATOM 275 CB VAL A 17 -9.498 -18.966 -9.339 1.00 13.20 C ATOM 276 CG1 VAL A 17 -9.190 -17.819 -10.291 1.00 12.43 C ATOM 277 CG2 VAL A 17 -9.293 -18.537 -7.891 1.00 12.71 C ATOM 0 H VAL A 17 -11.947 -18.076 -8.374 1.00 12.56 H new ATOM 0 HA VAL A 17 -11.055 -19.801 -10.593 1.00 13.49 H new ATOM 0 HB VAL A 17 -8.806 -19.780 -9.553 1.00 13.20 H new ATOM 0 HG11 VAL A 17 -8.172 -17.468 -10.121 1.00 12.43 H new ATOM 0 HG12 VAL A 17 -9.287 -18.164 -11.320 1.00 12.43 H new ATOM 0 HG13 VAL A 17 -9.890 -17.002 -10.115 1.00 12.43 H new ATOM 0 HG21 VAL A 17 -8.273 -18.175 -7.760 1.00 12.71 H new ATOM 0 HG22 VAL A 17 -9.995 -17.741 -7.644 1.00 12.71 H new ATOM 0 HG23 VAL A 17 -9.463 -19.388 -7.232 1.00 12.71 H new ATOM 287 N GLU A 18 -10.231 -21.626 -8.681 1.00 15.63 N ATOM 288 CA GLU A 18 -10.301 -22.839 -7.874 1.00 16.83 C ATOM 289 C GLU A 18 -8.907 -23.234 -7.390 1.00 17.34 C ATOM 290 O GLU A 18 -7.903 -22.817 -7.970 1.00 16.99 O ATOM 291 CB GLU A 18 -10.918 -23.979 -8.692 1.00 17.72 C ATOM 292 CG GLU A 18 -12.426 -23.863 -8.870 1.00 17.49 C ATOM 293 CD GLU A 18 -13.178 -23.981 -7.556 1.00 17.64 C ATOM 294 OE1 GLU A 18 -13.374 -25.121 -7.085 1.00 18.57 O ATOM 295 OE2 GLU A 18 -13.571 -22.934 -6.999 1.00 16.92 O ATOM 0 H GLU A 18 -9.401 -21.568 -9.270 1.00 15.63 H new ATOM 0 HA GLU A 18 -10.930 -22.646 -7.005 1.00 16.83 H new ATOM 0 HB2 GLU A 18 -10.447 -24.005 -9.675 1.00 17.72 H new ATOM 0 HB3 GLU A 18 -10.691 -24.927 -8.205 1.00 17.72 H new ATOM 0 HG2 GLU A 18 -12.661 -22.905 -9.335 1.00 17.49 H new ATOM 0 HG3 GLU A 18 -12.769 -24.641 -9.552 1.00 17.49 H new ATOM 302 N PRO A 19 -8.824 -24.043 -6.318 1.00 18.22 N ATOM 303 CA PRO A 19 -7.541 -24.488 -5.761 1.00 18.80 C ATOM 304 C PRO A 19 -6.711 -25.273 -6.777 1.00 19.40 C ATOM 305 O PRO A 19 -5.481 -25.221 -6.761 1.00 19.49 O ATOM 306 CB PRO A 19 -7.942 -25.384 -4.580 1.00 19.89 C ATOM 307 CG PRO A 19 -9.368 -25.745 -4.826 1.00 19.55 C ATOM 308 CD PRO A 19 -9.968 -24.588 -5.571 1.00 18.79 C ATOM 0 HA PRO A 19 -6.913 -23.646 -5.469 1.00 18.80 H new ATOM 0 HB2 PRO A 19 -7.314 -26.274 -4.530 1.00 19.89 H new ATOM 0 HB3 PRO A 19 -7.827 -24.859 -3.632 1.00 19.89 H new ATOM 0 HG2 PRO A 19 -9.443 -26.664 -5.408 1.00 19.55 H new ATOM 0 HG3 PRO A 19 -9.894 -25.919 -3.887 1.00 19.55 H new ATOM 0 HD2 PRO A 19 -10.768 -24.909 -6.237 1.00 18.79 H new ATOM 0 HD3 PRO A 19 -10.395 -23.850 -4.893 1.00 18.79 H new ATOM 316 N SER A 20 -7.396 -25.988 -7.666 1.00 19.87 N ATOM 317 CA SER A 20 -6.731 -26.790 -8.689 1.00 20.59 C ATOM 318 C SER A 20 -6.323 -25.938 -9.892 1.00 19.81 C ATOM 319 O SER A 20 -5.432 -26.318 -10.653 1.00 20.40 O ATOM 320 CB SER A 20 -7.649 -27.925 -9.148 1.00 21.46 C ATOM 321 OG SER A 20 -7.008 -28.743 -10.110 1.00 21.29 O ATOM 0 H SER A 20 -8.415 -26.028 -7.698 1.00 19.87 H new ATOM 0 HA SER A 20 -5.827 -27.208 -8.247 1.00 20.59 H new ATOM 0 HB2 SER A 20 -7.942 -28.529 -8.290 1.00 21.46 H new ATOM 0 HB3 SER A 20 -8.563 -27.509 -9.571 1.00 21.46 H new ATOM 0 HG SER A 20 -7.615 -29.461 -10.386 1.00 21.29 H new ATOM 327 N ASP A 21 -6.974 -24.786 -10.057 1.00 18.56 N ATOM 328 CA ASP A 21 -6.680 -23.891 -11.175 1.00 17.80 C ATOM 329 C ASP A 21 -5.195 -23.530 -11.216 1.00 17.76 C ATOM 330 O ASP A 21 -4.527 -23.500 -10.183 1.00 17.65 O ATOM 331 CB ASP A 21 -7.527 -22.619 -11.077 1.00 16.48 C ATOM 332 CG ASP A 21 -7.376 -21.728 -12.296 1.00 16.21 C ATOM 333 OD1 ASP A 21 -8.063 -21.983 -13.308 1.00 16.77 O ATOM 334 OD2 ASP A 21 -6.569 -20.777 -12.241 1.00 15.53 O ATOM 0 H ASP A 21 -7.707 -24.452 -9.431 1.00 18.56 H new ATOM 0 HA ASP A 21 -6.930 -24.414 -12.098 1.00 17.80 H new ATOM 0 HB2 ASP A 21 -8.575 -22.892 -10.958 1.00 16.48 H new ATOM 0 HB3 ASP A 21 -7.239 -22.062 -10.185 1.00 16.48 H new ATOM 339 N THR A 22 -4.688 -23.260 -12.418 1.00 17.95 N ATOM 340 CA THR A 22 -3.282 -22.903 -12.596 1.00 18.00 C ATOM 341 C THR A 22 -3.106 -21.391 -12.673 1.00 16.68 C ATOM 342 O THR A 22 -3.925 -20.690 -13.267 1.00 15.89 O ATOM 343 CB THR A 22 -2.691 -23.539 -13.869 1.00 18.92 C ATOM 344 OG1 THR A 22 -3.314 -22.984 -15.031 1.00 19.12 O ATOM 345 CG2 THR A 22 -2.877 -25.050 -13.860 1.00 20.15 C ATOM 0 H THR A 22 -5.230 -23.282 -13.282 1.00 17.95 H new ATOM 0 HA THR A 22 -2.749 -23.289 -11.727 1.00 18.00 H new ATOM 0 HB THR A 22 -1.623 -23.321 -13.891 1.00 18.92 H new ATOM 0 HG1 THR A 22 -2.866 -23.321 -15.835 1.00 19.12 H new ATOM 0 HG21 THR A 22 -2.451 -25.474 -14.769 1.00 20.15 H new ATOM 0 HG22 THR A 22 -2.373 -25.473 -12.991 1.00 20.15 H new ATOM 0 HG23 THR A 22 -3.940 -25.285 -13.813 1.00 20.15 H new ATOM 353 N ILE A 23 -2.027 -20.901 -12.071 1.00 16.47 N ATOM 354 CA ILE A 23 -1.722 -19.474 -12.057 1.00 15.26 C ATOM 355 C ILE A 23 -1.706 -18.892 -13.469 1.00 15.04 C ATOM 356 O ILE A 23 -2.051 -17.727 -13.670 1.00 14.00 O ATOM 357 CB ILE A 23 -0.376 -19.210 -11.351 1.00 15.26 C ATOM 358 CG1 ILE A 23 -0.513 -19.500 -9.852 1.00 15.58 C ATOM 359 CG2 ILE A 23 0.088 -17.777 -11.581 1.00 14.03 C ATOM 360 CD1 ILE A 23 0.757 -20.011 -9.208 1.00 14.76 C ATOM 0 H ILE A 23 -1.343 -21.478 -11.582 1.00 16.47 H new ATOM 0 HA ILE A 23 -2.513 -18.974 -11.498 1.00 15.26 H new ATOM 0 HB ILE A 23 0.377 -19.875 -11.774 1.00 15.26 H new ATOM 0 HG12 ILE A 23 -0.826 -18.588 -9.343 1.00 15.58 H new ATOM 0 HG13 ILE A 23 -1.304 -20.235 -9.705 1.00 15.58 H new ATOM 0 HG21 ILE A 23 1.039 -17.617 -11.073 1.00 14.03 H new ATOM 0 HG22 ILE A 23 0.213 -17.602 -12.650 1.00 14.03 H new ATOM 0 HG23 ILE A 23 -0.656 -17.086 -11.185 1.00 14.03 H new ATOM 0 HD11 ILE A 23 0.580 -20.193 -8.148 1.00 14.76 H new ATOM 0 HD12 ILE A 23 1.061 -20.940 -9.690 1.00 14.76 H new ATOM 0 HD13 ILE A 23 1.547 -19.269 -9.322 1.00 14.76 H new ATOM 372 N GLU A 24 -1.307 -19.703 -14.447 1.00 16.12 N ATOM 373 CA GLU A 24 -1.275 -19.256 -15.835 1.00 16.23 C ATOM 374 C GLU A 24 -2.687 -18.914 -16.295 1.00 15.75 C ATOM 375 O GLU A 24 -2.908 -17.906 -16.968 1.00 15.19 O ATOM 376 CB GLU A 24 -0.673 -20.336 -16.737 1.00 17.64 C ATOM 377 CG GLU A 24 -0.505 -19.900 -18.185 1.00 17.99 C ATOM 378 CD GLU A 24 0.378 -18.673 -18.328 1.00 19.37 C ATOM 379 OE1 GLU A 24 -0.157 -17.545 -18.272 1.00 19.99 O ATOM 380 OE2 GLU A 24 1.605 -18.840 -18.492 1.00 19.87 O ATOM 0 H GLU A 24 -1.004 -20.666 -14.304 1.00 16.12 H new ATOM 0 HA GLU A 24 -0.648 -18.367 -15.903 1.00 16.23 H new ATOM 0 HB2 GLU A 24 0.299 -20.628 -16.340 1.00 17.64 H new ATOM 0 HB3 GLU A 24 -1.310 -21.220 -16.705 1.00 17.64 H new ATOM 0 HG2 GLU A 24 -0.076 -20.721 -18.760 1.00 17.99 H new ATOM 0 HG3 GLU A 24 -1.485 -19.689 -18.613 1.00 17.99 H new ATOM 387 N ASN A 25 -3.641 -19.766 -15.919 1.00 16.04 N ATOM 388 CA ASN A 25 -5.040 -19.551 -16.268 1.00 15.65 C ATOM 389 C ASN A 25 -5.577 -18.320 -15.548 1.00 14.26 C ATOM 390 O ASN A 25 -6.382 -17.574 -16.102 1.00 13.66 O ATOM 391 CB ASN A 25 -5.883 -20.782 -15.918 1.00 16.38 C ATOM 392 CG ASN A 25 -5.824 -21.847 -16.997 1.00 16.31 C ATOM 393 OD1 ASN A 25 -6.736 -21.766 -17.958 1.00 16.31 O flip ATOM 394 ND2 ASN A 25 -4.969 -22.731 -16.969 1.00 16.35 N flip ATOM 0 H ASN A 25 -3.468 -20.610 -15.373 1.00 16.04 H new ATOM 0 HA ASN A 25 -5.105 -19.387 -17.344 1.00 15.65 H new ATOM 0 HB2 ASN A 25 -5.533 -21.203 -14.976 1.00 16.38 H new ATOM 0 HB3 ASN A 25 -6.919 -20.479 -15.766 1.00 16.38 H new ATOM 0 HD21 ASN A 25 -4.286 -22.756 -16.212 1.00 16.35 H new ATOM 0 HD22 ASN A 25 -4.943 -23.439 -17.703 1.00 16.35 H new ATOM 401 N VAL A 26 -5.122 -18.111 -14.312 1.00 13.80 N ATOM 402 CA VAL A 26 -5.549 -16.958 -13.527 1.00 12.52 C ATOM 403 C VAL A 26 -5.229 -15.666 -14.272 1.00 11.74 C ATOM 404 O VAL A 26 -6.072 -14.776 -14.380 1.00 10.85 O ATOM 405 CB VAL A 26 -4.870 -16.925 -12.140 1.00 12.37 C ATOM 406 CG1 VAL A 26 -5.289 -15.686 -11.359 1.00 11.07 C ATOM 407 CG2 VAL A 26 -5.190 -18.188 -11.354 1.00 13.28 C ATOM 0 H VAL A 26 -4.460 -18.724 -13.836 1.00 13.80 H new ATOM 0 HA VAL A 26 -6.625 -17.047 -13.380 1.00 12.52 H new ATOM 0 HB VAL A 26 -3.792 -16.881 -12.293 1.00 12.37 H new ATOM 0 HG11 VAL A 26 -4.798 -15.686 -10.386 1.00 11.07 H new ATOM 0 HG12 VAL A 26 -5.000 -14.792 -11.912 1.00 11.07 H new ATOM 0 HG13 VAL A 26 -6.370 -15.692 -11.220 1.00 11.07 H new ATOM 0 HG21 VAL A 26 -4.702 -18.144 -10.380 1.00 13.28 H new ATOM 0 HG22 VAL A 26 -6.268 -18.267 -11.216 1.00 13.28 H new ATOM 0 HG23 VAL A 26 -4.829 -19.059 -11.902 1.00 13.28 H new ATOM 417 N LYS A 27 -4.002 -15.576 -14.788 1.00 12.21 N ATOM 418 CA LYS A 27 -3.574 -14.399 -15.535 1.00 11.77 C ATOM 419 C LYS A 27 -4.440 -14.211 -16.774 1.00 11.96 C ATOM 420 O LYS A 27 -4.770 -13.086 -17.148 1.00 11.29 O ATOM 421 CB LYS A 27 -2.105 -14.519 -15.945 1.00 12.57 C ATOM 422 CG LYS A 27 -1.128 -14.429 -14.782 1.00 12.29 C ATOM 423 CD LYS A 27 0.307 -14.305 -15.273 1.00 13.09 C ATOM 424 CE LYS A 27 1.299 -14.296 -14.120 1.00 12.80 C ATOM 425 NZ LYS A 27 1.279 -15.575 -13.358 1.00 13.67 N ATOM 0 H LYS A 27 -3.292 -16.303 -14.701 1.00 12.21 H new ATOM 0 HA LYS A 27 -3.686 -13.530 -14.886 1.00 11.77 H new ATOM 0 HB2 LYS A 27 -1.958 -15.470 -16.457 1.00 12.57 H new ATOM 0 HB3 LYS A 27 -1.873 -13.732 -16.662 1.00 12.57 H new ATOM 0 HG2 LYS A 27 -1.377 -13.569 -14.161 1.00 12.29 H new ATOM 0 HG3 LYS A 27 -1.224 -15.315 -14.154 1.00 12.29 H new ATOM 0 HD2 LYS A 27 0.535 -15.134 -15.942 1.00 13.09 H new ATOM 0 HD3 LYS A 27 0.415 -13.388 -15.853 1.00 13.09 H new ATOM 0 HE2 LYS A 27 2.303 -14.120 -14.507 1.00 12.80 H new ATOM 0 HE3 LYS A 27 1.067 -13.470 -13.448 1.00 12.80 H new ATOM 0 HZ1 LYS A 27 1.056 -15.382 -12.361 1.00 13.67 H new ATOM 0 HZ2 LYS A 27 0.556 -16.206 -13.758 1.00 13.67 H new ATOM 0 HZ3 LYS A 27 2.211 -16.032 -13.422 1.00 13.67 H new ATOM 439 N ALA A 28 -4.805 -15.324 -17.406 1.00 12.96 N ATOM 440 CA ALA A 28 -5.642 -15.287 -18.599 1.00 13.31 C ATOM 441 C ALA A 28 -7.019 -14.722 -18.266 1.00 12.36 C ATOM 442 O ALA A 28 -7.606 -13.987 -19.060 1.00 12.18 O ATOM 443 CB ALA A 28 -5.766 -16.678 -19.205 1.00 14.55 C ATOM 0 H ALA A 28 -4.533 -16.262 -17.111 1.00 12.96 H new ATOM 0 HA ALA A 28 -5.171 -14.633 -19.333 1.00 13.31 H new ATOM 0 HB1 ALA A 28 -6.394 -16.633 -20.095 1.00 14.55 H new ATOM 0 HB2 ALA A 28 -4.777 -17.046 -19.478 1.00 14.55 H new ATOM 0 HB3 ALA A 28 -6.216 -17.353 -18.477 1.00 14.55 H new ATOM 449 N LYS A 29 -7.521 -15.065 -17.079 1.00 11.88 N ATOM 450 CA LYS A 29 -8.825 -14.585 -16.632 1.00 11.02 C ATOM 451 C LYS A 29 -8.791 -13.072 -16.460 1.00 9.90 C ATOM 452 O LYS A 29 -9.666 -12.360 -16.952 1.00 9.41 O ATOM 453 CB LYS A 29 -9.226 -15.255 -15.313 1.00 10.98 C ATOM 454 CG LYS A 29 -9.295 -16.775 -15.384 1.00 12.12 C ATOM 455 CD LYS A 29 -10.683 -17.272 -15.774 1.00 12.25 C ATOM 456 CE LYS A 29 -11.011 -16.961 -17.228 1.00 13.42 C ATOM 457 NZ LYS A 29 -12.222 -17.693 -17.691 1.00 13.70 N ATOM 0 H LYS A 29 -7.044 -15.672 -16.413 1.00 11.88 H new ATOM 0 HA LYS A 29 -9.566 -14.843 -17.388 1.00 11.02 H new ATOM 0 HB2 LYS A 29 -8.511 -14.970 -14.541 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -10.199 -14.872 -15.004 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -8.565 -17.137 -16.108 1.00 12.12 H new ATOM 0 HG3 LYS A 29 -9.019 -17.195 -14.417 1.00 12.12 H new ATOM 0 HD2 LYS A 29 -10.742 -18.348 -15.611 1.00 12.25 H new ATOM 0 HD3 LYS A 29 -11.429 -16.810 -15.127 1.00 12.25 H new ATOM 0 HE2 LYS A 29 -11.168 -15.889 -17.344 1.00 13.42 H new ATOM 0 HE3 LYS A 29 -10.162 -17.228 -17.857 1.00 13.42 H new ATOM 0 HZ1 LYS A 29 -12.413 -17.455 -18.685 1.00 13.70 H new ATOM 0 HZ2 LYS A 29 -12.063 -18.717 -17.605 1.00 13.70 H new ATOM 0 HZ3 LYS A 29 -13.038 -17.419 -17.107 1.00 13.70 H new ATOM 471 N ILE A 30 -7.770 -12.591 -15.754 1.00 9.57 N ATOM 472 CA ILE A 30 -7.602 -11.162 -15.523 1.00 8.57 C ATOM 473 C ILE A 30 -7.493 -10.418 -16.852 1.00 8.97 C ATOM 474 O ILE A 30 -8.052 -9.336 -17.016 1.00 8.49 O ATOM 475 CB ILE A 30 -6.351 -10.869 -14.668 1.00 8.26 C ATOM 476 CG1 ILE A 30 -6.446 -11.588 -13.318 1.00 8.10 C ATOM 477 CG2 ILE A 30 -6.184 -9.368 -14.462 1.00 7.34 C ATOM 478 CD1 ILE A 30 -5.172 -11.522 -12.502 1.00 8.06 C ATOM 0 H ILE A 30 -7.046 -13.173 -15.332 1.00 9.57 H new ATOM 0 HA ILE A 30 -8.480 -10.814 -14.979 1.00 8.57 H new ATOM 0 HB ILE A 30 -5.475 -11.243 -15.198 1.00 8.26 H new ATOM 0 HG12 ILE A 30 -7.260 -11.151 -12.740 1.00 8.10 H new ATOM 0 HG13 ILE A 30 -6.703 -12.633 -13.490 1.00 8.10 H new ATOM 0 HG21 ILE A 30 -5.297 -9.180 -13.857 1.00 7.34 H new ATOM 0 HG22 ILE A 30 -6.074 -8.878 -15.429 1.00 7.34 H new ATOM 0 HG23 ILE A 30 -7.062 -8.971 -13.952 1.00 7.34 H new ATOM 0 HD11 ILE A 30 -5.315 -12.052 -11.560 1.00 8.06 H new ATOM 0 HD12 ILE A 30 -4.358 -11.986 -13.060 1.00 8.06 H new ATOM 0 HD13 ILE A 30 -4.924 -10.480 -12.298 1.00 8.06 H new ATOM 490 N GLN A 31 -6.764 -11.010 -17.794 1.00 10.07 N ATOM 491 CA GLN A 31 -6.586 -10.419 -19.118 1.00 10.78 C ATOM 492 C GLN A 31 -7.928 -10.275 -19.833 1.00 10.96 C ATOM 493 O GLN A 31 -8.146 -9.324 -20.579 1.00 11.22 O ATOM 494 CB GLN A 31 -5.647 -11.287 -19.961 1.00 12.02 C ATOM 495 CG GLN A 31 -5.329 -10.696 -21.329 1.00 12.96 C ATOM 496 CD GLN A 31 -4.840 -11.735 -22.323 1.00 14.24 C ATOM 497 OE1 GLN A 31 -4.183 -12.776 -21.826 1.00 14.59 O flip ATOM 498 NE2 GLN A 31 -5.052 -11.602 -23.528 1.00 15.04 N flip ATOM 0 H GLN A 31 -6.285 -11.901 -17.665 1.00 10.07 H new ATOM 0 HA GLN A 31 -6.149 -9.429 -18.991 1.00 10.78 H new ATOM 0 HB2 GLN A 31 -4.716 -11.436 -19.414 