USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1272 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 107 ASN :FLIP amide:sc= -1.41 F(o=-9.1!,f=-2) USER MOD Set 1.2: A 112 THR OG1 : rot 43:sc= -0.578 USER MOD Set 2.1: A 17 GLN : amide:sc= -2.65! C(o=-3!,f=-5.2!) USER MOD Set 2.2: A 93 THR OG1 : rot -120:sc= -0.311 USER MOD Set 3.1: A 79 GLN : amide:sc= -6.12! C(o=-6.5!,f=-7.8!) USER MOD Set 3.2: A 80 GLN :FLIP amide:sc= -0.346 F(o=-7.8,f=-6.5) USER MOD Set 4.1: A 31 SER OG : rot 180:sc= -1.3 USER MOD Set 4.2: A 62 THR OG1 : rot -164:sc= 0.148 USER MOD Set 5.1: A 48 GLN : amide:sc= -6.1! C(o=-6.4!,f=-8!) USER MOD Set 5.2: A 50 GLN :FLIP amide:sc= -0.3 F(o=-9.5!,f=-6.4) USER MOD Set 5.3: A 53 TYR OH : rot 180:sc=-0.00274 USER MOD Set 6.1: A 40 TYR OH : rot -19:sc= -4.94! USER MOD Set 6.2: A 55 ASN : amide:sc= -1.34 K(o=-6.3,f=-11!) USER MOD Set 6.3: A 124 MET CE :methyl 172:sc=-0.00661 (180deg=-0.0292) USER MOD Set 7.1: A 37 SER OG : rot 180:sc= -1.5! USER MOD Set 7.2: A 38 SER OG : rot -50:sc= -2.55! USER MOD Single : A 1 THR N :NH3+ 145:sc= 0.41 (180deg=0.15) USER MOD Single : A 1 THR OG1 : rot 150:sc= -0.749 USER MOD Single : A 4 TYR OH : rot 153:sc= 1.07 USER MOD Single : A 9 SER OG : rot 65:sc= -1.32 USER MOD Single : A 10 ASN :FLIP amide:sc= -7.17! C(o=-11!,f=-7.2!) USER MOD Single : A 13 SER OG : rot 14:sc= 0.7 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.75 F(o=-2.6!,f=-0.75) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.0318 (180deg=-0.257) USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.178 F(o=-1.5,f=-0.18) USER MOD Single : A 35 THR OG1 : rot 180:sc= -3.02! USER MOD Single : A 42 THR OG1 : rot -24:sc= 0.143 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.8! X(o=-1.8!,f=-1.4) USER MOD Single : A 72 HIS : no HE2:sc= -0.661 K(o=-0.66,f=-1.6) USER MOD Single : A 73 THR OG1 : rot 163:sc= -4.74! USER MOD Single : A 74 GLN :FLIP amide:sc= -0.5 F(o=-3.4!,f=-0.5) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 171:sc= -1.25 (180deg=-1.33) USER MOD Single : A 103 ASN :FLIP amide:sc= -2.01! C(o=-4.2!,f=-2!) USER MOD Single : A 108 THR OG1 : rot 122:sc= -0.338 USER MOD Single : A 115 HIS : no HD1:sc= -5.4! C(o=-5.4!,f=-6.9!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -124:sc= -3.68! (180deg=-6.47!) USER MOD Single : A 119 LYS NZ :NH3+ -167:sc= -0.0413 (180deg=-0.258) USER MOD Single : A 120 ASN :FLIP amide:sc= -1.04 F(o=-3.1!,f=-1) USER MOD Single : A 142 MET CE :methyl -166:sc= -0.0393 (180deg=-0.272) USER MOD Single : A 145 GLN :FLIP amide:sc= -1.07 F(o=-3.6!,f=-1.1) USER MOD Single : A 148 HIS : no HD1:sc= -0.982 X(o=-0.98,f=-1.3) USER MOD Single : A 149 THR OG1 : rot -99:sc= 0.964 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.5) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.217 -9.247 -13.859 1.00 0.82 N ATOM 2 CA THR A 1 2.779 -9.526 -13.618 1.00 0.59 C ATOM 3 C THR A 1 2.132 -8.410 -12.805 1.00 0.52 C ATOM 4 O THR A 1 2.816 -7.675 -12.090 1.00 0.52 O ATOM 5 CB THR A 1 2.661 -10.856 -12.870 1.00 0.64 C ATOM 6 OG1 THR A 1 1.316 -11.299 -12.849 1.00 0.92 O ATOM 7 CG2 THR A 1 3.139 -10.784 -11.432 1.00 0.62 C ATOM 0 H1 THR A 1 4.750 -10.140 -13.849 1.00 0.82 H new ATOM 0 H2 THR A 1 4.331 -8.786 -14.784 1.00 0.82 H new ATOM 0 H3 THR A 1 4.579 -8.619 -13.113 1.00 0.82 H new ATOM 0 HA THR A 1 2.259 -9.583 -14.574 1.00 0.59 H new ATOM 0 HB THR A 1 3.302 -11.550 -13.415 1.00 0.64 H new ATOM 0 HG1 THR A 1 1.295 -12.279 -12.828 1.00 0.92 H new ATOM 0 HG21 THR A 1 3.027 -11.761 -10.962 1.00 0.62 H new ATOM 0 HG22 THR A 1 4.188 -10.490 -11.412 1.00 0.62 H new ATOM 0 HG23 THR A 1 2.546 -10.049 -10.888 1.00 0.62 H new ATOM 17 N VAL A 2 0.813 -8.291 -12.914 1.00 0.54 N ATOM 18 CA VAL A 2 0.085 -7.268 -12.179 1.00 0.54 C ATOM 19 C VAL A 2 0.143 -7.539 -10.681 1.00 0.44 C ATOM 20 O VAL A 2 -0.560 -8.404 -10.160 1.00 0.45 O ATOM 21 CB VAL A 2 -1.387 -7.184 -12.639 1.00 0.65 C ATOM 22 CG1 VAL A 2 -2.058 -8.550 -12.580 1.00 1.49 C ATOM 23 CG2 VAL A 2 -2.156 -6.170 -11.802 1.00 1.42 C ATOM 0 H VAL A 2 0.231 -8.888 -13.501 1.00 0.54 H new ATOM 0 HA VAL A 2 0.565 -6.312 -12.388 1.00 0.54 H new ATOM 0 HB VAL A 2 -1.396 -6.850 -13.676 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -3.093 -8.461 -12.909 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -1.528 -9.244 -13.232 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -2.034 -8.923 -11.556 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -3.190 -6.127 -12.143 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -2.131 -6.470 -10.754 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -1.697 -5.187 -11.909 1.00 1.42 H new ATOM 33 N ALA A 3 0.994 -6.791 -9.991 1.00 0.43 N ATOM 34 CA ALA A 3 1.154 -6.948 -8.554 1.00 0.40 C ATOM 35 C ALA A 3 0.526 -5.779 -7.811 1.00 0.33 C ATOM 36 O ALA A 3 0.648 -4.626 -8.232 1.00 0.37 O ATOM 37 CB ALA A 3 2.625 -7.079 -8.199 1.00 0.48 C ATOM 0 H ALA A 3 1.584 -6.069 -10.405 1.00 0.43 H new ATOM 0 HA ALA A 3 0.640 -7.859 -8.248 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.730 -7.196 -7.120 1.00 0.48 H new ATOM 0 HB2 ALA A 3 3.044 -7.951 -8.701 1.00 0.48 H new ATOM 0 HB3 ALA A 3 3.158 -6.184 -8.521 1.00 0.48 H new ATOM 43 N TYR A 4 -0.153 -6.082 -6.708 1.00 0.38 N ATOM 44 CA TYR A 4 -0.807 -5.042 -5.923 1.00 0.48 C ATOM 45 C TYR A 4 0.078 -4.547 -4.790 1.00 0.46 C ATOM 46 O TYR A 4 0.234 -5.222 -3.777 1.00 0.72 O ATOM 47 CB TYR A 4 -2.128 -5.535 -5.339 1.00 0.79 C ATOM 48 CG TYR A 4 -2.884 -4.449 -4.598 1.00 2.03 C ATOM 49 CD1 TYR A 4 -2.982 -3.164 -5.113 1.00 3.01 C ATOM 50 CD2 TYR A 4 -3.515 -4.718 -3.388 1.00 2.70 C ATOM 51 CE1 TYR A 4 -3.685 -2.179 -4.447 1.00 4.21 C ATOM 52 CE2 TYR A 4 -4.219 -3.737 -2.714 1.00 3.83 C ATOM 53 CZ TYR A 4 -4.240 -2.443 -3.228 1.00 4.50 C ATOM 54 OH TYR A 4 -5.005 -1.493 -2.583 1.00 5.73 O ATOM 0 H TYR A 4 -0.264 -7.027 -6.342 1.00 0.38 H new ATOM 0 HA TYR A 4 -0.999 -4.216 -6.608 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -2.753 -5.923 -6.143 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -1.933 -6.364 -4.659 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -2.500 -2.930 -6.051 1.00 3.01 H new ATOM 0 HD2 TYR A 4 -3.454 -5.711 -2.967 1.00 2.70 H new ATOM 0 HE1 TYR A 4 -3.796 -1.200 -4.890 1.00 4.21 H new ATOM 0 HE2 TYR A 4 -4.746 -3.971 -1.801 1.00 3.83 H new ATOM 0 HH TYR A 4 -5.648 -1.937 -1.992 1.00 5.73 H new ATOM 64 N ILE A 5 0.640 -3.362 -4.982 1.00 0.40 N ATOM 65 CA ILE A 5 1.512 -2.729 -4.002 1.00 0.45 C ATOM 66 C ILE A 5 0.771 -1.615 -3.258 1.00 0.44 C ATOM 67 O ILE A 5 0.203 -0.715 -3.881 1.00 0.57 O ATOM 68 CB ILE A 5 2.747 -2.122 -4.696 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.948 -2.781 -6.068 1.00 0.52 C ATOM 70 CG2 ILE A 5 3.983 -2.292 -3.821 1.00 0.93 C ATOM 71 CD1 ILE A 5 4.175 -2.301 -6.813 1.00 0.79 C ATOM 0 H ILE A 5 0.503 -2.809 -5.828 1.00 0.40 H new ATOM 0 HA ILE A 5 1.826 -3.494 -3.292 1.00 0.45 H new ATOM 0 HB ILE A 5 2.586 -1.054 -4.845 1.00 0.55 H new ATOM 0 HG12 ILE A 5 3.018 -3.860 -5.933 1.00 0.52 H new ATOM 0 HG13 ILE A 5 2.067 -2.592 -6.682 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.847 -1.859 -4.324 1.00 0.93 H new ATOM 0 HG22 ILE A 5 3.827 -1.786 -2.868 1.00 0.93 H new ATOM 0 HG23 ILE A 5 4.160 -3.353 -3.644 1.00 0.93 H new ATOM 0 HD11 ILE A 5 4.243 -2.816 -7.771 1.00 0.79 H new ATOM 0 HD12 ILE A 5 4.101 -1.227 -6.982 1.00 0.79 H new ATOM 0 HD13 ILE A 5 5.066 -2.515 -6.222 1.00 0.79 H new ATOM 83 N ALA A 6 0.771 -1.679 -1.931 1.00 0.48 N ATOM 84 CA ALA A 6 0.092 -0.670 -1.119 1.00 0.51 C ATOM 85 C ALA A 6 1.031 0.479 -0.759 1.00 0.46 C ATOM 86 O ALA A 6 2.227 0.271 -0.545 1.00 0.58 O ATOM 87 CB ALA A 6 -0.469 -1.303 0.142 1.00 0.71 C ATOM 0 H ALA A 6 1.231 -2.415 -1.395 1.00 0.48 H new ATOM 0 HA ALA A 6 -0.728 -0.261 -1.709 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -0.972 -0.542 0.738 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -1.182 -2.082 -0.128 1.00 0.71 H new ATOM 0 HB3 ALA A 6 0.344 -1.740 0.722 1.00 0.71 H new ATOM 93 N ILE A 7 0.478 1.691 -0.690 1.00 0.44 N ATOM 94 CA ILE A 7 1.259 2.880 -0.355 1.00 0.43 C ATOM 95 C ILE A 7 0.602 3.688 0.761 1.00 0.49 C ATOM 96 O ILE A 7 -0.357 4.421 0.525 1.00 0.58 O ATOM 97 CB ILE A 7 1.449 3.792 -1.586 1.00 0.47 C ATOM 98 CG1 ILE A 7 2.218 3.048 -2.678 1.00 1.19 C ATOM 99 CG2 ILE A 7 2.176 5.073 -1.197 1.00 1.41 C ATOM 100 CD1 ILE A 7 3.578 2.565 -2.229 1.00 1.42 C ATOM 0 H ILE A 7 -0.511 1.874 -0.862 1.00 0.44 H new ATOM 0 HA ILE A 7 2.232 2.526 -0.014 1.00 0.43 H new ATOM 0 HB ILE A 7 0.467 4.063 -1.974 1.00 0.47 H new ATOM 0 HG12 ILE A 7 1.628 2.194 -3.010 1.00 1.19 H new ATOM 0 HG13 ILE A 7 2.340 3.705 -3.539 1.00 1.19 H new ATOM 0 HG21 ILE A 7 2.300 5.703 -2.078 1.00 1.41 H new ATOM 0 HG22 ILE A 7 1.593 5.609 -0.447 1.00 1.41 H new ATOM 0 HG23 ILE A 7 3.155 4.825 -0.787 1.00 1.41 H new ATOM 0 HD11 ILE A 7 4.070 2.046 -3.052 1.00 1.42 H new ATOM 0 HD12 ILE A 7 4.185 3.418 -1.924 1.00 1.42 H new ATOM 0 HD13 ILE A 7 3.462 1.883 -1.387 1.00 1.42 H new ATOM 112 N GLY A 8 1.133 3.554 1.972 1.00 0.57 N ATOM 113 CA GLY A 8 0.594 4.279 3.108 1.00 0.69 C ATOM 114 C GLY A 8 1.609 5.218 3.736 1.00 0.68 C ATOM 115 O GLY A 8 2.630 4.776 4.260 1.00 0.77 O ATOM 0 H GLY A 8 1.929 2.954 2.187 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.277 4.852 2.789 1.00 0.69 H new ATOM 0 HA3 GLY A 8 0.250 3.567 3.858 1.00 0.69 H new ATOM 119 N SER A 9 1.325 6.516 3.679 1.00 0.70 N ATOM 120 CA SER A 9 2.216 7.526 4.244 1.00 0.75 C ATOM 121 C SER A 9 1.487 8.361 5.294 1.00 0.87 C ATOM 122 O SER A 9 0.281 8.214 5.479 1.00 0.92 O ATOM 123 CB SER A 9 2.752 8.431 3.138 1.00 0.76 C ATOM 124 OG SER A 9 3.395 7.675 2.126 1.00 1.67 O ATOM 0 H SER A 9 0.483 6.894 3.246 1.00 0.70 H new ATOM 0 HA SER A 9 3.052 7.017 4.725 1.00 0.75 H new ATOM 0 HB2 SER A 9 1.933 9.003 2.703 1.00 0.76 H new ATOM 0 HB3 SER A 9 3.454 9.150 3.560 1.00 0.76 H new ATOM 0 HG SER A 9 2.738 7.101 1.679 1.00 1.67 H new ATOM 130 N ASN A 10 2.223 9.232 5.982 1.00 1.03 N ATOM 131 CA ASN A 10 1.625 10.079 7.012 1.00 1.23 C ATOM 132 C ASN A 10 2.173 11.508 6.930 1.00 1.30 C ATOM 133 O ASN A 10 2.606 11.950 5.867 1.00 2.00 O ATOM 134 CB ASN A 10 1.887 9.477 8.396 1.00 1.55 C ATOM 135 CG ASN A 10 0.925 9.981 9.458 1.00 2.18 C ATOM 136 OD1 ASN A 10 -0.029 10.817 9.058 1.00 2.66 O flip ATOM 137 ND2 ASN A 10 1.033 9.616 10.629 1.00 3.02 N flip ATOM 0 H ASN A 10 3.225 9.369 5.847 1.00 1.03 H new ATOM 0 HA ASN A 10 0.549 10.125 6.845 1.00 1.23 H new ATOM 0 HB2 ASN A 10 1.813 8.391 8.333 1.00 1.55 H new ATOM 0 HB3 ASN A 10 2.908 9.710 8.699 1.00 1.55 H new ATOM 0 HD21 ASN A 10 1.779 8.973 10.896 1.00 3.02 H new ATOM 0 HD22 ASN A 10 0.377 9.956 11.332 1.00 3.02 H new ATOM 144 N LEU A 11 2.136 12.231 8.057 1.00 1.21 N ATOM 145 CA LEU A 11 2.615 13.612 8.112 1.00 1.31 C ATOM 146 C LEU A 11 1.763 14.528 7.240 1.00 1.49 C ATOM 147 O LEU A 11 0.990 14.063 6.404 1.00 1.96 O ATOM 148 CB LEU A 11 4.081 13.710 7.672 1.00 1.36 C ATOM 149 CG LEU A 11 5.109 13.136 8.653 1.00 1.66 C ATOM 150 CD1 LEU A 11 6.518 13.388 8.143 1.00 2.11 C ATOM 151 CD2 LEU A 11 4.930 13.748 10.034 1.00 2.45 C ATOM 0 H LEU A 11 1.777 11.878 8.944 1.00 1.21 H new ATOM 0 HA LEU A 11 2.534 13.936 9.150 1.00 1.31 H new ATOM 0 HB2 LEU A 11 4.190 13.195 6.718 1.00 1.36 H new ATOM 0 HB3 LEU A 11 4.319 14.759 7.497 1.00 1.36 H new ATOM 0 HG LEU A 11 4.951 12.060 8.730 1.00 1.66 H new ATOM 0 HD11 LEU A 11 7.239 12.976 8.848 1.00 2.11 H new ATOM 0 HD12 LEU A 11 6.645 12.909 7.172 1.00 2.11 H new ATOM 0 HD13 LEU A 11 6.682 14.461 8.042 1.00 2.11 H new ATOM 0 HD21 LEU A 11 5.669 13.328 10.717 1.00 2.45 H new ATOM 0 HD22 LEU A 11 5.064 14.828 9.974 1.00 2.45 H new ATOM 0 HD23 LEU A 11 3.928 13.527 10.403 1.00 2.45 H new ATOM 163 N ALA A 12 1.917 15.836 7.436 1.00 1.57 N ATOM 164 CA ALA A 12 1.169 16.817 6.658 1.00 1.79 C ATOM 165 C ALA A 12 1.522 16.700 5.183 1.00 1.71 C ATOM 166 O ALA A 12 2.692 16.547 4.831 1.00 2.29 O ATOM 167 CB ALA A 12 1.453 18.223 7.164 1.00 2.08 C ATOM 0 H ALA A 12 2.552 16.239 8.125 1.00 1.57 H new ATOM 0 HA ALA A 12 0.104 16.617 6.776 1.00 1.79 H new ATOM 0 HB1 ALA A 12 0.887 18.943 6.573 1.00 2.08 H new ATOM 0 HB2 ALA A 12 1.157 18.300 8.210 1.00 2.08 H new ATOM 0 HB3 ALA A 12 2.518 18.435 7.072 1.00 2.08 H new ATOM 173 N SER A 13 0.505 16.756 4.325 1.00 1.54 N ATOM 174 CA SER A 13 0.710 16.637 2.885 1.00 1.42 C ATOM 175 C SER A 13 1.650 15.472 2.578 1.00 1.10 C ATOM 176 O SER A 13 2.760 15.670 2.083 1.00 1.17 O ATOM 177 CB SER A 13 1.274 17.941 2.311 1.00 1.72 C ATOM 178 OG SER A 13 2.518 18.269 2.904 1.00 2.45 O ATOM 0 H SER A 13 -0.468 16.883 4.603 1.00 1.54 H new ATOM 0 HA SER A 13 -0.254 16.442 2.415 1.00 1.42 H new ATOM 0 HB2 SER A 13 1.398 17.843 1.233 1.00 1.72 H new ATOM 0 HB3 SER A 13 0.564 18.751 2.478 1.00 1.72 H new ATOM 0 HG SER A 13 2.864 17.491 3.389 1.00 2.45 H new ATOM 