1.00 12.02 H new ATOM 0 HB3 GLN A 31 -6.098 -12.270 -20.096 1.00 12.02 H new ATOM 0 HG2 GLN A 31 -6.221 -10.212 -21.726 1.00 12.96 H new ATOM 0 HG3 GLN A 31 -4.570 -9.922 -21.217 1.00 12.96 H new ATOM 0 HE21 GLN A 31 -5.561 -10.787 -23.869 1.00 15.04 H new ATOM 0 HE22 GLN A 31 -4.719 -12.307 -24.185 1.00 15.04 H new ATOM 507 N ASP A 32 -8.823 -11.230 -19.599 1.00 10.94 N ATOM 508 CA ASP A 32 -10.140 -11.215 -20.232 1.00 11.14 C ATOM 509 C ASP A 32 -10.975 -10.031 -19.749 1.00 10.25 C ATOM 510 O ASP A 32 -11.734 -9.441 -20.519 1.00 10.60 O ATOM 511 CB ASP A 32 -10.886 -12.525 -19.954 1.00 11.35 C ATOM 512 CG ASP A 32 -10.123 -13.749 -20.432 1.00 11.58 C ATOM 513 OD1 ASP A 32 -9.477 -13.670 -21.498 1.00 10.94 O ATOM 514 OD2 ASP A 32 -10.174 -14.787 -19.740 1.00 12.47 O ATOM 0 H ASP A 32 -8.662 -12.023 -18.978 1.00 10.94 H new ATOM 0 HA ASP A 32 -9.987 -11.112 -21.306 1.00 11.14 H new ATOM 0 HB2 ASP A 32 -11.071 -12.613 -18.883 1.00 11.35 H new ATOM 0 HB3 ASP A 32 -11.859 -12.495 -20.444 1.00 11.35 H new ATOM 519 N LYS A 33 -10.828 -9.690 -18.472 1.00 9.23 N ATOM 520 CA LYS A 33 -11.575 -8.583 -17.879 1.00 8.49 C ATOM 521 C LYS A 33 -10.824 -7.253 -18.000 1.00 8.32 C ATOM 522 O LYS A 33 -11.299 -6.325 -18.657 1.00 8.52 O ATOM 523 CB LYS A 33 -11.866 -8.888 -16.404 1.00 7.63 C ATOM 524 CG LYS A 33 -12.299 -7.676 -15.590 1.00 7.20 C ATOM 525 CD LYS A 33 -13.553 -7.028 -16.161 1.00 6.55 C ATOM 526 CE LYS A 33 -13.952 -5.794 -15.366 1.00 6.99 C ATOM 527 NZ LYS A 33 -15.151 -5.125 -15.943 1.00 6.67 N ATOM 0 H LYS A 33 -10.197 -10.165 -17.826 1.00 9.23 H new ATOM 0 HA LYS A 33 -12.511 -8.481 -18.429 1.00 8.49 H new ATOM 0 HB2 LYS A 33 -12.647 -9.647 -16.349 1.00 7.63 H new ATOM 0 HB3 LYS A 33 -10.972 -9.316 -15.950 1.00 7.63 H new ATOM 0 HG2 LYS A 33 -12.484 -7.978 -14.559 1.00 7.20 H new ATOM 0 HG3 LYS A 33 -11.490 -6.945 -15.568 1.00 7.20 H new ATOM 0 HD2 LYS A 33 -13.380 -6.752 -17.201 1.00 6.55 H new ATOM 0 HD3 LYS A 33 -14.372 -7.748 -16.154 1.00 6.55 H new ATOM 0 HE2 LYS A 33 -14.156 -6.078 -14.334 1.00 6.99 H new ATOM 0 HE3 LYS A 33 -13.119 -5.091 -15.345 1.00 6.99 H new ATOM 0 HZ1 LYS A 33 -15.390 -4.289 -15.373 1.00 6.67 H new ATOM 0 HZ2 LYS A 33 -14.948 -4.831 -16.920 1.00 6.67 H new ATOM 0 HZ3 LYS A 33 -15.953 -5.787 -15.940 1.00 6.67 H new ATOM 541 N GLU A 34 -9.654 -7.168 -17.367 1.00 8.14 N ATOM 542 CA GLU A 34 -8.853 -5.942 -17.366 1.00 8.06 C ATOM 543 C GLU A 34 -8.069 -5.727 -18.664 1.00 9.21 C ATOM 544 O GLU A 34 -7.543 -4.637 -18.892 1.00 9.60 O ATOM 545 CB GLU A 34 -7.873 -5.967 -16.191 1.00 7.25 C ATOM 546 CG GLU A 34 -8.540 -6.103 -14.831 1.00 6.20 C ATOM 547 CD GLU A 34 -9.298 -4.854 -14.421 1.00 6.09 C ATOM 548 OE1 GLU A 34 -10.494 -4.745 -14.762 1.00 6.14 O ATOM 549 OE2 GLU A 34 -8.693 -3.986 -13.758 1.00 6.20 O ATOM 0 H GLU A 34 -9.237 -7.939 -16.845 1.00 8.14 H new ATOM 0 HA GLU A 34 -9.556 -5.114 -17.273 1.00 8.06 H new ATOM 0 HB2 GLU A 34 -7.179 -6.796 -16.328 1.00 7.25 H new ATOM 0 HB3 GLU A 34 -7.282 -5.051 -16.204 1.00 7.25 H new ATOM 0 HG2 GLU A 34 -9.227 -6.949 -14.851 1.00 6.20 H new ATOM 0 HG3 GLU A 34 -7.782 -6.325 -14.080 1.00 6.20 H new ATOM 556 N GLY A 35 -7.986 -6.749 -19.510 1.00 9.92 N ATOM 557 CA GLY A 35 -7.245 -6.612 -20.759 1.00 11.11 C ATOM 558 C GLY A 35 -5.734 -6.687 -20.577 1.00 11.26 C ATOM 559 O GLY A 35 -4.997 -6.818 -21.555 1.00 12.20 O ATOM 0 H GLY A 35 -8.413 -7.663 -19.359 1.00 9.92 H new ATOM 0 HA2 GLY A 35 -7.560 -7.396 -21.448 1.00 11.11 H new ATOM 0 HA3 GLY A 35 -7.501 -5.659 -21.222 1.00 11.11 H new ATOM 563 N ILE A 36 -5.273 -6.605 -19.329 1.00 10.40 N ATOM 564 CA ILE A 36 -3.839 -6.653 -19.026 1.00 10.49 C ATOM 565 C ILE A 36 -3.209 -7.972 -19.489 1.00 11.27 C ATOM 566 O ILE A 36 -3.703 -9.050 -19.158 1.00 11.07 O ATOM 567 CB ILE A 36 -3.591 -6.467 -17.510 1.00 9.23 C ATOM 568 CG1 ILE A 36 -2.088 -6.400 -17.205 1.00 8.55 C ATOM 569 CG2 ILE A 36 -4.248 -7.588 -16.716 1.00 9.38 C ATOM 570 CD1 ILE A 36 -1.465 -5.052 -17.504 1.00 7.28 C ATOM 0 H ILE A 36 -5.871 -6.505 -18.509 1.00 10.40 H new ATOM 0 HA ILE A 36 -3.368 -5.835 -19.571 1.00 10.49 H new ATOM 0 HB ILE A 36 -4.042 -5.522 -17.208 1.00 9.23 H new ATOM 0 HG12 ILE A 36 -1.929 -6.639 -16.153 1.00 8.55 H new ATOM 0 HG13 ILE A 36 -1.574 -7.165 -17.787 1.00 8.55 H new ATOM 0 HG21 ILE A 36 -4.062 -7.438 -15.653 1.00 9.38 H new ATOM 0 HG22 ILE A 36 -5.322 -7.583 -16.900 1.00 9.38 H new ATOM 0 HG23 ILE A 36 -3.831 -8.546 -17.026 1.00 9.38 H new ATOM 0 HD11 ILE A 36 -0.402 -5.081 -17.264 1.00 7.28 H new ATOM 0 HD12 ILE A 36 -1.592 -4.819 -18.561 1.00 7.28 H new ATOM 0 HD13 ILE A 36 -1.952 -4.285 -16.902 1.00 7.28 H new ATOM 582 N PRO A 37 -2.105 -7.901 -20.265 1.00 12.32 N ATOM 583 CA PRO A 37 -1.413 -9.095 -20.769 1.00 13.26 C ATOM 584 C PRO A 37 -0.632 -9.830 -19.674 1.00 12.81 C ATOM 585 O PRO A 37 0.032 -9.201 -18.850 1.00 12.09 O ATOM 586 CB PRO A 37 -0.456 -8.530 -21.820 1.00 14.23 C ATOM 587 CG PRO A 37 -0.190 -7.134 -21.378 1.00 14.14 C ATOM 588 CD PRO A 37 -1.456 -6.655 -20.718 1.00 12.79 C ATOM 0 HA PRO A 37 -2.112 -9.835 -21.159 1.00 13.26 H new ATOM 0 HB2 PRO A 37 0.465 -9.111 -21.871 1.00 14.23 H new ATOM 0 HB3 PRO A 37 -0.902 -8.552 -22.814 1.00 14.23 H new ATOM 0 HG2 PRO A 37 0.649 -7.099 -20.683 1.00 14.14 H new ATOM 0 HG3 PRO A 37 0.071 -6.500 -22.225 1.00 14.14 H new ATOM 0 HD2 PRO A 37 -1.245 -5.987 -19.883 1.00 12.79 H new ATOM 0 HD3 PRO A 37 -2.088 -6.104 -21.415 1.00 12.79 H new ATOM 596 N PRO A 38 -0.711 -11.177 -19.653 1.00 13.33 N ATOM 597 CA PRO A 38 -0.010 -12.007 -18.658 1.00 13.21 C ATOM 598 C PRO A 38 1.496 -11.759 -18.637 1.00 13.55 C ATOM 599 O PRO A 38 2.145 -11.917 -17.601 1.00 13.14 O ATOM 600 CB PRO A 38 -0.303 -13.440 -19.115 1.00 14.22 C ATOM 601 CG PRO A 38 -1.554 -13.337 -19.914 1.00 14.34 C ATOM 602 CD PRO A 38 -1.499 -11.997 -20.590 1.00 14.21 C ATOM 0 HA PRO A 38 -0.347 -11.786 -17.645 1.00 13.21 H new ATOM 0 HB2 PRO A 38 0.516 -13.840 -19.713 1.00 14.22 H new ATOM 0 HB3 PRO A 38 -0.432 -14.108 -18.263 1.00 14.22 H new ATOM 0 HG2 PRO A 38 -1.618 -14.142 -20.646 1.00 14.34 H new ATOM 0 HG3 PRO A 38 -2.434 -13.417 -19.275 1.00 14.34 H new ATOM 0 HD2 PRO A 38 -1.023 -12.059 -21.569 1.00 14.21 H new ATOM 0 HD3 PRO A 38 -2.496 -11.584 -20.746 1.00 14.21 H new ATOM 610 N ASP A 39 2.044 -11.369 -19.783 1.00 14.37 N ATOM 611 CA ASP A 39 3.476 -11.103 -19.906 1.00 14.81 C ATOM 612 C ASP A 39 3.907 -9.958 -18.993 1.00 13.75 C ATOM 613 O ASP A 39 5.070 -9.872 -18.598 1.00 13.74 O ATOM 614 CB ASP A 39 3.825 -10.770 -21.360 1.00 15.96 C ATOM 615 CG ASP A 39 5.294 -10.435 -21.546 1.00 16.45 C ATOM 616 OD1 ASP A 39 6.097 -11.372 -21.736 1.00 16.96 O ATOM 617 OD2 ASP A 39 5.640 -9.235 -21.500 1.00 16.42 O ATOM 0 H ASP A 39 1.517 -11.229 -20.645 1.00 14.37 H new ATOM 0 HA ASP A 39 4.013 -12.001 -19.601 1.00 14.81 H new ATOM 0 HB2 ASP A 39 3.566 -11.617 -21.995 1.00 15.96 H new ATOM 0 HB3 ASP A 39 3.219 -9.927 -21.691 1.00 15.96 H new ATOM 622 N GLN A 40 2.959 -9.086 -18.661 1.00 12.90 N ATOM 623 CA GLN A 40 3.233 -7.936 -17.801 1.00 11.90 C ATOM 624 C GLN A 40 2.604 -8.109 -16.418 1.00 10.64 C ATOM 625 O GLN A 40 2.833 -7.297 -15.521 1.00 9.67 O ATOM 626 CB GLN A 40 2.700 -6.658 -18.455 1.00 11.91 C ATOM 627 CG GLN A 40 3.293 -6.381 -19.829 1.00 13.23 C ATOM 628 CD GLN A 40 2.684 -5.160 -20.497 1.00 13.45 C ATOM 629 OE1 GLN A 40 2.255 -4.220 -19.827 1.00 14.45 O ATOM 630 NE2 GLN A 40 2.643 -5.169 -21.825 1.00 12.63 N ATOM 0 H GLN A 40 1.991 -9.153 -18.975 1.00 12.90 H new ATOM 0 HA GLN A 40 4.313 -7.862 -17.674 1.00 11.90 H new ATOM 0 HB2 GLN A 40 1.616 -6.731 -18.545 1.00 11.91 H new ATOM 0 HB3 GLN A 40 2.909 -5.811 -17.801 1.00 11.91 H new ATOM 0 HG2 GLN A 40 4.369 -6.238 -19.733 1.00 13.23 H new ATOM 0 HG3 GLN A 40 3.142 -7.252 -20.467 1.00 13.23 H new ATOM 0 HE21 GLN A 40 3.010 -5.969 -22.341 1.00 12.63 H new ATOM 0 HE22 GLN A 40 2.245 -4.376 -22.328 1.00 12.63 H new ATOM 639 N GLN A 41 1.814 -9.168 -16.250 1.00 10.76 N ATOM 640 CA GLN A 41 1.146 -9.433 -14.977 1.00 9.79 C ATOM 641 C GLN A 41 2.074 -10.111 -13.976 1.00 9.92 C ATOM 642 O GLN A 41 2.685 -11.140 -14.271 1.00 10.91 O ATOM 643 CB GLN A 41 -0.093 -10.302 -15.194 1.00 9.99 C ATOM 644 CG GLN A 41 -1.281 -9.548 -15.767 1.00 9.70 C ATOM 645 CD GLN A 41 -2.482 -10.443 -15.992 1.00 9.80 C ATOM 646 OE1 GLN A 41 -3.287 -10.657 -15.087 1.00 9.65 O ATOM 647 NE2 GLN A 41 -2.613 -10.967 -17.206 1.00 10.21 N ATOM 0 H GLN A 41 1.621 -9.856 -16.978 1.00 10.76 H new ATOM 0 HA GLN A 41 0.850 -8.469 -14.564 1.00 9.79 H new ATOM 0 HB2 GLN A 41 0.163 -11.121 -15.866 1.00 9.99 H new ATOM 0 HB3 GLN A 41 -0.383 -10.748 -14.243 1.00 9.99 H new ATOM 0 HG2 GLN A 41 -1.556 -8.740 -15.089 1.00 9.70 H new ATOM 0 HG3 GLN A 41 -0.993 -9.087 -16.712 1.00 9.70 H new ATOM 0 HE21 GLN A 41 -1.921 -10.763 -17.927 1.00 10.21 H new ATOM 0 HE22 GLN A 41 -3.405 -11.574 -17.417 1.00 10.21 H new ATOM 656 N ARG A 42 2.163 -9.520 -12.787 1.00 9.04 N ATOM 657 CA ARG A 42 2.985 -10.054 -11.707 1.00 9.21 C ATOM 658 C ARG A 42 2.103 -10.334 -10.494 1.00 8.55 C ATOM 659 O ARG A 42 1.583 -9.411 -9.872 1.00 7.55 O ATOM 660 CB ARG A 42 4.096 -9.064 -11.343 1.00 8.92 C ATOM 661 CG ARG A 42 4.958 -9.504 -10.167 1.00 9.32 C ATOM 662 CD ARG A 42 5.740 -10.771 -10.484 1.00 8.97 C ATOM 663 NE ARG A 42 6.693 -11.103 -9.427 1.00 9.07 N ATOM 664 CZ ARG A 42 7.973 -10.735 -9.436 1.00 8.61 C ATOM 665 NH1 ARG A 42 8.456 -10.020 -10.444 1.00 8.06 N ATOM 666 NH2 ARG A 42 8.772 -11.081 -8.438 1.00 8.89 N ATOM 0 H ARG A 42 1.669 -8.661 -12.547 1.00 9.04 H new ATOM 0 HA ARG A 42 3.452 -10.983 -12.034 1.00 9.21 H new ATOM 0 HB2 ARG A 42 4.735 -8.915 -12.213 1.00 8.92 H new ATOM 0 HB3 ARG A 42 3.646 -8.099 -11.109 1.00 8.92 H new ATOM 0 HG2 ARG A 42 5.651 -8.705 -9.905 1.00 9.32 H new ATOM 0 HG3 ARG A 42 4.325 -9.675 -9.296 1.00 9.32 H new ATOM 0 HD2 ARG A 42 5.047 -11.601 -10.621 1.00 8.97 H new ATOM 0 HD3 ARG A 42 6.273 -10.642 -11.426 1.00 8.97 H new ATOM 0 HE ARG A 42 6.357 -11.650 -8.634 1.00 9.07 H new ATOM 0 HH11 ARG A 42 7.846 -9.750 -11.216 1.00 8.06 H new ATOM 0 HH12 ARG A 42 9.437 -9.740 -10.447 1.00 8.06 H new ATOM 0 HH21 ARG A 42 8.407 -11.631 -7.660 1.00 8.89 H new ATOM 0 HH22 ARG A 42 9.752 -10.798 -8.447 1.00 8.89 H new ATOM 680 N LEU A 43 1.945 -11.610 -10.160 1.00 9.27 N ATOM 681 CA LEU A 43 1.104 -12.007 -9.036 1.00 9.04 C ATOM 682 C LEU A 43 1.947 -12.312 -7.807 1.00 9.51 C ATOM 683 O LEU A 43 2.835 -13.161 -7.848 1.00 10.56 O ATOM 684 CB LEU A 43 0.257 -13.228 -9.411 1.00 9.79 C ATOM 685 CG LEU A 43 -0.858 -12.961 -10.428 1.00 9.27 C ATOM 686 CD1 LEU A 43 -1.427 -14.271 -10.959 1.00 10.24 C ATOM 687 CD2 LEU A 43 -1.961 -12.118 -9.800 1.00 8.15 C ATOM 0 H LEU A 43 2.388 -12.387 -10.651 1.00 9.27 H new ATOM 0 HA LEU A 43 0.441 -11.175 -8.798 1.00 9.04 H new ATOM 0 HB2 LEU A 43 0.916 -13.998 -9.812 1.00 9.79 H new ATOM 0 HB3 LEU A 43 -0.190 -13.633 -8.503 1.00 9.79 H new ATOM 0 HG LEU A 43 -0.432 -12.408 -11.265 1.00 9.27 H new ATOM 0 HD11 LEU A 43 -2.217 -14.059 -11.679 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -0.635 -14.841 -11.446 1.00 10.24 H new ATOM 0 HD13 LEU A 43 -1.836 -14.852 -10.132 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -2.745 -11.938 -10.536 1.00 8.15 H new ATOM 0 HD22 LEU A 43 -2.381 -12.647 -8.945 1.00 8.15 H new ATOM 0 HD23 LEU A 43 -1.547 -11.165 -9.470 1.00 8.15 H new ATOM 699 N ILE A 44 1.666 -11.606 -6.717 1.00 8.83 N ATOM 700 CA ILE A 44 2.394 -11.797 -5.469 1.00 9.35 C ATOM 701 C ILE A 44 1.469 -12.304 -4.370 1.00 9.75 C ATOM 702 O ILE A 44 0.343 -11.826 -4.220 1.00 9.11 O ATOM 703 CB ILE A 44 3.065 -10.489 -5.000 1.00 8.53 C ATOM 704 CG1 ILE A 44 3.992 -9.933 -6.090 1.00 8.20 C ATOM 705 CG2 ILE A 44 3.833 -10.721 -3.704 1.00 9.24 C ATOM 706 CD1 ILE A 44 4.989 -10.941 -6.627 1.00 9.33 C ATOM 0 H ILE A 44 0.937 -10.894 -6.673 1.00 8.83 H new ATOM 0 HA ILE A 44 3.167 -12.540 -5.664 1.00 9.35 H new ATOM 0 HB ILE A 44 2.286 -9.751 -4.810 1.00 8.53 H new ATOM 0 HG12 ILE A 44 3.384 -9.564 -6.916 1.00 8.20 H new ATOM 0 HG13 ILE A 44 4.536 -9.078 -5.688 1.00 8.20 H new ATOM 0 HG21 ILE A 44 4.301 -9.789 -3.386 1.00 9.24 H new ATOM 0 HG22 ILE A 44 3.146 -11.064 -2.931 1.00 9.24 H new ATOM 0 HG23 ILE A 44 4.602 -11.476 -3.867 1.00 9.24 H new ATOM 0 HD11 ILE A 44 5.606 -10.470 -7.392 1.00 9.33 H new ATOM 0 HD12 ILE A 44 5.624 -11.293 -5.814 1.00 9.33 H new ATOM 0 HD13 ILE A 44 4.454 -11.786 -7.061 1.00 9.33 H new ATOM 718 N PHE A 45 1.957 -13.276 -3.607 1.00 10.94 N ATOM 719 CA PHE A 45 1.192 -13.853 -2.511 1.00 11.61 C ATOM 720 C PHE A 45 2.124 -14.468 -1.474 1.00 12.55 C ATOM 721 O PHE A 45 2.993 -15.274 -1.810 1.00 13.34 O ATOM 722 CB PHE A 45 0.210 -14.910 -3.020 1.00 12.32 C ATOM 723 CG PHE A 45 -0.656 -15.480 -1.932 1.00 13.14 C ATOM 724 CD1 PHE A 45 -1.737 -14.761 -1.444 1.00 12.72 C ATOM 725 CD2 PHE A 45 -0.388 -16.728 -1.392 1.00 14.44 C ATOM 726 CE1 PHE A 45 -2.531 -15.275 -0.438 1.00 13.62 C ATOM 727 CE2 PHE A 45 -1.180 -17.248 -0.386 1.00 15.27 C ATOM 728 CZ PHE A 45 -2.253 -16.520 0.091 1.00 14.88 C ATOM 0 H PHE A 45 2.885 -13.682 -3.730 1.00 10.94 H new ATOM 0 HA PHE A 45 0.622 -13.049 -2.045 1.00 11.61 H new ATOM 0 HB2 PHE A 45 -0.425 -14.468 -3.788 1.00 12.32 H new ATOM 0 HB3 PHE A 45 0.768 -15.718 -3.494 1.00 12.32 H new ATOM 0 HD1 PHE A 45 -1.960 -13.788 -1.856 1.00 12.72 H new ATOM 0 HD2 PHE A 45 0.450 -17.301 -1.762 1.00 14.44 H new ATOM 0 HE1 PHE A 45 -3.369 -14.704 -0.065 1.00 13.62 H new ATOM 0 HE2 PHE A 45 -0.961 -18.222 0.027 1.00 15.27 H new ATOM 0 HZ PHE A 45 -2.874 -16.924 0.877 1.00 14.88 H new ATOM 738 N ALA A 46 1.938 -14.073 -0.218 1.00 12.55 N ATOM 739 CA ALA A 46 2.751 -14.578 0.886 1.00 13.48 C ATOM 740 C ALA A 46 4.205 -14.125 0.772 1.00 13.42 C ATOM 741 O ALA A 46 5.091 -14.687 1.417 1.00 14.38 O ATOM 742 CB ALA A 46 2.671 -16.098 0.954 1.00 14.76 C ATOM 0 H ALA A 46 1.226 -13.399 0.063 1.00 12.55 H new ATOM 0 HA ALA A 46 2.348 -14.161 1.809 1.00 13.48 H new ATOM 0 HB1 ALA A 46 3.282 -16.458 1.782 1.00 14.76 H new ATOM 0 HB2 ALA A 46 1.636 -16.401 1.109 1.00 14.76 H new ATOM 0 HB3 ALA A 46 3.038 -16.524 0.020 1.00 14.76 H new ATOM 748 N GLY A 47 4.441 -13.104 -0.046 1.00 12.34 N ATOM 749 CA GLY A 47 5.787 -12.590 -0.223 1.00 12.25 C ATOM 750 C GLY A 47 6.530 -13.257 -1.366 1.00 12.73 C ATOM 751 O GLY A 47 7.672 -12.897 -1.659 1.00 12.99 O ATOM 0 H GLY A 47 3.724 -12.623 -0.590 1.00 12.34 H new ATOM 0 HA2 GLY A 47 5.739 -11.516 -0.405 1.00 12.25 H new ATOM 0 HA3 GLY A 47 6.349 -12.732 0.700 1.00 12.25 H new ATOM 755 N LYS A 48 5.890 -14.233 -2.007 1.00 12.95 N ATOM 756 CA LYS A 48 6.498 -14.947 -3.128 1.00 13.60 C ATOM 757 C LYS A 48 5.689 -14.739 -4.405 1.00 12.95 C ATOM 758 O LYS A 48 4.469 -14.587 -4.359 1.00 12.25 O ATOM 759 CB LYS A 48 6.602 -16.443 -2.811 1.00 14.88 C ATOM 760 CG LYS A 48 7.341 -17.251 -3.872 1.00 15.77 C ATOM 761 CD LYS A 48 8.762 -16.743 -4.090 1.00 16.95 C ATOM 762 CE LYS A 48 9.583 -16.794 -2.810 1.00 16.96 C ATOM 763 NZ LYS A 48 10.988 -16.357 -3.035 1.00 17.08 N ATOM 0 H LYS A 48 4.949 -14.548 -1.769 1.00 12.95 H new ATOM 0 HA LYS A 48 7.500 -14.546 -3.284 1.00 13.60 H new ATOM 0 HB2 LYS A 48 7.110 -16.567 -1.855 1.00 14.88 H new ATOM 0 HB3 LYS A 48 5.598 -16.850 -2.693 1.00 14.88 H new ATOM 0 HG2 LYS A 48 7.372 -18.299 -3.573 1.00 15.77 H new ATOM 0 HG3 LYS A 48 6.791 -17.204 -4.812 1.00 15.77 H new ATOM 0 HD2 LYS A 48 9.249 -17.344 -4.858 1.00 16.95 H new ATOM 0 HD3 LYS A 48 8.729 -15.718 -4.460 1.00 16.95 H new ATOM 0 HE2 LYS A 48 9.121 -16.157 -2.056 1.00 16.96 H new ATOM 0 HE3 LYS A 48 9.577 -17.810 -2.415 1.00 16.96 H new ATOM 0 HZ1 LYS A 48 11.514 -16.406 -2.139 1.00 17.08 H new ATOM 0 HZ2 LYS A 48 11.438 -16.981 -3.735 1.00 17.08 H new ATOM 0 HZ3 LYS A 48 10.995 -15.379 -3.388 1.00 17.08 H new ATOM 777 N GLN A 49 6.377 -14.741 -5.545 1.00 13.28 N ATOM 778 CA GLN A 49 5.719 -14.555 -6.832 1.00 12.91 C ATOM 779 C GLN A 49 5.120 -15.872 -7.312 1.00 13.82 C ATOM 780 O GLN A 49 5.786 -16.909 -7.297 1.00 14.97 O ATOM 781 CB GLN A 49 6.708 -14.003 -7.868 1.00 13.03 C ATOM 782 CG GLN A 49 7.833 -14.962 -8.232 1.00 12.43 C ATOM 783 CD GLN A 49 7.553 -15.754 -9.497 1.00 12.64 C ATOM 784 OE1 GLN A 49 6.402 -16.046 -9.824 1.00 12.65 O ATOM 785 NE2 GLN A 49 8.609 -16.104 -10.220 1.00 12.96 N ATOM 0 H GLN A 49 7.387 -14.869 -5.602 1.00 13.28 H new ATOM 0 HA GLN A 49 4.914 -13.831 -6.710 1.00 12.91 H new ATOM 0 HB2 GLN A 49 6.160 -13.743 -8.774 1.00 13.03 H new ATOM 0 HB3 GLN A 49 7.143 -13.081 -7.483 1.00 13.03 H new ATOM 0 HG2 GLN A 49 8.757 -14.398 -8.361 1.00 12.43 H new ATOM 0 HG3 GLN A 49 7.995 -15.654 -7.405 1.00 12.43 H new ATOM 0 HE21 GLN A 49 9.546 -15.842 -9.914 1.00 12.96 H new ATOM 0 HE22 GLN A 49 8.484 -16.635 -11.082 1.00 12.96 H new ATOM 794 N LEU A 50 3.857 -15.830 -7.728 1.00 13.33 N ATOM 795 CA LEU A 50 3.164 -17.020 -8.202 1.00 14.13 C ATOM 796 C LEU A 50 3.722 -17.489 -9.541 1.00 14.81 C ATOM 797 O LEU A 50 3.859 -16.704 -10.480 1.00 14.27 O ATOM 798 CB LEU A 50 1.664 -16.740 -8.323 1.00 13.38 C ATOM 799 CG LEU A 50 0.981 -16.293 -7.026 1.00 12.72 C ATOM 800 CD1 LEU A 50 -0.524 -16.195 -7.223 1.00 12.09 C ATOM 801 CD2 LEU A 50 1.311 -17.248 -5.888 1.00 13.76 C ATOM 0 H LEU A 50 3.293 -14.980 -7.746 1.00 13.33 H new ATOM 0 HA LEU A 50 3.323 -17.817 -7.475 1.00 14.13 H new ATOM 0 HB2 LEU A 50 1.514 -15.969 -9.079 1.00 13.38 H new ATOM 0 HB3 LEU A 50 1.169 -17.642 -8.684 1.00 13.38 H new ATOM 0 HG LEU A 50 1.359 -15.305 -6.762 1.00 12.72 H new ATOM 0 HD11 LEU A 50 -0.993 -15.876 -6.292 1.00 12.09 H new ATOM 0 HD12 LEU A 50 -0.742 -15.469 -8.006 1.00 12.09 H new ATOM 0 HD13 LEU A 50 -0.917 -17.170 -7.512 1.00 12.09 H new ATOM 0 HD21 LEU A 50 0.816 -16.913 -4.976 1.00 13.76 H new ATOM 0 HD22 LEU A 50 0.964 -18.250 -6.142 1.00 13.76 H new ATOM 0 HD23 LEU A 50 2.389 -17.267 -5.730 1.00 13.76 H new ATOM 813 N GLU A 51 4.037 -18.780 -9.618 1.00 16.07 N ATOM 814 CA GLU A 51 4.583 -19.371 -10.834 1.00 16.92 C ATOM 815 C GLU A 51 3.450 -19.811 -11.761 1.00 17.12 C ATOM 816 O GLU A 51 2.553 -20.541 -11.351 1.00 17.35 O ATOM 817 CB GLU A 51 5.478 -20.562 -10.480 1.00 18.22 C ATOM 818 CG GLU A 51 6.597 -20.815 -11.481 1.00 19.07 C ATOM 819 CD GLU A 51 6.089 -21.312 -12.821 1.00 20.22 C ATOM 820 OE1 GLU A 51 5.848 -22.531 -12.948 1.00 21.00 O ATOM 821 OE2 GLU A 51 5.936 -20.483 -13.743 1.00 20.40 O ATOM 0 H GLU A 51 3.922 -19.438 -8.848 1.00 16.07 H new ATOM 0 HA GLU A 51 5.184 -18.624 -11.353 1.00 16.92 H new ATOM 0 HB2 GLU A 51 5.916 -20.394 -9.496 1.00 18.22 H new ATOM 0 HB3 GLU A 51 4.861 -21.458 -10.406 1.00 18.22 H new ATOM 0 HG2 GLU A 51 7.159 -19.893 -11.630 1.00 19.07 H new ATOM 0 HG3 GLU A 51 7.290 -21.547 -11.066 1.00 19.07 H new ATOM 828 N ASP A 52 3.496 -19.342 -13.002 1.00 17.11 N ATOM 829 CA ASP A 52 2.475 -19.672 -13.999 1.00 17.32 C ATOM 830 C ASP A 52 2.182 -21.175 -14.065 1.00 18.50 C ATOM 831 O ASP A 52 1.025 -21.580 -14.188 1.00 18.49 O ATOM 832 CB ASP A 52 2.906 -19.169 -15.377 1.00 17.56 C ATOM 833 CG ASP A 52 2.877 -17.657 -15.474 1.00 16.47 C ATOM 834 OD1 ASP A 52 3.785 -17.008 -14.911 1.00 16.20 O ATOM 835 OD2 ASP A 52 1.945 -17.120 -16.109 1.00 15.96 O ATOM 0 H ASP A 52 4.233 -18.728 -13.347 1.00 17.11 H new ATOM 0 HA ASP A 52 1.555 -19.174 -13.691 1.00 17.32 H new ATOM 0 HB2 ASP A 52 3.913 -19.525 -15.592 1.00 17.56 H new ATOM 0 HB3 ASP A 52 2.249 -19.592 -16.137 1.00 17.56 H new ATOM 840 N GLY A 53 3.228 -21.994 -13.973 1.00 19.52 N ATOM 841 CA GLY A 53 3.058 -23.441 -14.053 1.00 20.72 C ATOM 842 C GLY A 53 2.591 -24.087 -12.756 1.00 20.81 C ATOM 843 O GLY A 53 2.477 -25.311 -12.681 1.00 21.79 O ATOM 0 H GLY A 53 4.191 -21.684 -13.844 1.00 19.52 H new ATOM 0 HA2 GLY A 53 2.338 -23.668 -14.839 1.00 20.72 H new ATOM 0 HA3 GLY A 53 4.005 -23.891 -14.349 1.00 20.72 H new ATOM 847 N ARG A 54 2.324 -23.276 -11.737 1.00 19.86 N ATOM 848 CA ARG A 54 1.861 -23.788 -10.446 1.00 20.02 C ATOM 849 C ARG A 54 0.362 -23.561 -10.277 1.00 19.36 C ATOM 850 O ARG A 54 -0.272 -22.919 -11.112 1.00 18.53 O ATOM 851 CB ARG A 54 2.631 -23.127 -9.296 1.00 19.57 C ATOM 852 CG ARG A 54 4.089 -23.553 -9.203 1.00 20.34 C ATOM 853 CD ARG A 54 4.231 -25.027 -8.856 1.00 21.73 C ATOM 854 NE ARG A 54 3.976 -25.891 -10.007 1.00 22.50 N ATOM 855 CZ ARG A 54 3.881 -27.215 -9.932 1.00 23.45 C ATOM 856 NH1 ARG A 54 4.021 -27.829 -8.762 1.00 23.75 N ATOM 857 NH2 ARG A 54 3.645 -27.926 -11.026 1.00 24.16 N ATOM 0 H ARG A 54 2.419 -22.261 -11.777 1.00 19.86 H new ATOM 0 HA ARG A 54 2.051 -24.861 -10.421 1.00 20.02 H new ATOM 0 HB2 ARG A 54 2.586 -22.045 -9.417 1.00 19.57 H new ATOM 0 HB3 ARG A 54 2.133 -23.363 -8.356 1.00 19.57 H new ATOM 0 HG2 ARG A 54 4.586 -23.355 -10.153 1.00 20.34 H new ATOM 0 HG3 ARG A 54 4.595 -22.952 -8.447 1.00 20.34 H new ATOM 0 HD2 ARG A 54 5.236 -25.215 -8.478 1.00 21.73 H new ATOM 0 HD3 ARG A 54 3.537 -25.278 -8.054 1.00 21.73 H new ATOM 0 HE ARG A 54 3.864 -25.453 -10.921 1.00 22.50 H new ATOM 0 HH11 ARG A 54 4.202 -27.284 -7.919 1.00 23.75 H new ATOM 0 HH12 ARG A 54 3.948 -28.845 -8.707 1.00 23.75 H new ATOM 0 HH21 ARG A 54 3.536 -27.457 -11.925 1.00 24.16 H new ATOM 0 HH22 ARG A 54 3.572 -28.942 -10.968 1.00 24.16 H new ATOM 871 N THR A 55 -0.202 -24.100 -9.194 1.00 19.79 N ATOM 872 CA THR A 55 -1.632 -23.963 -8.916 1.00 19.31 C ATOM 873 C THR A 55 -1.880 -23.236 -7.599 1.00 18.56 C ATOM 874 O THR A 55 -0.988 -23.130 -6.759 1.00 18.57 O ATOM 875 CB THR A 55 -2.327 -25.339 -8.856 1.00 20.43 C ATOM 876 OG1 THR A 55 -1.719 -26.152 -7.845 1.00 21.36 O ATOM 877 CG2 THR A 55 -2.248 -26.047 -10.200 1.00 21.11 C ATOM 0 H THR A 55 0.311 -24.636 -8.494 1.00 19.79 H new ATOM 0 HA THR A 55 -2.051 -23.378 -9.735 1.00 19.31 H new ATOM 0 HB THR A 55 -3.377 -25.179 -8.610 1.00 20.43 H new ATOM 0 HG1 THR A 55 -2.167 -27.023 -7.812 1.00 21.36 H new ATOM 0 HG21 THR A 55 -2.745 -27.015 -10.131 1.00 21.11 H new ATOM 0 HG22 THR A 55 -2.739 -25.440 -10.960 1.00 21.11 H new ATOM 0 HG23 THR A 55 -1.203 -26.195 -10.473 1.00 21.11 H new ATOM 885 N LEU A 56 -3.095 -22.713 -7.440 1.00 17.96 N ATOM 886 CA LEU A 56 -3.479 -22.007 -6.220 1.00 17.35 C ATOM 887 C LEU A 56 -3.179 -22.843 -4.973 1.00 18.41 C ATOM 888 O LEU A 56 -2.821 -22.302 -3.928 1.00 18.24 O ATOM 889 CB LEU A 56 -4.968 -21.641 -6.256 1.00 16.66 C ATOM 890 CG LEU A 56 -5.361 -20.530 -7.242 1.00 15.55 C ATOM 891 CD1 LEU A 56 -4.590 -19.250 -6.954 1.00 14.99 C ATOM 892 CD2 LEU A 56 -5.137 -20.977 -8.679 1.00 14.57 C ATOM 0 H LEU A 56 -3.832 -22.766 -8.143 1.00 17.96 H new ATOM 0 HA LEU A 56 -2.887 -21.093 -6.169 1.00 17.35 H new ATOM 0 HB2 LEU A 56 -5.537 -22.537 -6.503 1.00 16.66 H new ATOM 0 HB3 LEU A 56 -5.272 -21.336 -5.255 1.00 16.66 H new ATOM 0 HG LEU A 56 -6.423 -20.325 -7.109 1.00 15.55 H new ATOM 0 HD11 LEU A 56 -4.886 -18.479 -7.665 1.00 14.99 H new ATOM 0 HD12 LEU A 56 -4.810 -18.913 -5.941 1.00 14.99 H new ATOM 0 HD13 LEU A 56 -3.521 -19.440 -7.049 1.00 14.99 H new ATOM 0 HD21 LEU A 56 -5.422 -20.174 -9.359 1.00 14.57 H new ATOM 0 HD22 LEU A 56 -4.084 -21.219 -8.825 1.00 14.57 H new ATOM 0 HD23 LEU A 56 -5.744 -21.859 -8.885 1.00 14.57 H new ATOM 904 N SER A 57 -3.317 -24.163 -5.095 1.00 19.54 N ATOM 905 CA SER A 57 -3.069 -25.072 -3.974 1.00 20.67 C ATOM 906 C SER A 57 -1.585 -25.124 -3.620 1.00 21.10 C ATOM 907 O SER A 57 -1.220 -25.430 -2.483 1.00 21.74 O ATOM 908 CB SER A 57 -3.570 -26.478 -4.308 1.00 21.76 C ATOM 909 OG SER A 57 -4.977 -26.495 -4.469 1.00 21.61 O ATOM 0 H SER A 57 -3.599 -24.628 -5.958 1.00 19.54 H new ATOM 0 HA SER A 57 -3.614 -24.690 -3.111 1.00 20.67 H new ATOM 0 HB2 SER A 57 -3.092 -26.830 -5.223 1.00 21.76 H new ATOM 0 HB3 SER A 57 -3.284 -27.167 -3.514 1.00 21.76 H new ATOM 0 HG SER A 57 -5.248 -25.760 -5.058 1.00 21.61 H new ATOM 915 N ASP A 58 -0.735 -24.819 -4.597 1.00 20.79 N ATOM 916 CA ASP A 58 0.712 -24.835 -4.393 1.00 21.19 C ATOM 917 C ASP A 58 1.130 -23.805 -3.347 1.00 20.53 C ATOM 918 O ASP A 58 2.015 -24.062 -2.531 1.00 21.09 O ATOM 919 CB ASP A 58 1.440 -24.562 -5.713 1.00 20.98 C ATOM 920 CG ASP A 58 2.949 -24.565 -5.555 1.00 22.06 C ATOM 921 OD1 ASP A 58 3.540 -25.664 -5.517 1.00 21.87 O ATOM 922 OD2 ASP A 58 3.539 -23.466 -5.470 1.00 23.14 O ATOM 0 H ASP A 58 -1.023 -24.557 -5.540 1.00 20.79 H new ATOM 0 HA ASP A 58 0.988 -25.825 -4.031 1.00 21.19 H new ATOM 0 HB2 ASP A 58 1.153 -25.317 -6.445 1.00 20.98 H new ATOM 0 HB3 ASP A 58 1.121 -23.597 -6.107 1.00 20.98 H new ATOM 927 N TYR A 59 0.486 -22.640 -3.378 1.00 19.37 N ATOM 928 CA TYR A 59 0.794 -21.567 -2.437 1.00 18.69 C ATOM 929 C TYR A 59 -0.235 -21.506 -1.309 1.00 18.82 C ATOM 930 O TYR A 59 -0.262 -20.546 -0.536 1.00 18.30 O ATOM 931 CB TYR A 59 0.859 -20.227 -3.172 1.00 17.29 C ATOM 932 CG TYR A 59 1.996 -20.144 -4.169 1.00 17.19 C ATOM 933 CD1 TYR A 59 1.845 -20.620 -5.466 1.00 17.17 C ATOM 934 CD2 TYR A 59 3.222 -19.597 -3.810 1.00 17.22 C ATOM 935 CE1 TYR A 59 2.882 -20.550 -6.376 1.00 17.26 C ATOM 936 CE2 TYR A 59 4.262 -19.523 -4.715 1.00 17.25 C ATOM 937 CZ TYR A 59 4.089 -20.001 -5.996 1.00 17.30 C ATOM 938 OH TYR A 59 5.124 -19.932 -6.899 1.00 17.49 O ATOM 0 H TYR A 59 -0.252 -22.416 -4.045 1.00 19.37 H new ATOM 0 HA TYR A 59 1.766 -21.776 -1.990 1.00 18.69 H new ATOM 0 HB2 TYR A 59 -0.084 -20.060 -3.692 1.00 17.29 H new ATOM 0 HB3 TYR A 59 0.966 -19.425 -2.442 1.00 17.29 H new ATOM 0 HD1 TYR A 59 0.902 -21.052 -5.767 1.00 17.17 H new ATOM 0 HD2 TYR A 59 3.364 -19.224 -2.807 1.00 17.22 H new ATOM 0 HE1 TYR A 59 2.748 -20.923 -7.381 1.00 17.26 H new ATOM 0 HE2 TYR A 59 5.207 -19.092 -4.420 1.00 17.25 H new ATOM 0 HH TYR A 59 5.362 -18.994 -7.053 1.00 17.49 H new ATOM 948 N ASN A 60 -1.075 -22.536 -1.215 1.00 19.61 N ATOM 949 CA ASN A 60 -2.100 -22.607 -0.174 1.00 19.94 C ATOM 950 C ASN A 60 -3.010 -21.379 -0.210 1.00 18.78 C ATOM 951 O ASN A 60 -3.248 -20.739 0.815 1.00 18.73 O ATOM 952 CB ASN A 60 -1.449 -22.743 1.208 1.00 20.73 C ATOM 953 CG ASN A 60 -0.568 -23.975 1.320 1.00 21.53 C ATOM 954 OD1 ASN A 60 0.030 -24.419 0.340 1.00 21.59 O ATOM 955 ND2 ASN A 60 -0.487 -24.534 2.523 1.00 22.24 N ATOM 0 H ASN A 60 -1.066 -23.335 -1.849 1.00 19.61 H new ATOM 0 HA ASN A 60 -2.712 -23.488 -0.366 1.00 19.94 H new ATOM 0 HB2 ASN A 60 -0.852 -21.854 1.413 1.00 20.73 H new ATOM 0 HB3 ASN A 60 -2.228 -22.787 1.970 1.00 20.73 H new ATOM 0 HD21 ASN A 60 0.088 -25.365 2.662 1.00 22.24 H new ATOM 0 HD22 ASN A 60 -1.000 -24.132 3.308 1.00 22.24 H new ATOM 962 N ILE A 61 -3.509 -21.056 -1.399 1.00 17.93 N ATOM 963 CA ILE A 61 -4.397 -19.912 -1.580 1.00 16.80 C ATOM 964 C ILE A 61 -5.861 -20.333 -1.452 1.00 17.14 C ATOM 965 O ILE A 61 -6.402 -21.007 -2.331 1.00 17.46 O ATOM 966 CB ILE A 61 -4.174 -19.243 -2.953 