184 N PRO A 14 1.219 14.234 2.888 1.00 0.96 N ATOM 185 CA PRO A 14 2.030 13.032 2.659 1.00 0.92 C ATOM 186 C PRO A 14 2.469 12.881 1.209 1.00 0.86 C ATOM 187 O PRO A 14 3.353 12.085 0.908 1.00 0.90 O ATOM 188 CB PRO A 14 1.093 11.883 3.046 1.00 1.18 C ATOM 189 CG PRO A 14 0.094 12.495 3.965 1.00 1.23 C ATOM 190 CD PRO A 14 -0.087 13.909 3.492 1.00 1.14 C ATOM 0 HA PRO A 14 2.956 13.064 3.234 1.00 0.92 H new ATOM 0 HB2 PRO A 14 0.611 11.454 2.168 1.00 1.18 H new ATOM 0 HB3 PRO A 14 1.638 11.077 3.536 1.00 1.18 H new ATOM 0 HG2 PRO A 14 -0.849 11.950 3.936 1.00 1.23 H new ATOM 0 HG3 PRO A 14 0.445 12.470 4.997 1.00 1.23 H new ATOM 0 HD2 PRO A 14 -0.897 13.990 2.767 1.00 1.14 H new ATOM 0 HD3 PRO A 14 -0.328 14.581 4.316 1.00 1.14 H new ATOM 198 N LEU A 15 1.843 13.641 0.317 1.00 0.89 N ATOM 199 CA LEU A 15 2.161 13.580 -1.108 1.00 0.90 C ATOM 200 C LEU A 15 3.669 13.623 -1.360 1.00 0.84 C ATOM 201 O LEU A 15 4.145 13.122 -2.377 1.00 0.84 O ATOM 202 CB LEU A 15 1.477 14.731 -1.851 1.00 1.07 C ATOM 203 CG LEU A 15 1.691 14.746 -3.367 1.00 1.33 C ATOM 204 CD1 LEU A 15 1.138 13.478 -3.999 1.00 1.67 C ATOM 205 CD2 LEU A 15 1.045 15.978 -3.981 1.00 1.72 C ATOM 0 H LEU A 15 1.110 14.309 0.555 1.00 0.89 H new ATOM 0 HA LEU A 15 1.788 12.628 -1.485 1.00 0.90 H new ATOM 0 HB2 LEU A 15 0.406 14.686 -1.652 1.00 1.07 H new ATOM 0 HB3 LEU A 15 1.838 15.674 -1.440 1.00 1.07 H new ATOM 0 HG LEU A 15 2.762 14.784 -3.564 1.00 1.33 H new ATOM 0 HD11 LEU A 15 1.300 13.508 -5.076 1.00 1.67 H new ATOM 0 HD12 LEU A 15 1.647 12.610 -3.580 1.00 1.67 H new ATOM 0 HD13 LEU A 15 0.070 13.406 -3.794 1.00 1.67 H new ATOM 0 HD21 LEU A 15 1.206 15.974 -5.059 1.00 1.72 H new ATOM 0 HD22 LEU A 15 -0.025 15.969 -3.774 1.00 1.72 H new ATOM 0 HD23 LEU A 15 1.491 16.875 -3.551 1.00 1.72 H new ATOM 217 N GLU A 16 4.416 14.218 -0.435 1.00 0.86 N ATOM 218 CA GLU A 16 5.866 14.315 -0.578 1.00 0.88 C ATOM 219 C GLU A 16 6.522 12.938 -0.482 1.00 0.76 C ATOM 220 O GLU A 16 7.154 12.469 -1.432 1.00 0.75 O ATOM 221 CB GLU A 16 6.444 15.240 0.496 1.00 1.05 C ATOM 222 CG GLU A 16 5.889 16.654 0.445 1.00 1.40 C ATOM 223 CD GLU A 16 6.439 17.535 1.549 1.00 1.82 C ATOM 224 OE1 GLU A 16 7.672 17.724 1.600 1.00 2.49 O ATOM 225 OE2 GLU A 16 5.636 18.038 2.363 1.00 2.16 O ATOM 0 H GLU A 16 4.045 14.638 0.417 1.00 0.86 H new ATOM 0 HA GLU A 16 6.079 14.730 -1.563 1.00 0.88 H new ATOM 0 HB2 GLU A 16 6.240 14.814 1.478 1.00 1.05 H new ATOM 0 HB3 GLU A 16 7.528 15.280 0.384 1.00 1.05 H new ATOM 0 HG2 GLU A 16 6.125 17.099 -0.522 1.00 1.40 H new ATOM 0 HG3 GLU A 16 4.802 16.617 0.522 1.00 1.40 H new ATOM 232 N GLN A 17 6.370 12.291 0.668 1.00 0.73 N ATOM 233 CA GLN A 17 6.955 10.974 0.868 1.00 0.71 C ATOM 234 C GLN A 17 6.264 9.952 -0.023 1.00 0.57 C ATOM 235 O GLN A 17 6.915 9.090 -0.608 1.00 0.51 O ATOM 236 CB GLN A 17 6.862 10.549 2.326 1.00 0.86 C ATOM 237 CG GLN A 17 8.034 9.696 2.772 1.00 1.20 C ATOM 238 CD GLN A 17 9.343 10.456 2.747 1.00 1.35 C ATOM 239 OE1 GLN A 17 9.905 10.718 1.683 1.00 2.20 O ATOM 240 NE2 GLN A 17 9.822 10.844 3.924 1.00 1.36 N ATOM 0 H GLN A 17 5.852 12.654 1.468 1.00 0.73 H new ATOM 0 HA GLN A 17 8.010 11.027 0.597 1.00 0.71 H new ATOM 0 HB2 GLN A 17 6.807 11.438 2.955 1.00 0.86 H new ATOM 0 HB3 GLN A 17 5.937 9.993 2.478 1.00 0.86 H new ATOM 0 HG2 GLN A 17 7.849 9.329 3.782 1.00 1.20 H new ATOM 0 HG3 GLN A 17 8.112 8.823 2.124 1.00 1.20 H new ATOM 0 HE21 GLN A 17 9.324 10.605 4.781 1.00 1.36 H new ATOM 0 HE22 GLN A 17 10.688 11.381 3.970 1.00 1.36 H new ATOM 249 N VAL A 18 4.941 10.062 -0.130 1.00 0.57 N ATOM 250 CA VAL A 18 4.167 9.158 -0.977 1.00 0.53 C ATOM 251 C VAL A 18 4.832 9.027 -2.343 1.00 0.49 C ATOM 252 O VAL A 18 4.829 7.957 -2.952 1.00 0.51 O ATOM 253 CB VAL A 18 2.716 9.649 -1.173 1.00 0.62 C ATOM 254 CG1 VAL A 18 1.974 8.761 -2.162 1.00 1.10 C ATOM 255 CG2 VAL A 18 1.980 9.690 0.155 1.00 1.25 C ATOM 0 H VAL A 18 4.385 10.765 0.357 1.00 0.57 H new ATOM 0 HA VAL A 18 4.137 8.191 -0.474 1.00 0.53 H new ATOM 0 HB VAL A 18 2.753 10.660 -1.579 1.00 0.62 H new ATOM 0 HG11 VAL A 18 0.954 9.126 -2.284 1.00 1.10 H new ATOM 0 HG12 VAL A 18 2.485 8.782 -3.125 1.00 1.10 H new ATOM 0 HG13 VAL A 18 1.951 7.738 -1.786 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.960 10.039 -0.005 1.00 1.25 H new ATOM 0 HG22 VAL A 18 1.958 8.691 0.590 1.00 1.25 H new ATOM 0 HG23 VAL A 18 2.493 10.370 0.835 1.00 1.25 H new ATOM 265 N ASN A 19 5.414 10.132 -2.812 1.00 0.52 N ATOM 266 CA ASN A 19 6.099 10.153 -4.098 1.00 0.57 C ATOM 267 C ASN A 19 7.444 9.439 -4.006 1.00 0.50 C ATOM 268 O ASN A 19 7.903 8.849 -4.979 1.00 0.52 O ATOM 269 CB ASN A 19 6.300 11.591 -4.581 1.00 0.72 C ATOM 270 CG ASN A 19 4.997 12.282 -4.951 1.00 1.26 C ATOM 271 OD1 ASN A 19 3.882 11.565 -4.843 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 4.995 13.452 -5.335 1.00 1.71 N flip ATOM 0 H ASN A 19 5.423 11.024 -2.317 1.00 0.52 H new ATOM 0 HA ASN A 19 5.474 9.627 -4.820 1.00 0.57 H new ATOM 0 HB2 ASN A 19 6.800 12.164 -3.800 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.962 11.588 -5.447 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.872 13.968 -5.404 1.00 1.71 H new ATOM 0 HD22 ASN A 19 4.116 13.906 -5.584 1.00 1.71 H new ATOM 279 N ALA A 20 8.069 9.495 -2.832 1.00 0.49 N ATOM 280 CA ALA A 20 9.362 8.842 -2.621 1.00 0.49 C ATOM 281 C ALA A 20 9.290 7.358 -2.978 1.00 0.42 C ATOM 282 O ALA A 20 10.213 6.803 -3.582 1.00 0.48 O ATOM 283 CB ALA A 20 9.818 9.022 -1.181 1.00 0.57 C ATOM 0 H ALA A 20 7.704 9.983 -2.014 1.00 0.49 H new ATOM 0 HA ALA A 20 10.092 9.313 -3.279 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.781 8.531 -1.040 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.917 10.085 -0.961 1.00 0.57 H new ATOM 0 HB3 ALA A 20 9.083 8.579 -0.509 1.00 0.57 H new ATOM 289 N ALA A 21 8.175 6.726 -2.632 1.00 0.41 N ATOM 290 CA ALA A 21 7.971 5.315 -2.938 1.00 0.45 C ATOM 291 C ALA A 21 7.479 5.196 -4.363 1.00 0.36 C ATOM 292 O ALA A 21 7.913 4.333 -5.124 1.00 0.40 O ATOM 293 CB ALA A 21 6.969 4.691 -1.978 1.00 0.64 C ATOM 0 H ALA A 21 7.399 7.168 -2.140 1.00 0.41 H new ATOM 0 HA ALA A 21 8.914 4.780 -2.825 1.00 0.45 H new ATOM 0 HB1 ALA A 21 6.834 3.638 -2.227 1.00 0.64 H new ATOM 0 HB2 ALA A 21 7.341 4.778 -0.957 1.00 0.64 H new ATOM 0 HB3 ALA A 21 6.014 5.209 -2.062 1.00 0.64 H new ATOM 299 N LEU A 22 6.585 6.109 -4.714 1.00 0.40 N ATOM 300 CA LEU A 22 6.025 6.177 -6.050 1.00 0.47 C ATOM 301 C LEU A 22 7.138 6.470 -7.052 1.00 0.44 C ATOM 302 O LEU A 22 6.976 6.290 -8.259 1.00 0.53 O ATOM 303 CB LEU A 22 4.951 7.270 -6.090 1.00 0.64 C ATOM 304 CG LEU A 22 4.595 7.790 -7.478 1.00 1.16 C ATOM 305 CD1 LEU A 22 3.986 6.687 -8.331 1.00 1.74 C ATOM 306 CD2 LEU A 22 3.649 8.978 -7.378 1.00 1.73 C ATOM 0 H LEU A 22 6.229 6.823 -4.078 1.00 0.40 H new ATOM 0 HA LEU A 22 5.565 5.225 -6.315 1.00 0.47 H new ATOM 0 HB2 LEU A 22 4.046 6.882 -5.623 1.00 0.64 H new ATOM 0 HB3 LEU A 22 5.289 8.109 -5.482 1.00 0.64 H new ATOM 0 HG LEU A 22 5.513 8.123 -7.962 1.00 1.16 H new ATOM 0 HD11 LEU A 22 3.740 7.083 -9.316 1.00 1.74 H new ATOM 0 HD12 LEU A 22 4.701 5.871 -8.435 1.00 1.74 H new ATOM 0 HD13 LEU A 22 3.079 6.316 -7.853 1.00 1.74 H new ATOM 0 HD21 LEU A 22 3.406 9.335 -8.379 1.00 1.73 H new ATOM 0 HD22 LEU A 22 2.734 8.673 -6.870 1.00 1.73 H new ATOM 0 HD23 LEU A 22 4.128 9.778 -6.813 1.00 1.73 H new ATOM 318 N LYS A 23 8.274 6.917 -6.525 1.00 0.43 N ATOM 319 CA LYS A 23 9.435 7.236 -7.340 1.00 0.52 C ATOM 320 C LYS A 23 10.166 5.958 -7.718 1.00 0.47 C ATOM 321 O LYS A 23 10.333 5.647 -8.898 1.00 0.56 O ATOM 322 CB LYS A 23 10.375 8.167 -6.570 1.00 0.61 C ATOM 323 CG LYS A 23 11.111 9.158 -7.452 1.00 1.13 C ATOM 324 CD LYS A 23 10.146 10.154 -8.075 1.00 1.51 C ATOM 325 CE LYS A 23 10.873 11.179 -8.929 1.00 2.12 C ATOM 326 NZ LYS A 23 11.843 11.979 -8.131 1.00 2.74 N ATOM 0 H LYS A 23 8.413 7.067 -5.526 1.00 0.43 H new ATOM 0 HA LYS A 23 9.105 7.740 -8.248 1.00 0.52 H new ATOM 0 HB2 LYS A 23 9.798 8.716 -5.825 1.00 0.61 H new ATOM 0 HB3 LYS A 23 11.104 7.565 -6.028 1.00 0.61 H new ATOM 0 HG2 LYS A 23 11.858 9.690 -6.863 1.00 1.13 H new ATOM 0 HG3 LYS A 23 11.646 8.624 -8.238 1.00 1.13 H new ATOM 0 HD2 LYS A 23 9.417 9.622 -8.686 1.00 1.51 H new ATOM 0 HD3 LYS A 23 9.590 10.664 -7.288 1.00 1.51 H new ATOM 0 HE2 LYS A 23 11.399 10.671 -9.737 1.00 2.12 H new ATOM 0 HE3 LYS A 23 10.146 11.846 -9.392 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 12.128 12.820 -8.673 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 11.397 12.276 -7.239 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 12.682 11.401 -7.923 1.00 2.74 H new ATOM 340 N ALA A 24 10.585 5.209 -6.701 1.00 0.40 N ATOM 341 CA ALA A 24 11.282 3.952 -6.917 1.00 0.43 C ATOM 342 C ALA A 24 10.343 2.927 -7.533 1.00 0.38 C ATOM 343 O ALA A 24 10.784 1.989 -8.193 1.00 0.46 O ATOM 344 CB ALA A 24 11.851 3.437 -5.605 1.00 0.51 C ATOM 0 H ALA A 24 10.452 5.454 -5.720 1.00 0.40 H new ATOM 0 HA ALA A 24 12.107 4.121 -7.609 1.00 0.43 H new ATOM 0 HB1 ALA A 24 12.371 2.495 -5.779 1.00 0.51 H new ATOM 0 HB2 ALA A 24 12.551 4.168 -5.200 1.00 0.51 H new ATOM 0 HB3 ALA A 24 11.040 3.278 -4.894 1.00 0.51 H new ATOM 350 N LEU A 25 9.043 3.126 -7.323 1.00 0.43 N ATOM 351 CA LEU A 25 8.039 2.228 -7.871 1.00 0.40 C ATOM 352 C LEU A 25 7.699 2.640 -9.295 1.00 0.37 C ATOM 353 O LEU A 25 7.497 1.793 -10.164 1.00 0.45 O ATOM 354 CB LEU A 25 6.781 2.228 -7.000 1.00 0.47 C ATOM 355 CG LEU A 25 5.813 1.074 -7.257 1.00 0.56 C ATOM 356 CD1 LEU A 25 4.955 0.823 -6.026 1.00 0.96 C ATOM 357 CD2 LEU A 25 4.932 1.378 -8.454 1.00 1.04 C ATOM 0 H LEU A 25 8.665 3.901 -6.778 1.00 0.43 H new ATOM 0 HA LEU A 25 8.444 1.216 -7.882 1.00 0.40 H new ATOM 0 HB2 LEU A 25 7.083 2.202 -5.953 1.00 0.47 H new ATOM 0 HB3 LEU A 25 6.251 3.168 -7.155 1.00 0.47 H new ATOM 0 HG LEU A 25 6.393 0.176 -7.471 1.00 0.56 H new ATOM 0 HD11 LEU A 25 4.270 -0.002 -6.222 1.00 0.96 H new ATOM 0 HD12 LEU A 25 5.596 0.569 -5.182 1.00 0.96 H new ATOM 0 HD13 LEU A 25 4.384 1.721 -5.791 1.00 0.96 H new ATOM 0 HD21 LEU A 25 4.248 0.546 -8.623 1.00 1.04 H new ATOM 0 HD22 LEU A 25 4.359 2.285 -8.263 1.00 1.04 H new ATOM 0 HD23 LEU A 25 5.555 1.521 -9.337 1.00 1.04 H new ATOM 369 N GLY A 26 7.659 3.948 -9.532 1.00 0.43 N ATOM 370 CA GLY A 26 7.373 4.441 -10.864 1.00 0.53 C ATOM 371 C GLY A 26 8.324 3.837 -11.866 1.00 0.56 C ATOM 372 O GLY A 26 7.926 3.434 -12.960 1.00 0.82 O ATOM 0 H GLY A 26 7.819 4.670 -8.829 1.00 0.43 H new ATOM 0 HA2 GLY A 26 6.346 4.197 -11.136 1.00 0.53 H new ATOM 0 HA3 GLY A 26 7.458 5.528 -10.882 1.00 0.53 H new ATOM 376 N ASP A 27 9.588 3.743 -11.466 1.00 0.59 N ATOM 377 CA ASP A 27 10.614 3.147 -12.302 1.00 0.76 C ATOM 378 C ASP A 27 11.421 2.137 -11.491 1.00 0.56 C ATOM 379 O ASP A 27 12.309 2.504 -10.722 1.00 0.81 O ATOM 380 CB ASP A 27 11.534 4.230 -12.871 1.00 1.35 C ATOM 381 CG ASP A 27 12.583 3.670 -13.811 1.00 2.02 C ATOM 382 OD1 ASP A 27 13.412 2.853 -13.355 1.00 2.61 O ATOM 383 OD2 ASP A 27 12.579 4.046 -15.002 1.00 2.42 O ATOM 0 H ASP A 27 9.924 4.075 -10.562 1.00 0.59 H new ATOM 0 HA ASP A 27 10.136 2.631 -13.134 1.00 0.76 H new ATOM 0 HB2 ASP A 27 10.934 4.969 -13.401 1.00 1.35 H new ATOM 0 HB3 ASP A 27 12.028 4.750 -12.050 1.00 1.35 H new ATOM 388 N ILE A 28 11.100 0.866 -11.676 1.00 0.51 N ATOM 389 CA ILE A 28 11.779 -0.219 -10.978 1.00 0.51 C ATOM 390 C ILE A 28 12.584 -1.052 -11.974 1.00 0.49 C ATOM 391 O ILE A 28 12.184 -1.174 -13.131 1.00 0.48 O ATOM 392 CB ILE A 28 10.756 -1.120 -10.247 1.00 0.71 C ATOM 393 CG1 ILE A 28 9.581 -0.276 -9.745 1.00 0.82 C ATOM 394 CG2 ILE A 28 11.406 -1.850 -9.082 1.00 0.83 C ATOM 395 CD1 ILE A 28 8.591 -1.045 -8.897 1.00 1.26 C ATOM 0 H ILE A 28 10.365 0.556 -12.311 1.00 0.51 H new ATOM 0 HA ILE A 28 12.454 0.212 -10.238 1.00 0.51 H new ATOM 0 HB ILE A 28 10.390 -1.864 -10.954 1.00 0.71 H new ATOM 0 HG12 ILE A 28 9.969 0.560 -9.164 1.00 0.82 H new ATOM 0 HG13 ILE A 28 9.058 0.147 -10.603 1.00 0.82 H new ATOM 0 HG21 ILE A 28 10.665 -2.476 -8.586 1.00 0.83 H new ATOM 0 HG22 ILE A 28 12.219 -2.474 -9.452 1.00 0.83 H new ATOM 0 HG23 ILE A 28 11.801 -1.123 -8.372 1.00 0.83 H new ATOM 0 HD11 ILE A 28 7.789 -0.379 -8.580 1.00 1.26 H new ATOM 0 HD12 ILE A 28 8.172 -1.865 -9.480 1.00 1.26 H new ATOM 0 HD13 ILE A 28 9.098 -1.446 -8.019 1.00 1.26 H new ATOM 407 N PRO A 29 13.733 -1.627 -11.552 1.00 0.68 N ATOM 408 CA PRO A 29 14.591 -2.438 -12.411 1.00 0.83 C ATOM 409 C PRO A 29 13.866 -3.120 -13.576 1.00 0.70 C ATOM 410 O PRO A 29 14.341 -3.076 -14.712 1.00 0.88 O ATOM 411 CB PRO A 29 15.115 -3.467 -11.421 1.00 1.07 C ATOM 412 CG PRO A 29 15.277 -2.705 -10.142 1.00 1.14 C ATOM 413 CD PRO A 29 14.316 -1.535 -10.197 1.00 0.87 C ATOM 0 HA PRO A 29 15.348 -1.839 -12.917 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.418 -4.296 -11.304 1.00 1.07 H new ATOM 0 HB3 PRO A 29 16.062 -3.892 -11.753 1.00 1.07 H new ATOM 0 