1.00 15.70 C ATOM 967 CG1 ILE A 61 -2.716 -18.793 -3.093 1.00 15.44 C ATOM 968 CG2 ILE A 61 -5.120 -18.061 -3.132 1.00 14.52 C ATOM 969 CD1 ILE A 61 -2.361 -18.291 -4.476 1.00 14.60 C ATOM 0 H ILE A 61 -3.312 -21.573 -2.256 1.00 17.93 H new ATOM 0 HA ILE A 61 -4.162 -19.192 -0.796 1.00 16.80 H new ATOM 0 HB ILE A 61 -4.388 -19.972 -3.734 1.00 15.70 H new ATOM 0 HG12 ILE A 61 -2.518 -18.003 -2.368 1.00 15.44 H new ATOM 0 HG13 ILE A 61 -2.062 -19.628 -2.841 1.00 15.44 H new ATOM 0 HG21 ILE A 61 -4.948 -17.602 -4.106 1.00 14.52 H new ATOM 0 HG22 ILE A 61 -6.151 -18.408 -3.071 1.00 14.52 H new ATOM 0 HG23 ILE A 61 -4.937 -17.327 -2.347 1.00 14.52 H new ATOM 0 HD11 ILE A 61 -1.313 -17.991 -4.496 1.00 14.60 H new ATOM 0 HD12 ILE A 61 -2.525 -19.085 -5.205 1.00 14.60 H new ATOM 0 HD13 ILE A 61 -2.988 -17.435 -4.725 1.00 14.60 H new ATOM 981 N GLN A 62 -6.493 -19.935 -0.349 1.00 17.17 N ATOM 982 CA GLN A 62 -7.895 -20.266 -0.099 1.00 17.56 C ATOM 983 C GLN A 62 -8.816 -19.157 -0.607 1.00 16.44 C ATOM 984 O GLN A 62 -8.354 -18.169 -1.178 1.00 15.35 O ATOM 985 CB GLN A 62 -8.131 -20.494 1.398 1.00 18.57 C ATOM 986 CG GLN A 62 -7.398 -21.705 1.959 1.00 19.77 C ATOM 987 CD GLN A 62 -5.896 -21.503 2.032 1.00 20.75 C ATOM 988 OE1 GLN A 62 -5.416 -20.386 2.230 1.00 21.49 O ATOM 989 NE2 GLN A 62 -5.145 -22.586 1.869 1.00 20.83 N ATOM 0 H GLN A 62 -6.055 -19.382 0.387 1.00 17.17 H new ATOM 0 HA GLN A 62 -8.126 -21.184 -0.640 1.00 17.56 H new ATOM 0 HB2 GLN A 62 -7.817 -19.605 1.945 1.00 18.57 H new ATOM 0 HB3 GLN A 62 -9.200 -20.615 1.573 1.00 18.57 H new ATOM 0 HG2 GLN A 62 -7.779 -21.924 2.956 1.00 19.77 H new ATOM 0 HG3 GLN A 62 -7.613 -22.574 1.337 1.00 19.77 H new ATOM 0 HE21 GLN A 62 -5.585 -23.492 1.707 1.00 20.83 H new ATOM 0 HE22 GLN A 62 -4.128 -22.512 1.906 1.00 20.83 H new ATOM 998 N LYS A 63 -10.121 -19.329 -0.396 1.00 16.74 N ATOM 999 CA LYS A 63 -11.106 -18.342 -0.831 1.00 15.83 C ATOM 1000 C LYS A 63 -10.931 -17.024 -0.083 1.00 15.40 C ATOM 1001 O LYS A 63 -10.335 -16.984 0.995 1.00 16.08 O ATOM 1002 CB LYS A 63 -12.530 -18.871 -0.625 1.00 16.42 C ATOM 1003 CG LYS A 63 -12.866 -19.188 0.825 1.00 17.58 C ATOM 1004 CD LYS A 63 -14.312 -19.636 0.977 1.00 18.15 C ATOM 1005 CE LYS A 63 -14.652 -19.959 2.425 1.00 19.19 C ATOM 1006 NZ LYS A 63 -16.087 -20.318 2.590 1.00 18.86 N ATOM 0 H LYS A 63 -10.519 -20.142 0.073 1.00 16.74 H new ATOM 0 HA LYS A 63 -10.945 -18.161 -1.894 1.00 15.83 H new ATOM 0 HB2 LYS A 63 -13.239 -18.132 -0.999 1.00 16.42 H new ATOM 0 HB3 LYS A 63 -12.663 -19.772 -1.224 1.00 16.42 H new ATOM 0 HG2 LYS A 63 -12.201 -19.970 1.191 1.00 17.58 H new ATOM 0 HG3 LYS A 63 -12.690 -18.306 1.441 1.00 17.58 H new ATOM 0 HD2 LYS A 63 -14.976 -18.852 0.613 1.00 18.15 H new ATOM 0 HD3 LYS A 63 -14.488 -20.515 0.357 1.00 18.15 H new ATOM 0 HE2 LYS A 63 -14.029 -20.785 2.769 1.00 19.19 H new ATOM 0 HE3 LYS A 63 -14.418 -19.100 3.054 1.00 19.19 H new ATOM 0 HZ1 LYS A 63 -16.279 -20.531 3.590 1.00 18.86 H new ATOM 0 HZ2 LYS A 63 -16.682 -19.521 2.286 1.00 18.86 H new ATOM 0 HZ3 LYS A 63 -16.305 -21.153 2.010 1.00 18.86 H new ATOM 1020 N GLU A 64 -11.449 -15.947 -0.671 1.00 14.33 N ATOM 1021 CA GLU A 64 -11.371 -14.618 -0.069 1.00 13.93 C ATOM 1022 C GLU A 64 -9.921 -14.187 0.152 1.00 13.56 C ATOM 1023 O GLU A 64 -9.626 -13.410 1.061 1.00 13.53 O ATOM 1024 CB GLU A 64 -12.140 -14.592 1.255 1.00 14.98 C ATOM 1025 CG GLU A 64 -13.601 -14.991 1.112 1.00 15.11 C ATOM 1026 CD GLU A 64 -14.291 -15.174 2.450 1.00 15.97 C ATOM 1027 OE1 GLU A 64 -14.757 -14.167 3.022 1.00 16.92 O ATOM 1028 OE2 GLU A 64 -14.366 -16.327 2.925 1.00 15.76 O ATOM 0 H GLU A 64 -11.930 -15.970 -1.570 1.00 14.33 H new ATOM 0 HA GLU A 64 -11.827 -13.910 -0.761 1.00 13.93 H new ATOM 0 HB2 GLU A 64 -11.655 -15.265 1.962 1.00 14.98 H new ATOM 0 HB3 GLU A 64 -12.084 -13.590 1.679 1.00 14.98 H new ATOM 0 HG2 GLU A 64 -14.127 -14.228 0.538 1.00 15.11 H new ATOM 0 HG3 GLU A 64 -13.666 -15.919 0.544 1.00 15.11 H new ATOM 1035 N SER A 65 -9.022 -14.686 -0.693 1.00 13.38 N ATOM 1036 CA SER A 65 -7.604 -14.352 -0.594 1.00 13.05 C ATOM 1037 C SER A 65 -7.282 -13.103 -1.410 1.00 11.65 C ATOM 1038 O SER A 65 -7.961 -12.802 -2.388 1.00 10.94 O ATOM 1039 CB SER A 65 -6.751 -15.527 -1.077 1.00 13.61 C ATOM 1040 OG SER A 65 -5.378 -15.178 -1.123 1.00 14.92 O ATOM 0 H SER A 65 -9.251 -15.324 -1.455 1.00 13.38 H new ATOM 0 HA SER A 65 -7.373 -14.149 0.452 1.00 13.05 H new ATOM 0 HB2 SER A 65 -6.890 -16.379 -0.412 1.00 13.61 H new ATOM 0 HB3 SER A 65 -7.083 -15.838 -2.067 1.00 13.61 H new ATOM 0 HG SER A 65 -4.869 -15.775 -0.536 1.00 14.92 H new ATOM 1046 N THR A 66 -6.239 -12.384 -1.002 1.00 11.29 N ATOM 1047 CA THR A 66 -5.827 -11.165 -1.694 1.00 9.99 C ATOM 1048 C THR A 66 -4.490 -11.362 -2.408 1.00 9.57 C ATOM 1049 O THR A 66 -3.503 -11.777 -1.800 1.00 10.12 O ATOM 1050 CB THR A 66 -5.715 -9.972 -0.720 1.00 9.92 C ATOM 1051 OG1 THR A 66 -5.232 -8.814 -1.413 1.00 10.85 O ATOM 1052 CG2 THR A 66 -4.786 -10.295 0.444 1.00 8.71 C ATOM 0 H THR A 66 -5.663 -12.625 -0.195 1.00 11.29 H new ATOM 0 HA THR A 66 -6.598 -10.944 -2.432 1.00 9.99 H new ATOM 0 HB THR A 66 -6.709 -9.771 -0.321 1.00 9.92 H new ATOM 0 HG1 THR A 66 -5.166 -8.062 -0.788 1.00 10.85 H new ATOM 0 HG21 THR A 66 -4.728 -9.436 1.112 1.00 8.71 H new ATOM 0 HG22 THR A 66 -5.173 -11.154 0.991 1.00 8.71 H new ATOM 0 HG23 THR A 66 -3.791 -10.526 0.062 1.00 8.71 H new ATOM 1060 N LEU A 67 -4.474 -11.065 -3.708 1.00 8.72 N ATOM 1061 CA LEU A 67 -3.269 -11.200 -4.523 1.00 8.45 C ATOM 1062 C LEU A 67 -2.812 -9.835 -5.026 1.00 7.19 C ATOM 1063 O LEU A 67 -3.585 -9.104 -5.645 1.00 6.40 O ATOM 1064 CB LEU A 67 -3.526 -12.134 -5.711 1.00 8.71 C ATOM 1065 CG LEU A 67 -3.795 -13.600 -5.351 1.00 9.84 C ATOM 1066 CD1 LEU A 67 -5.172 -13.764 -4.719 1.00 10.06 C ATOM 1067 CD2 LEU A 67 -3.664 -14.481 -6.587 1.00 10.94 C ATOM 0 H LEU A 67 -5.289 -10.727 -4.221 1.00 8.72 H new ATOM 0 HA LEU A 67 -2.483 -11.629 -3.902 1.00 8.45 H new ATOM 0 HB2 LEU A 67 -4.379 -11.753 -6.272 1.00 8.71 H new ATOM 0 HB3 LEU A 67 -2.663 -12.094 -6.376 1.00 8.71 H new ATOM 0 HG LEU A 67 -3.051 -13.913 -4.619 1.00 9.84 H new ATOM 0 HD11 LEU A 67 -5.337 -14.813 -4.473 1.00 10.06 H new ATOM 0 HD12 LEU A 67 -5.229 -13.165 -3.810 1.00 10.06 H new ATOM 0 HD13 LEU A 67 -5.937 -13.431 -5.421 1.00 10.06 H new ATOM 0 HD21 LEU A 67 -3.858 -15.519 -6.316 1.00 10.94 H new ATOM 0 HD22 LEU A 67 -4.385 -14.162 -7.339 1.00 10.94 H new ATOM 0 HD23 LEU A 67 -2.655 -14.394 -6.991 1.00 10.94 H new ATOM 1079 N HIS A 68 -1.552 -9.495 -4.760 1.00 7.09 N ATOM 1080 CA HIS A 68 -1.005 -8.208 -5.181 1.00 5.99 C ATOM 1081 C HIS A 68 -0.481 -8.262 -6.614 1.00 5.70 C ATOM 1082 O HIS A 68 0.478 -8.975 -6.911 1.00 6.53 O ATOM 1083 CB HIS A 68 0.110 -7.763 -4.231 1.00 6.18 C ATOM 1084 CG HIS A 68 0.583 -6.365 -4.482 1.00 6.68 C ATOM 1085 ND1 HIS A 68 1.168 -5.968 -5.667 1.00 6.45 N ATOM 1086 CD2 HIS A 68 0.550 -5.263 -3.695 1.00 7.71 C ATOM 1087 CE1 HIS A 68 1.473 -4.685 -5.598 1.00 7.36 C ATOM 1088 NE2 HIS A 68 1.109 -4.233 -4.412 1.00 8.09 N ATOM 0 H HIS A 68 -0.894 -10.090 -4.257 1.00 7.09 H new ATOM 0 HA HIS A 68 -1.816 -7.480 -5.146 1.00 5.99 H new ATOM 0 HB2 HIS A 68 -0.246 -7.839 -3.204 1.00 6.18 H new ATOM 0 HB3 HIS A 68 0.953 -8.447 -4.327 1.00 6.18 H new ATOM 0 HD2 HIS A 68 0.157 -5.205 -2.691 1.00 7.71 H new ATOM 0 HE1 HIS A 68 1.941 -4.104 -6.379 1.00 7.36 H new ATOM 0 HE2 HIS A 68 1.224 -3.275 -4.082 1.00 8.09 H new ATOM 1097 N LEU A 69 -1.118 -7.493 -7.496 1.00 4.81 N ATOM 1098 CA LEU A 69 -0.724 -7.437 -8.900 1.00 4.96 C ATOM 1099 C LEU A 69 0.237 -6.273 -9.143 1.00 4.58 C ATOM 1100 O LEU A 69 -0.172 -5.111 -9.155 1.00 3.90 O ATOM 1101 CB LEU A 69 -1.962 -7.299 -9.793 1.00 4.80 C ATOM 1102 CG LEU A 69 -1.679 -7.087 -11.286 1.00 5.50 C ATOM 1103 CD1 LEU A 69 -0.823 -8.217 -11.841 1.00 6.70 C ATOM 1104 CD2 LEU A 69 -2.985 -6.974 -12.063 1.00 5.42 C ATOM 0 H LEU A 69 -1.912 -6.898 -7.260 1.00 4.81 H new ATOM 0 HA LEU A 69 -0.211 -8.365 -9.152 1.00 4.96 H new ATOM 0 HB2 LEU A 69 -2.572 -8.196 -9.680 1.00 4.80 H new ATOM 0 HB3 LEU A 69 -2.558 -6.461 -9.431 1.00 4.80 H new ATOM 0 HG LEU A 69 -1.125 -6.155 -11.400 1.00 5.50 H new ATOM 0 HD11 LEU A 69 -0.636 -8.045 -12.901 1.00 6.70 H new ATOM 0 HD12 LEU A 69 0.126 -8.251 -11.306 1.00 6.70 H new ATOM 0 HD13 LEU A 69 -1.346 -9.165 -11.714 1.00 6.70 H new ATOM 0 HD21 LEU A 69 -2.767 -6.824 -13.120 1.00 5.42 H new ATOM 0 HD22 LEU A 69 -3.563 -7.890 -11.938 1.00 5.42 H new ATOM 0 HD23 LEU A 69 -3.560 -6.128 -11.687 1.00 5.42 H new ATOM 1116 N VAL A 70 1.516 -6.597 -9.329 1.00 5.29 N ATOM 1117 CA VAL A 70 2.539 -5.582 -9.571 1.00 5.30 C ATOM 1118 C VAL A 70 2.617 -5.231 -11.054 1.00 6.23 C ATOM 1119 O VAL A 70 2.493 -6.103 -11.915 1.00 7.13 O ATOM 1120 CB VAL A 70 3.927 -6.051 -9.084 1.00 5.71 C ATOM 1121 CG1 VAL A 70 4.968 -4.958 -9.285 1.00 5.73 C ATOM 1122 CG2 VAL A 70 3.868 -6.476 -7.622 1.00 5.32 C ATOM 0 H VAL A 70 1.868 -7.554 -9.317 1.00 5.29 H new ATOM 0 HA VAL A 70 2.251 -4.696 -9.005 1.00 5.30 H new ATOM 0 HB VAL A 70 4.223 -6.915 -9.680 1.00 5.71 H new ATOM 0 HG11 VAL A 70 5.938 -5.311 -8.935 1.00 5.73 H new ATOM 0 HG12 VAL A 70 5.033 -4.708 -10.344 1.00 5.73 H new ATOM 0 HG13 VAL A 70 4.679 -4.072 -8.720 1.00 5.73 H new ATOM 0 HG21 VAL A 70 4.856 -6.803 -7.298 1.00 5.32 H new ATOM 0 HG22 VAL A 70 3.546 -5.633 -7.011 1.00 5.32 H new ATOM 0 HG23 VAL A 70 3.159 -7.297 -7.510 1.00 5.32 H new ATOM 1132 N LEU A 71 2.822 -3.947 -11.342 1.00 6.27 N ATOM 1133 CA LEU A 71 2.917 -3.473 -12.720 1.00 7.40 C ATOM 1134 C LEU A 71 4.172 -2.630 -12.923 1.00 8.31 C ATOM 1135 O LEU A 71 4.561 -1.855 -12.048 1.00 8.22 O ATOM 1136 CB LEU A 71 1.673 -2.658 -13.092 1.00 7.48 C ATOM 1137 CG LEU A 71 0.349 -3.428 -13.040 1.00 7.46 C ATOM 1138 CD1 LEU A 71 -0.827 -2.481 -13.233 1.00 6.63 C ATOM 1139 CD2 LEU A 71 0.326 -4.530 -14.093 1.00 8.16 C ATOM 0 H LEU A 71 2.926 -3.216 -10.638 1.00 6.27 H new ATOM 0 HA LEU A 71 2.979 -4.345 -13.372 1.00 7.40 H new ATOM 0 HB2 LEU A 71 1.604 -1.803 -12.420 1.00 7.48 H new ATOM 0 HB3 LEU A 71 1.805 -2.262 -14.099 1.00 7.48 H new ATOM 0 HG LEU A 71 0.261 -3.892 -12.057 1.00 7.46 H new ATOM 0 HD11 LEU A 71 -1.759 -3.045 -13.193 1.00 6.63 H new ATOM 0 HD12 LEU A 71 -0.823 -1.730 -12.443 1.00 6.63 H new ATOM 0 HD13 LEU A 71 -0.742 -1.988 -14.202 1.00 6.63 H new ATOM 0 HD21 LEU A 71 -0.622 -5.065 -14.039 1.00 8.16 H new ATOM 0 HD22 LEU A 71 0.439 -4.089 -15.084 1.00 8.16 H new ATOM 0 HD23 LEU A 71 1.145 -5.225 -13.910 1.00 8.16 H new ATOM 1151 N ARG A 72 4.800 -2.796 -14.087 1.00 9.27 N ATOM 1152 CA ARG A 72 6.014 -2.058 -14.430 1.00 10.25 C ATOM 1153 C ARG A 72 7.140 -2.373 -13.450 1.00 11.32 C ATOM 1154 O ARG A 72 7.236 -1.771 -12.380 1.00 12.10 O ATOM 1155 CB ARG A 72 5.743 -0.549 -14.454 1.00 10.86 C ATOM 1156 CG ARG A 72 4.499 -0.155 -15.240 1.00 11.89 C ATOM 1157 CD ARG A 72 4.617 -0.526 -16.712 1.00 12.56 C ATOM 1158 NE ARG A 72 4.553 -1.970 -16.922 1.00 13.15 N ATOM 1159 CZ ARG A 72 4.670 -2.550 -18.112 1.00 13.62 C ATOM 1160 NH1 ARG A 72 4.843 -1.811 -19.200 1.00 13.61 N ATOM 1161 NH2 ARG A 72 4.610 -3.871 -18.216 1.00 14.22 N ATOM 0 H ARG A 72 4.485 -3.440 -14.812 1.00 9.27 H new ATOM 0 HA ARG A 72 6.325 -2.373 -15.426 1.00 10.25 H new ATOM 0 HB2 ARG A 72 5.641 -0.192 -13.429 1.00 10.86 H new ATOM 0 HB3 ARG A 72 6.607 -0.042 -14.883 1.00 10.86 H new ATOM 0 HG2 ARG A 72 3.627 -0.647 -14.810 1.00 11.89 H new ATOM 0 HG3 ARG A 72 4.336 0.919 -15.148 1.00 11.89 H new ATOM 0 HD2 ARG A 72 3.817 -0.043 -17.272 1.00 12.56 H new ATOM 0 HD3 ARG A 72 5.558 -0.144 -17.107 1.00 12.56 H new ATOM 0 HE ARG A 72 4.410 -2.568 -16.108 1.00 13.15 H new ATOM 0 HH11 ARG A 72 4.887 -0.795 -19.125 1.00 13.61 H new ATOM 0 HH12 ARG A 72 4.932 -2.259 -20.112 1.00 13.61 H new ATOM 0 HH21 ARG A 72 4.474 -4.443 -17.382 1.00 14.22 H new ATOM 0 HH22 ARG A 72 4.700 -4.315 -19.130 1.00 14.22 H new ATOM 1175 N LEU A 73 7.989 -3.328 -13.820 1.00 11.45 N ATOM 1176 CA LEU A 73 9.111 -3.728 -12.978 1.00 12.57 C ATOM 1177 C LEU A 73 10.173 -2.631 -12.924 1.00 13.68 C ATOM 1178 O LEU A 73 10.905 -2.514 -11.941 1.00 13.63 O ATOM 1179 CB LEU A 73 9.727 -5.033 -13.492 1.00 12.50 C ATOM 1180 CG LEU A 73 8.928 -6.306 -13.180 1.00 12.30 C ATOM 1181 CD1 LEU A 73 8.923 -6.583 -11.682 1.00 11.49 C ATOM 1182 CD2 LEU A 73 7.503 -6.193 -13.708 1.00 12.81 C ATOM 0 H LEU A 73 7.920 -3.840 -14.700 1.00 11.45 H new ATOM 0 HA LEU A 73 8.733 -3.890 -11.968 1.00 12.57 H new ATOM 0 HB2 LEU A 73 9.849 -4.957 -14.572 1.00 12.50 H new ATOM 0 HB3 LEU A 73 10.725 -5.137 -13.065 1.00 12.50 H new ATOM 0 HG LEU A 73 9.413 -7.143 -13.683 1.00 12.30 H new ATOM 0 HD11 LEU A 73 8.352 -7.489 -11.481 1.00 11.49 H new ATOM 0 HD12 LEU A 73 9.947 -6.715 -11.333 1.00 11.49 H new ATOM 0 HD13 LEU A 73 8.467 -5.743 -11.158 1.00 11.49 H new ATOM 0 HD21 LEU A 73 6.955 -7.106 -13.476 1.00 12.81 H new ATOM 0 HD22 LEU A 73 7.007 -5.343 -13.239 1.00 12.81 H new ATOM 0 HD23 LEU A 73 7.526 -6.048 -14.788 1.00 12.81 H new ATOM 1194 N ARG A 74 10.247 -1.830 -13.987 1.00 14.71 N ATOM 1195 CA ARG A 74 11.214 -0.739 -14.058 1.00 15.86 C ATOM 1196 C ARG A 74 10.929 0.288 -12.967 1.00 16.72 C ATOM 1197 O ARG A 74 9.906 0.974 -12.998 1.00 17.60 O ATOM 1198 CB ARG A 74 11.165 -0.077 -15.442 1.00 16.64 C ATOM 1199 CG ARG A 74 12.370 0.802 -15.757 1.00 16.74 C ATOM 1200 CD ARG A 74 12.378 2.084 -14.935 1.00 17.43 C ATOM 1201 NE ARG A 74 11.142 2.846 -15.096 1.00 18.56 N ATOM 1202 CZ ARG A 74 10.717 3.761 -14.228 1.00 18.96 C ATOM 1203 NH1 ARG A 74 11.418 4.019 -13.132 1.00 18.35 N ATOM 1204 NH2 ARG A 74 9.588 4.416 -14.456 1.00 20.03 N ATOM 0 H ARG A 74 9.649 -1.917 -14.809 1.00 14.71 H new ATOM 0 HA ARG A 74 12.214 -1.144 -13.902 1.00 15.86 H new ATOM 0 HB2 ARG A 74 11.088 -0.855 -16.202 1.00 16.64 H new ATOM 0 HB3 ARG A 74 10.260 0.527 -15.512 1.00 16.64 H new ATOM 0 HG2 ARG A 74 13.286 0.243 -15.564 1.00 16.74 H new ATOM 0 HG3 ARG A 74 12.367 1.053 -16.818 1.00 16.74 H new ATOM 0 HD2 ARG A 74 12.518 1.839 -13.882 1.00 17.43 H new ATOM 0 HD3 ARG A 74 13.226 2.701 -15.234 1.00 17.43 H new ATOM 0 HE ARG A 74 10.571 2.666 -15.922 1.00 18.56 H new ATOM 0 HH11 ARG A 74 12.286 3.515 -12.952 1.00 18.35 H new ATOM 0 HH12 ARG A 74 11.089 4.721 -12.469 1.00 18.35 H new ATOM 0 HH21 ARG A 74 9.045 4.219 -15.297 1.00 20.03 H new ATOM 0 HH22 ARG A 74 9.262 5.117 -13.791 1.00 20.03 H new ATOM 1218 N GLY A 75 11.838 0.384 -12.000 1.00 16.49 N ATOM 1219 CA GLY A 75 11.665 1.320 -10.906 1.00 17.34 C ATOM 1220 C GLY A 75 10.496 0.945 -10.018 1.00 16.75 C ATOM 1221 O GLY A 75 10.580 -0.008 -9.245 1.00 16.31 O ATOM 0 H GLY A 75 12.692 -0.172 -11.956 1.00 16.49 H new ATOM 0 HA2 GLY A 75 12.577 1.354 -10.310 1.00 17.34 H new ATOM 0 HA3 GLY A 75 11.509 2.322 -11.307 1.00 17.34 H new ATOM 1225 N GLY A 76 9.403 1.694 -10.137 1.00 16.82 N ATOM 1226 CA GLY A 76 8.221 1.424 -9.338 1.00 16.39 C ATOM 1227 C GLY A 76 7.485 0.176 -9.789 1.00 16.87 C ATOM 1228 O GLY A 76 7.769 -0.912 -9.245 1.00 16.60 O ATOM 1229 OXT GLY A 76 6.626 0.285 -10.690 1.00 17.60 O ATOM 0 H GLY A 76 9.315 2.485 -10.775 1.00 16.82 H new ATOM 0 HA2 GLY A 76 8.511 1.313 -8.293 1.00 16.39 H new ATOM 0 HA3 GLY A 76 7.547 2.279 -9.393 1.00 16.39 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 5 22.688 14.844 7.063 1.00 8.45 N ATOM 1235 CA ALA B 5 21.243 14.912 7.404 1.00 8.55 C ATOM 1236 C ALA B 5 20.394 14.286 6.304 1.00 8.21 C ATOM 1237 O ALA B 5 20.156 14.907 5.267 1.00 8.17 O ATOM 1238 CB ALA B 5 20.825 16.357 7.644 1.00 9.15 C ATOM 0 HA ALA B 5 21.081 14.344 8.320 1.00 8.55 H new ATOM 0 HB1 ALA B 5 19.764 16.392 7.893 1.00 9.15 H new ATOM 0 HB2 ALA B 5 21.405 16.771 8.468 1.00 9.15 H new ATOM 0 HB3 ALA B 5 21.006 16.943 6.743 1.00 9.15 H new ATOM 1244 N LYS B 6 19.940 13.053 6.529 1.00 8.14 N ATOM 1245 CA LYS B 6 19.123 12.345 5.548 1.00 7.96 C ATOM 1246 C LYS B 6 17.683 12.204 6.034 1.00 7.52 C ATOM 1247 O LYS B 6 17.350 12.579 7.159 1.00 7.55 O ATOM 1248 CB LYS B 6 19.715 10.960 5.265 1.00 8.42 C ATOM 1249 CG LYS B 6 20.988 10.985 4.429 1.00 9.06 C ATOM 1250 CD LYS B 6 22.143 11.649 5.168 1.00 9.58 C ATOM 1251 CE LYS B 6 23.460 11.469 4.428 1.00 10.19 C ATOM 1252 NZ LYS B 6 23.840 10.034 4.307 1.00 10.58 N ATOM 0 H LYS B 6 20.125 12.525 7.382 1.00 8.14 H new ATOM 0 HA LYS B 6 19.120 12.929 4.628 1.00 7.96 H new ATOM 0 HB2 LYS B 6 19.926 10.467 6.214 1.00 8.42 H new ATOM 0 HB3 LYS B 6 18.968 10.356 4.751 1.00 8.42 H new ATOM 0 HG2 LYS B 6 21.267 9.966 4.162 1.00 9.06 H new ATOM 0 HG3 LYS B 6 20.799 11.518 3.497 1.00 9.06 H new ATOM 0 HD2 LYS B 6 21.935 12.712 5.288 1.00 9.58 H new ATOM 0 HD3 LYS B 6 22.227 11.225 6.169 1.00 9.58 H new ATOM 0 HE2 LYS B 6 23.380 11.908 3.434 1.00 10.19 H new ATOM 0 HE3 LYS B 6 24.248 12.010 4.953 1.00 10.19 H new ATOM 0 HZ1 LYS B 6 24.860 9.960 4.117 1.00 10.58 H new ATOM 0 HZ2 LYS B 6 23.617 9.540 5.194 1.00 10.58 H new ATOM 0 HZ3 LYS B 6 23.309 9.599 3.525 1.00 10.58 H new ATOM 1266 N GLU B 7 16.839 11.658 5.163 1.00 7.18 N ATOM 1267 CA GLU B 7 15.437 11.410 5.479 1.00 6.79 C ATOM 1268 C GLU B 7 15.253 9.931 5.797 1.00 6.27 C ATOM 1269 O GLU B 7 15.769 9.071 5.083 1.00 6.06 O ATOM 1270 CB GLU B 7 14.542 11.816 4.305 1.00 6.70 C ATOM 1271 CG GLU B 7 14.456 13.321 4.098 1.00 7.25 C ATOM 1272 CD GLU B 7 13.726 14.026 5.227 1.00 7.37 C ATOM 1273 OE1 GLU B 7 14.383 14.392 6.224 1.00 7.53 O ATOM 1274 OE2 GLU B 7 12.495 14.207 5.115 1.00 7.56 O ATOM 0 H GLU B 7 17.108 11.376 4.220 1.00 7.18 H new ATOM 0 HA GLU B 7 15.151 12.008 6.344 1.00 6.79 H new ATOM 0 HB2 GLU B 7 14.920 11.353 3.393 1.00 6.70 H new ATOM 0 HB3 GLU B 7 13.539 11.422 4.470 1.00 6.70 H new ATOM 0 HG2 GLU B 7 15.463 13.730 4.010 1.00 7.25 H new ATOM 0 HG3 GLU B 7 13.946 13.526 3.157 1.00 7.25 H new ATOM 1281 N TYR B 8 14.525 9.636 6.869 1.00 6.11 N ATOM 1282 CA TYR B 8 14.301 8.252 7.277 1.00 5.67 C ATOM 1283 C TYR B 8 12.825 7.965 7.528 1.00 5.23 C ATOM 1284 O TYR B 8 12.000 8.876 7.563 1.00 5.37 O ATOM 1285 CB TYR B 8 15.108 7.937 8.539 1.00 5.93 C ATOM 1286 CG TYR B 8 16.470 8.596 8.571 1.00 6.40 C ATOM 1287 CD1 TYR B 8 17.576 7.984 7.995 1.00 6.73 C ATOM 1288 CD2 TYR B 8 16.646 9.834 9.178 1.00 6.75 C ATOM 1289 CE1 TYR B 8 18.820 8.587 8.024 1.00 7.19 C ATOM 1290 CE2 TYR B 8 17.885 10.443 9.210 1.00 7.21 C ATOM 1291 CZ TYR B 8 18.968 9.816 8.633 1.00 7.34 C ATOM 1292 OH TYR B 8 20.204 10.420 8.667 1.00 7.84 O ATOM 0 H TYR B 8 14.082 10.332 7.469 1.00 6.11 H new ATOM 0 HA TYR B 8 14.633 7.613 6.458 1.00 5.67 H new ATOM 0 HB2 TYR B 8 14.539 8.256 9.412 1.00 5.93 H new ATOM 0 HB3 TYR B 8 15.235 6.857 8.618 1.00 5.93 H new ATOM 0 HD1 TYR B 8 17.463 7.022 7.517 1.00 6.73 H new ATOM 0 HD2 TYR B 8 15.800 10.328 9.632 1.00 6.75 H new ATOM 0 HE1 TYR B 8 19.671 8.099 7.572 1.00 7.19 H new ATOM 0 HE2 TYR B 8 18.005 11.406 9.685 1.00 7.21 H new ATOM 0 HH TYR B 8 20.135 11.280 9.131 1.00 7.84 H new ATOM 1302 N CYS B 9 12.511 6.685 7.682 1.00 4.73 N ATOM 1303 CA CYS B 9 11.143 6.247 7.945 1.00 4.31 C ATOM 1304 C CYS B 9 11.143 4.931 8.718 1.00 3.91 C ATOM 1305 O CYS B 9 12.036 4.102 8.543 1.00 3.80 O ATOM 1306 CB CYS B 9 10.367 6.098 6.633 1.00 4.13 C ATOM 1307 SG CYS B 9 11.235 5.150 5.360 1.00 4.61 S ATOM 0 H CYS B 9 13.190 5.926 7.629 1.00 4.73 H new ATOM 0 HA CYS B 9 10.649 7.004 8.554 1.00 4.31 H new ATOM 0 HB2 CYS B 9 9.412 5.615 6.842 1.00 4.13 H new ATOM 0 HB3 CYS B 9 10.143 7.090 6.242 1.00 4.13 H new ATOM 0 HG CYS B 9 12.508 5.135 5.622 1.00 4.61 H new ATOM 1313 N ARG B 10 10.135 4.744 9.573 1.00 3.77 N ATOM 1314 CA ARG B 10 10.031 3.531 10.381 1.00 3.48 C ATOM 1315 C ARG B 10 9.030 2.557 9.765 1.00 3.02 C ATOM 1316 O ARG B 10 7.986 2.966 9.258 1.00 3.04 O ATOM 1317 CB ARG B 10 9.619 3.883 11.813 1.00 3.74 C ATOM 1318 CG ARG B 10 9.604 2.693 12.761 1.00 3.64 C ATOM 1319 CD ARG B 10 9.456 3.139 14.207 1.00 3.85 C ATOM 1320 NE ARG B 10 10.558 4.007 14.624 1.00 3.92 N ATOM 1321 CZ ARG B 10 10.405 5.110 15.356 1.00 4.05 C ATOM 1322 NH1 ARG B 10 9.199 5.494 15.752 1.00 4.22 N ATOM 1323 NH2 ARG B 10 11.465 5.834 15.689 1.00 4.43 N ATOM 0 H ARG B 10 9.382 5.416 9.722 1.00 3.77 H new ATOM 0 HA ARG B 10 11.008 3.048 10.405 1.00 3.48 H new ATOM 0 HB2 ARG B 10 10.303 4.637 12.203 1.00 3.74 H new ATOM 0 HB3 ARG B 10 8.626 4.333 11.795 1.00 3.74 H new ATOM 0 HG2 ARG B 10 8.783 2.027 12.498 1.00 3.64 H new ATOM 0 HG3 ARG B 10 10.526 2.123 12.647 1.00 3.64 H new ATOM 0 HD2 ARG B 10 8.511 3.668 14.329 1.00 3.85 H new ATOM 0 HD3 ARG B 10 9.418 2.264 14.855 1.00 3.85 H new ATOM 0 HE ARG B 10 11.503 3.752 14.336 1.00 3.92 H new ATOM 0 HH11 ARG B 10 8.379 4.944 15.497 1.00 4.22 H new ATOM 0 HH12 ARG B 10 9.091 6.340 16.312 1.00 4.22 H new ATOM 0 HH21 ARG B 10 12.395 5.546 15.385 1.00 4.43 H new ATOM 0 HH22 ARG B 10 11.350 6.679 16.249 1.00 4.43 H new ATOM 1337 N THR B 11 9.353 1.263 9.822 1.00 2.72 N ATOM 1338 CA THR B 11 8.487 0.226 9.268 1.00 2.35 C ATOM 1339 C THR B 11 7.339 -0.117 10.214 1.00 2.40 C ATOM 1340 O THR B 11 7.566 -0.457 11.376 1.00 2.57 O ATOM 1341 CB THR B 11 9.283 -1.059 8.972 1.00 2.15 C ATOM 1342 OG1 THR B 11 9.948 -1.508 10.159 1.00 2.48 O ATOM 1343 CG2 THR B 11 10.306 -0.823 7.871 1.00 2.15 C ATOM 0 H THR B 11 10.210 0.910 10.248 1.00 2.72 H new ATOM 0 HA THR B 11 8.076 0.627 8.341 1.00 2.35 H new ATOM 0 HB THR B 11 8.582 -1.823 8.636 1.00 2.15 H new ATOM 0 HG1 THR B 11 10.150 -2.464 10.079 1.00 2.48 H new ATOM 0 HG21 THR B 11 10.855 -1.745 7.681 1.00 2.15 H new ATOM 0 HG22 THR B 11 9.795 -0.510 6.960 1.00 2.15 H new ATOM 0 HG23 THR B 11 11.002 -0.044 8.182 1.00 2.15 H new ATOM 1351 N LEU B 12 6.106 -0.022 9.716 1.00 2.42 N ATOM 1352 CA LEU B 12 4.931 -0.321 10.529 1.00 2.61 C ATOM 1353 C LEU B 12 4.503 -1.778 10.360 1.00 2.57 C ATOM 1354 O LEU B 12 3.812 -2.326 11.221 1.00 2.79 O ATOM 1355 CB LEU B 12 3.777 0.610 10.147 1.00 2.93 C ATOM 1356 CG LEU B 12 4.119 2.103 10.147 1.00 3.34 C ATOM 1357 CD1 LEU B 12 2.937 2.925 9.651 1.00 3.72 C ATOM 1358 CD2 LEU B 12 4.541 2.558 11.539 1.00 3.78 C ATOM 0 H LEU B 12 5.897 0.258 8.758 1.00 2.42 H new ATOM 0 HA LEU B 12 5.192 -0.160 11.575 1.00 2.61 H new ATOM 0 HB2 LEU B 12 3.422 0.335 9.154 1.00 2.93 H new ATOM 0 HB3 LEU B 12 2.951 0.442 10.839 1.00 2.93 H new ATOM 0 HG LEU B 12 4.956 2.261 9.467 1.00 3.34 H new ATOM 0 HD11 LEU B 12 3.201 3.983 9.659 1.00 3.72 H new ATOM 0 HD12 LEU B 12 2.684 2.622 8.635 1.00 3.72 H new ATOM 0 HD13 LEU B 12 2.080 2.760 10.304 1.00 3.72 H new ATOM 0 HD21 LEU B 12 4.780 3.621 11.517 1.00 3.78 H new ATOM 0 HD22 LEU B 12 3.726 2.383 12.242 1.00 3.78 H new ATOM 0 HD23 LEU B 12 5.419 1.995 11.855 1.00 3.78 H new ATOM 1370 N PHE B 13 4.908 -2.407 9.256 1.00 2.42 N ATOM 1371 CA PHE B 13 4.565 -3.806 8.999 1.00 2.54 C ATOM 1372 C PHE B 13 5.637 -4.480 8.144 1.00 2.25 C ATOM 1373 O PHE B 13 6.374 -3.810 7.419 1.00 1.97 O ATOM 1374 CB PHE B 13 3.208 -3.896 8.292 1.00 2.93 C ATOM 1375 CG PHE B 13 2.058 -3.394 9.120 1.00 3.43 C ATOM 1376 CD1 PHE B 13 1.386 -4.244 9.985 1.00 3.98 C ATOM 1377 CD2 PHE B 13 1.648 -2.073 9.033 1.00 3.89 C ATOM 1378 CE1 PHE B 13 0.329 -3.786 10.748 1.00 4.67 C ATOM 1379 CE2 PHE B 13 0.590 -1.609 9.793 1.00 4.60 C ATOM 1380 CZ PHE B 13 -0.070 -2.466 10.651 1.00 4.88 C ATOM 0 H PHE B 13 5.473 -1.971 8.527 1.00 2.42 H new ATOM 0 HA PHE B 13 4.508 -4.323 9.957 1.00 2.54 H new ATOM 0 HB2 PHE B 13 3.253 -3.324 7.365 1.00 2.93 H new ATOM 0 HB3 PHE B 13 3.020 -4.934 8.017 1.00 2.93 H new ATOM 0 HD1 PHE B 13 1.692 -5.277 10.063 1.00 3.98 H new ATOM 0 HD2 PHE B 13 2.161 -1.398 8.364 1.00 3.89 H new ATOM 0 HE1 PHE B 13 -0.185 -4.458 11.419 1.00 4.67 H new ATOM 0 HE2 PHE B 13 0.280 -0.577 9.715 1.00 4.60 H new ATOM 0 HZ PHE B 13 -0.897 -2.106 11.245 1.00 4.88 H new ATOM 1390 N PRO B 14 5.737 -5.822 8.217 1.00 2.42 N ATOM 1391 CA PRO B 14 6.729 -6.583 7.448 1.00 2.31 C ATOM 1392 C PRO B 14 6.390 -6.679 5.960 1.00 2.34 C ATOM 1393 O PRO B 14 5.232 -6.841 5.577 1.00 2.77 O ATOM 1394 CB PRO B 14 6.697 -7.965 8.103 1.00 2.76 C ATOM 1395 CG PRO B 14 5.316 -8.089 8.648 1.00 3.11 C ATOM 1396 CD PRO B 14 4.901 -6.701 9.061 1.00 2.88 C ATOM 0 HA PRO B 14 7.709 -6.105 7.470 1.00 2.31 H new ATOM 0 HB2 PRO B 14 6.910 -8.752 7.379 1.00 2.76 H new ATOM 0 HB3 PRO B 14 7.444 -8.047 8.893 1.00 2.76 H new ATOM 0 HG2 PRO B 14 4.636 -8.491 7.897 1.00 3.11 H new ATOM 0 HG3 PRO B 14 5.293 -8.771 9.498 1.00 3.11 H new ATOM 0 HD2 PRO B 14 3.838 -6.532 8.887 1.00 2.88 H new ATOM 0 HD3 PRO B 14 5.081 -6.528 10.122 1.00 2.88 H new ATOM 1404 N TYR B 15 7.425 -6.571 5.140 1.00 2.05 N ATOM 1405 CA TYR B 15 7.304 -6.646 3.687 1.00 2.18 C ATOM 1406 C TYR B 15 8.422 -7.512 3.113 1.00 2.20 C ATOM 1407 O TYR B 15 9.594 -7.291 3.413 1.00 2.06 O ATOM 1408 CB TYR B 15 7.371 -5.250 3.066 1.00 2.12 C ATOM 1409 CG TYR B 15 7.359 -5.272 1.552 1.00 2.49 C ATOM 1410 CD1 TYR B 15 6.230 -5.686 0.856 1.00 2.50 C ATOM 1411 CD2 TYR B 15 8.479 -4.894 0.821 1.00 3.05 C ATOM 1412 CE1 TYR B 15 6.216 -5.722 -0.526 1.00 2.98 C ATOM 1413 CE2 TYR B 15 8.473 -4.927 -0.561 1.00 3.52 C ATOM 1414 CZ TYR B 15 7.340 -5.342 -1.229 1.00 3.45 C ATOM 1415 OH TYR B 15 7.331 -5.378 -2.605 1.00 4.00 O ATOM 0 H TYR B 15 8.381 -6.428 5.465 1.00 2.05 H new ATOM 0 HA TYR B 15 6.339 -7.092 3.448 1.00 2.18 H new ATOM 0 HB2 TYR B 15 6.526 -4.660 3.422 1.00 2.12 H new ATOM 0 HB3 TYR B 15 8.276 -4.749 3.409 1.00 2.12 H new ATOM 0 HD1 TYR B 15 5.348 -5.985 1.404 1.00 2.50 H new ATOM 0 HD2 TYR B 15 9.368 -4.569 1.341 1.00 3.05 H new ATOM 0 HE1 TYR B 15 5.330 -6.046 -1.052 1.00 2.98 H new ATOM 0 HE2 TYR B 15 9.351 -4.629 -1.115 1.00 3.52 H new ATOM 0 HH TYR B 15 6.408 -5.459 -2.924 1.00 4.00 H new ATOM 1425 N THR B 16 8.057 -8.489 2.286 1.00 2.62 N ATOM 1426 CA THR B 16 9.040 -9.383 1.680 1.00 2.82 C ATOM 1427 C THR B 16 9.141 -9.167 0.172 1.00 2.71 C ATOM 1428 O THR B 16 8.158 -9.319 -0.554 1.00 3.05 O ATOM 1429 CB THR B 16 8.692 -10.861 1.954 1.00 3.44 C ATOM 1430 OG1 THR B 16 8.624 -11.095 3.367 1.00 3.72 O ATOM 1431 CG2 THR B 16 9.727 -11.790 1.334 1.00 3.82 C ATOM 0 H THR B 16 7.091 -8.681 2.021 1.00 2.62 H new ATOM 0 HA THR B 16 10.001 -9.147 2.136 1.00 2.82 H new ATOM 0 HB THR B 16 7.723 -11.070 1.501 1.00 3.44 H new ATOM 0 HG1 THR B 16 8.401 -12.035 3.533 1.00 3.72 H new ATOM 0 HG21 THR B 16 9.458 -12.825 1.542 1.00 3.82 H new ATOM 0 HG22 THR B 16 9.758 -11.633 0.256 1.00 3.82 H new ATOM 0 HG23 THR B 16 10.708 -11.578 1.760 1.00 3.82 H new ATOM 1439 N GLY B 17 10.343 -8.808 -0.290 1.00 2.63 N ATOM 1440 CA GLY B 17 10.562 -8.596 -1.712 1.00 2.64 C ATOM 1441 C GLY B 17 10.357 -9.867 -2.512 1.00 2.86 C ATOM 1442 O GLY B 17 10.680 -10.958 -2.042 1.00 3.22 O ATOM 0 H GLY B 17 11.165 -8.661 0.296 1.00 2.63 H new ATOM 0 HA2 GLY B 17 9.880 -7.826 -2.073 1.00 