HG2 PRO A 29 15.060 -3.342 -9.284 1.00 1.14 H new ATOM 0 HG3 PRO A 29 16.303 -2.356 -10.029 1.00 1.14 H new ATOM 0 HD2 PRO A 29 13.550 -1.609 -9.425 1.00 0.87 H new ATOM 0 HD3 PRO A 29 14.831 -0.586 -10.046 1.00 0.87 H new ATOM 421 N GLU A 30 12.728 -3.759 -13.303 1.00 0.54 N ATOM 422 CA GLU A 30 11.980 -4.448 -14.358 1.00 0.58 C ATOM 423 C GLU A 30 10.472 -4.254 -14.212 1.00 0.60 C ATOM 424 O GLU A 30 9.692 -4.821 -14.979 1.00 1.01 O ATOM 425 CB GLU A 30 12.302 -5.944 -14.342 1.00 0.62 C ATOM 426 CG GLU A 30 13.783 -6.258 -14.489 1.00 0.63 C ATOM 427 CD GLU A 30 14.351 -5.824 -15.829 1.00 1.39 C ATOM 428 OE1 GLU A 30 13.574 -5.311 -16.663 1.00 2.35 O ATOM 429 OE2 GLU A 30 15.570 -5.986 -16.044 1.00 1.66 O ATOM 0 H GLU A 30 12.308 -3.815 -12.375 1.00 0.54 H new ATOM 0 HA GLU A 30 12.286 -4.010 -15.308 1.00 0.58 H new ATOM 0 HB2 GLU A 30 11.941 -6.373 -13.407 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.755 -6.432 -15.149 1.00 0.62 H new ATOM 0 HG2 GLU A 30 14.335 -5.764 -13.689 1.00 0.63 H new ATOM 0 HG3 GLU A 30 13.935 -7.330 -14.366 1.00 0.63 H new ATOM 436 N SER A 31 10.060 -3.469 -13.224 1.00 0.36 N ATOM 437 CA SER A 31 8.638 -3.230 -12.986 1.00 0.34 C ATOM 438 C SER A 31 8.153 -1.967 -13.699 1.00 0.36 C ATOM 439 O SER A 31 8.938 -1.272 -14.346 1.00 0.46 O ATOM 440 CB SER A 31 8.379 -3.112 -11.490 1.00 0.37 C ATOM 441 OG SER A 31 8.928 -4.215 -10.790 1.00 0.83 O ATOM 0 H SER A 31 10.685 -2.988 -12.577 1.00 0.36 H new ATOM 0 HA SER A 31 8.082 -4.076 -13.390 1.00 0.34 H new ATOM 0 HB2 SER A 31 8.814 -2.186 -11.114 1.00 0.37 H new ATOM 0 HB3 SER A 31 7.306 -3.058 -11.306 1.00 0.37 H new ATOM 0 HG SER A 31 8.750 -4.116 -9.831 1.00 0.83 H new ATOM 447 N HIS A 32 6.853 -1.672 -13.575 1.00 0.33 N ATOM 448 CA HIS A 32 6.277 -0.487 -14.215 1.00 0.39 C ATOM 449 C HIS A 32 4.847 -0.222 -13.734 1.00 0.34 C ATOM 450 O HIS A 32 4.000 -1.114 -13.739 1.00 0.36 O ATOM 451 CB HIS A 32 6.293 -0.647 -15.736 1.00 0.51 C ATOM 452 CG HIS A 32 5.836 0.565 -16.495 1.00 0.94 C ATOM 453 ND1 HIS A 32 5.507 1.812 -16.074 1.00 1.83 N flip ATOM 454 CD2 HIS A 32 5.687 0.577 -17.865 1.00 1.60 C flip ATOM 455 CE1 HIS A 32 5.173 2.542 -17.188 1.00 2.29 C flip ATOM 456 NE2 HIS A 32 5.291 1.775 -18.255 1.00 2.07 N flip ATOM 0 H HIS A 32 6.187 -2.232 -13.043 1.00 0.33 H new ATOM 0 HA HIS A 32 6.890 0.369 -13.933 1.00 0.39 H new ATOM 0 HB2 HIS A 32 7.306 -0.897 -16.052 1.00 0.51 H new ATOM 0 HB3 HIS A 32 5.658 -1.490 -16.007 1.00 0.51 H new ATOM 0 HD2 HIS A 32 5.866 -0.264 -18.519 1.00 1.60 H new ATOM 0 HE1 HIS A 32 4.864 3.577 -17.190 1.00 2.29 H new ATOM 0 HE2 HIS A 32 5.108 2.059 -19.217 1.00 2.07 H new ATOM 465 N ILE A 33 4.601 1.023 -13.335 1.00 0.36 N ATOM 466 CA ILE A 33 3.290 1.462 -12.858 1.00 0.36 C ATOM 467 C ILE A 33 2.170 1.090 -13.835 1.00 0.38 C ATOM 468 O ILE A 33 2.393 0.993 -15.042 1.00 0.50 O ATOM 469 CB ILE A 33 3.304 2.992 -12.634 1.00 0.53 C ATOM 470 CG1 ILE A 33 3.748 3.310 -11.204 1.00 0.58 C ATOM 471 CG2 ILE A 33 1.944 3.623 -12.932 1.00 0.93 C ATOM 472 CD1 ILE A 33 2.710 2.970 -10.155 1.00 1.05 C ATOM 0 H ILE A 33 5.307 1.759 -13.333 1.00 0.36 H new ATOM 0 HA ILE A 33 3.090 0.949 -11.917 1.00 0.36 H new ATOM 0 HB ILE A 33 4.020 3.426 -13.333 1.00 0.53 H new ATOM 0 HG12 ILE A 33 4.664 2.761 -10.987 1.00 0.58 H new ATOM 0 HG13 ILE A 33 3.988 4.371 -11.135 1.00 0.58 H new ATOM 0 HG21 ILE A 33 1.997 4.698 -12.762 1.00 0.93 H new ATOM 0 HG22 ILE A 33 1.674 3.432 -13.971 1.00 0.93 H new ATOM 0 HG23 ILE A 33 1.190 3.189 -12.276 1.00 0.93 H new ATOM 0 HD11 ILE A 33 3.095 3.223 -9.167 1.00 1.05 H new ATOM 0 HD12 ILE A 33 1.800 3.539 -10.346 1.00 1.05 H new ATOM 0 HD13 ILE A 33 2.487 1.904 -10.196 1.00 1.05 H new ATOM 484 N LEU A 34 0.962 0.892 -13.302 1.00 0.38 N ATOM 485 CA LEU A 34 -0.195 0.543 -14.124 1.00 0.50 C ATOM 486 C LEU A 34 -1.461 1.212 -13.576 1.00 0.46 C ATOM 487 O LEU A 34 -1.817 2.314 -13.993 1.00 0.60 O ATOM 488 CB LEU A 34 -0.367 -0.982 -14.177 1.00 0.65 C ATOM 489 CG LEU A 34 -1.136 -1.526 -15.389 1.00 1.01 C ATOM 490 CD1 LEU A 34 -2.562 -1.000 -15.420 1.00 1.69 C ATOM 491 CD2 LEU A 34 -0.411 -1.175 -16.681 1.00 1.34 C ATOM 0 H LEU A 34 0.761 0.968 -12.305 1.00 0.38 H new ATOM 0 HA LEU A 34 -0.028 0.907 -15.138 1.00 0.50 H new ATOM 0 HB2 LEU A 34 0.622 -1.441 -14.162 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -0.881 -1.302 -13.271 1.00 0.65 H new ATOM 0 HG LEU A 34 -1.182 -2.611 -15.296 1.00 1.01 H new ATOM 0 HD11 LEU A 34 -3.080 -1.404 -16.290 1.00 1.69 H new ATOM 0 HD12 LEU A 34 -3.083 -1.307 -14.513 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -2.547 0.088 -15.479 1.00 1.69 H new ATOM 0 HD21 LEU A 34 -0.970 -1.568 -17.530 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -0.330 -0.092 -16.770 1.00 1.34 H new ATOM 0 HD23 LEU A 34 0.587 -1.613 -16.669 1.00 1.34 H new ATOM 503 N THR A 35 -2.135 0.542 -12.638 1.00 0.46 N ATOM 504 CA THR A 35 -3.357 1.078 -12.035 1.00 0.43 C ATOM 505 C THR A 35 -3.089 1.616 -10.634 1.00 0.43 C ATOM 506 O THR A 35 -2.866 0.846 -9.699 1.00 0.52 O ATOM 507 CB THR A 35 -4.446 0.002 -11.970 1.00 0.49 C ATOM 508 OG1 THR A 35 -3.912 -1.223 -11.502 1.00 0.68 O ATOM 509 CG2 THR A 35 -5.114 -0.262 -13.301 1.00 0.72 C ATOM 0 H THR A 35 -1.855 -0.371 -12.280 1.00 0.46 H new ATOM 0 HA THR A 35 -3.701 1.898 -12.665 1.00 0.43 H new ATOM 0 HB THR A 35 -5.196 0.394 -11.283 1.00 0.49 H new ATOM 0 HG1 THR A 35 -4.623 -1.897 -11.466 1.00 0.68 H new ATOM 0 HG21 THR A 35 -5.874 -1.034 -13.180 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.582 0.654 -13.661 1.00 0.72 H new ATOM 0 HG23 THR A 35 -4.368 -0.596 -14.022 1.00 0.72 H new ATOM 517 N VAL A 36 -3.116 2.940 -10.491 1.00 0.40 N ATOM 518 CA VAL A 36 -2.877 3.565 -9.196 1.00 0.46 C ATOM 519 C VAL A 36 -3.776 4.783 -8.982 1.00 0.48 C ATOM 520 O VAL A 36 -3.803 5.703 -9.803 1.00 0.56 O ATOM 521 CB VAL A 36 -1.402 3.989 -9.035 1.00 0.58 C ATOM 522 CG1 VAL A 36 -0.478 2.807 -9.272 1.00 1.32 C ATOM 523 CG2 VAL A 36 -1.054 5.137 -9.971 1.00 1.45 C ATOM 0 H VAL A 36 -3.300 3.595 -11.251 1.00 0.40 H new ATOM 0 HA VAL A 36 -3.115 2.814 -8.443 1.00 0.46 H new ATOM 0 HB VAL A 36 -1.263 4.338 -8.012 1.00 0.58 H new ATOM 0 HG11 VAL A 36 0.558 3.125 -9.154 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -0.700 2.021 -8.550 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -0.627 2.425 -10.282 1.00 1.32 H new ATOM 0 HG21 VAL A 36 -0.009 5.414 -9.835 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -1.215 4.827 -11.003 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -1.688 5.995 -9.747 1.00 1.45 H new ATOM 533 N SER A 37 -4.512 4.778 -7.873 1.00 0.45 N ATOM 534 CA SER A 37 -5.412 5.875 -7.537 1.00 0.54 C ATOM 535 C SER A 37 -6.154 5.571 -6.241 1.00 0.57 C ATOM 536 O SER A 37 -5.743 4.701 -5.474 1.00 1.08 O ATOM 537 CB SER A 37 -6.419 6.114 -8.668 1.00 0.65 C ATOM 538 OG SER A 37 -7.210 4.960 -8.897 1.00 1.28 O ATOM 0 H SER A 37 -4.501 4.021 -7.189 1.00 0.45 H new ATOM 0 HA SER A 37 -4.815 6.777 -7.403 1.00 0.54 H new ATOM 0 HB2 SER A 37 -7.063 6.956 -8.414 1.00 0.65 H new ATOM 0 HB3 SER A 37 -5.888 6.382 -9.581 1.00 0.65 H new ATOM 0 HG SER A 37 -7.846 5.138 -9.621 1.00 1.28 H new ATOM 544 N SER A 38 -7.255 6.282 -6.014 1.00 0.59 N ATOM 545 CA SER A 38 -8.071 6.079 -4.822 1.00 0.59 C ATOM 546 C SER A 38 -7.302 6.441 -3.550 1.00 0.52 C ATOM 547 O SER A 38 -7.038 5.582 -2.708 1.00 0.63 O ATOM 548 CB SER A 38 -8.538 4.620 -4.764 1.00 0.78 C ATOM 549 OG SER A 38 -9.050 4.210 -6.017 1.00 1.68 O ATOM 0 H SER A 38 -7.603 7.006 -6.643 1.00 0.59 H new ATOM 0 HA SER A 38 -8.937 6.738 -4.882 1.00 0.59 H new ATOM 0 HB2 SER A 38 -7.705 3.977 -4.478 1.00 0.78 H new ATOM 0 HB3 SER A 38 -9.305 4.508 -3.998 1.00 0.78 H new ATOM 0 HG SER A 38 -9.703 4.868 -6.334 1.00 1.68 H new ATOM 555 N PHE A 39 -6.962 7.723 -3.408 1.00 0.44 N ATOM 556 CA PHE A 39 -6.245 8.201 -2.226 1.00 0.50 C ATOM 557 C PHE A 39 -7.253 8.556 -1.139 1.00 0.57 C ATOM 558 O PHE A 39 -8.400 8.877 -1.444 1.00 0.75 O ATOM 559 CB PHE A 39 -5.381 9.421 -2.564 1.00 0.59 C ATOM 560 CG PHE A 39 -4.287 9.148 -3.563 1.00 0.59 C ATOM 561 CD1 PHE A 39 -4.583 8.577 -4.790 1.00 0.65 C ATOM 562 CD2 PHE A 39 -2.964 9.455 -3.274 1.00 0.83 C ATOM 563 CE1 PHE A 39 -3.584 8.320 -5.710 1.00 0.98 C ATOM 564 CE2 PHE A 39 -1.963 9.199 -4.191 1.00 1.19 C ATOM 565 CZ PHE A 39 -2.259 8.655 -5.403 1.00 1.26 C ATOM 0 H PHE A 39 -7.171 8.447 -4.095 1.00 0.44 H new ATOM 0 HA PHE A 39 -5.584 7.411 -1.871 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -6.024 10.210 -2.953 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -4.932 9.800 -1.646 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.606 8.330 -5.031 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -2.715 9.899 -2.322 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -3.823 7.864 -6.659 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -0.938 9.432 -3.944 1.00 1.19 H new ATOM 0 HZ PHE A 39 -1.475 8.482 -6.125 1.00 1.26 H new ATOM 575 N TYR A 40 -6.844 8.478 0.125 1.00 0.65 N ATOM 576 CA TYR A 40 -7.768 8.775 1.218 1.00 0.81 C ATOM 577 C TYR A 40 -7.073 8.910 2.565 1.00 0.71 C ATOM 578 O TYR A 40 -5.844 8.878 2.660 1.00 0.71 O ATOM 579 CB TYR A 40 -8.807 7.664 1.299 1.00 1.01 C ATOM 580 CG TYR A 40 -8.170 6.302 1.267 1.00 1.49 C ATOM 581 CD1 TYR A 40 -7.568 5.764 2.394 1.00 2.39 C ATOM 582 CD2 TYR A 40 -8.152 5.566 0.097 1.00 1.73 C ATOM 583 CE1 TYR A 40 -6.967 4.526 2.351 1.00 3.35 C ATOM 584 CE2 TYR A 40 -7.550 4.330 0.044 1.00 2.61 C ATOM 585 CZ TYR A 40 -6.960 3.817 1.171 1.00 3.41 C ATOM 586 OH TYR A 40 -6.354 2.592 1.114 1.00 4.43 O ATOM 0 H TYR A 40 -5.901 8.218 0.415 1.00 0.65 H new ATOM 0 HA TYR A 40 -8.232 9.737 1.001 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -9.386 7.773 2.216 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -9.506 7.758 0.468 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -7.570 6.323 3.318 1.00 2.39 H new ATOM 0 HD2 TYR A 40 -8.618 5.968 -0.790 1.00 1.73 H new ATOM 0 HE1 TYR A 40 -6.505 4.114 3.236 1.00 3.35 H new ATOM 0 HE2 TYR A 40 -7.542 3.768 -0.878 1.00 2.61 H new ATOM 0 HH TYR A 40 -5.732 2.499 1.866 1.00 4.43 H new ATOM 596 N ARG A 41 -7.894 9.055 3.601 1.00 0.70 N ATOM 597 CA ARG A 41 -7.413 9.197 4.971 1.00 0.67 C ATOM 598 C ARG A 41 -7.359 7.843 5.676 1.00 0.64 C ATOM 599 O ARG A 41 -8.060 6.906 5.293 1.00 0.70 O ATOM 600 CB ARG A 41 -8.334 10.139 5.746 1.00 0.79 C ATOM 601 CG ARG A 41 -7.829 10.483 7.138 1.00 0.95 C ATOM 602 CD ARG A 41 -8.823 11.355 7.889 1.00 1.52 C ATOM 603 NE ARG A 41 -9.156 12.567 7.146 1.00 2.11 N ATOM 604 CZ ARG A 41 -10.022 13.480 7.573 1.00 2.49 C ATOM 605 NH1 ARG A 41 -10.630 13.329 8.743 1.00 2.37 N ATOM 606 NH2 ARG A 41 -10.278 14.549 6.831 1.00 3.51 N ATOM 0 H ARG A 41 -8.910 9.077 3.514 1.00 0.70 H new ATOM 0 HA ARG A 41 -6.405 9.610 4.938 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -8.458 11.060 5.177 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -9.319 9.681 5.830 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -7.651 9.566 7.699 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -6.873 11.001 7.062 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -9.732 10.786 8.081 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -8.407 11.627 8.859 1.00 1.52 H new ATOM 0 HE ARG A 41 -8.698 12.722 6.248 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -10.433 12.510 9.318 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -11.294 14.032 9.067 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -9.810 14.670 5.933 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -10.943 15.250 7.159 1.00 3.51 H new ATOM 620 N THR A 42 -6.530 7.752 6.714 1.00 0.80 N ATOM 621 CA THR A 42 -6.392 6.517 7.479 1.00 0.97 C ATOM 622 C THR A 42 -6.101 6.814 8.952 1.00 1.03 C ATOM 623 O THR A 42 -5.237 7.634 9.266 1.00 1.12 O ATOM 624 CB THR A 42 -5.274 5.653 6.893 1.00 1.17 C ATOM 625 OG1 THR A 42 -5.546 5.335 5.539 1.00 1.44 O ATOM 626 CG2 THR A 42 -5.065 4.351 7.636 1.00 1.32 C ATOM 0 H THR A 42 -5.944 8.519 7.044 1.00 0.80 H new ATOM 0 HA THR A 42 -7.335 5.974 7.416 1.00 0.97 H new ATOM 0 HB THR A 42 -4.369 6.253 6.987 1.00 1.17 H new ATOM 0 HG1 THR A 42 -6.511 5.388 5.378 1.00 1.44 H new ATOM 0 HG21 THR A 42 -4.258 3.789 7.166 1.00 1.32 H new ATOM 0 HG22 THR A 42 -4.805 4.562 8.673 1.00 1.32 H new ATOM 0 HG23 THR A 42 -5.982 3.763 7.604 1.00 1.32 H new ATOM 634 N PRO A 43 -6.824 6.159 9.882 1.00 1.12 N ATOM 635 CA PRO A 43 -6.640 6.362 11.315 1.00 1.31 C ATOM 636 C PRO A 43 -5.619 5.396 11.916 1.00 1.50 C ATOM 637 O PRO A 43 -5.495 4.258 11.464 1.00 1.71 O ATOM 638 CB PRO A 43 -8.031 6.064 11.857 1.00 1.48 C ATOM 639 CG PRO A 43 -8.554 4.985 10.966 1.00 1.38 C ATOM 640 CD PRO A 43 -7.888 5.171 9.617 1.00 1.15 C ATOM 0 HA PRO A 43 -6.258 7.355 11.554 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -7.991 5.737 12.896 