2.64 H new ATOM 0 HA3 GLY B 17 11.575 -8.226 -1.872 1.00 2.64 H new ATOM 1446 N THR B 18 9.820 -9.726 -3.724 1.00 2.97 N ATOM 1447 CA THR B 18 9.578 -10.874 -4.590 1.00 3.40 C ATOM 1448 C THR B 18 10.566 -10.909 -5.753 1.00 3.24 C ATOM 1449 O THR B 18 10.806 -11.959 -6.352 1.00 3.53 O ATOM 1450 CB THR B 18 8.144 -10.851 -5.149 1.00 4.01 C ATOM 1451 OG1 THR B 18 7.942 -9.664 -5.928 1.00 4.37 O ATOM 1452 CG2 THR B 18 7.123 -10.904 -4.023 1.00 4.64 C ATOM 0 H THR B 18 9.546 -8.829 -4.125 1.00 2.97 H new ATOM 0 HA THR B 18 9.714 -11.768 -3.981 1.00 3.40 H new ATOM 0 HB THR B 18 8.009 -11.729 -5.781 1.00 4.01 H new ATOM 0 HG1 THR B 18 7.045 -9.308 -5.755 1.00 4.37 H new ATOM 0 HG21 THR B 18 6.117 -10.887 -4.443 1.00 4.64 H new ATOM 0 HG22 THR B 18 7.261 -11.821 -3.450 1.00 4.64 H new ATOM 0 HG23 THR B 18 7.258 -10.043 -3.369 1.00 4.64 H new ATOM 1460 N ASN B 19 11.131 -9.741 -6.061 1.00 2.97 N ATOM 1461 CA ASN B 19 12.106 -9.601 -7.139 1.00 2.95 C ATOM 1462 C ASN B 19 13.438 -9.112 -6.576 1.00 2.53 C ATOM 1463 O ASN B 19 13.486 -8.534 -5.489 1.00 2.37 O ATOM 1464 CB ASN B 19 11.589 -8.621 -8.197 1.00 3.31 C ATOM 1465 CG ASN B 19 12.548 -8.456 -9.363 1.00 3.62 C ATOM 1466 OD1 ASN B 19 13.190 -9.412 -9.797 1.00 3.98 O ATOM 1467 ND2 ASN B 19 12.653 -7.234 -9.871 1.00 4.05 N ATOM 0 H ASN B 19 10.926 -8.870 -5.572 1.00 2.97 H new ATOM 0 HA ASN B 19 12.255 -10.574 -7.608 1.00 2.95 H new ATOM 0 HB2 ASN B 19 10.627 -8.971 -8.570 1.00 3.31 H new ATOM 0 HB3 ASN B 19 11.417 -7.650 -7.733 1.00 3.31 H new ATOM 0 HD21 ASN B 19 13.285 -7.059 -10.652 1.00 4.05 H new ATOM 0 HD22 ASN B 19 12.102 -6.470 -9.480 1.00 4.05 H new ATOM 1474 N GLU B 20 14.516 -9.349 -7.318 1.00 2.59 N ATOM 1475 CA GLU B 20 15.852 -8.954 -6.880 1.00 2.51 C ATOM 1476 C GLU B 20 15.981 -7.436 -6.782 1.00 2.43 C ATOM 1477 O GLU B 20 16.658 -6.923 -5.892 1.00 2.58 O ATOM 1478 CB GLU B 20 16.910 -9.514 -7.834 1.00 2.89 C ATOM 1479 CG GLU B 20 18.339 -9.174 -7.438 1.00 3.34 C ATOM 1480 CD GLU B 20 18.696 -9.669 -6.049 1.00 3.79 C ATOM 1481 OE1 GLU B 20 19.088 -10.847 -5.921 1.00 4.19 O ATOM 1482 OE2 GLU B 20 18.581 -8.878 -5.088 1.00 4.26 O ATOM 0 H GLU B 20 14.491 -9.813 -8.226 1.00 2.59 H new ATOM 0 HA GLU B 20 16.013 -9.369 -5.885 1.00 2.51 H new ATOM 0 HB2 GLU B 20 16.805 -10.598 -7.882 1.00 2.89 H new ATOM 0 HB3 GLU B 20 16.720 -9.131 -8.837 1.00 2.89 H new ATOM 0 HG2 GLU B 20 19.026 -9.611 -8.163 1.00 3.34 H new ATOM 0 HG3 GLU B 20 18.476 -8.093 -7.480 1.00 3.34 H new ATOM 1489 N ASP B 21 15.326 -6.719 -7.696 1.00 2.53 N ATOM 1490 CA ASP B 21 15.392 -5.262 -7.690 1.00 2.79 C ATOM 1491 C ASP B 21 14.490 -4.690 -6.601 1.00 2.58 C ATOM 1492 O ASP B 21 14.463 -3.480 -6.372 1.00 2.78 O ATOM 1493 CB ASP B 21 15.008 -4.696 -9.058 1.00 3.35 C ATOM 1494 CG ASP B 21 15.821 -5.308 -10.184 1.00 3.78 C ATOM 1495 OD1 ASP B 21 15.448 -6.401 -10.660 1.00 4.22 O ATOM 1496 OD2 ASP B 21 16.832 -4.694 -10.586 1.00 4.18 O ATOM 0 H ASP B 21 14.752 -7.118 -8.439 1.00 2.53 H new ATOM 0 HA ASP B 21 16.420 -4.968 -7.476 1.00 2.79 H new ATOM 0 HB2 ASP B 21 13.948 -4.876 -9.239 1.00 3.35 H new ATOM 0 HB3 ASP B 21 15.152 -3.616 -9.055 1.00 3.35 H new ATOM 1501 N GLU B 22 13.754 -5.577 -5.934 1.00 2.35 N ATOM 1502 CA GLU B 22 12.854 -5.183 -4.859 1.00 2.22 C ATOM 1503 C GLU B 22 13.617 -5.059 -3.544 1.00 1.84 C ATOM 1504 O GLU B 22 14.677 -5.664 -3.373 1.00 1.91 O ATOM 1505 CB GLU B 22 11.729 -6.215 -4.713 1.00 2.44 C ATOM 1506 CG GLU B 22 10.469 -5.664 -4.058 1.00 2.91 C ATOM 1507 CD GLU B 22 9.579 -4.924 -5.038 1.00 3.33 C ATOM 1508 OE1 GLU B 22 10.039 -3.919 -5.616 1.00 3.68 O ATOM 1509 OE2 GLU B 22 8.422 -5.354 -5.231 1.00 3.77 O ATOM 0 H GLU B 22 13.766 -6.579 -6.123 1.00 2.35 H new ATOM 0 HA GLU B 22 12.421 -4.213 -5.105 1.00 2.22 H new ATOM 0 HB2 GLU B 22 11.474 -6.603 -5.699 1.00 2.44 H new ATOM 0 HB3 GLU B 22 12.095 -7.056 -4.124 1.00 2.44 H new ATOM 0 HG2 GLU B 22 9.908 -6.484 -3.611 1.00 2.91 H new ATOM 0 HG3 GLU B 22 10.750 -4.991 -3.248 1.00 2.91 H new ATOM 1516 N LEU B 23 13.078 -4.276 -2.622 1.00 1.69 N ATOM 1517 CA LEU B 23 13.684 -4.111 -1.306 1.00 1.59 C ATOM 1518 C LEU B 23 12.830 -4.858 -0.287 1.00 1.33 C ATOM 1519 O LEU B 23 11.608 -4.930 -0.423 1.00 1.30 O ATOM 1520 CB LEU B 23 13.804 -2.627 -0.946 1.00 1.92 C ATOM 1521 CG LEU B 23 14.880 -2.289 0.096 1.00 2.39 C ATOM 1522 CD1 LEU B 23 16.093 -3.195 -0.059 1.00 3.13 C ATOM 1523 CD2 LEU B 23 15.298 -0.829 -0.022 1.00 2.61 C ATOM 0 H LEU B 23 12.220 -3.743 -2.760 1.00 1.69 H new ATOM 0 HA LEU B 23 14.693 -4.523 -1.307 1.00 1.59 H new ATOM 0 HB2 LEU B 23 14.014 -2.065 -1.856 1.00 1.92 H new ATOM 0 HB3 LEU B 23 12.840 -2.281 -0.573 1.00 1.92 H new ATOM 0 HG LEU B 23 14.453 -2.454 1.085 1.00 2.39 H new ATOM 0 HD11 LEU B 23 16.840 -2.935 0.691 1.00 3.13 H new ATOM 0 HD12 LEU B 23 15.791 -4.234 0.075 1.00 3.13 H new ATOM 0 HD13 LEU B 23 16.518 -3.067 -1.054 1.00 3.13 H new ATOM 0 HD21 LEU B 23 16.061 -0.608 0.724 1.00 2.61 H new ATOM 0 HD22 LEU B 23 15.700 -0.645 -1.018 1.00 2.61 H new ATOM 0 HD23 LEU B 23 14.432 -0.188 0.143 1.00 2.61 H new ATOM 1535 N THR B 24 13.482 -5.413 0.734 1.00 1.49 N ATOM 1536 CA THR B 24 12.784 -6.154 1.782 1.00 1.61 C ATOM 1537 C THR B 24 12.927 -5.460 3.134 1.00 1.73 C ATOM 1538 O THR B 24 14.033 -5.107 3.536 1.00 2.12 O ATOM 1539 CB THR B 24 13.311 -7.600 1.891 1.00 2.09 C ATOM 1540 OG1 THR B 24 13.076 -8.300 0.664 1.00 2.21 O ATOM 1541 CG2 THR B 24 12.646 -8.344 3.041 1.00 2.46 C ATOM 0 H THR B 24 14.493 -5.363 0.857 1.00 1.49 H new ATOM 0 HA THR B 24 11.730 -6.182 1.506 1.00 1.61 H new ATOM 0 HB THR B 24 14.382 -7.554 2.087 1.00 2.09 H new ATOM 0 HG1 THR B 24 13.415 -9.216 0.740 1.00 2.21 H new ATOM 0 HG21 THR B 24 13.038 -9.360 3.092 1.00 2.46 H new ATOM 0 HG22 THR B 24 12.854 -7.827 3.978 1.00 2.46 H new ATOM 0 HG23 THR B 24 11.569 -8.379 2.878 1.00 2.46 H new ATOM 1549 N PHE B 25 11.813 -5.275 3.834 1.00 1.59 N ATOM 1550 CA PHE B 25 11.833 -4.604 5.135 1.00 1.85 C ATOM 1551 C PHE B 25 11.060 -5.379 6.193 1.00 2.01 C ATOM 1552 O PHE B 25 9.994 -5.915 5.911 1.00 2.00 O ATOM 1553 CB PHE B 25 11.219 -3.206 5.029 1.00 1.77 C ATOM 1554 CG PHE B 25 11.725 -2.383 3.880 1.00 1.55 C ATOM 1555 CD1 PHE B 25 12.932 -1.712 3.970 1.00 1.69 C ATOM 1556 CD2 PHE B 25 10.979 -2.262 2.720 1.00 1.98 C ATOM 1557 CE1 PHE B 25 13.387 -0.937 2.922 1.00 2.12 C ATOM 1558 CE2 PHE B 25 11.428 -1.486 1.670 1.00 2.46 C ATOM 1559 CZ PHE B 25 12.633 -0.824 1.772 1.00 2.49 C ATOM 0 H PHE B 25 10.888 -5.577 3.527 1.00 1.59 H new ATOM 0 HA PHE B 25 12.880 -4.543 5.433 1.00 1.85 H new ATOM 0 HB2 PHE B 25 10.137 -3.305 4.938 1.00 1.77 H new ATOM 0 HB3 PHE B 25 11.413 -2.668 5.957 1.00 1.77 H new ATOM 0 HD1 PHE B 25 13.524 -1.795 4.869 1.00 1.69 H new ATOM 0 HD2 PHE B 25 10.035 -2.780 2.635 1.00 1.98 H new ATOM 0 HE1 PHE B 25 14.332 -0.420 3.002 1.00 2.12 H new ATOM 0 HE2 PHE B 25 10.837 -1.398 0.771 1.00 2.46 H new ATOM 0 HZ PHE B 25 12.987 -0.217 0.952 1.00 2.49 H new ATOM 1569 N ARG B 26 11.600 -5.443 7.404 1.00 2.36 N ATOM 1570 CA ARG B 26 10.916 -6.122 8.501 1.00 2.64 C ATOM 1571 C ARG B 26 10.397 -5.094 9.505 1.00 2.55 C ATOM 1572 O ARG B 26 10.629 -3.896 9.347 1.00 2.38 O ATOM 1573 CB ARG B 26 11.847 -7.122 9.196 1.00 3.25 C ATOM 1574 CG ARG B 26 12.326 -8.257 8.301 1.00 3.51 C ATOM 1575 CD ARG B 26 13.328 -7.777 7.261 1.00 4.14 C ATOM 1576 NE ARG B 26 14.026 -8.889 6.620 1.00 4.69 N ATOM 1577 CZ ARG B 26 14.971 -8.736 5.696 1.00 5.47 C ATOM 1578 NH1 ARG B 26 15.322 -7.523 5.293 1.00 5.83 N ATOM 1579 NH2 ARG B 26 15.564 -9.800 5.173 1.00 6.21 N ATOM 0 H ARG B 26 12.502 -5.037 7.652 1.00 2.36 H new ATOM 0 HA ARG B 26 10.073 -6.678 8.090 1.00 2.64 H new ATOM 0 HB2 ARG B 26 12.715 -6.586 9.580 1.00 3.25 H new ATOM 0 HB3 ARG B 26 11.329 -7.547 10.056 1.00 3.25 H new ATOM 0 HG2 ARG B 26 12.783 -9.034 8.914 1.00 3.51 H new ATOM 0 HG3 ARG B 26 11.471 -8.709 7.799 1.00 3.51 H new ATOM 0 HD2 ARG B 26 12.810 -7.189 6.503 1.00 4.14 H new ATOM 0 HD3 ARG B 26 14.055 -7.118 7.735 1.00 4.14 H new ATOM 0 HE ARG B 26 13.774 -9.838 6.897 1.00 4.69 H new ATOM 0 HH11 ARG B 26 14.867 -6.702 5.692 1.00 5.83 H new ATOM 0 HH12 ARG B 26 16.047 -7.411 4.584 1.00 5.83 H new ATOM 0 HH21 ARG B 26 15.296 -10.735 5.479 1.00 6.21 H new ATOM 0 HH22 ARG B 26 16.289 -9.683 4.465 1.00 6.21 H new ATOM 1593 N GLU B 27 9.693 -5.558 10.531 1.00 2.79 N ATOM 1594 CA GLU B 27 9.162 -4.664 11.558 1.00 2.80 C ATOM 1595 C GLU B 27 10.256 -4.307 12.562 1.00 3.17 C ATOM 1596 O GLU B 27 11.046 -5.160 12.971 1.00 3.57 O ATOM 1597 CB GLU B 27 7.973 -5.314 12.272 1.00 3.01 C ATOM 1598 CG GLU B 27 7.462 -4.519 13.466 1.00 2.98 C ATOM 1599 CD GLU B 27 7.164 -3.072 13.124 1.00 3.49 C ATOM 1600 OE1 GLU B 27 6.354 -2.836 12.206 1.00 3.87 O ATOM 1601 OE2 GLU B 27 7.739 -2.176 13.776 1.00 3.83 O ATOM 0 H GLU B 27 9.476 -6.544 10.675 1.00 2.79 H new ATOM 0 HA GLU B 27 8.816 -3.749 11.078 1.00 2.80 H new ATOM 0 HB2 GLU B 27 7.159 -5.443 11.558 1.00 3.01 H new ATOM 0 HB3 GLU B 27 8.263 -6.310 12.608 1.00 3.01 H new ATOM 0 HG2 GLU B 27 6.558 -4.990 13.850 1.00 2.98 H new ATOM 0 HG3 GLU B 27 8.204 -4.554 14.264 1.00 2.98 H new ATOM 1608 N GLY B 28 10.287 -3.032 12.946 1.00 3.14 N ATOM 1609 CA GLY B 28 11.304 -2.543 13.864 1.00 3.60 C ATOM 1610 C GLY B 28 12.574 -2.169 13.121 1.00 3.75 C ATOM 1611 O GLY B 28 13.656 -2.090 13.702 1.00 4.23 O ATOM 0 H GLY B 28 9.621 -2.325 12.635 1.00 3.14 H new ATOM 0 HA2 GLY B 28 10.925 -1.675 14.403 1.00 3.60 H new ATOM 0 HA3 GLY B 28 11.526 -3.308 14.608 1.00 3.60 H new ATOM 1615 N GLU B 29 12.411 -1.940 11.819 1.00 3.41 N ATOM 1616 CA GLU B 29 13.513 -1.608 10.920 1.00 3.61 C ATOM 1617 C GLU B 29 13.648 -0.108 10.653 1.00 3.65 C ATOM 1618 O GLU B 29 12.880 0.716 11.151 1.00 3.39 O ATOM 1619 CB GLU B 29 13.366 -2.367 9.599 1.00 3.33 C ATOM 1620 CG GLU B 29 13.566 -3.869 9.733 1.00 3.45 C ATOM 1621 CD GLU B 29 14.942 -4.233 10.257 1.00 3.74 C ATOM 1622 OE1 GLU B 29 15.885 -4.316 9.441 1.00 3.93 O ATOM 1623 OE2 GLU B 29 15.078 -4.435 11.482 1.00 4.19 O ATOM 0 H GLU B 29 11.503 -1.980 11.356 1.00 3.41 H new ATOM 0 HA GLU B 29 14.428 -1.917 11.426 1.00 3.61 H new ATOM 0 HB2 GLU B 29 12.374 -2.176 9.189 1.00 3.33 H new ATOM 0 HB3 GLU B 29 14.088 -1.975 8.883 1.00 3.33 H new ATOM 0 HG2 GLU B 29 12.808 -4.274 10.403 1.00 3.45 H new ATOM 0 HG3 GLU B 29 13.416 -4.339 8.761 1.00 3.45 H new ATOM 1630 N ILE B 30 14.642 0.195 9.849 1.00 4.10 N ATOM 1631 CA ILE B 30 14.960 1.576 9.484 1.00 4.32 C ATOM 1632 C ILE B 30 15.212 1.693 7.985 1.00 4.27 C ATOM 1633 O ILE B 30 16.121 1.060 7.448 1.00 4.58 O ATOM 1634 CB ILE B 30 16.199 2.100 10.241 1.00 4.94 C ATOM 1635 CG1 ILE B 30 16.051 1.879 11.752 1.00 5.06 C ATOM 1636 CG2 ILE B 30 16.422 3.578 9.933 1.00 5.23 C ATOM 1637 CD1 ILE B 30 15.009 2.764 12.404 1.00 4.81 C ATOM 0 H ILE B 30 15.257 -0.500 9.425 1.00 4.10 H new ATOM 0 HA ILE B 30 14.098 2.182 9.764 1.00 4.32 H new ATOM 0 HB ILE B 30 17.070 1.539 9.902 1.00 4.94 H new ATOM 0 HG12 ILE B 30 15.792 0.836 11.933 1.00 5.06 H new ATOM 0 HG13 ILE B 30 17.014 2.056 12.231 1.00 5.06 H new ATOM 0 HG21 ILE B 30 17.299 3.934 10.474 1.00 5.23 H new ATOM 0 HG22 ILE B 30 16.579 3.707 8.862 1.00 5.23 H new ATOM 0 HG23 ILE B 30 15.548 4.150 10.243 1.00 5.23 H new ATOM 0 HD11 ILE B 30 14.964 2.548 13.471 1.00 4.81 H new ATOM 0 HD12 ILE B 30 15.277 3.810 12.257 1.00 4.81 H new ATOM 0 HD13 ILE B 30 14.035 2.572 11.954 1.00 4.81 H new ATOM 1649 N ILE B 31 14.402 2.506 7.321 1.00 3.95 N ATOM 1650 CA ILE B 31 14.516 2.704 5.879 1.00 3.95 C ATOM 1651 C ILE B 31 14.933 4.130 5.540 1.00 4.46 C ATOM 1652 O ILE B 31 14.388 5.091 6.084 1.00 4.64 O ATOM 1653 CB ILE B 31 13.181 2.400 5.170 1.00 3.46 C ATOM 1654 CG1 ILE B 31 12.639 1.037 5.611 1.00 2.97 C ATOM 1655 CG2 ILE B 31 13.361 2.449 3.658 1.00 3.48 C ATOM 1656 CD1 ILE B 31 11.289 0.702 5.013 1.00 2.59 C ATOM 0 H ILE B 31 13.654 3.043 7.759 1.00 3.95 H new ATOM 0 HA ILE B 31 15.284 2.014 5.529 1.00 3.95 H new ATOM 0 HB ILE B 31 12.454 3.162 5.452 1.00 3.46 H new ATOM 0 HG12 ILE B 31 13.354 0.263 5.331 1.00 2.97 H new ATOM 0 HG13 ILE B 31 12.560 1.021 6.698 1.00 2.97 H new ATOM 0 HG21 ILE B 31 12.410 2.232 3.171 1.00 3.48 H new ATOM 0 HG22 ILE B 31 13.701 3.442 3.364 1.00 3.48 H new ATOM 0 HG23 ILE B 31 14.101 1.708 3.355 1.00 3.48 H new ATOM 0 HD11 ILE B 31 10.966 -0.277 5.368 1.00 2.59 H new ATOM 0 HD12 ILE B 31 10.561 1.455 5.314 1.00 2.59 H new ATOM 0 HD13 ILE B 31 11.367 0.686 3.926 1.00 2.59 H new ATOM 1668 N HIS B 32 15.903 4.260 4.639 1.00 4.75 N ATOM 1669 CA HIS B 32 16.368 5.570 4.196 1.00 5.28 C ATOM 1670 C HIS B 32 15.610 5.977 2.938 1.00 5.20 C ATOM 1671 O HIS B 32 15.571 5.229 1.960 1.00 5.08 O ATOM 1672 CB HIS B 32 17.873 5.538 3.919 1.00 5.69 C ATOM 1673 CG HIS B 32 18.681 5.004 5.061 1.00 6.15 C ATOM 1674 ND1 HIS B 32 19.130 5.794 6.099 1.00 6.55 N ATOM 1675 CD2 HIS B 32 19.119 3.750 5.329 1.00 6.53 C ATOM 1676 CE1 HIS B 32 19.808 5.049 6.955 1.00 7.12 C ATOM 1677 NE2 HIS B 32 19.816 3.807 6.510 1.00 7.14 N ATOM 0 H HIS B 32 16.382 3.473 4.201 1.00 4.75 H new ATOM 0 HA HIS B 32 16.181 6.300 4.983 1.00 5.28 H new ATOM 0 HB2 HIS B 32 18.059 4.926 3.036 1.00 5.69 H new ATOM 0 HB3 HIS B 32 18.213 6.547 3.685 1.00 5.69 H new ATOM 0 HD1 HIS B 32 18.965 6.796 6.192 1.00 6.55 H new ATOM 0 HD2 HIS B 32 18.951 2.870 4.726 1.00 6.53 H new ATOM 0 HE1 HIS B 32 20.276 5.398 7.864 1.00 7.12 H new ATOM 1686 N LEU B 33 15.011 7.165 2.963 1.00 5.34 N ATOM 1687 CA LEU B 33 14.244 7.657 1.824 1.00 5.40 C ATOM 1688 C LEU B 33 15.177 8.097 0.701 1.00 5.86 C ATOM 1689 O LEU B 33 15.784 9.168 0.760 1.00 6.33 O ATOM 1690 CB LEU B 33 13.339 8.818 2.254 1.00 5.56 C ATOM 1691 CG LEU B 33 12.205 9.168 1.281 1.00 5.46 C ATOM 1692 CD1 LEU B 33 11.344 10.289 1.846 1.00 5.60 C ATOM 1693 CD2 LEU B 33 12.760 9.557 -0.083 1.00 5.63 C ATOM 0 H LEU B 33 15.042 7.803 3.758 1.00 5.34 H new ATOM 0 HA LEU B 33 13.617 6.846 1.452 1.00 5.40 H new ATOM 0 HB2 LEU B 33 12.901 8.575 3.222 1.00 5.56 H new ATOM 0 HB3 LEU B 33 13.958 9.704 2.397 1.00 5.56 H new ATOM 0 HG LEU B 33 11.582 8.283 1.154 1.00 5.46 H new ATOM 0 HD11 LEU B 33 10.545 10.524 1.143 1.00 5.60 H new ATOM 0 HD12 LEU B 33 10.911 9.972 2.795 1.00 5.60 H new ATOM 0 HD13 LEU B 33 11.959 11.175 2.006 1.00 5.60 H new ATOM 0 HD21 LEU B 33 11.937 9.801 -0.755 1.00 5.63 H new ATOM 0 HD22 LEU B 33 13.411 10.425 0.023 1.00 5.63 H new ATOM 0 HD23 LEU B 33 13.330 8.724 -0.495 1.00 5.63 H new ATOM 1705 N ILE B 34 15.288 7.253 -0.310 1.00 5.75 N ATOM 1706 CA ILE B 34 16.137 7.536 -1.460 1.00 6.18 C ATOM 1707 C ILE B 34 15.433 8.453 -2.452 1.00 6.46 C ATOM 1708 O ILE B 34 15.858 9.588 -2.673 1.00 6.97 O ATOM 1709 CB ILE B 34 16.566 6.235 -2.175 1.00 5.96 C ATOM 1710 CG1 ILE B 34 17.425 5.371 -1.244 1.00 5.72 C ATOM 1711 CG2 ILE B 34 17.321 6.547 -3.462 1.00 6.44 C ATOM 1712 CD1 ILE B 34 18.725 6.030 -0.826 1.00 6.06 C ATOM 0 H ILE B 34 14.798 6.360 -0.360 1.00 5.75 H new ATOM 0 HA ILE B 34 17.027 8.040 -1.083 1.00 6.18 H new ATOM 0 HB ILE B 34 15.667 5.677 -2.436 1.00 5.96 H new ATOM 0 HG12 ILE B 34 16.847 5.129 -0.352 1.00 5.72 H new ATOM 0 HG13 ILE B 34 17.650 4.428 -1.743 1.00 5.72 H new ATOM 0 HG21 ILE B 34 17.613 5.616 -3.948 1.00 6.44 H new ATOM 0 HG22 ILE B 34 16.679 7.119 -4.131 1.00 6.44 H new ATOM 0 HG23 ILE B 34 18.212 7.129 -3.229 1.00 6.44 H new ATOM 0 HD11 ILE B 34 19.278 5.359 -0.169 1.00 6.06 H new ATOM 0 HD12 ILE B 34 19.324 6.247 -1.711 1.00 6.06 H new ATOM 0 HD13 ILE B 34 18.509 6.959 -0.298 1.00 6.06 H new ATOM 1724 N SER B 35 14.355 7.958 -3.043 1.00 6.18 N ATOM 1725 CA SER B 35 13.602 8.737 -4.020 1.00 6.50 C ATOM 1726 C SER B 35 12.143 8.308 -4.115 1.00 6.25 C ATOM 1727 O SER B 35 11.834 7.207 -4.570 1.00 5.79 O ATOM 1728 CB SER B 35 14.254 8.618 -5.399 1.00 6.64 C ATOM 1729 OG SER B 35 15.571 9.142 -5.391 1.00 7.03 O ATOM 0 H SER B 35 13.982 7.025 -2.865 1.00 6.18 H new ATOM 0 HA SER B 35 13.620 9.772 -3.679 1.00 6.50 H new ATOM 0 HB2 SER B 35 14.278 7.572 -5.704 1.00 6.64 H new ATOM 0 HB3 SER B 35 13.652 9.151 -6.136 1.00 6.64 H new ATOM 0 HG SER B 35 15.964 9.052 -6.284 1.00 7.03 H new ATOM 1735 N LYS B 36 11.247 9.189 -3.682 1.00 6.58 N ATOM 1736 CA LYS B 36 9.820 8.911 -3.767 1.00 6.47 C ATOM 1737 C LYS B 36 9.450 8.657 -5.225 1.00 6.70 C ATOM 1738 O LYS B 36 9.167 7.523 -5.612 1.00 6.67 O ATOM 1739 CB LYS B 36 9.007 10.083 -3.209 1.00 6.78 C ATOM 1740 CG LYS B 36 9.111 10.232 -1.698 1.00 6.60 C ATOM 1741 CD LYS B 36 8.290 11.409 -1.191 1.00 6.92 C ATOM 1742 CE LYS B 36 8.873 12.740 -1.645 1.00 7.04 C ATOM 1743 NZ LYS B 36 8.126 13.895 -1.076 1.00 7.52 N ATOM 0 H LYS B 36 11.482 10.093 -3.272 1.00 6.58 H new ATOM 0 HA LYS B 36 9.589 8.028 -3.171 1.00 6.47 H new ATOM 0 HB2 LYS B 36 9.345 11.006 -3.681 1.00 6.78 H new ATOM 0 HB3 LYS B 36 7.960 9.950 -3.481 1.00 6.78 H new ATOM 0 HG2 LYS B 36 8.769 9.316 -1.217 1.00 6.60 H new ATOM 0 HG3 LYS B 36 10.155 10.369 -1.417 1.00 6.60 H new ATOM 0 HD2 LYS B 36 7.265 11.319 -1.551 1.00 6.92 H new ATOM 0 HD3 LYS B 36 8.249 11.382 -0.102 1.00 6.92 H new ATOM 0 HE2 LYS B 36 9.919 12.800 -1.344 1.00 7.04 H new ATOM 0 HE3 LYS B 36 8.851 12.794 -2.733 1.00 7.04 H new ATOM 0 HZ1 LYS B 36 8.554 14.783 -1.409 1.00 7.52 H new ATOM 0 HZ2 LYS B 36 7.134 13.852 -1.384 1.00 7.52 H new ATOM 0 HZ3 LYS B 36 8.168 13.858 -0.038 1.00 7.52 H new ATOM 1757 N GLU B 37 9.447 9.726 -6.025 1.00 7.01 N ATOM 1758 CA GLU B 37 9.141 9.636 -7.450 1.00 7.29 C ATOM 1759 C GLU B 37 9.870 8.460 -8.104 1.00 7.12 C ATOM 1760 O GLU B 37 11.037 8.572 -8.481 1.00 7.28 O ATOM 1761 CB GLU B 37 9.532 10.943 -8.149 1.00 7.94 C ATOM 1762 CG GLU B 37 9.156 10.989 -9.623 1.00 8.15 C ATOM 1763 CD GLU B 37 9.558 12.294 -10.286 1.00 8.62 C ATOM 1764 OE1 GLU B 37 8.754 13.249 -10.254 1.00 8.93 O ATOM 1765 OE2 GLU B 37 10.678 12.360 -10.836 1.00 8.92 O ATOM 0 H GLU B 37 9.655 10.671 -5.704 1.00 7.01 H new ATOM 0 HA GLU B 37 8.069 9.470 -7.555 1.00 7.29 H new ATOM 0 HB2 GLU B 37 9.052 11.776 -7.635 1.00 7.94 H new ATOM 0 HB3 GLU B 37 10.608 11.087 -8.054 1.00 7.94 H new ATOM 0 HG2 GLU B 37 9.635 10.159 -10.143 1.00 8.15 H new ATOM 0 HG3 GLU B 37 8.080 10.850 -9.724 1.00 8.15 H new ATOM 1772 N THR B 38 9.172 7.331 -8.222 1.00 6.83 N ATOM 1773 CA THR B 38 9.734 6.127 -8.831 1.00 6.67 C ATOM 1774 C THR B 38 9.046 5.810 -10.158 1.00 7.05 C ATOM 1775 O THR B 38 9.415 4.860 -10.849 1.00 7.02 O ATOM 1776 CB THR B 38 9.618 4.913 -7.883 1.00 6.06 C ATOM 1777 OG1 THR B 38 10.066 3.725 -8.546 1.00 5.92 O ATOM 1778 CG2 THR B 38 8.191 4.720 -7.398 1.00 5.76 C ATOM 0 H THR B 38 8.210 7.226 -7.901 1.00 6.83 H new ATOM 0 HA THR B 38 10.789 6.324 -9.019 1.00 6.67 H new ATOM 0 HB THR B 38 10.249 5.108 -7.016 1.00 6.06 H new ATOM 0 HG1 THR B 38 10.115 3.888 -9.511 1.00 5.92 H new ATOM 0 HG21 THR B 38 8.146 3.857 -6.733 1.00 5.76 H new ATOM 0 HG22 THR B 38 7.866 5.610 -6.859 1.00 5.76 H new ATOM 0 HG23 THR B 38 7.536 4.554 -8.253 1.00 5.76 H new ATOM 1786 N GLY B 39 8.044 6.617 -10.507 1.00 7.47 N ATOM 1787 CA GLY B 39 7.328 6.424 -11.758 1.00 7.90 C ATOM 1788 C GLY B 39 6.087 5.565 -11.610 1.00 7.94 C ATOM 1789 O GLY B 39 5.387 5.310 -12.591 1.00 8.42 O ATOM 0 H GLY B 39 7.716 7.402 -9.944 1.00 7.47 H new ATOM 0 HA2 GLY B 39 7.043 7.396 -12.160 1.00 7.90 H new ATOM 0 HA3 GLY B 39 7.997 5.963 -12.484 1.00 7.90 H new ATOM 1793 N GLU B 40 5.810 5.114 -10.386 1.00 7.48 N ATOM 1794 CA GLU B 40 4.647 4.272 -10.122 1.00 7.53 C ATOM 1795 C GLU B 40 3.893 4.745 -8.882 1.00 7.35 C ATOM 1796 O GLU B 40 4.469 4.857 -7.799 1.00 6.94 O ATOM 1797 CB GLU B 40 5.091 2.820 -9.936 1.00 7.20 C ATOM 1798 CG GLU B 40 3.945 1.821 -9.952 1.00 7.44 C ATOM 1799 CD GLU B 40 3.317 1.673 -11.325 1.00 7.63 C ATOM 1800 OE1 GLU B 40 2.395 2.452 -11.646 1.00 7.73 O ATOM 1801 OE2 GLU B 40 3.747 0.777 -12.082 1.00 7.96 O ATOM 0 H GLU B 40 6.376 5.319 -9.563 1.00 7.48 H new ATOM 0 HA GLU B 40 3.974 4.343 -10.977 1.00 7.53 H new ATOM 0 HB2 GLU B 40 5.797 2.562 -10.725 1.00 7.20 H new ATOM 0 HB3 GLU B 40 5.625 2.731 -8.990 1.00 7.20 H new ATOM 0 HG2 GLU B 40 4.310 0.850 -9.617 1.00 7.44 H new ATOM 0 HG3 GLU B 40 3.182 2.137 -9.240 1.00 7.44 H new ATOM 1808 N ALA B 41 2.603 5.020 -9.052 1.00 7.70 N ATOM 1809 CA ALA B 41 1.758 5.471 -7.951 1.00 7.61 C ATOM 1810 C ALA B 41 1.652 4.401 -6.868 1.00 7.15 C ATOM 1811 O ALA B 41 1.392 3.234 -7.158 1.00 7.30 O ATOM 1812 CB ALA B 41 0.375 5.840 -8.468 1.00 8.20 C ATOM 0 H ALA B 41 2.118 4.938 -9.946 1.00 7.70 H new ATOM 0 HA ALA B 41 2.217 6.355 -7.508 1.00 7.61 H new ATOM 0 HB1 ALA B 41 -0.246 6.175 -7.638 1.00 8.20 H new ATOM 0 HB2 ALA B 41 0.463 6.641 -9.202 1.00 8.20 H new ATOM 0 HB3 ALA B 41 -0.083 4.968 -8.935 1.00 8.20 H new ATOM 1818 N GLY B 42 1.851 4.815 -5.620 1.00 6.68 N ATOM 1819 CA GLY B 42 1.785 3.886 -4.503 1.00 6.22 C ATOM 1820 C GLY B 42 3.119 3.223 -4.217 1.00 5.64 C ATOM 1821 O GLY B 42 3.229 2.428 -3.283 1.00 5.21 O ATOM 0 H GLY B 42 2.057 5.780 -5.361 1.00 6.68 H new ATOM 0 HA2 GLY B 42 1.449 4.417 -3.613 1.00 6.22 H new ATOM 0 HA3 GLY B 42 1.040 3.119 -4.716 1.00 6.22 H new ATOM 1825 N TRP B 43 4.134 3.547 -5.017 1.00 5.67 N ATOM 1826 CA TRP B 43 5.461 2.962 -4.841 1.00 5.17 C ATOM 1827 C TRP B 43 6.504 4.027 -4.513 1.00 5.12 C ATOM 1828 O TRP B 43 6.537 5.095 -5.122 1.00 5.51 O ATOM 1829 CB TRP B 43 5.894 2.221 -6.108 1.00 5.28 C ATOM 1830 CG TRP B 43 5.142 0.951 -6.364 1.00 5.31 C ATOM 1831 CD1 TRP B 43 3.897 0.830 -6.906 1.00 5.83 C ATOM 1832 CD2 TRP B 43 5.596 -0.380 -6.096 1.00 4.91 C ATOM 1833 NE1 TRP B 43 3.550 -0.496 -6.996 1.00 5.80 N ATOM 1834 CE2 TRP B 43 4.575 -1.258 -6.503 1.00 5.25 C ATOM 1835 CE3 TRP B 43 6.766 -0.916 -5.553 1.00 4.38 C ATOM 1836 CZ2 TRP B 43 4.689 -2.640 -6.386 1.00 5.10 C ATOM 1837 CZ3 TRP B 43 6.878 -2.287 -5.435 1.00 4.21 C ATOM 1838 CH2 TRP B 43 5.846 -3.136 -5.850 1.00 4.58 C ATOM 0 H TRP B 43 4.063 4.209 -5.790 1.00 5.67 H new ATOM 0 HA TRP B 43 5.395 2.264 -4.007 1.00 5.17 H new ATOM 0 HB2 TRP B 43 5.768 2.884 -6.964 1.00 5.28 H new ATOM 0 HB3 TRP B 43 6.957 1.992 -6.036 1.00 5.28 H new ATOM 0 HD1 TRP B 43 3.275 1.656 -7.219 1.00 5.83 H new ATOM 0 HE1 TRP B 43 2.671 -0.855 -7.370 1.00 5.80 H new ATOM 0 HE3 TRP B 43 7.569 -0.269 -5.231 1.00 4.38 H new ATOM 0 HZ2 TRP B 43 3.894 -3.297 -6.706 1.00 5.10 H new ATOM 0 HZ3 TRP B 43 7.778 -2.712 -5.015 1.00 4.21 H new ATOM 0 HH2 TRP B 43 5.965 -4.204 -5.745 1.00 4.58 H new ATOM 1849 N TRP B 44 7.348 3.710 -3.517 1.00 4.72 N ATOM 1850 CA TRP B 44 8.425 4.598 -3.087 1.00 4.75 C ATOM 1851 C TRP B 44 9.752 3.853 -3.183 1.00 4.41 C ATOM 1852 O TRP B 44 9.776 2.624 -3.127 1.00 3.96 O ATOM 1853 CB TRP B 44 8.198 5.053 -1.639 1.00 4.63 C ATOM 1854 CG TRP B 44 7.422 6.329 -1.507 1.00 5.05 C ATOM 1855 CD1 TRP B 44 6.833 7.049 -2.508 1.00 5.56 C ATOM 1856 CD2 TRP B 44 7.156 7.038 -0.292 1.00 5.06 C ATOM 1857 NE1 TRP B 44 6.216 8.160 -1.987 1.00 5.87 N ATOM 1858 CE2 TRP B 44 6.400 8.176 -0.629 1.00 5.57 C ATOM 1859 CE3 TRP B 44 7.484 6.820 1.048 1.00 4.73 C ATOM 1860 CZ2 TRP B 44 5.968 9.093 0.326 1.00 5.73 C ATOM 1861 CZ3 TRP B 44 7.054 7.730 1.997 1.00 4.91 C ATOM 1862 CH2 TRP B 44 6.304 8.854 1.631 1.00 5.40 C ATOM 0 H TRP B 44 7.298 2.835 -2.994 1.00 4.72 H new ATOM 0 HA TRP B 44 8.442 5.477 -3.731 1.00 4.75 H new ATOM 0 HB2 TRP B 44 7.672 4.264 -1.101 1.00 4.63 H new ATOM 0 HB3 TRP B 44 9.166 5.179 -1.154 1.00 4.63 H new ATOM 0 HD1 TRP B 44 6.850 6.784 -3.555 1.00 5.56 H new ATOM 0 HE1 TRP B 44 5.704 8.860 -2.524 1.00 5.87 H new ATOM 0 HE3 TRP B 44 8.063 5.956 1.338 1.00 4.73 H new ATOM 0 HZ2 TRP B 44 5.389 9.961 0.047 1.00 5.73 H new ATOM 0 HZ3 TRP B 44 7.301 7.571 3.036 1.00 4.91 H new ATOM 0 HH2 TRP B 44 5.984 9.547 2.395 1.00 5.40 H new ATOM 1873 N LYS B 45 10.853 4.588 -3.326 1.00 4.69 N ATOM 1874 CA LYS B 45 12.169 3.964 -3.424 1.00 4.50 C ATOM 1875 C LYS B 45 13.020 4.310 -2.207 1.00 4.49 C ATOM 1876 O LYS B 45 13.135 5.476 -1.826 1.00 4.93 O ATOM 1877 CB LYS B 45 12.885 4.401 -4.706 1.00 4.91 C ATOM 1878 CG LYS B 45 14.195 3.665 -4.949 1.00 4.77 C ATOM 1879 CD LYS B 45 14.897 4.157 -6.209 1.00 5.23 C ATOM 1880 CE LYS B 45 14.152 3.744 -7.470 1.00 5.18 C ATOM 1881 NZ LYS B 45 14.060 2.264 -7.603 1.00 5.33 N ATOM 0 H LYS B 45 10.860 5.607 -3.376 1.00 4.69 H new ATOM 0 HA LYS B 45 12.027 2.884 -3.457 1.00 4.50 H new ATOM 0 HB2 LYS B 45 12.223 4.239 -5.556 1.00 4.91 H new ATOM 0 HB3 LYS B 45 13.083 5.472 -4.656 1.00 4.91 H new ATOM 0 HG2 LYS B 45 14.853 3.801 -4.090 1.00 4.77 H new ATOM 0 HG3 LYS B 45 14.000 2.596 -5.036 1.00 4.77 H new ATOM 0 HD2 LYS B 45 14.982 5.243 -6.177 1.00 5.23 H new ATOM 0 HD3 LYS B 45 15.911 3.758 -6.239 1.00 5.23 H new ATOM 0 HE2 LYS B 45 13.149 4.170 -7.454 1.00 5.18 H new ATOM 0 HE3 LYS B 45 14.659 4.156 -8.342 1.00 5.18 H new ATOM 0 HZ1 LYS B 45 13.143 2.009 -8.022 1.00 5.33 H new ATOM 0 HZ2 LYS B 45 14.828 1.922 -8.216 1.00 5.33 H new ATOM 0 HZ3 LYS B 45 14.145 1.825 -6.664 1.00 5.33 H new ATOM 1895 N GLY B 46 13.607 3.284 -1.604 1.00 4.06 N ATOM 1896 CA GLY B 46 14.443 3.483 -0.432 1.00 4.14 C ATOM 1897 C GLY B 46 15.670 2.597 -0.452 1.00 4.03 C ATOM 1898 O GLY B 46 15.834 1.780 -1.360 1.00 3.73 O ATOM 0 H GLY B 46 13.520 2.314 -1.906 1.00 4.06 H new ATOM 0 HA2 GLY B 46 14.751 4.527 -0.380 1.00 4.14 H new ATOM 0 HA3 GLY B 46 13.862 3.277 0.467 1.00 4.14 H new ATOM 1902 N GLU B 47 16.539 2.756 0.544 1.00 4.35 N ATOM 1903 CA GLU B 47 17.751 1.952 0.636 1.00 4.42 C ATOM 1904 C GLU B 47 17.829 1.262 1.991 1.00 4.29 C ATOM 1905 O GLU B 47 17.578 1.872 3.031 1.00 4.48 O ATOM 1906 CB GLU B 47 18.993 2.813 0.389 1.00 5.05 C ATOM 1907 CG GLU B 47 20.309 2.078 0.601 1.00 5.29 C ATOM 1908 CD GLU B 47 20.790 2.148 2.040 1.00 5.65 C ATOM 1909 OE1 GLU B 47 21.129 3.259 2.500 1.00 6.02 O ATOM 1910 OE2 GLU B 47 20.830 1.093 2.706 1.00 5.74 O ATOM 0 H GLU B 47 16.425 3.434 1.297 1.00 4.35 H new ATOM 0 HA GLU B 47 17.715 1.184 -0.137 1.00 4.42 H new ATOM 0 HB2 GLU B 47 18.962 3.193 -0.632 1.00 5.05 H new ATOM 0 HB3 GLU B 47 18.961 3.677 1.052 1.00 5.05 H new ATOM 0 HG2 GLU B 47 20.189 1.034 0.312 1.00 5.29 H new ATOM 0 HG3 GLU B 47 21.069 2.504 -0.054 1.00 5.29 H new ATOM 1917 N LEU B 48 18.177 -0.020 1.957 1.00 4.02 N ATOM 1918 CA LEU B 48 18.316 -0.828 3.160 1.00 3.99 C ATOM 1919 C LEU B 48 19.656 -1.566 3.146 1.00 4.21 C ATOM 1920 O LEU B 48 20.338 -1.574 2.131 1.00 4.01 O ATOM 1921 CB LEU B 48 17.146 -1.807 3.316 1.00 3.43 C ATOM 1922 CG LEU B 48 17.017 -2.461 4.697 1.00 3.46 C ATOM 1923 CD1 LEU B 48 16.745 -1.416 5.769 1.00 3.78 C ATOM 1924 CD2 LEU B 48 15.923 -3.513 4.686 1.00 2.98 C ATOM 0 H LEU B 48 18.370 -0.527 1.093 1.00 4.02 H new ATOM 0 HA LEU B 48 18.295 -0.163 4.023 1.00 3.99 H new ATOM 0 HB2 LEU B 48 16.219 -1.278 3.095 1.00 3.43 H new ATOM 0 HB3 LEU B 48 17.250 -2.593 2.568 