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -8.667 6.948 11.826 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -8.328 4.001 11.377 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -9.638 5.051 10.874 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -7.479 4.234 9.241 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -8.593 5.534 8.869 1.00 1.15 H new ATOM 648 N PRO A 44 -4.878 5.831 12.952 1.00 1.55 N ATOM 649 CA PRO A 44 -3.878 4.987 13.612 1.00 1.80 C ATOM 650 C PRO A 44 -4.527 3.796 14.302 1.00 2.15 C ATOM 651 O PRO A 44 -4.321 2.648 13.909 1.00 2.77 O ATOM 652 CB PRO A 44 -3.229 5.916 14.648 1.00 1.80 C ATOM 653 CG PRO A 44 -3.627 7.296 14.247 1.00 1.81 C ATOM 654 CD PRO A 44 -4.958 7.162 13.570 1.00 1.54 C ATOM 0 HA PRO A 44 -3.161 4.571 12.904 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -3.576 5.684 15.655 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -2.145 5.805 14.651 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -3.695 7.950 15.116 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -2.890 7.735 13.575 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -5.782 7.229 14.281 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -5.114 7.944 12.827 1.00 1.54 H new ATOM 662 N LEU A 45 -5.325 4.087 15.327 1.00 2.16 N ATOM 663 CA LEU A 45 -6.029 3.053 16.077 1.00 2.52 C ATOM 664 C LEU A 45 -5.081 1.921 16.475 1.00 2.69 C ATOM 665 O LEU A 45 -5.343 0.750 16.200 1.00 3.09 O ATOM 666 CB LEU A 45 -7.192 2.507 15.243 1.00 2.75 C ATOM 667 CG LEU A 45 -8.128 1.539 15.972 1.00 3.05 C ATOM 668 CD1 LEU A 45 -8.785 2.219 17.163 1.00 3.66 C ATOM 669 CD2 LEU A 45 -9.179 0.999 15.015 1.00 3.32 C ATOM 0 H LEU A 45 -5.500 5.036 15.657 1.00 2.16 H new ATOM 0 HA LEU A 45 -6.422 3.497 16.991 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -7.781 3.348 14.878 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -6.783 2.001 14.369 1.00 2.75 H new ATOM 0 HG LEU A 45 -7.537 0.702 16.344 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -9.446 1.513 17.666 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -8.017 2.556 17.859 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -9.364 3.076 16.819 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -9.837 0.312 15.547 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -9.765 1.826 14.614 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -8.689 0.471 14.197 1.00 3.32 H new ATOM 681 N GLY A 46 -3.977 2.279 17.120 1.00 2.52 N ATOM 682 CA GLY A 46 -3.013 1.280 17.539 1.00 2.73 C ATOM 683 C GLY A 46 -1.674 1.879 17.926 1.00 2.68 C ATOM 684 O GLY A 46 -1.375 2.015 19.113 1.00 2.81 O ATOM 0 H GLY A 46 -3.733 3.240 17.360 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -3.416 0.726 18.387 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -2.865 0.563 16.731 1.00 2.73 H new ATOM 688 N PRO A 47 -0.836 2.251 16.941 1.00 2.59 N ATOM 689 CA PRO A 47 0.481 2.837 17.204 1.00 2.65 C ATOM 690 C PRO A 47 0.391 4.140 17.990 1.00 2.60 C ATOM 691 O PRO A 47 1.012 4.285 19.043 1.00 2.86 O ATOM 692 CB PRO A 47 1.056 3.094 15.804 1.00 2.59 C ATOM 693 CG PRO A 47 -0.123 3.088 14.892 1.00 2.63 C ATOM 694 CD PRO A 47 -1.104 2.127 15.498 1.00 2.54 C ATOM 0 HA PRO A 47 1.099 2.178 17.814 1.00 2.65 H new ATOM 0 HB2 PRO A 47 1.581 4.048 15.763 1.00 2.59 H new ATOM 0 HB3 PRO A 47 1.774 2.323 15.525 1.00 2.59 H new ATOM 0 HG2 PRO A 47 -0.555 4.085 14.805 1.00 2.63 H new ATOM 0 HG3 PRO A 47 0.161 2.775 13.887 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -2.133 2.392 15.254 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -0.944 1.109 15.143 1.00 2.54 H new ATOM 702 N GLN A 48 -0.381 5.087 17.470 1.00 2.39 N ATOM 703 CA GLN A 48 -0.549 6.379 18.118 1.00 2.50 C ATOM 704 C GLN A 48 -2.024 6.688 18.348 1.00 2.40 C ATOM 705 O GLN A 48 -2.885 5.814 18.245 1.00 2.57 O ATOM 706 CB GLN A 48 0.047 7.478 17.240 1.00 2.56 C ATOM 707 CG GLN A 48 1.490 7.241 16.837 1.00 2.73 C ATOM 708 CD GLN A 48 1.893 8.071 15.632 1.00 2.73 C ATOM 709 OE1 GLN A 48 3.068 8.116 15.266 1.00 3.26 O ATOM 710 NE2 GLN A 48 0.914 8.719 14.996 1.00 2.45 N ATOM 0 H GLN A 48 -0.901 4.982 16.599 1.00 2.39 H new ATOM 0 HA GLN A 48 -0.038 6.341 19.080 1.00 2.50 H new ATOM 0 HB2 GLN A 48 -0.558 7.575 16.339 1.00 2.56 H new ATOM 0 HB3 GLN A 48 -0.018 8.427 17.772 1.00 2.56 H new ATOM 0 HG2 GLN A 48 2.144 7.480 17.676 1.00 2.73 H new ATOM 0 HG3 GLN A 48 1.634 6.184 16.612 1.00 2.73 H new ATOM 0 HE21 GLN A 48 -0.046 8.653 15.335 1.00 2.45 H new ATOM 0 HE22 GLN A 48 1.126 9.280 14.171 1.00 2.45 H new ATOM 719 N ASP A 49 -2.295 7.955 18.627 1.00 2.45 N ATOM 720 CA ASP A 49 -3.649 8.436 18.841 1.00 2.47 C ATOM 721 C ASP A 49 -3.845 9.711 18.031 1.00 2.38 C ATOM 722 O ASP A 49 -4.740 10.514 18.301 1.00 2.57 O ATOM 723 CB ASP A 49 -3.902 8.701 20.327 1.00 2.79 C ATOM 724 CG ASP A 49 -3.730 7.453 21.172 1.00 2.83 C ATOM 725 OD1 ASP A 49 -4.454 6.466 20.927 1.00 3.28 O ATOM 726 OD2 ASP A 49 -2.871 7.464 22.080 1.00 3.02 O ATOM 0 H ASP A 49 -1.580 8.678 18.711 1.00 2.45 H new ATOM 0 HA ASP A 49 -4.361 7.678 18.515 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -3.216 9.472 20.678 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -4.912 9.089 20.458 1.00 2.79 H new ATOM 731 N GLN A 50 -2.973 9.881 17.040 1.00 2.26 N ATOM 732 CA GLN A 50 -2.991 11.047 16.166 1.00 2.39 C ATOM 733 C GLN A 50 -3.383 10.651 14.743 1.00 2.01 C ATOM 734 O GLN A 50 -2.544 10.182 13.973 1.00 2.19 O ATOM 735 CB GLN A 50 -1.606 11.689 16.157 1.00 3.08 C ATOM 736 CG GLN A 50 -1.122 12.119 17.533 1.00 3.45 C ATOM 737 CD GLN A 50 0.390 12.084 17.663 1.00 3.73 C ATOM 738 OE1 GLN A 50 1.046 11.291 16.817 1.00 4.34 O flip ATOM 739 NE2 GLN A 50 0.963 12.734 18.537 1.00 3.74 N flip ATOM 0 H GLN A 50 -2.234 9.213 16.822 1.00 2.26 H new ATOM 0 HA GLN A 50 -3.728 11.757 16.541 1.00 2.39 H new ATOM 0 HB2 GLN A 50 -0.891 10.983 15.734 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -1.623 12.558 15.499 1.00 3.08 H new ATOM 0 HG2 GLN A 50 -1.476 13.129 17.738 1.00 3.45 H new ATOM 0 HG3 GLN A 50 -1.562 11.467 18.288 1.00 3.45 H new ATOM 0 HE21 GLN A 50 0.424 13.330 19.165 1.00 3.74 H new ATOM 0 HE22 GLN A 50 1.977 12.677 18.633 1.00 3.74 H new ATOM 748 N PRO A 51 -4.664 10.816 14.374 1.00 1.98 N ATOM 749 CA PRO A 51 -5.147 10.456 13.041 1.00 2.00 C ATOM 750 C PRO A 51 -4.842 11.516 11.987 1.00 1.82 C ATOM 751 O PRO A 51 -5.245 12.672 12.118 1.00 2.47 O ATOM 752 CB PRO A 51 -6.653 10.332 13.250 1.00 2.71 C ATOM 753 CG PRO A 51 -6.958 11.318 14.326 1.00 2.89 C ATOM 754 CD PRO A 51 -5.746 11.350 15.225 1.00 2.51 C ATOM 0 HA PRO A 51 -4.667 9.553 12.665 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -7.201 10.559 12.336 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -6.932 9.321 13.546 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -7.157 12.304 13.905 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -7.848 11.024 14.883 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -5.526 12.362 15.564 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -5.892 10.740 16.116 1.00 2.51 H new ATOM 762 N ASP A 52 -4.133 11.104 10.937 1.00 1.32 N ATOM 763 CA ASP A 52 -3.770 12.001 9.845 1.00 1.52 C ATOM 764 C ASP A 52 -3.003 11.244 8.764 1.00 1.28 C ATOM 765 O ASP A 52 -2.294 11.845 7.956 1.00 2.07 O ATOM 766 CB ASP A 52 -2.922 13.166 10.362 1.00 2.12 C ATOM 767 CG ASP A 52 -1.642 12.699 11.031 1.00 2.77 C ATOM 768 OD1 ASP A 52 -1.730 11.936 12.016 1.00 3.33 O ATOM 769 OD2 ASP A 52 -0.553 13.098 10.568 1.00 3.26 O ATOM 0 H ASP A 52 -3.797 10.148 10.821 1.00 1.32 H new ATOM 0 HA ASP A 52 -4.689 12.399 9.415 1.00 1.52 H new ATOM 0 HB2 ASP A 52 -2.674 13.828 9.532 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -3.507 13.751 11.072 1.00 2.12 H new ATOM 774 N TYR A 53 -3.142 9.920 8.761 1.00 0.84 N ATOM 775 CA TYR A 53 -2.453 9.078 7.789 1.00 1.19 C ATOM 776 C TYR A 53 -3.079 9.191 6.403 1.00 0.96 C ATOM 777 O TYR A 53 -4.108 9.842 6.219 1.00 1.43 O ATOM 778 CB TYR A 53 -2.455 7.614 8.240 1.00 2.08 C ATOM 779 CG TYR A 53 -1.670 7.353 9.509 1.00 3.12 C ATOM 780 CD1 TYR A 53 -1.917 8.077 10.671 1.00 3.88 C ATOM 781 CD2 TYR A 53 -0.681 6.379 9.545 1.00 3.74 C ATOM 782 CE1 TYR A 53 -1.201 7.837 11.827 1.00 5.03 C ATOM 783 CE2 TYR A 53 0.041 6.134 10.698 1.00 4.86 C ATOM 784 CZ TYR A 53 -0.223 6.865 11.835 1.00 5.45 C ATOM 785 OH TYR A 53 0.491 6.623 12.985 1.00 6.66 O ATOM 0 H TYR A 53 -3.726 9.408 9.422 1.00 0.84 H new ATOM 0 HA TYR A 53 -1.424 9.432 7.729 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -3.486 7.294 8.392 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -2.045 6.999 7.439 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -2.682 8.840 10.669 1.00 3.88 H new ATOM 0 HD2 TYR A 53 -0.472 5.802 8.656 1.00 3.74 H new ATOM 0 HE1 TYR A 53 -1.406 8.408 12.721 1.00 5.03 H new ATOM 0 HE2 TYR A 53 0.808 5.374 10.707 1.00 4.86 H new ATOM 0 HH TYR A 53 1.140 5.907 12.822 1.00 6.66 H new ATOM 795 N LEU A 54 -2.437 8.546 5.436 1.00 0.84 N ATOM 796 CA LEU A 54 -2.895 8.554 4.053 1.00 0.76 C ATOM 797 C LEU A 54 -2.466 7.274 3.347 1.00 0.76 C ATOM 798 O LEU A 54 -1.501 6.626 3.751 1.00 0.98 O ATOM 799 CB LEU A 54 -2.337 9.790 3.327 1.00 0.97 C ATOM 800 CG LEU A 54 -2.385 9.756 1.793 1.00 1.15 C ATOM 801 CD1 LEU A 54 -2.374 11.166 1.231 1.00 1.60 C ATOM 802 CD2 LEU A 54 -1.203 8.974 1.235 1.00 1.60 C ATOM 0 H LEU A 54 -1.586 8.004 5.589 1.00 0.84 H new ATOM 0 HA LEU A 54 -3.984 8.602 4.037 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -2.890 10.666 3.667 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -1.300 9.928 3.634 1.00 0.97 H new ATOM 0 HG LEU A 54 -3.309 9.260 1.495 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -2.408 11.124 0.142 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -3.242 11.712 1.601 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -1.464 11.676 1.546 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -1.256 8.962 0.146 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -0.273 9.448 1.548 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -1.233 7.951 1.611 1.00 1.60 H new ATOM 814 N ASN A 55 -3.180 6.916 2.283 1.00 0.60 N ATOM 815 CA ASN A 55 -2.852 5.717 1.525 1.00 0.66 C ATOM 816 C ASN A 55 -3.290 5.856 0.072 1.00 0.50 C ATOM 817 O ASN A 55 -4.070 6.745 -0.275 1.00 0.56 O ATOM 818 CB ASN A 55 -3.516 4.489 2.148 1.00 0.87 C ATOM 819 CG ASN A 55 -2.965 3.189 1.594 1.00 1.51 C ATOM 820 OD1 ASN A 55 -1.854 2.780 1.932 1.00 2.21 O ATOM 821 ND2 ASN A 55 -3.726 2.545 0.719 1.00 2.21 N ATOM 0 H ASN A 55 -3.983 7.436 1.930 1.00 0.60 H new ATOM 0 HA ASN A 55 -1.770 5.590 1.554 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -3.372 4.510 3.228 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -4.590 4.530 1.969 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -3.396 1.676 0.299 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -4.641 2.919 0.466 1.00 2.21 H new ATOM 828 N ALA A 56 -2.781 4.963 -0.767 1.00 0.50 N ATOM 829 CA ALA A 56 -3.105 4.963 -2.186 1.00 0.45 C ATOM 830 C ALA A 56 -2.916 3.572 -2.773 1.00 0.45 C ATOM 831 O ALA A 56 -2.002 2.845 -2.385 1.00 0.61 O ATOM 832 CB ALA A 56 -2.244 5.976 -2.926 1.00 0.58 C ATOM 0 H ALA A 56 -2.137 4.224 -0.485 1.00 0.50 H new ATOM 0 HA ALA A 56 -4.151 5.248 -2.304 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -2.498 5.964 -3.986 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -2.424 6.972 -2.521 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -1.192 5.719 -2.802 1.00 0.58 H new ATOM 838 N ALA A 57 -3.782 3.204 -3.708 1.00 0.43 N ATOM 839 CA ALA A 57 -3.705 1.899 -4.341 1.00 0.47 C ATOM 840 C ALA A 57 -2.712 1.914 -5.489 1.00 0.40 C ATOM 841 O ALA A 57 -2.754 2.796 -6.344 1.00 0.44 O ATOM 842 CB ALA A 57 -5.072 1.472 -4.842 1.00 0.59 C ATOM 0 H ALA A 57 -4.545 3.792 -4.043 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.362 1.181 -3.596 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -4.997 0.492 -5.314 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -5.767 1.419 -4.004 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -5.436 2.198 -5.569 1.00 0.59 H new ATOM 848 N VAL A 58 -1.824 0.930 -5.511 1.00 0.39 N ATOM 849 CA VAL A 58 -0.838 0.831 -6.563 1.00 0.39 C ATOM 850 C VAL A 58 -0.768 -0.592 -7.074 1.00 0.40 C ATOM 851 O VAL A 58 -0.586 -1.530 -6.304 1.00 0.60 O ATOM 852 CB VAL A 58 0.559 1.277 -6.084 1.00 0.49 C ATOM 853 CG1 VAL A 58 1.591 1.090 -7.185 1.00 1.11 C ATOM 854 CG2 VAL A 58 0.523 2.725 -5.621 1.00 1.22 C ATOM 0 H VAL A 58 -1.771 0.192 -4.809 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.147 1.499 -7.367 1.00 0.39 H new ATOM 0 HB VAL A 58 0.849 0.652 -5.239 1.00 0.49 H new ATOM 0 HG11 VAL A 58 2.569 1.411 -6.826 1.00 1.11 H new ATOM 0 HG12 VAL A 58 1.635 0.038 -7.467 1.00 1.11 H new ATOM 0 HG13 VAL A 58 1.310 1.687 -8.053 1.00 1.11 H new ATOM 0 HG21 VAL A 58 1.516 3.025 -5.286 1.00 1.22 H new ATOM 0 HG22 VAL A 58 0.211 3.364 -6.447 1.00 1.22 H new ATOM 0 HG23 VAL A 58 -0.184 2.826 -4.797 1.00 1.22 H new ATOM 864 N ALA A 59 -0.900 -0.744 -8.376 1.00 0.34 N ATOM 865 CA ALA A 59 -0.834 -2.048 -8.999 1.00 0.36 C ATOM 866 C ALA A 59 0.103 -1.963 -10.181 1.00 0.37 C ATOM 867 O ALA A 59 -0.297 -1.615 -11.291 1.00 0.43 O ATOM 868 CB ALA A 59 -2.216 -2.515 -9.429 1.00 0.44 C ATOM 0 H ALA A 59 -1.055 0.026 -9.026 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.458 -2.780 -8.285 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -2.140 -3.498 -9.895 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -2.867 -2.576 -8.557 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -2.633 -1.806 -10.144 1.00 0.44 H new ATOM 874 N LEU A 60 1.362 -2.256 -9.919 1.00 0.37 N ATOM 875 CA LEU A 60 2.388 -2.184 -10.944 1.00 0.45 C ATOM 876 C LEU A 60 2.820 -3.564 -11.418 1.00 0.39 C ATOM 877 O LEU A 60 2.848 -4.523 -10.648 1.00 0.38 O ATOM 878 CB LEU A 60 3.585 -1.383 -10.413 1.00 0.56 C ATOM 879 CG LEU A 60 4.966 -1.868 -10.856 1.00 0.48 C ATOM 880 CD1 LEU A 60 5.967 -0.728 -10.804 1.00 0.44 C ATOM 881 CD2 LEU A 60 5.430 -3.015 -9.968 1.00 0.98 C ATOM 0 H LEU A 60 1.701 -2.547 -9.002 1.00 0.37 H new ATOM 0 HA LEU A 60 1.969 -1.674 -11.812 1.00 0.45 H new ATOM 0 HB2 LEU A 60 3.469 -0.345 -10.725 1.00 0.56 H new ATOM 0 HB3 LEU A 60 3.550 -1.395 -9.324 1.00 0.56 H new ATOM 0 HG LEU A 60 4.897 -2.225 -11.884 1.00 0.48 H new ATOM 0 HD11 LEU A 60 6.945 -1.088 -11.122 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.642 0.073 -11.468 1.00 0.44 H new ATOM 0 HD13 LEU A 60 6.034 -0.349 -9.784 1.00 0.44 H new ATOM 0 HD21 LEU A 60 6.414 -3.352 -10.293 1.00 0.98 H new ATOM 0 HD22 LEU A 60 5.486 -2.675 -8.934 1.00 0.98 H new ATOM 0 HD23 LEU A 60 4.722 -3.841 -10.040 1.00 0.98 H new ATOM 893 N GLU A 61 3.173 -3.641 -12.695 1.00 0.39 N ATOM 894 CA GLU A 61 3.627 -4.886 -13.293 1.00 0.38 C ATOM 895 C GLU A 61 5.100 -5.102 -12.978 1.00 0.36 C ATOM 896 O GLU A 61 5.975 -4.595 -13.682 1.00 0.38 O ATOM 897 CB GLU A 61 3.416 -4.855 -14.807 1.00 0.44 C ATOM 898 CG GLU A 61 1.980 -4.575 -15.212 1.00 1.08 C ATOM 899 CD GLU A 61 1.777 -4.603 -16.715 1.00 1.06 C ATOM 900 OE1 GLU A 61 2.763 -4.841 -17.443 1.00 1.24 O ATOM 901 OE2 GLU A 61 0.631 -4.392 -17.165 1.00 1.39 O ATOM 0 H GLU A 61 3.153 -2.850 -13.338 1.00 0.39 H new ATOM 0 HA GLU A 61 3.047 -5.709 -12.876 1.00 0.38 H new ATOM 0 HB2 GLU A 61 4.063 -4.092 -15.241 1.00 0.44 H new ATOM 0 HB3 GLU A 61 3.724 -5.812 -15.229 1.00 0.44 H new ATOM 0 HG2 GLU A 61 1.326 -5.313 -14.748 1.00 1.08 H new ATOM 0 HG3 GLU A 61 1.683 -3.599 -14.828 1.00 1.08 H new ATOM 908 N THR A 62 5.370 -5.847 -11.914 1.00 0.39 N ATOM 909 CA THR A 62 6.734 -6.118 -11.509 1.00 0.43 C ATOM 910 C THR A 62 7.248 -7.399 -12.143 1.00 0.39 C ATOM 911 O THR A 62 6.505 -8.152 -12.773 1.00 0.43 O ATOM 912 CB THR A 62 6.836 -6.217 -9.980 1.00 0.54 C ATOM 913 OG1 THR A 62 8.110 -6.691 -9.585 1.00 1.47 O ATOM 914 CG2 THR A 62 5.795 -7.123 -9.365 1.00 1.02 C ATOM 0 H THR A 62 4.659 -6.272 -11.319 1.00 0.39 H new ATOM 0 HA THR A 62 7.352 -5.288 -11.853 1.00 0.43 H new ATOM 0 HB THR A 62 6.667 -5.202 -9.619 1.00 0.54 H new ATOM 0 HG1 THR A 62 8.075 -6.984 -8.650 1.00 1.47 H new ATOM 0 HG21 THR A 62 5.926 -7.146 -8.283 1.00 1.02 H new ATOM 0 HG22 THR A 62 4.800 -6.747 -9.602 1.00 1.02 H new ATOM 0 HG23 THR A 62 5.907 -8.131 -9.765 1.00 1.02 H new ATOM 922 N SER A 63 8.525 -7.632 -11.938 1.00 0.40 N ATOM 923 CA SER A 63 9.201 -8.815 -12.439 1.00 0.44 C ATOM 924 C SER A 63 10.185 -9.245 -11.374 1.00 0.44 C ATOM 925 O SER A 63 10.964 -10.186 -11.534 1.00 0.64 O ATOM 926 CB SER A 63 9.913 -8.510 -13.756 1.00 0.56 C ATOM 927 OG SER A 63 8.986 -8.152 -14.764 1.00 1.23 O ATOM 0 H SER A 63 9.132 -7.002 -11.414 1.00 0.40 H new ATOM 0 HA SER A 63 8.489 -9.614 -12.644 1.00 0.44 H new ATOM 0 HB2 SER A 63 10.626 -7.699 -13.608 1.00 0.56 H new ATOM 0 HB3 SER A 63 10.484 -9.382 -14.075 1.00 0.56 H new ATOM 0 HG SER A 63 9.466 -7.960 -15.597 1.00 1.23 H new ATOM 933 N LEU A 64 10.107 -8.509 -10.278 1.00 0.39 N ATOM 934 CA LEU A 64 10.929 -8.709 -9.110 1.00 0.38 C ATOM 935 C LEU A 64 10.037 -8.815 -7.884 1.00 0.35 C ATOM 936 O LEU A 64 9.557 -7.802 -7.375 1.00 0.39 O ATOM 937 CB LEU A 64 11.890 -7.534 -8.944 1.00 0.42 C ATOM 938 CG LEU A 64 11.365 -6.180 -9.430 1.00 0.50 C ATOM 939 CD1 LEU A 64 12.106 -5.052 -8.733 1.00 0.78 C ATOM 940 CD2 LEU A 64 11.524 -6.055 -10.940 1.00 0.84 C ATOM 0 H LEU A 64 9.449 -7.735 -10.180 1.00 0.39 H new ATOM 0 HA LEU A 64 11.506 -9.626 -9.225 1.00 0.38 H new ATOM 0 HB2 LEU A 64 12.150 -7.446 -7.889 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.811 -7.761 -9.481 1.00 0.42 H new ATOM 0 HG LEU A 64 10.305 -6.113 -9.186 1.00 0.50 H new ATOM 0 HD11 LEU A 64 11.725 -4.094 -9.086 1.00 0.78 H new ATOM 0 HD12 LEU A 64 11.955 -5.128 -7.656 1.00 0.78 H new ATOM 0 HD13 LEU A 64 13.171 -5.124 -8.956 1.00 0.78 H new ATOM 0 HD21 LEU A 64 11.145 -5.086 -11.267 1.00 0.84 H new ATOM 0 HD22 LEU A 64 12.578 -6.140 -11.203 1.00 0.84 H new ATOM 0 HD23 LEU A 64 10.962 -6.849 -11.432 1.00 0.84 H new ATOM 952 N ALA A 65 9.810 -10.040 -7.423 1.00 0.38 N ATOM 953 CA ALA A 65 8.964 -10.271 -6.260 1.00 0.42 C ATOM 954 C ALA A 65 9.203 -9.207 -5.195 1.00 0.39 C ATOM 955 O ALA A 65 10.342 -8.803 -4.974 1.00 0.38 O ATOM 956 CB ALA A 65 9.221 -11.659 -5.689 1.00 0.52 C ATOM 0 H ALA A 65 10.200 -10.887 -7.837 1.00 0.38 H new ATOM 0 HA ALA A 65 7.923 -10.208 -6.576 1.00 0.42 H new ATOM 0 HB1 ALA A 65 8.582 -11.819 -4.820 1.00 0.52 H new ATOM 0 HB2 ALA A 65 8.999 -12.411 -6.446 1.00 0.52 H new ATOM 0 HB3 ALA A 65 10.266 -11.742 -5.391 1.00 0.52 H new ATOM 962 N PRO A 66 8.126 -8.724 -4.542 1.00 0.44 N ATOM 963 CA PRO A 66 8.188 -7.693 -3.502 1.00 0.47 C ATOM 964 C PRO A 66 9.449 -7.726 -2.653 1.00 0.45 C ATOM 965 O PRO A 66 9.848 -6.716 -2.095 1.00 0.49 O ATOM 966 CB PRO A 66 6.972 -8.039 -2.664 1.00 0.55 C ATOM 967 CG PRO A 66 5.965 -8.421 -3.683 1.00 0.57 C ATOM 968 CD PRO A 66 6.728 -9.131 -4.779 1.00 0.50 C ATOM 0 HA PRO A 66 8.203 -6.689 -3.925 1.00 0.47 H new ATOM 0 HB2 PRO A 66 7.177 -8.856 -1.973 1.00 0.55 H new ATOM 0 HB3 PRO A 66 6.639 -7.191 -2.065 1.00 0.55 H new ATOM 0 HG2 PRO A 66 5.203 -9.072 -3.254 1.00 0.57 H new ATOM 0 HG3 PRO A 66 5.451 -7.542 -4.072 1.00 0.57 H new ATOM 0 HD2 PRO A 66 6.608 -10.213 -4.716 1.00 0.50 H new ATOM 0 HD3 PRO A 66 6.384 -8.829 -5.768 1.00 0.50 H new ATOM 976 N GLU A 67 10.098 -8.868 -2.569 1.00 0.45 N ATOM 977 CA GLU A 67 11.317 -8.951 -1.802 1.00 0.49 C ATOM 978 C GLU A 67 12.256 -7.875 -2.318 1.00 0.44 C ATOM 979 O GLU A 67 12.758 -7.039 -1.566 1.00 0.47 O ATOM 980 CB GLU A 67 11.923 -10.343 -1.949 1.00 0.52 C ATOM 981 CG GLU A 67 10.915 -11.448 -1.679 1.00 0.71 C ATOM 982 CD GLU A 67 11.458 -12.829 -1.991 1.00 0.77 C ATOM 983 OE1 GLU A 67 12.466 -13.225 -1.369 1.00 1.06 O ATOM 984 OE2 GLU A 67 10.875 -13.514 -2.857 1.00 1.20 O ATOM 0 H GLU A 67 9.806 -9.737 -3.015 1.00 0.45 H new ATOM 0 HA GLU A 67 11.130 -8.790 -0.740 1.00 0.49 H new ATOM 0 HB2 GLU A 67 12.322 -10.458 -2.957 1.00 0.52 H new ATOM 0 HB3 GLU A 67 12.762 -10.445 -1.261 1.00 0.52 H new ATOM 0 HG2 GLU A 67 10.613 -11.410 -0.633 1.00 0.71 H new ATOM 0 HG3 GLU A 67 10.020 -11.271 -2.276 1.00 0.71 H new ATOM 991 N GLU A 68 12.433 -7.883 -3.629 1.00 0.40 N ATOM 992 CA GLU A 68 13.262 -6.910 -4.315 1.00 0.39 C ATOM 993 C GLU A 68 12.534 -5.571 -4.442 1.00 0.35 C ATOM 994 O GLU A 68 13.070 -4.525 -4.076 1.00 0.40 O ATOM 995 CB GLU A 68 13.609 -7.438 -5.702 1.00 0.41 C ATOM 996 CG GLU A 68 14.179 -8.847 -5.691 1.00 0.97 C ATOM 997 CD GLU A 68 14.668 -9.293 -7.054 1.00 1.52 C ATOM 998 OE1 GLU A 68 14.594 -8.488 -8.007 1.00 1.90 O ATOM 999 OE2 GLU A 68 15.129 -10.448 -7.169 1.00 2.06 O ATOM 0 H GLU A 68 12.003 -8.569 -4.249 1.00 0.40 H new ATOM 0 HA GLU A 68 14.173 -6.753 -3.737 1.00 0.39 H new ATOM 0 HB2 GLU A 68 12.713 -7.422 -6.322 1.00 0.41 H new ATOM 0 HB3 GLU A 68 14.331 -6.767 -6.167 1.00 0.41 H new ATOM 0 HG2 GLU A 68 15.004 -8.895 -4.980 1.00 0.97 H new ATOM 0 HG3 GLU A 68 13.415 -9.540 -5.339 1.00 0.97 H new ATOM 1006 N LEU A 69 11.311 -5.616 -4.974 1.00 0.32 N ATOM 1007 CA LEU A 69 10.500 -4.413 -5.166 1.00 0.33 C ATOM 1008 C LEU A 69 10.342 -3.624 -3.870 1.00 0.34 C ATOM 1009 O LEU A 69 10.704 -2.449 -3.808 1.00 0.44 O ATOM 1010 CB LEU A 69 9.123 -4.795 -5.717 1.00 0.38 C ATOM 1011 CG LEU A 69 7.967 -3.866 -5.319 1.00 0.44 C ATOM 1012 CD1 LEU A 69 8.108 -2.512 -5.990 1.00 0.66 C ATOM 1013 CD2 LEU A 69 6.621 -4.499 -5.653 1.00 0.67 C ATOM 0 H LEU A 69 10.859 -6.477 -5.281 1.00 0.32 H new ATOM 0 HA LEU A 69 11.017 -3.774 -5.882 1.00 0.33 H new ATOM 0 HB2 LEU A 69 9.183 -4.825 -6.805 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.885 -5.805 -5.383 1.00 0.38 H new ATOM 0 HG LEU A 69 8.011 -3.716 -4.240 1.00 0.44 H new ATOM 0 HD11 LEU A 69 7.278 -1.871 -5.693 1.00 0.66 H new ATOM 0 HD12 LEU A 69 9.048 -2.052 -5.687 1.00 0.66 H new ATOM 0 HD13 LEU A 69 8.099 -2.640 -7.072 1.00 0.66 H new ATOM 0 HD21 LEU A 69 5.818 -3.822 -5.362 1.00 0.67 H new ATOM 0 HD22 LEU A 69 6.564 -4.689 -6.725 1.00 0.67 H new ATOM 0 HD23 LEU A 69 6.517 -5.439 -5.112 1.00 0.67 H new ATOM 1025 N LEU A 70 9.800 -4.270 -2.839 1.00 0.39 N ATOM 1026 CA LEU A 70 9.604 -3.611 -1.555 1.00 0.47 C ATOM 1027 C LEU A 70 10.894 -2.935 -1.118 1.00 0.44 C ATOM 1028 O LEU A 70 10.871 -1.802 -0.649 1.00 0.47 O ATOM 1029 CB LEU A 70 9.136 -4.598 -0.478 1.00 0.62 C ATOM 1030 CG LEU A 70 7.817 -5.318 -0.770 1.00 0.99 C ATOM 1031 CD1 LEU A 70 7.524 -6.345 0.312 1.00 1.48 C ATOM 1032 CD2 LEU A 70 6.675 -4.324 -0.878 1.00 1.65 C ATOM 0 H LEU A 70 9.492 -5.242 -2.870 1.00 0.39 H new ATOM 0 HA LEU A 70 8.823 -2.861 -1.679 1.00 0.47 H new ATOM 0 HB2 LEU A 70 9.914 -5.347 -0.334 1.00 0.62 H new ATOM 0 HB3 LEU A 70 9.034 -4.059 0.464 1.00 0.62 H new ATOM 0 HG LEU A 70 7.913 -5.835 -1.725 1.00 0.99 H new ATOM 0 HD11 LEU A 70 6.583 -6.849 0.090 1.00 1.48 H new ATOM 0 HD12 LEU A 70 8.329 -7.079 0.345 1.00 1.48 H new ATOM 0 HD13 LEU A 70 7.449 -5.845 1.278 1.00 1.48 H new ATOM 0 HD21 LEU A 70 5.747 -4.857 -1.086 1.00 1.65 H new ATOM 0 HD22 LEU A 70 6.578 -3.778 0.061 1.00 1.65 H new ATOM 0 HD23 LEU A 70 6.879 -3.622 -1.686 1.00 1.65 H new ATOM 1044 N ASN A 71 12.025 -3.625 -1.292 1.00 0.46 N ATOM 1045 CA ASN A 71 13.317 -3.053 -0.924 1.00 0.50 C ATOM 1046 C ASN A 71 13.541 -1.709 -1.601 1.00 0.41 C ATOM 1047 O ASN A 71 13.812 -0.725 -0.928 1.00 0.44 O ATOM 1048 CB ASN A 71 14.468 -4.004 -1.263 1.00 0.59 C ATOM 1049 CG ASN A 71 14.743 -5.002 -0.155 1.00 0.79 C ATOM 1050 OD1 ASN A 71 14.872 -4.629 1.011 1.00 1.59 O ATOM 1051 ND2 ASN A 71 14.863 -6.272 -0.515 1.00 0.72 N ATOM 0 H ASN A 71 12.070 -4.567 -1.680 1.00 0.46 H new ATOM 0 HA ASN A 71 13.300 -2.901 0.155 1.00 0.50 H new ATOM 0 HB2 ASN A 71 14.232 -4.542 -2.181 1.00 0.59 H new ATOM 0 HB3 ASN A 71 15.370 -3.423 -1.456 1.00 0.59 H new ATOM 0 HD21 ASN A 71 15.070 -6.983 0.186 1.00 0.72 H new ATOM 0 HD22 ASN A 71 14.748 -6.538 -1.493 1.00 0.72 H new ATOM 1058 N HIS A 72 13.442 -1.669 -2.927 1.00 0.37 N ATOM 1059 CA HIS A 72 13.658 -0.428 -3.665 1.00 0.35 C ATOM 1060 C HIS A 72 12.785 0.706 -3.146 1.00 0.32 C ATOM 1061 O HIS A 72 13.297 1.735 -2.705 1.00 0.35 O ATOM 1062 CB HIS A 72 13.401 -0.636 -5.158 1.00 0.39 C ATOM 1063 CG HIS A 72 14.355 -1.592 -5.803 1.00 0.57 C ATOM 1064 ND1 HIS A 72 15.720 -1.394 -5.827 1.00 1.07 N ATOM 1065 CD2 HIS A 72 14.136 -2.762 -6.451 1.00 0.61 C ATOM 1066 CE1 HIS A 72 16.299 -2.399 -6.461 1.00 1.40 C ATOM 1067 NE2 HIS A 72 15.360 -3.242 -6.848 1.00 1.11 N ATOM 0 H HIS A 72 13.215 -2.475 -3.509 1.00 0.37 H new ATOM 0 HA HIS A 72 14.700 -0.146 -3.513 1.00 0.35 H new ATOM 0 HB2 HIS A 72 12.384 -1.003 -5.295 1.00 0.39 H new ATOM 0 HB3 HIS A 72 13.464 0.326 -5.666 1.00 0.39 H new ATOM 0 HD1 HIS A 72 16.207 -0.596 -5.419 1.00 1.07 H new ATOM 0 HD2 HIS A 72 13.178 -3.230 -6.623 1.00 0.61 H new ATOM 0 HE1 HIS A 72 17.359 -2.511 -6.633 1.00 1.40 H new ATOM 1076 N THR A 73 11.474 0.527 -3.216 1.00 0.34 N ATOM 1077 CA THR A 73 10.551 1.562 -2.761 1.00 0.38 C ATOM 1078 C THR A 73 10.815 1.952 -1.300 1.00 0.36 C ATOM 1079 O THR A 73 10.808 3.136 -0.948 1.00 0.36 O ATOM 1080 CB THR A 73 9.109 1.088 -2.946 1.00 0.47 C ATOM 1081 OG1 THR A 73 8.201 2.008 -2.372 1.00 0.77 O ATOM 1082 CG2 THR A 73 8.844 -0.274 -2.344 1.00 0.61 C ATOM 0 H THR A 73 11.027 -0.315 -3.579 1.00 0.34 H new ATOM 0 HA THR A 73 10.713 2.454 -3.366 1.00 0.38 H new ATOM 0 HB THR A 73 8.962 1.018 -4.024 1.00 0.47 H new ATOM 0 HG1 THR A 73 7.302 1.844 -2.725 1.00 0.77 H new ATOM 0 HG21 THR A 73 7.803 -0.549 -2.511 1.00 0.61 H new ATOM 0 HG22 THR A 73 9.494 -1.012 -2.814 1.00 0.61 H new ATOM 0 HG23 THR A 73 9.044 -0.244 -1.273 1.00 0.61 H new ATOM 1090 N GLN A 74 11.058 0.955 -0.458 1.00 0.39 N ATOM 1091 CA GLN A 74 11.327 1.195 0.955 1.00 0.42 C