1.00 3.43 H new ATOM 0 HG LEU B 48 17.963 -2.948 4.933 1.00 3.46 H new ATOM 0 HD11 LEU B 48 16.658 -1.905 6.739 1.00 3.78 H new ATOM 0 HD12 LEU B 48 17.566 -0.700 5.796 1.00 3.78 H new ATOM 0 HD13 LEU B 48 15.816 -0.894 5.541 1.00 3.78 H new ATOM 0 HD21 LEU B 48 15.845 -3.967 5.674 1.00 2.98 H new ATOM 0 HD22 LEU B 48 14.973 -3.047 4.425 1.00 2.98 H new ATOM 0 HD23 LEU B 48 16.164 -4.281 3.952 1.00 2.98 H new ATOM 1936 N ASN B 49 19.996 -2.178 4.288 1.00 4.70 N ATOM 1937 CA ASN B 49 21.272 -2.889 4.502 1.00 5.05 C ATOM 1938 C ASN B 49 22.039 -3.272 3.220 1.00 5.24 C ATOM 1939 O ASN B 49 22.200 -4.454 2.914 1.00 5.39 O ATOM 1940 CB ASN B 49 21.003 -4.165 5.308 1.00 4.80 C ATOM 1941 CG ASN B 49 20.445 -3.877 6.689 1.00 4.86 C ATOM 1942 OD1 ASN B 49 19.125 -3.934 6.820 1.00 5.32 O flip ATOM 1943 ND2 ASN B 49 21.193 -3.613 7.629 1.00 4.62 N flip ATOM 0 H ASN B 49 19.385 -2.196 5.105 1.00 4.70 H new ATOM 0 HA ASN B 49 21.911 -2.183 5.033 1.00 5.05 H new ATOM 0 HB2 ASN B 49 20.301 -4.795 4.761 1.00 4.80 H new ATOM 0 HB3 ASN B 49 21.930 -4.731 5.405 1.00 4.80 H new ATOM 0 HD21 ASN B 49 22.202 -3.580 7.484 1.00 4.62 H new ATOM 0 HD22 ASN B 49 20.804 -3.427 8.554 1.00 4.62 H new ATOM 1950 N GLY B 50 22.498 -2.263 2.476 1.00 5.30 N ATOM 1951 CA GLY B 50 23.294 -2.508 1.275 1.00 5.53 C ATOM 1952 C GLY B 50 22.481 -2.760 0.010 1.00 5.10 C ATOM 1953 O GLY B 50 23.038 -2.735 -1.088 1.00 5.29 O ATOM 0 H GLY B 50 22.333 -1.278 2.683 1.00 5.30 H new ATOM 0 HA2 GLY B 50 23.945 -1.650 1.107 1.00 5.53 H new ATOM 0 HA3 GLY B 50 23.939 -3.368 1.453 1.00 5.53 H new ATOM 1957 N LYS B 51 21.178 -2.997 0.147 1.00 4.57 N ATOM 1958 CA LYS B 51 20.323 -3.243 -1.017 1.00 4.17 C ATOM 1959 C LYS B 51 19.266 -2.153 -1.165 1.00 3.96 C ATOM 1960 O LYS B 51 18.639 -1.751 -0.189 1.00 3.78 O ATOM 1961 CB LYS B 51 19.634 -4.607 -0.897 1.00 3.78 C ATOM 1962 CG LYS B 51 20.508 -5.782 -1.320 1.00 4.06 C ATOM 1963 CD LYS B 51 21.593 -6.088 -0.297 1.00 4.39 C ATOM 1964 CE LYS B 51 21.006 -6.565 1.022 1.00 4.78 C ATOM 1965 NZ LYS B 51 22.060 -7.048 1.955 1.00 5.33 N ATOM 0 H LYS B 51 20.692 -3.024 1.044 1.00 4.57 H new ATOM 0 HA LYS B 51 20.960 -3.235 -1.901 1.00 4.17 H new ATOM 0 HB2 LYS B 51 19.320 -4.754 0.136 1.00 3.78 H new ATOM 0 HB3 LYS B 51 18.731 -4.601 -1.507 1.00 3.78 H new ATOM 0 HG2 LYS B 51 19.884 -6.665 -1.461 1.00 4.06 H new ATOM 0 HG3 LYS B 51 20.970 -5.561 -2.282 1.00 4.06 H new ATOM 0 HD2 LYS B 51 22.262 -6.851 -0.694 1.00 4.39 H new ATOM 0 HD3 LYS B 51 22.194 -5.195 -0.126 1.00 4.39 H new ATOM 0 HE2 LYS B 51 20.453 -5.750 1.489 1.00 4.78 H new ATOM 0 HE3 LYS B 51 20.293 -7.367 0.833 1.00 4.78 H new ATOM 0 HZ1 LYS B 51 21.671 -7.801 2.558 1.00 5.33 H new ATOM 0 HZ2 LYS B 51 22.863 -7.421 1.409 1.00 5.33 H new ATOM 0 HZ3 LYS B 51 22.383 -6.260 2.551 1.00 5.33 H new ATOM 1979 N GLU B 52 19.080 -1.680 -2.396 1.00 4.08 N ATOM 1980 CA GLU B 52 18.082 -0.653 -2.693 1.00 4.05 C ATOM 1981 C GLU B 52 16.923 -1.267 -3.477 1.00 3.71 C ATOM 1982 O GLU B 52 17.098 -2.269 -4.173 1.00 3.93 O ATOM 1983 CB GLU B 52 18.712 0.508 -3.476 1.00 4.59 C ATOM 1984 CG GLU B 52 19.364 0.095 -4.790 1.00 4.83 C ATOM 1985 CD GLU B 52 18.356 -0.327 -5.845 1.00 5.32 C ATOM 1986 OE1 GLU B 52 17.438 0.467 -6.143 1.00 5.79 O ATOM 1987 OE2 GLU B 52 18.487 -1.450 -6.375 1.00 5.49 O ATOM 0 H GLU B 52 19.611 -1.994 -3.209 1.00 4.08 H new ATOM 0 HA GLU B 52 17.699 -0.254 -1.754 1.00 4.05 H new ATOM 0 HB2 GLU B 52 17.942 1.251 -3.683 1.00 4.59 H new ATOM 0 HB3 GLU B 52 19.461 0.991 -2.848 1.00 4.59 H new ATOM 0 HG2 GLU B 52 19.956 0.926 -5.173 1.00 4.83 H new ATOM 0 HG3 GLU B 52 20.054 -0.728 -4.604 1.00 4.83 H new ATOM 1994 N GLY B 53 15.732 -0.672 -3.351 1.00 3.32 N ATOM 1995 CA GLY B 53 14.579 -1.170 -4.084 1.00 3.12 C ATOM 1996 C GLY B 53 13.323 -0.356 -3.829 1.00 3.18 C ATOM 1997 O GLY B 53 13.364 0.651 -3.122 1.00 3.35 O ATOM 0 H GLY B 53 15.549 0.138 -2.759 1.00 3.32 H new ATOM 0 HA2 GLY B 53 14.801 -1.162 -5.151 1.00 3.12 H new ATOM 0 HA3 GLY B 53 14.397 -2.208 -3.804 1.00 3.12 H new ATOM 2001 N VAL B 54 12.205 -0.800 -4.405 1.00 3.17 N ATOM 2002 CA VAL B 54 10.927 -0.105 -4.244 1.00 3.38 C ATOM 2003 C VAL B 54 9.947 -0.963 -3.455 1.00 3.02 C ATOM 2004 O VAL B 54 10.065 -2.188 -3.436 1.00 2.70 O ATOM 2005 CB VAL B 54 10.302 0.268 -5.605 1.00 3.83 C ATOM 2006 CG1 VAL B 54 11.211 1.221 -6.366 1.00 4.30 C ATOM 2007 CG2 VAL B 54 10.015 -0.979 -6.430 1.00 3.70 C ATOM 0 H VAL B 54 12.158 -1.637 -4.987 1.00 3.17 H new ATOM 0 HA VAL B 54 11.130 0.816 -3.697 1.00 3.38 H new ATOM 0 HB VAL B 54 9.354 0.773 -5.418 1.00 3.83 H new ATOM 0 HG11 VAL B 54 10.754 1.473 -7.323 1.00 4.30 H new ATOM 0 HG12 VAL B 54 11.355 2.130 -5.782 1.00 4.30 H new ATOM 0 HG13 VAL B 54 12.176 0.744 -6.539 1.00 4.30 H new ATOM 0 HG21 VAL B 54 9.575 -0.690 -7.385 1.00 3.70 H new ATOM 0 HG22 VAL B 54 10.945 -1.520 -6.608 1.00 3.70 H new ATOM 0 HG23 VAL B 54 9.320 -1.621 -5.889 1.00 3.70 H new ATOM 2017 N PHE B 55 8.980 -0.319 -2.795 1.00 3.13 N ATOM 2018 CA PHE B 55 7.997 -1.061 -2.017 1.00 2.90 C ATOM 2019 C PHE B 55 6.590 -0.469 -2.122 1.00 3.35 C ATOM 2020 O PHE B 55 6.409 0.750 -2.127 1.00 3.72 O ATOM 2021 CB PHE B 55 8.429 -1.115 -0.550 1.00 2.46 C ATOM 2022 CG PHE B 55 8.520 0.234 0.110 1.00 2.71 C ATOM 2023 CD1 PHE B 55 9.659 1.013 -0.028 1.00 3.05 C ATOM 2024 CD2 PHE B 55 7.468 0.722 0.871 1.00 2.88 C ATOM 2025 CE1 PHE B 55 9.747 2.251 0.579 1.00 3.42 C ATOM 2026 CE2 PHE B 55 7.551 1.960 1.481 1.00 3.20 C ATOM 2027 CZ PHE B 55 8.692 2.725 1.335 1.00 3.42 C ATOM 0 H PHE B 55 8.861 0.694 -2.786 1.00 3.13 H new ATOM 0 HA PHE B 55 7.953 -2.067 -2.433 1.00 2.90 H new ATOM 0 HB2 PHE B 55 7.722 -1.732 0.004 1.00 2.46 H new ATOM 0 HB3 PHE B 55 9.400 -1.606 -0.485 1.00 2.46 H new ATOM 0 HD1 PHE B 55 10.487 0.648 -0.617 1.00 3.05 H new ATOM 0 HD2 PHE B 55 6.574 0.128 0.988 1.00 2.88 H new ATOM 0 HE1 PHE B 55 10.640 2.848 0.463 1.00 3.42 H new ATOM 0 HE2 PHE B 55 6.725 2.329 2.071 1.00 3.20 H new ATOM 0 HZ PHE B 55 8.759 3.692 1.811 1.00 3.42 H new ATOM 2037 N PRO B 56 5.575 -1.353 -2.211 1.00 3.43 N ATOM 2038 CA PRO B 56 4.167 -0.987 -2.277 1.00 3.90 C ATOM 2039 C PRO B 56 3.540 -1.014 -0.890 1.00 3.87 C ATOM 2040 O PRO B 56 4.186 -1.392 0.087 1.00 3.45 O ATOM 2041 CB PRO B 56 3.581 -2.089 -3.149 1.00 3.97 C ATOM 2042 CG PRO B 56 4.401 -3.302 -2.833 1.00 3.68 C ATOM 2043 CD PRO B 56 5.728 -2.818 -2.284 1.00 3.17 C ATOM 0 HA PRO B 56 3.995 0.017 -2.665 1.00 3.90 H new ATOM 0 HB2 PRO B 56 2.527 -2.254 -2.924 1.00 3.97 H new ATOM 0 HB3 PRO B 56 3.645 -1.833 -4.207 1.00 3.97 H new ATOM 0 HG2 PRO B 56 3.890 -3.932 -2.105 1.00 3.68 H new ATOM 0 HG3 PRO B 56 4.553 -3.907 -3.727 1.00 3.68 H new ATOM 0 HD2 PRO B 56 5.934 -3.247 -1.303 1.00 3.17 H new ATOM 0 HD3 PRO B 56 6.555 -3.100 -2.935 1.00 3.17 H new ATOM 2051 N ASP B 57 2.273 -0.586 -0.822 1.00 4.36 N ATOM 2052 CA ASP B 57 1.495 -0.627 0.416 1.00 4.47 C ATOM 2053 C ASP B 57 1.784 0.503 1.392 1.00 4.41 C ATOM 2054 O ASP B 57 1.010 0.706 2.328 1.00 4.40 O ATOM 2055 CB ASP B 57 1.728 -1.958 1.135 1.00 5.09 C ATOM 2056 CG ASP B 57 1.551 -3.155 0.218 1.00 5.56 C ATOM 2057 OD1 ASP B 57 0.406 -3.410 -0.212 1.00 5.85 O ATOM 2058 OD2 ASP B 57 2.557 -3.836 -0.070 1.00 5.83 O ATOM 0 H ASP B 57 1.764 -0.205 -1.619 1.00 4.36 H new ATOM 0 HA ASP B 57 0.458 -0.510 0.101 1.00 4.47 H new ATOM 0 HB2 ASP B 57 2.735 -1.970 1.552 1.00 5.09 H new ATOM 0 HB3 ASP B 57 1.035 -2.041 1.972 1.00 5.09 H new ATOM 2063 N ASN B 58 2.868 1.241 1.205 1.00 4.46 N ATOM 2064 CA ASN B 58 3.226 2.308 2.133 1.00 4.51 C ATOM 2065 C ASN B 58 3.368 1.721 3.535 1.00 3.97 C ATOM 2066 O ASN B 58 2.485 1.867 4.382 1.00 4.05 O ATOM 2067 CB ASN B 58 2.179 3.430 2.116 1.00 4.96 C ATOM 2068 CG ASN B 58 2.587 4.616 2.971 1.00 5.23 C ATOM 2069 OD1 ASN B 58 3.888 4.877 3.047 1.00 5.40 O flip ATOM 2070 ND2 ASN B 58 1.742 5.294 3.554 1.00 5.67 N flip ATOM 0 H ASN B 58 3.513 1.123 0.424 1.00 4.46 H new ATOM 0 HA ASN B 58 4.175 2.746 1.825 1.00 4.51 H new ATOM 0 HB2 ASN B 58 2.023 3.762 1.090 1.00 4.96 H new ATOM 0 HB3 ASN B 58 1.226 3.039 2.473 1.00 4.96 H new ATOM 0 HD21 ASN B 58 0.753 5.060 3.469 1.00 5.67 H new ATOM 0 HD22 ASN B 58 2.031 6.091 4.122 1.00 5.67 H new ATOM 2077 N PHE B 59 4.494 1.050 3.760 1.00 3.50 N ATOM 2078 CA PHE B 59 4.766 0.401 5.038 1.00 3.01 C ATOM 2079 C PHE B 59 5.722 1.216 5.898 1.00 2.75 C ATOM 2080 O PHE B 59 6.150 0.753 6.954 1.00 2.44 O ATOM 2081 CB PHE B 59 5.365 -0.990 4.803 1.00 2.72 C ATOM 2082 CG PHE B 59 4.368 -2.025 4.361 1.00 3.03 C ATOM 2083 CD1 PHE B 59 3.185 -2.210 5.059 1.00 3.42 C ATOM 2084 CD2 PHE B 59 4.621 -2.824 3.256 1.00 3.42 C ATOM 2085 CE1 PHE B 59 2.273 -3.171 4.664 1.00 3.79 C ATOM 2086 CE2 PHE B 59 3.711 -3.785 2.856 1.00 3.86 C ATOM 2087 CZ PHE B 59 2.537 -3.959 3.562 1.00 3.89 C ATOM 0 H PHE B 59 5.237 0.941 3.069 1.00 3.50 H new ATOM 0 HA PHE B 59 3.817 0.318 5.568 1.00 3.01 H new ATOM 0 HB2 PHE B 59 6.149 -0.913 4.050 1.00 2.72 H new ATOM 0 HB3 PHE B 59 5.839 -1.329 5.724 1.00 2.72 H new ATOM 0 HD1 PHE B 59 2.973 -1.596 5.922 1.00 3.42 H new ATOM 0 HD2 PHE B 59 5.539 -2.694 2.702 1.00 3.42 H new ATOM 0 HE1 PHE B 59 1.355 -3.305 5.217 1.00 3.79 H new ATOM 0 HE2 PHE B 59 3.918 -4.399 1.992 1.00 3.86 H new ATOM 0 HZ PHE B 59 1.826 -4.711 3.252 1.00 3.89 H new ATOM 2097 N ALA B 60 6.064 2.424 5.456 1.00 3.02 N ATOM 2098 CA ALA B 60 6.991 3.260 6.210 1.00 3.01 C ATOM 2099 C ALA B 60 6.542 4.718 6.274 1.00 3.51 C ATOM 2100 O ALA B 60 6.061 5.274 5.285 1.00 3.89 O ATOM 2101 CB ALA B 60 8.382 3.161 5.604 1.00 2.92 C ATOM 0 H ALA B 60 5.718 2.840 4.592 1.00 3.02 H new ATOM 0 HA ALA B 60 7.008 2.889 7.235 1.00 3.01 H new ATOM 0 HB1 ALA B 60 9.071 3.787 6.171 1.00 2.92 H new ATOM 0 HB2 ALA B 60 8.721 2.126 5.638 1.00 2.92 H new ATOM 0 HB3 ALA B 60 8.353 3.499 4.568 1.00 2.92 H new ATOM 2107 N VAL B 61 6.704 5.324 7.448 1.00 3.59 N ATOM 2108 CA VAL B 61 6.321 6.717 7.660 1.00 4.08 C ATOM 2109 C VAL B 61 7.542 7.593 7.936 1.00 4.32 C ATOM 2110 O VAL B 61 8.377 7.254 8.776 1.00 4.19 O ATOM 2111 CB VAL B 61 5.317 6.852 8.828 1.00 4.13 C ATOM 2112 CG1 VAL B 61 5.907 6.302 10.121 1.00 3.91 C ATOM 2113 CG2 VAL B 61 4.885 8.302 9.004 1.00 4.64 C ATOM 0 H VAL B 61 7.100 4.869 8.271 1.00 3.59 H new ATOM 0 HA VAL B 61 5.843 7.058 6.742 1.00 4.08 H new ATOM 0 HB VAL B 61 4.434 6.261 8.583 1.00 4.13 H new ATOM 0 HG11 VAL B 61 5.181 6.409 10.927 1.00 3.91 H new ATOM 0 HG12 VAL B 61 6.151 5.248 9.990 1.00 3.91 H new ATOM 0 HG13 VAL B 61 6.812 6.855 10.372 1.00 3.91 H new ATOM 0 HG21 VAL B 61 4.179 8.373 9.831 1.00 4.64 H new ATOM 0 HG22 VAL B 61 5.758 8.918 9.218 1.00 4.64 H new ATOM 0 HG23 VAL B 61 4.409 8.653 8.089 1.00 4.64 H new ATOM 2123 N GLN B 62 7.649 8.719 7.221 1.00 4.79 N ATOM 2124 CA GLN B 62 8.775 9.632 7.401 1.00 5.14 C ATOM 2125 C GLN B 62 8.902 10.067 8.859 1.00 5.36 C ATOM 2126 O GLN B 62 7.931 10.513 9.473 1.00 5.56 O ATOM 2127 CB GLN B 62 8.620 10.862 6.501 1.00 5.63 C ATOM 2128 CG GLN B 62 9.843 11.767 6.498 1.00 6.02 C ATOM 2129 CD GLN B 62 9.670 12.983 5.610 1.00 6.30 C ATOM 2130 OE1 GLN B 62 9.215 14.036 6.059 1.00 6.28 O ATOM 2131 NE2 GLN B 62 10.032 12.845 4.340 1.00 6.72 N ATOM 0 H GLN B 62 6.972 9.015 6.518 1.00 4.79 H new ATOM 0 HA GLN B 62 9.683 9.099 7.120 1.00 5.14 H new ATOM 0 HB2 GLN B 62 8.418 10.534 5.481 1.00 5.63 H new ATOM 0 HB3 GLN B 62 7.753 11.436 6.829 1.00 5.63 H new ATOM 0 HG2 GLN B 62 10.051 12.093 7.517 1.00 6.02 H new ATOM 0 HG3 GLN B 62 10.710 11.198 6.163 1.00 6.02 H new ATOM 0 HE21 GLN B 62 10.404 11.955 4.010 1.00 6.72 H new ATOM 0 HE22 GLN B 62 9.938 13.629 3.695 1.00 6.72 H new ATOM 2140 N ILE B 63 10.109 9.931 9.405 1.00 5.39 N ATOM 2141 CA ILE B 63 10.386 10.316 10.785 1.00 5.68 C ATOM 2142 C ILE B 63 10.795 11.785 10.855 1.00 6.23 C ATOM 2143 O ILE B 63 10.128 12.596 11.498 1.00 6.54 O ATOM 2144 CB ILE B 63 11.510 9.451 11.397 1.00 5.55 C ATOM 2145 CG1 ILE B 63 11.124 7.968 11.360 1.00 5.23 C ATOM 2146 CG2 ILE B 63 11.808 9.891 12.826 1.00 5.71 C ATOM 2147 CD1 ILE B 63 12.254 7.038 11.751 1.00 5.25 C ATOM 0 H ILE B 63 10.915 9.554 8.907 1.00 5.39 H new ATOM 0 HA ILE B 63 9.471 10.159 11.357 1.00 5.68 H new ATOM 0 HB ILE B 63 12.413 9.588 10.802 1.00 5.55 H new ATOM 0 HG12 ILE B 63 10.281 7.804 12.031 1.00 5.23 H new ATOM 0 HG13 ILE B 63 10.786 7.714 10.355 1.00 5.23 H new ATOM 0 HG21 ILE B 63 12.602 9.270 13.240 1.00 5.71 H new ATOM 0 HG22 ILE B 63 12.125 10.934 12.827 1.00 5.71 H new ATOM 0 HG23 ILE B 63 10.910 9.784 13.434 1.00 5.71 H new ATOM 0 HD11 ILE B 63 11.909 6.005 11.702 1.00 5.25 H new ATOM 0 HD12 ILE B 63 13.091 7.174 11.066 1.00 5.25 H new ATOM 0 HD13 ILE B 63 12.577 7.265 12.767 1.00 5.25 H new ATOM 2159 N SER B 64 11.895 12.117 10.181 1.00 6.41 N ATOM 2160 CA SER B 64 12.401 13.485 10.156 1.00 6.97 C ATOM 2161 C SER B 64 11.633 14.326 9.138 1.00 7.20 C ATOM 2162 O SER B 64 11.932 14.217 7.930 1.00 7.43 O ATOM 2163 CB SER B 64 13.898 13.493 9.830 1.00 7.23 C ATOM 2164 OG SER B 64 14.632 12.751 10.789 1.00 7.19 O ATOM 2165 OXT SER B 64 10.736 15.086 9.558 1.00 7.37 O ATOM 0 H SER B 64 12.453 11.454 9.644 1.00 6.41 H new ATOM 0 HA SER B 64 12.255 13.923 11.144 1.00 6.97 H new ATOM 0 HB2 SER B 64 14.060 13.072 8.838 1.00 7.23 H new ATOM 0 HB3 SER B 64 14.262 14.520 9.803 1.00 7.23 H new ATOM 0 HG SER B 64 15.584 12.770 10.558 1.00 7.19 H new TER 2171 SER B 64