ATOM 1092 C GLN A 74 12.743 1.718 1.151 1.00 0.41 C ATOM 1093 O GLN A 74 13.061 2.298 2.187 1.00 0.50 O ATOM 1094 CB GLN A 74 11.130 -0.084 1.770 1.00 0.49 C ATOM 1095 CG GLN A 74 12.309 -1.046 1.722 1.00 1.45 C ATOM 1096 CD GLN A 74 12.115 -2.241 2.638 1.00 1.87 C ATOM 1097 OE1 GLN A 74 12.053 -3.432 2.053 1.00 2.25 O flip ATOM 1098 NE2 GLN A 74 12.017 -2.094 3.856 1.00 2.54 N flip ATOM 0 H GLN A 74 11.074 -0.028 -0.729 1.00 0.39 H new ATOM 0 HA GLN A 74 10.621 1.947 1.307 1.00 0.42 H new ATOM 0 HB2 GLN A 74 10.939 0.187 2.808 1.00 0.49 H new ATOM 0 HB3 GLN A 74 10.241 -0.599 1.406 1.00 0.49 H new ATOM 0 HG2 GLN A 74 12.449 -1.394 0.699 1.00 1.45 H new ATOM 0 HG3 GLN A 74 13.219 -0.517 2.006 1.00 1.45 H new ATOM 0 HE21 GLN A 74 12.070 -1.160 4.263 1.00 2.54 H new ATOM 0 HE22 GLN A 74 11.882 -2.906 4.458 1.00 2.54 H new ATOM 1107 N ARG A 75 13.585 1.528 0.141 1.00 0.37 N ATOM 1108 CA ARG A 75 14.960 2.003 0.206 1.00 0.41 C ATOM 1109 C ARG A 75 14.967 3.508 0.081 1.00 0.39 C ATOM 1110 O ARG A 75 15.821 4.193 0.644 1.00 0.43 O ATOM 1111 CB ARG A 75 15.820 1.373 -0.892 1.00 0.48 C ATOM 1112 CG ARG A 75 16.496 0.078 -0.473 1.00 0.89 C ATOM 1113 CD ARG A 75 17.314 -0.517 -1.609 1.00 0.88 C ATOM 1114 NE ARG A 75 17.954 -1.775 -1.225 1.00 1.59 N ATOM 1115 CZ ARG A 75 18.870 -1.880 -0.266 1.00 2.26 C ATOM 1116 NH1 ARG A 75 19.275 -0.802 0.393 1.00 2.72 N ATOM 1117 NH2 ARG A 75 19.386 -3.064 0.030 1.00 3.06 N ATOM 0 H ARG A 75 13.341 1.051 -0.727 1.00 0.37 H new ATOM 0 HA ARG A 75 15.388 1.710 1.164 1.00 0.41 H new ATOM 0 HB2 ARG A 75 15.195 1.180 -1.764 1.00 0.48 H new ATOM 0 HB3 ARG A 75 16.583 2.088 -1.198 1.00 0.48 H new ATOM 0 HG2 ARG A 75 17.143 0.265 0.384 1.00 0.89 H new ATOM 0 HG3 ARG A 75 15.742 -0.640 -0.152 1.00 0.89 H new ATOM 0 HD2 ARG A 75 16.668 -0.687 -2.470 1.00 0.88 H new ATOM 0 HD3 ARG A 75 18.077 0.197 -1.919 1.00 0.88 H new ATOM 0 HE ARG A 75 17.682 -2.623 -1.722 1.00 1.59 H new ATOM 0 HH11 ARG A 75 18.884 0.112 0.165 1.00 2.72 H new ATOM 0 HH12 ARG A 75 19.978 -0.887 1.128 1.00 2.72 H new ATOM 0 HH21 ARG A 75 19.081 -3.895 -0.477 1.00 3.06 H new ATOM 0 HH22 ARG A 75 20.088 -3.145 0.765 1.00 3.06 H new ATOM 1131 N ILE A 76 13.983 4.016 -0.644 1.00 0.38 N ATOM 1132 CA ILE A 76 13.846 5.440 -0.830 1.00 0.41 C ATOM 1133 C ILE A 76 13.433 6.088 0.477 1.00 0.42 C ATOM 1134 O ILE A 76 14.068 7.031 0.924 1.00 0.44 O ATOM 1135 CB ILE A 76 12.814 5.780 -1.917 1.00 0.45 C ATOM 1136 CG1 ILE A 76 13.178 5.076 -3.224 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.733 7.285 -2.120 1.00 0.50 C ATOM 1138 CD1 ILE A 76 14.529 5.474 -3.781 1.00 0.83 C ATOM 0 H ILE A 76 13.269 3.457 -1.111 1.00 0.38 H new ATOM 0 HA ILE A 76 14.813 5.826 -1.153 1.00 0.41 H new ATOM 0 HB ILE A 76 11.834 5.428 -1.595 1.00 0.45 H new ATOM 0 HG12 ILE A 76 13.167 3.998 -3.060 1.00 0.55 H new ATOM 0 HG13 ILE A 76 12.411 5.293 -3.968 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.998 7.509 -2.893 1.00 0.50 H new ATOM 0 HG22 ILE A 76 12.435 7.763 -1.187 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.708 7.664 -2.426 1.00 0.50 H new ATOM 0 HD11 ILE A 76 14.714 4.932 -4.708 1.00 0.83 H new ATOM 0 HD12 ILE A 76 14.540 6.546 -3.979 1.00 0.83 H new ATOM 0 HD13 ILE A 76 15.307 5.231 -3.057 1.00 0.83 H new ATOM 1150 N GLU A 77 12.373 5.566 1.099 1.00 0.44 N ATOM 1151 CA GLU A 77 11.913 6.118 2.368 1.00 0.47 C ATOM 1152 C GLU A 77 13.011 6.006 3.422 1.00 0.48 C ATOM 1153 O GLU A 77 13.027 6.756 4.399 1.00 0.54 O ATOM 1154 CB GLU A 77 10.617 5.447 2.842 1.00 0.50 C ATOM 1155 CG GLU A 77 10.742 3.972 3.195 1.00 0.66 C ATOM 1156 CD GLU A 77 11.356 3.747 4.562 1.00 0.97 C ATOM 1157 OE1 GLU A 77 10.806 4.270 5.554 1.00 1.43 O ATOM 1158 OE2 GLU A 77 12.380 3.043 4.645 1.00 1.32 O ATOM 0 H GLU A 77 11.828 4.777 0.750 1.00 0.44 H new ATOM 0 HA GLU A 77 11.687 7.173 2.214 1.00 0.47 H new ATOM 0 HB2 GLU A 77 10.248 5.983 3.716 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.864 5.555 2.061 1.00 0.50 H new ATOM 0 HG2 GLU A 77 9.755 3.511 3.164 1.00 0.66 H new ATOM 0 HG3 GLU A 77 11.351 3.473 2.441 1.00 0.66 H new ATOM 1165 N LEU A 78 13.952 5.089 3.199 1.00 0.45 N ATOM 1166 CA LEU A 78 15.077 4.912 4.110 1.00 0.49 C ATOM 1167 C LEU A 78 16.030 6.090 3.972 1.00 0.49 C ATOM 1168 O LEU A 78 16.696 6.489 4.928 1.00 0.59 O ATOM 1169 CB LEU A 78 15.827 3.608 3.810 1.00 0.53 C ATOM 1170 CG LEU A 78 15.151 2.326 4.300 1.00 0.88 C ATOM 1171 CD1 LEU A 78 15.908 1.102 3.807 1.00 1.66 C ATOM 1172 CD2 LEU A 78 15.064 2.318 5.820 1.00 1.52 C ATOM 0 H LEU A 78 13.956 4.459 2.396 1.00 0.45 H new ATOM 0 HA LEU A 78 14.692 4.861 5.129 1.00 0.49 H new ATOM 0 HB2 LEU A 78 15.970 3.532 2.732 1.00 0.53 H new ATOM 0 HB3 LEU A 78 16.818 3.669 4.259 1.00 0.53 H new ATOM 0 HG LEU A 78 14.140 2.294 3.894 1.00 0.88 H new ATOM 0 HD11 LEU A 78 15.413 0.199 4.165 1.00 1.66 H new ATOM 0 HD12 LEU A 78 15.924 1.099 2.717 1.00 1.66 H new ATOM 0 HD13 LEU A 78 16.930 1.130 4.185 1.00 1.66 H new ATOM 0 HD21 LEU A 78 14.581 1.399 6.152 1.00 1.52 H new ATOM 0 HD22 LEU A 78 16.067 2.373 6.242 1.00 1.52 H new ATOM 0 HD23 LEU A 78 14.482 3.176 6.156 1.00 1.52 H new ATOM 1184 N GLN A 79 16.087 6.638 2.761 1.00 0.47 N ATOM 1185 CA GLN A 79 16.951 7.772 2.464 1.00 0.52 C ATOM 1186 C GLN A 79 16.128 9.011 2.104 1.00 0.53 C ATOM 1187 O GLN A 79 16.677 10.041 1.712 1.00 0.72 O ATOM 1188 CB GLN A 79 17.913 7.408 1.328 1.00 0.63 C ATOM 1189 CG GLN A 79 17.222 6.846 0.091 1.00 1.12 C ATOM 1190 CD GLN A 79 16.731 7.920 -0.868 1.00 1.67 C ATOM 1191 OE1 GLN A 79 15.991 7.630 -1.808 1.00 2.24 O ATOM 1192 NE2 GLN A 79 17.157 9.160 -0.654 1.00 2.32 N ATOM 0 H GLN A 79 15.540 6.310 1.965 1.00 0.47 H new ATOM 0 HA GLN A 79 17.532 8.010 3.355 1.00 0.52 H new ATOM 0 HB2 GLN A 79 18.478 8.296 1.045 1.00 0.63 H new ATOM 0 HB3 GLN A 79 18.632 6.676 1.695 1.00 0.63 H new ATOM 0 HG2 GLN A 79 17.914 6.188 -0.435 1.00 1.12 H new ATOM 0 HG3 GLN A 79 16.376 6.234 0.403 1.00 1.12 H new ATOM 0 HE21 GLN A 79 17.770 9.359 0.137 1.00 2.32 H new ATOM 0 HE22 GLN A 79 16.871 9.913 -1.280 1.00 2.32 H new ATOM 1201 N GLN A 80 14.808 8.905 2.254 1.00 0.61 N ATOM 1202 CA GLN A 80 13.908 10.013 1.953 1.00 0.72 C ATOM 1203 C GLN A 80 13.065 10.386 3.171 1.00 0.88 C ATOM 1204 O GLN A 80 12.485 11.471 3.224 1.00 1.15 O ATOM 1205 CB GLN A 80 13.014 9.681 0.746 1.00 0.74 C ATOM 1206 CG GLN A 80 13.673 9.996 -0.585 1.00 1.27 C ATOM 1207 CD GLN A 80 14.017 11.466 -0.734 1.00 1.51 C ATOM 1208 OE1 GLN A 80 15.300 11.757 -0.908 1.00 2.00 O flip ATOM 1209 NE2 GLN A 80 13.140 12.329 -0.694 1.00 2.07 N flip ATOM 0 H GLN A 80 14.340 8.061 2.583 1.00 0.61 H new ATOM 0 HA GLN A 80 14.519 10.878 1.694 1.00 0.72 H new ATOM 0 HB2 GLN A 80 12.753 8.623 0.774 1.00 0.74 H new ATOM 0 HB3 GLN A 80 12.083 10.242 0.826 1.00 0.74 H new ATOM 0 HG2 GLN A 80 14.582 9.402 -0.686 1.00 1.27 H new ATOM 0 HG3 GLN A 80 13.007 9.699 -1.395 1.00 1.27 H new ATOM 0 HE21 GLN A 80 12.166 12.060 -0.558 1.00 2.07 H new ATOM 0 HE22 GLN A 80 13.388 13.313 -0.797 1.00 2.07 H new ATOM 1218 N GLY A 81 13.017 9.489 4.152 1.00 0.99 N ATOM 1219 CA GLY A 81 12.264 9.746 5.365 1.00 1.25 C ATOM 1220 C GLY A 81 13.042 9.359 6.605 1.00 1.79 C ATOM 1221 O GLY A 81 12.459 9.066 7.649 1.00 2.18 O ATOM 0 H GLY A 81 13.489 8.585 4.127 1.00 0.99 H new ATOM 0 HA2 GLY A 81 12.005 10.804 5.414 1.00 1.25 H new ATOM 0 HA3 GLY A 81 11.327 9.189 5.336 1.00 1.25 H new ATOM 1225 N ARG A 82 14.367 9.354 6.486 1.00 2.09 N ATOM 1226 CA ARG A 82 15.238 8.995 7.599 1.00 2.89 C ATOM 1227 C ARG A 82 16.611 9.654 7.443 1.00 2.71 C ATOM 1228 O ARG A 82 17.591 9.234 8.062 1.00 3.22 O ATOM 1229 CB ARG A 82 15.387 7.468 7.664 1.00 3.76 C ATOM 1230 CG ARG A 82 16.057 6.960 8.934 1.00 4.75 C ATOM 1231 CD ARG A 82 15.186 7.192 10.160 1.00 5.59 C ATOM 1232 NE ARG A 82 15.828 6.727 11.388 1.00 6.37 N ATOM 1233 CZ ARG A 82 16.138 5.454 11.627 1.00 7.14 C ATOM 1234 NH1 ARG A 82 15.849 4.515 10.736 1.00 7.29 N ATOM 1235 NH2 ARG A 82 16.736 5.119 12.763 1.00 8.02 N ATOM 0 H ARG A 82 14.861 9.595 5.627 1.00 2.09 H new ATOM 0 HA ARG A 82 14.791 9.353 8.526 1.00 2.89 H new ATOM 0 HB2 ARG A 82 14.400 7.014 7.581 1.00 3.76 H new ATOM 0 HB3 ARG A 82 15.965 7.134 6.803 1.00 3.76 H new ATOM 0 HG2 ARG A 82 16.268 5.895 8.833 1.00 4.75 H new ATOM 0 HG3 ARG A 82 17.014 7.464 9.067 1.00 4.75 H new ATOM 0 HD2 ARG A 82 14.962 8.255 10.249 1.00 5.59 H new ATOM 0 HD3 ARG A 82 14.235 6.676 10.031 1.00 5.59 H new ATOM 0 HE ARG A 82 16.052 7.418 12.104 1.00 6.37 H new ATOM 0 HH11 ARG A 82 15.387 4.766 9.862 1.00 7.29 H new ATOM 0 HH12 ARG A 82 16.089 3.542 10.925 1.00 7.29 H new ATOM 0 HH21 ARG A 82 16.958 5.836 13.453 1.00 8.02 H new ATOM 0 HH22 ARG A 82 16.973 4.144 12.946 1.00 8.02 H new ATOM 1249 N VAL A 83 16.678 10.691 6.608 1.00 2.65 N ATOM 1250 CA VAL A 83 17.931 11.402 6.371 1.00 2.95 C ATOM 1251 C VAL A 83 17.853 12.854 6.833 1.00 2.78 C ATOM 1252 O VAL A 83 18.840 13.411 7.315 1.00 3.48 O ATOM 1253 CB VAL A 83 18.326 11.371 4.883 1.00 3.70 C ATOM 1254 CG1 VAL A 83 19.601 12.167 4.642 1.00 4.50 C ATOM 1255 CG2 VAL A 83 18.497 9.937 4.411 1.00 4.33 C ATOM 0 H VAL A 83 15.881 11.055 6.086 1.00 2.65 H new ATOM 0 HA VAL A 83 18.692 10.884 6.955 1.00 2.95 H new ATOM 0 HB VAL A 83 17.524 11.834 4.308 1.00 3.70 H new ATOM 0 HG11 VAL A 83 19.859 12.130 3.584 1.00 4.50 H new ATOM 0 HG12 VAL A 83 19.445 13.203 4.941 1.00 4.50 H new ATOM 0 HG13 VAL A 83 20.414 11.739 5.229 1.00 4.50 H new ATOM 0 HG21 VAL A 83 18.776 9.932 3.357 1.00 4.33 H new ATOM 0 HG22 VAL A 83 19.279 9.452 4.996 1.00 4.33 H new ATOM 0 HG23 VAL A 83 17.559 9.397 4.541 1.00 4.33 H new ATOM 1265 N ARG A 84 16.678 13.464 6.689 1.00 2.54 N ATOM 1266 CA ARG A 84 16.488 14.850 7.102 1.00 3.37 C ATOM 1267 C ARG A 84 16.948 15.037 8.541 1.00 3.75 C ATOM 1268 O ARG A 84 17.508 16.074 8.901 1.00 4.35 O ATOM 1269 CB ARG A 84 15.019 15.254 6.958 1.00 3.92 C ATOM 1270 CG ARG A 84 14.059 14.338 7.701 1.00 4.19 C ATOM 1271 CD ARG A 84 12.618 14.802 7.555 1.00 5.23 C ATOM 1272 NE ARG A 84 12.189 14.834 6.159 1.00 5.75 N ATOM 1273 CZ ARG A 84 10.974 15.208 5.768 1.00 6.40 C ATOM 1274 NH1 ARG A 84 10.074 15.591 6.664 1.00 6.67 N ATOM 1275 NH2 ARG A 84 10.659 15.203 4.479 1.00 7.08 N ATOM 0 H ARG A 84 15.849 13.022 6.292 1.00 2.54 H new ATOM 0 HA ARG A 84 17.088 15.491 6.456 1.00 3.37 H new ATOM 0 HB2 ARG A 84 14.893 16.273 7.325 1.00 3.92 H new ATOM 0 HB3 ARG A 84 14.755 15.262 5.900 1.00 3.92 H new ATOM 0 HG2 ARG A 84 14.155 13.322 7.319 1.00 4.19 H new ATOM 0 HG3 ARG A 84 14.327 14.308 8.757 1.00 4.19 H new ATOM 0 HD2 ARG A 84 11.965 14.137 8.119 1.00 5.23 H new ATOM 0 HD3 ARG A 84 12.512 15.796 7.989 1.00 5.23 H new ATOM 0 HE ARG A 84 12.859 14.554 5.443 1.00 5.75 H new ATOM 0 HH11 ARG A 84 10.313 15.599 7.656 1.00 6.67 H new ATOM 0 HH12 ARG A 84 9.143 15.877 6.361 1.00 6.67 H new ATOM 0 HH21 ARG A 84 11.349 14.912 3.786 1.00 7.08 H new ATOM 0 HH22 ARG A 84 9.727 15.490 4.181 1.00 7.08 H new ATOM 1289 N LYS A 85 16.713 14.010 9.351 1.00 4.00 N ATOM 1290 CA LYS A 85 17.098 14.012 10.755 1.00 4.93 C ATOM 1291 C LYS A 85 16.641 12.709 11.401 1.00 5.06 C ATOM 1292 O LYS A 85 16.228 12.679 12.561 1.00 5.81 O ATOM 1293 CB LYS A 85 16.488 15.217 11.483 1.00 5.72 C ATOM 1294 CG LYS A 85 17.023 15.415 12.894 1.00 6.56 C ATOM 1295 CD LYS A 85 16.417 16.643 13.552 1.00 7.22 C ATOM 1296 CE LYS A 85 16.953 16.839 14.961 1.00 8.23 C ATOM 1297 NZ LYS A 85 16.355 18.032 15.621 1.00 8.70 N ATOM 0 H LYS A 85 16.250 13.152 9.051 1.00 4.00 H new ATOM 0 HA LYS A 85 18.183 14.092 10.830 1.00 4.93 H new ATOM 0 HB2 LYS A 85 16.682 16.118 10.901 1.00 5.72 H new ATOM 0 HB3 LYS A 85 15.406 15.093 11.528 1.00 5.72 H new ATOM 0 HG2 LYS A 85 16.803 14.533 13.495 1.00 6.56 H new ATOM 0 HG3 LYS A 85 18.108 15.516 12.862 1.00 6.56 H new ATOM 0 HD2 LYS A 85 16.637 17.525 12.951 1.00 7.22 H new ATOM 0 HD3 LYS A 85 15.332 16.542 13.585 1.00 7.22 H new ATOM 0 HE2 LYS A 85 16.742 15.951 15.557 1.00 8.23 H new ATOM 0 HE3 LYS A 85 18.037 16.949 14.925 1.00 8.23 H new ATOM 0 HZ1 LYS A 85 16.746 18.131 16.580 1.00 8.70 H new ATOM 0 HZ2 LYS A 85 16.577 18.883 15.067 1.00 8.70 H new ATOM 0 HZ3 LYS A 85 15.323 17.916 15.678 1.00 8.70 H new ATOM 1311 N ALA A 86 16.700 11.632 10.619 1.00 4.58 N ATOM 1312 CA ALA A 86 16.277 10.320 11.086 1.00 4.96 C ATOM 1313 C ALA A 86 14.821 10.369 11.530 1.00 4.23 C ATOM 1314 O ALA A 86 14.515 10.142 12.701 1.00 4.67 O ATOM 1315 CB ALA A 86 17.171 9.841 12.222 1.00 5.68 C ATOM 0 H ALA A 86 17.038 11.646 9.657 1.00 4.58 H new ATOM 0 HA ALA A 86 16.367 9.610 10.264 1.00 4.96 H new ATOM 0 HB1 ALA A 86 16.838 8.859 12.557 1.00 5.68 H new ATOM 0 HB2 ALA A 86 18.201 9.775 11.871 1.00 5.68 H new ATOM 0 HB3 ALA A 86 17.114 10.546 13.052 1.00 5.68 H new ATOM 1321 N GLU A 87 13.932 10.684 10.582 1.00 3.27 N ATOM 1322 CA GLU A 87 12.497 10.789 10.854 1.00 2.78 C ATOM 1323 C GLU A 87 12.249 11.401 12.231 1.00 2.78 C ATOM 1324 O GLU A 87 11.424 10.911 13.005 1.00 3.47 O ATOM 1325 CB GLU A 87 11.822 9.417 10.743 1.00 2.42 C ATOM 1326 CG GLU A 87 12.335 8.388 11.739 1.00 3.19 C ATOM 1327 CD GLU A 87 11.659 7.038 11.587 1.00 3.92 C ATOM 1328 OE1 GLU A 87 10.786 6.904 10.703 1.00 4.37 O ATOM 1329 OE2 GLU A 87 12.003 6.115 12.355 1.00 4.46 O ATOM 0 H GLU A 87 14.186 10.872 9.612 1.00 3.27 H new ATOM 0 HA GLU A 87 12.058 11.448 10.105 1.00 2.78 H new ATOM 0 HB2 GLU A 87 10.748 9.540 10.885 1.00 2.42 H new ATOM 0 HB3 GLU A 87 11.968 9.033 9.733 1.00 2.42 H new ATOM 0 HG2 GLU A 87 13.411 8.268 11.609 1.00 3.19 H new ATOM 0 HG3 GLU A 87 12.175 8.758 12.752 1.00 3.19 H new ATOM 1336 N ARG A 88 12.979 12.473 12.527 1.00 2.49 N ATOM 1337 CA ARG A 88 12.860 13.160 13.810 1.00 2.70 C ATOM 1338 C ARG A 88 11.409 13.524 14.111 1.00 2.60 C ATOM 1339 O ARG A 88 10.788 14.298 13.383 1.00 3.18 O ATOM 1340 CB ARG A 88 13.743 14.414 13.821 1.00 3.45 C ATOM 1341 CG ARG A 88 13.740 15.166 15.147 1.00 4.14 C ATOM 1342 CD ARG A 88 12.570 16.138 15.268 1.00 4.97 C ATOM 1343 NE ARG A 88 12.813 17.399 14.561 1.00 5.51 N ATOM 1344 CZ ARG A 88 12.678 17.563 13.245 1.00 6.30 C ATOM 1345 NH1 ARG A 88 12.225 16.579 12.484 1.00 6.63 N ATOM 1346 NH2 ARG A 88 12.976 18.732 12.693 1.00 7.05 N ATOM 0 H ARG A 88 13.662 12.886 11.892 1.00 2.49 H new ATOM 0 HA ARG A 88 13.200 12.481 14.592 1.00 2.70 H new ATOM 0 HB2 ARG A 88 14.767 14.127 13.581 1.00 3.45 H new ATOM 0 HB3 ARG A 88 13.408 15.088 13.033 1.00 3.45 H new ATOM 0 HG2 ARG A 88 13.698 14.449 15.967 1.00 4.14 H new ATOM 0 HG3 ARG A 88 14.676 15.715 15.251 1.00 4.14 H new ATOM 0 HD2 ARG A 88 11.670 15.670 14.870 1.00 4.97 H new ATOM 0 HD3 ARG A 88 12.382 16.346 16.321 1.00 4.97 H new ATOM 0 HE ARG A 88 13.105 18.205 15.113 1.00 5.51 H new ATOM 0 HH11 ARG A 88 11.975 15.684 12.904 1.00 6.63 H new ATOM 0 HH12 ARG A 88 12.126 16.716 11.478 1.00 6.63 H new ATOM 0 HH21 ARG A 88 13.307 19.501 13.275 1.00 7.05 H new ATOM 0 HH22 ARG A 88 12.874 18.861 11.686 1.00 7.05 H new ATOM 1360 N TRP A 89 10.882 12.960 15.198 1.00 2.49 N ATOM 1361 CA TRP A 89 9.507 13.217 15.621 1.00 2.93 C ATOM 1362 C TRP A 89 8.553 13.204 14.431 1.00 2.93 C ATOM 1363 O TRP A 89 8.087 14.253 13.984 1.00 3.71 O ATOM 1364 CB TRP A 89 9.421 14.561 16.351 1.00 3.69 C ATOM 1365 CG TRP A 89 8.064 14.847 16.924 1.00 4.09 C ATOM 1366 CD1 TRP A 89 7.320 15.976 16.741 1.00 4.50 C ATOM 1367 CD2 TRP A 89 7.295 13.994 17.782 1.00 4.70 C ATOM 1368 NE1 TRP A 89 6.132 15.876 17.425 1.00 5.25 N ATOM 1369 CE2 TRP A 89 6.093 14.668 18.073 1.00 5.32 C ATOM 1370 CE3 TRP A 89 7.503 12.725 18.330 1.00 5.16 C ATOM 1371 CZ2 TRP A 89 5.107 14.116 18.885 1.00 6.18 C ATOM 1372 CZ3 TRP A 89 6.523 12.178 19.137 1.00 6.02 C ATOM 1373 CH2 TRP A 89 5.336 12.874 19.407 1.00 6.44 C ATOM 0 H TRP A 89 11.392 12.318 15.805 1.00 2.49 H new ATOM 0 HA TRP A 89 9.209 12.420 16.303 1.00 2.93 H new ATOM 0 HB2 TRP A 89 10.156 14.576 17.155 1.00 3.69 H new ATOM 0 HB3 TRP A 89 9.690 15.359 15.659 1.00 3.69 H new ATOM 0 HD1 TRP A 89 7.621 16.825 16.145 1.00 4.50 H new ATOM 0 HE1 TRP A 89 5.399 16.585 17.447 1.00 5.25 H new ATOM 0 HE3 TRP A 89 8.414 12.181 18.126 1.00 5.16 H new ATOM 0 HZ2 TRP A 89 4.192 14.651 19.095 1.00 6.18 H new ATOM 0 HZ3 TRP A 89 6.674 11.199 19.567 1.00 6.02 H new ATOM 0 HH2 TRP A 89 4.588 12.420 20.040 1.00 6.44 H new ATOM 1384 N GLY A 90 8.269 12.013 13.918 1.00 2.39 N ATOM 1385 CA GLY A 90 7.375 11.894 12.783 1.00 2.51 C ATOM 1386 C GLY A 90 6.711 10.533 12.699 1.00 2.11 C ATOM 1387 O GLY A 90 7.395 9.510 12.660 1.00 2.15 O ATOM 0 H GLY A 90 8.641 11.130 14.267 1.00 2.39 H new ATOM 0 HA2 GLY A 90 6.607 12.665 12.849 1.00 2.51 H new ATOM 0 HA3 GLY A 90 7.934 12.078 11.865 1.00 2.51 H new ATOM 1391 N PRO A 91 5.365 10.489 12.665 1.00 1.87 N ATOM 1392 CA PRO A 91 4.608 9.232 12.579 1.00 1.71 C ATOM 1393 C PRO A 91 4.748 8.565 11.214 1.00 1.71 C ATOM 1394 O PRO A 91 3.797 8.530 10.436 1.00 2.14 O ATOM 1395 CB PRO A 91 3.160 9.680 12.796 1.00 1.86 C ATOM 1396 CG PRO A 91 3.132 11.098 12.347 1.00 2.00 C ATOM 1397 CD PRO A 91 4.475 11.665 12.706 1.00 1.98 C ATOM 0 HA PRO A 91 4.960 8.494 13.300 1.00 1.71 H new ATOM 0 HB2 PRO A 91 2.466 9.068 12.220 1.00 1.86 H new ATOM 0 HB3 PRO A 91 2.870 9.590 13.843 1.00 1.86 H new ATOM 0 HG2 PRO A 91 2.953 11.165 11.274 1.00 2.00 H new ATOM 0 HG3 PRO A 91 2.330 11.649 12.839 1.00 2.00 H new ATOM 0 HD2 PRO A 91 4.790 12.432 11.998 1.00 1.98 H new ATOM 0 HD3 PRO A 91 4.465 12.127 13.693 1.00 1.98 H new ATOM 1405 N ARG A 92 5.940 8.045 10.924 1.00 2.00 N ATOM 1406 CA ARG A 92 6.200 7.390 9.644 1.00 2.09 C ATOM 1407 C ARG A 92 6.007 8.375 8.494 1.00 1.39 C ATOM 1408 O ARG A 92 5.460 9.463 8.683 1.00 1.88 O ATOM 1409 CB ARG A 92 5.288 6.172 9.451 1.00 3.24 C ATOM 1410 CG ARG A 92 5.626 4.990 10.351 1.00 4.14 C ATOM 1411 CD ARG A 92 5.432 5.321 11.824 1.00 4.91 C ATOM 1412 NE ARG A 92 5.709 4.174 12.686 1.00 5.90 N ATOM 1413 CZ ARG A 92 5.001 3.047 12.672 1.00 6.64 C ATOM 1414 NH1 ARG A 92 3.961 2.920 11.858 1.00 6.67 N ATOM 1415 NH2 ARG A 92 5.329 2.047 13.479 1.00 7.60 N ATOM 0 H ARG A 92 6.739 8.065 11.557 1.00 2.00 H new ATOM 0 HA ARG A 92 7.234 7.046 9.648 1.00 2.09 H new ATOM 0 HB2 ARG A 92 4.256 6.472 9.636 1.00 3.24 H new ATOM 0 HB3 ARG A 92 5.345 5.850 8.411 1.00 3.24 H new ATOM 0 HG2 ARG A 92 4.998 4.140 10.085 1.00 4.14 H new ATOM 0 HG3 ARG A 92 6.659 4.688 10.180 1.00 4.14 H new ATOM 0 HD2 ARG A 92 6.088 6.147 12.099 1.00 4.91 H new ATOM 0 HD3 ARG A 92 4.408 5.658 11.988 1.00 4.91 H new ATOM 0 HE ARG A 92 6.491 4.241 13.337 1.00 5.90 H new ATOM 0 HH11 ARG A 92 3.701 3.688 11.239 1.00 6.67 H new ATOM 0 HH12 ARG A 92 3.422 2.054 11.851 1.00 6.67 H new ATOM 0 HH21 ARG A 92 6.124 2.141 14.111 1.00 7.60 H new ATOM 0 HH22 ARG A 92 4.786 1.184 13.468 1.00 7.60 H new ATOM 1429 N THR A 93 6.469 8.004 7.305 1.00 1.14 N ATOM 1430 CA THR A 93 6.348 8.873 6.148 1.00 1.33 C ATOM 1431 C THR A 93 6.110 8.062 4.887 1.00 1.11 C ATOM 1432 O THR A 93 5.548 8.564 3.917 1.00 1.61 O ATOM 1433 CB THR A 93 7.619 9.710 5.996 1.00 1.94 C ATOM 1434 OG1 THR A 93 8.739 8.878 5.753 1.00 2.57 O ATOM 1435 CG2 THR A 93 7.937 10.556 7.208 1.00 2.58 C ATOM 0 H THR A 93 6.928 7.112 7.121 1.00 1.14 H new ATOM 0 HA THR A 93 5.494 9.533 6.298 1.00 1.33 H new ATOM 0 HB THR A 93 7.423 10.374 5.154 1.00 1.94 H new ATOM 0 HG1 THR A 93 9.401 9.005 6.464 1.00 2.57 H new ATOM 0 HG21 THR A 93 8.851 11.122 7.027 1.00 2.58 H new ATOM 0 HG22 THR A 93 7.114 11.246 7.396 1.00 2.58 H new ATOM 0 HG23 THR A 93 8.075 9.911 8.076 1.00 2.58 H new ATOM 1443 N LEU A 94 6.548 6.810 4.894 1.00 0.80 N ATOM 1444 CA LEU A 94 6.381 5.962 3.725 1.00 0.54 C ATOM 1445 C LEU A 94 6.404 4.481 4.100 1.00 0.52 C ATOM 1446 O LEU A 94 7.383 3.983 4.658 1.00 0.65 O ATOM 1447 CB LEU A 94 7.491 6.279 2.726 1.00 0.48 C ATOM 1448 CG LEU A 94 7.188 5.959 1.264 1.00 0.52 C ATOM 1449 CD1 LEU A 94 5.923 6.670 0.808 1.00 1.39 C ATOM 1450 CD2 LEU A 94 8.368 6.356 0.394 1.00 1.37 C ATOM 0 H LEU A 94 7.015 6.365 5.684 1.00 0.80 H new ATOM 0 HA LEU A 94 5.408 6.164 3.277 1.00 0.54 H new ATOM 0 HB2 LEU A 94 7.730 7.340 2.803 1.00 0.48 H new ATOM 0 HB3 LEU A 94 8.385 5.729 3.020 1.00 0.48 H new ATOM 0 HG LEU A 94 7.024 4.886 1.167 1.00 0.52 H new ATOM 0 HD11 LEU A 94 5.726 6.428 -0.236 1.00 1.39 H new ATOM 0 HD12 LEU A 94 5.082 6.345 1.421 1.00 1.39 H new ATOM 0 HD13 LEU A 94 6.053 7.747 0.912 1.00 1.39 H new ATOM 0 HD21 LEU A 94 8.146 6.125 -0.648 1.00 1.37 H new ATOM 0 HD22 LEU A 94 8.553 7.425 0.497 1.00 1.37 H new ATOM 0 HD23 LEU A 94 9.253 5.803 0.707 1.00 1.37 H new ATOM 1462 N ASP A 95 5.318 3.782 3.782 1.00 0.49 N ATOM 1463 CA ASP A 95 5.197 2.354 4.070 1.00 0.56 C ATOM 1464 C ASP A 95 4.551 1.641 2.887 1.00 0.48 C ATOM 1465 O ASP A 95 3.436 1.976 2.488 1.00 0.65 O ATOM 1466 CB ASP A 95 4.369 2.138 5.339 1.00 0.87 C ATOM 1467 CG ASP A 95 4.272 0.676 5.730 1.00 1.51 C ATOM 1468 OD1 ASP A 95 3.732 -0.118 4.930 1.00 2.19 O ATOM 1469 OD2 ASP A 95 4.736 0.323 6.835 1.00 1.92 O ATOM 0 H ASP A 95 4.502 4.185 3.321 1.00 0.49 H new ATOM 0 HA ASP A 95 6.192 1.939 4.232 1.00 0.56 H new ATOM 0 HB2 ASP A 95 4.814 2.701 6.159 1.00 0.87 H new ATOM 0 HB3 ASP A 95 3.366 2.537 5.186 1.00 0.87 H new ATOM 1474 N LEU A 96 5.262 0.680 2.309 1.00 0.48 N ATOM 1475 CA LEU A 96 4.750 -0.043 1.148 1.00 0.63 C ATOM 1476 C LEU A 96 4.839 -1.560 1.305 1.00 0.60 C ATOM 1477 O LEU A 96 5.879 -2.106 1.676 1.00 0.76 O ATOM 1478 CB LEU A 96 5.492 0.394 -0.124 1.00 0.97 C ATOM 1479 CG LEU A 96 6.920 0.930 0.068 1.00 0.98 C ATOM 1480 CD1 LEU A 96 6.909 2.308 0.716 1.00 1.91 C ATOM 1481 CD2 LEU A 96 7.766 -0.038 0.883 1.00 2.04 C ATOM 0 H LEU A 96 6.187 0.384 2.621 1.00 0.48 H new ATOM 0 HA LEU A 96 3.693 0.210 1.065 1.00 0.63 H new ATOM 0 HB2 LEU A 96 5.535 -0.457 -0.804 1.00 0.97 H new ATOM 0 HB3 LEU A 96 4.901 1.166 -0.616 1.00 0.97 H new ATOM 0 HG LEU A 96 7.370 1.024 -0.920 1.00 0.98 H new ATOM 0 HD11 LEU A 96 7.933 2.661 0.839 1.00 1.91 H new ATOM 0 HD12 LEU A 96 6.359 3.004 0.082 1.00 1.91 H new ATOM 0 HD13 LEU A 96 6.427 2.247 1.692 1.00 1.91 H new ATOM 0 HD21 LEU A 96 8.770 0.368 1.002 1.00 2.04 H new ATOM 0 HD22 LEU A 96 7.313 -0.180 1.864 1.00 2.04 H new ATOM 0 HD23 LEU A 96 7.821 -0.997 0.367 1.00 2.04 H new ATOM 1493 N ASP A 97 3.732 -2.231 0.997 1.00 0.55 N ATOM 1494 CA ASP A 97 3.650 -3.691 1.072 1.00 0.62 C ATOM 1495 C ASP A 97 2.678 -4.218 0.022 1.00 0.56 C ATOM 1496 O ASP A 97 1.562 -3.719 -0.105 1.00 0.70 O ATOM 1497 CB ASP A 97 3.212 -4.135 2.469 1.00 0.79 C ATOM 1498 CG ASP A 97 4.190 -3.709 3.546 1.00 1.45 C ATOM 1499 OD1 ASP A 97 5.365 -4.125 3.479 1.00 2.17 O ATOM 1500 OD2 ASP A 97 3.780 -2.959 4.457 1.00 1.98 O ATOM 0 H ASP A 97 2.869 -1.782 0.690 1.00 0.55 H new ATOM 0 HA ASP A 97 4.640 -4.103 0.874 1.00 0.62 H new ATOM 0 HB2 ASP A 97 2.230 -3.717 2.688 1.00 0.79 H new ATOM 0 HB3 ASP A 97 3.107 -5.220 2.486 1.00 0.79 H new ATOM 1505 N ILE A 98 3.108 -5.225 -0.734 1.00 0.69 N ATOM 1506 CA ILE A 98 2.271 -5.802 -1.778 1.00 0.63 C ATOM 1507 C ILE A 98 1.288 -6.828 -1.225 1.00 0.67 C ATOM 1508 O ILE A 98 1.666 -7.752 -0.501 1.00 0.93 O ATOM 1509 CB ILE A 98 3.128 -6.451 -2.891 1.00 0.74 C ATOM 1510 CG1 ILE A 98 3.124 -5.579 -4.141 1.00 1.91 C ATOM 1511 CG2 ILE A 98 2.661 -7.866 -3.215 1.00 1.40 C ATOM 1512 CD1 ILE A 98 3.883 -6.179 -5.303 1.00 2.73 C ATOM 0 H ILE A 98 4.028 -5.656 -0.643 1.00 0.69 H new ATOM 0 HA ILE A 98 1.699 -4.978 -2.204 1.00 0.63 H new ATOM 0 HB ILE A 98 4.150 -6.526 -2.520 1.00 0.74 H new ATOM 0 HG12 ILE A 98 2.093 -5.401 -4.445 1.00 1.91 H new ATOM 0 HG13 ILE A 98 3.557 -4.609 -3.898 1.00 1.91 H new ATOM 0 HG21 ILE A 98 3.289 -8.285 -4.001 1.00 1.40 H new ATOM 0 HG22 ILE A 98 2.734 -8.487 -2.322 1.00 1.40 H new ATOM 0 HG23 ILE A 98 1.625 -7.839 -3.554 1.00 1.40 H new ATOM 0 HD11 ILE A 98 3.836 -5.502 -6.156 1.00 2.73 H new ATOM 0 HD12 ILE A 98 4.924 -6.332 -5.018 1.00 2.73 H new ATOM 0 HD13 ILE A 98 3.437 -7.136 -5.574 1.00 2.73 H new ATOM 1524 N MET A 99 0.023 -6.664 -1.595 1.00 0.53 N ATOM 1525 CA MET A 99 -1.028 -7.570 -1.175 1.00 0.63 C ATOM 1526 C MET A 99 -1.161 -8.737 -2.151 1.00 0.63 C ATOM 1527 O MET A 99 -1.648 -9.801 -1.782 1.00 0.87 O ATOM 1528 CB MET A 99 -2.363 -6.834 -1.078 1.00 0.70 C ATOM 1529 CG MET A 99 -2.506 -5.956 0.152 1.00 0.93 C ATOM 1530 SD MET A 99 -1.324 -4.600 0.201 1.00 1.77 S ATOM 1531 CE MET A 99 -1.742 -3.866 1.780 1.00 2.48 C ATOM 0 H MET A 99 -0.297 -5.901 -2.192 1.00 0.53 H new ATOM 0 HA MET A 99 -0.760 -7.959 -0.193 1.00 0.63 H new ATOM 0 HB2 MET A 99 -2.489 -6.216 -1.967 1.00 0.70 H new ATOM 0 HB3 MET A 99 -3.170 -7.567 -1.082 1.00 0.70 H new ATOM 0 HG2 MET A 99 -3.517 -5.549 0.184 1.00 0.93 H new ATOM 0 HG3 MET A 99 -2.381 -6.570 1.044 1.00 0.93 H new ATOM 0 HE1 MET A 99 -0.999 -3.111 2.038 1.00 2.48 H new ATOM 0 HE2 MET A 99 -2.726 -3.400 1.716 1.00 2.48 H new ATOM 0 HE3 MET A 99 -1.756 -4.639 2.548 1.00 2.48 H new ATOM 1541 N LEU A 100 -0.741 -8.537 -3.404 1.00 0.51 N ATOM 1542 CA LEU A 100 -0.840 -9.601 -4.410 1.00 0.55 C ATOM 1543 C LEU A 100 0.347 -9.619 -5.366 1.00 0.54 C ATOM 1544 O LEU A 100 1.050 -8.623 -5.528 1.00 0.76 O ATOM 1545 CB LEU A 100 -2.124 -9.470 -5.230 1.00 0.75 C ATOM 1546 CG LEU A 100 -3.411 -9.879 -4.518 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -3.928 -8.752 -3.639 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -4.455 -10.294 -5.539 1.00 1.69 C ATOM 0 H LEU A 100 -0.336 -7.664 -3.743 1.00 0.51 H new ATOM 0 HA LEU A 100 -0.848 -10.536 -3.850 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -2.223 -8.433 -5.552 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -2.021 -10.075 -6.131 1.00 0.75 H new ATOM 0 HG LEU A 100 -3.197 -10.729 -3.870 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -4.845 -9.069 -3.143 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -3.178 -8.502 -2.889 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -4.132 -7.875 -4.254 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -5.371 -10.585 -5.025 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -4.663 -9.458 -6.207 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -4.081 -11.138 -6.119 1.00 1.69 H new ATOM 1560 N PHE A 101 0.546 -10.768 -6.015 1.00 0.46 N ATOM 1561 CA PHE A 101 1.628 -10.936 -6.978 1.00 0.46 C ATOM 1562 C PHE A 101 1.103 -11.592 -8.255 1.00 0.51 C ATOM 1563 O PHE A 101 1.283 -12.791 -8.471 1.00 0.58 O ATOM 1564 CB PHE A 101 2.749 -11.782 -6.369 1.00 0.45 C ATOM 1565 CG PHE A 101 3.963 -11.901 -7.246 1.00 0.51 C ATOM 1566 CD1 PHE A 101 4.586 -10.768 -7.743 1.00 0.56 C ATOM 1567 CD2 PHE A 101 4.482 -13.145 -7.574 1.00 0.58 C ATOM 1568 CE1 PHE A 101 5.703 -10.871 -8.549 1.00 0.65 C ATOM 1569 CE2 PHE A 101 5.598 -13.255 -8.381 1.00 0.68 C ATOM 1570 CZ PHE A 101 6.206 -12.125 -8.872 1.00 0.71 C ATOM 0 H PHE A 101 -0.033 -11.598 -5.888 1.00 0.46 H new ATOM 0 HA PHE A 101 2.028 -9.954 -7.231 1.00 0.46 H new ATOM 0 HB2 PHE A 101 3.043 -11.346 -5.414 1.00 0.45 H new ATOM 0 HB3 PHE A 101 2.365 -12.780 -6.159 1.00 0.45 H new ATOM 0 HD1 PHE A 101 4.194 -9.792 -7.497 1.00 0.56 H new ATOM 0 HD2 PHE A 101 4.008 -14.038 -7.194 1.00 0.58 H new ATOM 0 HE1 PHE A 101 6.183 -9.980 -8.927 1.00 0.65 H new ATOM 0 HE2 PHE A 101 5.993 -14.230 -8.626 1.00 0.68 H new ATOM 0 HZ PHE A 101 7.074 -12.212 -9.509 1.00 0.71 H new ATOM 1580 N GLY A 102 0.441 -10.796 -9.092 1.00 0.54 N ATOM 1581 CA GLY A 102 -0.116 -11.309 -10.330 1.00 0.65 C ATOM 1582 C GLY A 102 -1.504 -11.885 -10.140 1.00 0.67 C ATOM 1583 O GLY A 102 -2.329 -11.826 -11.052 1.00 0.99 O ATOM 0 H GLY A 102 0.281 -9.801 -8.933 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -0.155 -10.508 -11.068 1.00 0.65 H new ATOM 0 HA3 GLY A 102 0.543 -12.079 -10.731 1.00 0.65 H new ATOM 1587 N ASN A 103 -1.721 -12.458 -8.949 1.00 0.58 N ATOM 1588 CA ASN A 103 -2.978 -13.104 -8.539 1.00 0.64 C ATOM 1589 C ASN A 103 -2.707 -14.575 -8.312 1.00 0.71 C ATOM 1590 O ASN A 103 -3.619 -15.399 -8.233 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.125 -12.920 -9.539 1.00 0.78 C ATOM 1592 CG ASN A 103 -4.781 -11.560 -9.416 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -6.050 -11.560 -9.023 1.00 2.12 O flip ATOM 1594 ND2 ASN A 103 -4.158 -10.527 -9.658 1.00 1.38 N flip ATOM 0 H ASN A 103 -1.007 -12.487 -8.222 1.00 0.58 H new ATOM 0 HA ASN A 103 -3.313 -12.619 -7.622 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.745 -13.047 -10.553 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -4.872 -13.697 -9.379 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -3.184 -10.577 -9.957 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -4.615 -9.621 -9.559 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.424 -14.877 -8.188 1.00 0.53 N ATOM 1602 CA GLU A 104 -0.957 -16.221 -7.947 1.00 0.61 C ATOM 1603 C GLU A 104 -1.128 -16.542 -6.468 1.00 0.64 C ATOM 1604 O GLU A 104 -1.525 -15.676 -5.696 1.00 0.84 O ATOM 1605 CB GLU A 104 0.514 -16.301 -8.350 1.00 0.70 C ATOM 1606 CG GLU A 104 1.090 -17.699 -8.326 1.00 1.16 C ATOM 1607 CD GLU A 104 0.367 -18.648 -9.261 1.00 1.28 C ATOM 1608 OE1 GLU A 104 0.338 -18.375 -10.479 1.00 1.87 O ATOM 1609 OE2 GLU A 104 -0.170 -19.666 -8.774 1.00 1.79 O ATOM 0 H GLU A 104 -0.677 -14.186 -8.253 1.00 0.53 H new ATOM 0 HA GLU A 104 -1.527 -16.943 -8.531 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.627 -15.891 -9.354 1.00 0.70 H new ATOM 0 HB3 GLU A 104 1.097 -15.669 -7.680 1.00 0.70 H new ATOM 0 HG2 GLU A 104 2.144 -17.658 -8.601 1.00 1.16 H new ATOM 0 HG3 GLU A 104 1.041 -18.090 -7.310 1.00 1.16 H new ATOM 1616 N VAL A 105 -0.817 -17.761 -6.058 1.00 0.62 N ATOM 1617 CA VAL A 105 -0.935 -18.112 -4.652 1.00 0.66 C ATOM 1618 C VAL A 105 0.452 -18.241 -4.039 1.00 0.70 C ATOM 1619 O VAL A 105 1.042 -19.321 -3.991 1.00 0.83 O ATOM 1620 CB VAL A 105 -1.750 -19.405 -4.432 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -3.186 -19.211 -4.896 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -1.112 -20.585 -5.151 1.00 0.95 C ATOM 0 H VAL A 105 -0.487 -18.511 -6.665 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.482 -17.311 -4.155 1.00 0.66 H new ATOM 0 HB VAL A 105 -1.754 -19.625 -3.364 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -3.748 -20.131 -4.735 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -3.645 -18.401 -4.329 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -3.195 -18.962 -5.957 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -1.707 -21.481 -4.978 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -1.068 -20.379 -6.220 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -0.103 -20.741 -4.770 1.00 0.95 H new ATOM 1632 N ILE A 106 0.979 -17.109 -3.605 1.00 0.65 N ATOM 1633 CA ILE A 106 2.311 -17.055 -3.035 1.00 0.72 C ATOM 1634 C ILE A 106 2.291 -16.463 -1.627 1.00 0.77 C ATOM 1635 O ILE A 106 2.169 -15.252 -1.446 1.00 0.84 O ATOM 1636 CB ILE A 106 3.226 -16.232 -3.960 1.00 0.81 C ATOM 1637 CG1 ILE A 106 4.626 -16.081 -3.379 1.00 0.76 C ATOM 1638 CG2 ILE A 106 2.613 -14.867 -4.240 1.00 1.33 C ATOM 1639 CD1 ILE A 106 5.549 -15.326 -4.304 1.00 0.76 C ATOM 0 H ILE A 106 0.499 -16.209 -3.638 1.00 0.65 H new ATOM 0 HA ILE A 106 2.698 -18.070 -2.952 1.00 0.72 H new ATOM 0 HB ILE A 106 3.318 -16.775 -4.900 1.00 0.81 H new ATOM 0 HG12 ILE A 106 4.567 -15.560 -2.423 1.00 0.76 H new ATOM 0 HG13 ILE A 106 5.043 -17.068 -3.179 1.00 0.76 H new ATOM 0 HG21 ILE A 106 3.273 -14.299 -4.895 1.00 1.33 H new ATOM 0 HG22 ILE A 106 1.645 -14.995 -4.724 1.00 1.33 H new ATOM 0 HG23 ILE A 106 2.481 -14.328 -3.302 1.00 1.33 H new ATOM 0 HD11 ILE A 106 6.535 -15.244 -3.847 1.00 0.76 H new ATOM 0 HD12 ILE A 106 5.632 -15.860 -5.251 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.148 -14.328 -4.484 1.00 0.76 H new ATOM 1651 N ASN A 107 2.406 -17.336 -0.631 1.00 0.80 N ATOM 1652 CA ASN A 107 2.396 -16.917 0.766 1.00 0.91 C ATOM 1653 C ASN A 107 3.757 -17.148 1.418 1.00 0.92 C ATOM 1654 O ASN A 107 4.185 -18.289 1.595 1.00 1.03 O ATOM 1655 CB ASN A 107 1.312 -17.673 1.537 1.00 1.00 C ATOM 1656 CG ASN A 107 -0.092 -17.328 1.080 1.00 1.11 C ATOM 1657 OD1 ASN A 107 -0.205 -16.385 0.150 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 -1.070 -17.896 1.566 1.00 1.12 N flip ATOM 0 H ASN A 107 2.508 -18.342 -0.767 1.00 0.80 H new ATOM 0 HA ASN A 107 2.179 -15.849 0.797 1.00 0.91 H new ATOM 0 HB2 ASN A 107 1.472 -18.745 1.421 1.00 1.00 H new ATOM 0 HB3 ASN A 107 1.407 -17.449 2.600 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -0.941 -18.615 2.278 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -2.010 -17.648 1.257 1.00 1.12 H new ATOM 1665 N THR A 108 4.429 -16.058 1.774 1.00 0.92 N ATOM 1666 CA THR A 108 5.739 -16.138 2.410 1.00 1.01 C ATOM 1667 C THR A 108 5.838 -15.157 3.576 1.00 1.15 C ATOM 1668 O THR A 108 5.656 -15.537 4.733 1.00 1.79 O ATOM 1669 CB THR A 108 6.845 -15.866 1.387 1.00 1.00 C ATOM 1670 OG1 THR A 108 6.625 -14.635 0.721 1.00 1.66 O ATOM 1671 CG2 THR A 108 6.964 -16.945 0.333 1.00 1.26 C ATOM 0 H THR A 108 4.087 -15.107 1.633 1.00 0.92 H new ATOM 0 HA THR A 108 5.867 -17.147 2.803 1.00 1.01 H new ATOM 0 HB THR A 108 7.770 -15.841 1.964 1.00 1.00 H new ATOM 0 HG1 THR A 108 7.398 -14.048 0.856 1.00 1.66 H new ATOM 0 HG21 THR A 108 7.766 -16.690 -0.360 1.00 1.26 H new ATOM 0 HG22 THR A 108 7.187 -17.898 0.812 1.00 1.26 H new ATOM 0 HG23 THR A 108 6.024 -17.025 -0.214 1.00 1.26 H new ATOM 1679 N GLU A 109 6.124 -13.893 3.267 1.00 0.95 N ATOM 1680 CA GLU A 109 6.240 -12.862 4.293 1.00 1.05 C ATOM 1681 C GLU A 109 6.307 -11.474 3.669 1.00 1.06 C ATOM 1682 O GLU A 109 5.738 -10.519 4.198 1.00 1.32 O ATOM 1683 CB GLU A 109 7.473 -13.110 5.166 1.00 1.20 C ATOM 1684 CG GLU A 109 8.776 -13.155 4.383 1.00 1.46 C ATOM 1685 CD GLU A 109 9.984 -13.400 5.268 1.00 2.13 C ATOM 1686 OE1 GLU A 109 9.803 -13.525 6.498 1.00 2.57 O ATOM 1687 OE2 GLU A 109 11.110 -13.463 4.733 1.00 2.74 O ATOM 0 H GLU A 109 6.279 -13.560 2.315 1.00 0.95 H new ATOM 0 HA GLU A 109 5.350 -12.911 4.920 1.00 1.05 H new ATOM 0 HB2 GLU A 109 7.538 -12.324 5.919 1.00 1.20 H new ATOM 0 HB3 GLU A 109 7.347 -14.052 5.699 1.00 1.20 H new ATOM 0 HG2 GLU A 109 8.716 -13.942 3.631 1.00 1.46 H new ATOM 0 HG3 GLU A 109 8.907 -12.214 3.849 1.00 1.46 H new ATOM 1694 N ARG A 110 6.989 -11.369 2.533 1.00 0.93 N ATOM 1695 CA ARG A 110 7.102 -10.093 1.837 1.00 0.97 C ATOM 1696 C ARG A 110 5.939 -9.913 0.889 1.00 0.79 C ATOM 1697 O ARG A 110 5.610 -8.793 0.500 1.00 0.87 O ATOM 1698 CB ARG A 110 8.420 -9.984 1.067 1.00 1.17 C ATOM 1699 CG ARG A 110 9.648 -9.853 1.952 1.00 1.05 C ATOM 1700 CD ARG A 110 9.511 -8.697 2.936 1.00 1.57 C ATOM 1701 NE ARG A 110 10.672 -8.580 3.814 1.00 2.14 N ATOM 1702 CZ ARG A 110 11.905 -8.315 3.386 1.00 2.68 C ATOM 1703 NH1 ARG A 110 12.139 -8.126 2.095 1.00 2.96 N ATOM 1704 NH2 ARG A 110 12.905 -8.235 4.254 1.00 3.52 N ATOM 0 H ARG A 110 7.468 -12.146 2.078 1.00 0.93 H new ATOM 0 HA ARG A 110 7.086 -9.304 2.589 1.00 0.97 H new ATOM 0 HB2 ARG A 110 8.533 -10.865 0.436 1.00 1.17 H new ATOM 0 HB3 ARG A 110 8.370 -9.121 0.403 1.00 1.17 H new ATOM 0 HG2 ARG A 110 9.802 -10.782 2.501 1.00 1.05 H new ATOM 0 HG3 ARG A 110 10.530 -9.700 1.330 1.00 1.05 H new ATOM 0 HD2 ARG A 110 9.379 -7.766 2.384 1.00 1.57 H new ATOM 0 HD3 ARG A 110 8.614 -8.840 3.539 1.00 1.57 H new ATOM 0 HE ARG A 110 10.530 -8.709 4.816 1.00 2.14 H new ATOM 0 HH11 ARG A 110 11.373 -8.183 1.424 1.00 2.96 H new ATOM 0 HH12 ARG A 110 13.085 -7.923 1.773 1.00 2.96 H new ATOM 0 HH21 ARG A 110 12.729 -8.376 5.249 1.00 3.52 H new ATOM 0 HH22 ARG A 110 13.849 -8.032 3.927 1.00 3.52 H new ATOM 1718 N LEU A 111 5.310 -11.020 0.520 1.00 0.72 N ATOM 1719 CA LEU A 111 4.180 -10.954 -0.381 1.00 0.75 C ATOM 1720 C LEU A 111 3.231 -12.132 -0.199 1.00 0.66 C ATOM 1721 O LEU A 111 3.569 -13.286 -0.461 1.00 0.70 O ATOM 1722 CB LEU A 111 4.648 -10.873 -1.836 1.00 0.95 C ATOM 1723 CG LEU A 111 5.029 -12.199 -2.500 1.00 0.69 C ATOM 1724 CD1 LEU A 111 5.346 -11.979 -3.967 1.00 0.95 C ATOM 1725 CD2 LEU A 111 6.217 -12.837 -1.790 1.00 1.36 C ATOM 0 H LEU A 111 5.562 -11.959 0.828 1.00 0.72 H new ATOM 0 HA LEU A 111 3.630 -10.046 -0.134 1.00 0.75 H new ATOM 0 HB2 LEU A 111 3.856 -10.410 -2.425 1.00 0.95 H new ATOM 0 HB3 LEU A 111 5.510 -10.207 -1.882 1.00 0.95 H new ATOM 0 HG LEU A 111 4.180 -12.879 -2.423 1.00 0.69 H new ATOM 0 HD11 LEU A 111 5.615 -12.929 -4.428 1.00 0.95 H new ATOM 0 HD12 LEU A 111 4.471 -11.567 -4.470 1.00 0.95 H new ATOM 0 HD13 LEU A 111 6.179 -11.282 -4.059 1.00 0.95 H new ATOM 0 HD21 LEU A 111 6.470 -13.778 -2.278 1.00 1.36 H new ATOM 0 HD22 LEU A 111 7.072 -12.163 -1.835 1.00 1.36 H new ATOM 0 HD23 LEU A 111 5.959 -13.027 -0.748 1.00 1.36 H new ATOM 1737 N THR A 112 2.026 -11.811 0.225 1.00 0.71 N ATOM 1738 CA THR A 112 0.981 -12.797 0.411 1.00 0.67 C ATOM 1739 C THR A 112 -0.217 -12.356 -0.421 1.00 0.66 C ATOM 1740 O THR A 112 -0.877 -11.375 -0.087 1.00 0.82 O ATOM 1741 CB THR A 112 0.634 -12.924 1.897 1.00 0.74 C ATOM 1742 OG1 THR A 112 -0.508 -13.741 2.083 1.00 0.75 O ATOM 1743 CG2 THR A 112 0.377 -11.596 2.574 1.00 0.83 C ATOM 0 H THR A 112 1.743 -10.857 0.451 1.00 0.71 H new ATOM 0 HA THR A 112 1.305 -13.784 0.082 1.00 0.67 H new ATOM 0 HB THR A 112 1.514 -13.375 2.357 1.00 0.74 H new ATOM 0 HG1 THR A 112 -0.446 -14.528 1.502 1.00 0.75 H new ATOM 0 HG21 THR A 112 0.137 -11.763 3.624 1.00 0.83 H new ATOM 0 HG22 THR A 112 1.267 -10.972 2.500 1.00 0.83 H new ATOM 0 HG23 THR A 112 -0.459 -11.095 2.086 1.00 0.83 H new ATOM 1751 N VAL A 113 -0.468 -13.053 -1.529 1.00 0.60 N ATOM 1752 CA VAL A 113 -1.557 -12.689 -2.421 1.00 0.61 C ATOM 1753 C VAL A 113 -2.882 -12.711 -1.674 1.00 0.64 C ATOM 1754 O VAL A 113 -3.472 -11.654 -1.448 1.00 0.80 O ATOM 1755 CB VAL A 113 -1.578 -13.580 -3.677 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -2.853 -13.363 -4.479 1.00 1.27 C ATOM 1757 CG2 VAL A 113 -0.355 -13.302 -4.531 1.00 1.38 C ATOM 0 H VAL A 113 0.068 -13.869 -1.825 1.00 0.60 H new ATOM 0 HA VAL A 113 -1.393 -11.670 -2.770 1.00 0.61 H new ATOM 0 HB VAL A 113 -1.557 -14.623 -3.361 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -2.842 -14.004 -5.360 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -3.717 -13.609 -3.862 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -2.914 -12.320 -4.790 1.00 1.27 H new ATOM 0 HG21 VAL A 113 -0.378 -13.936 -5.417 1.00 1.38 H new ATOM 0 HG22 VAL A 113 -0.353 -12.255 -4.834 1.00 1.38 H new ATOM 0 HG23 VAL A 113 0.546 -13.515 -3.956 1.00 1.38 H new ATOM 1767 N PRO A 114 -3.357 -13.888 -1.223 1.00 0.61 N ATOM 1768 CA PRO A 114 -4.586 -13.954 -0.442 1.00 0.70 C ATOM 1769 C PRO A 114 -4.507 -12.926 0.676 1.00 0.76 C ATOM 1770 O PRO A 114 -5.502 -12.320 1.070 1.00 0.88 O ATOM 1771 CB PRO A 114 -4.571 -15.369 0.123 1.00 0.68 C ATOM 1772 CG PRO A 114 -3.755 -16.157 -0.836 1.00 0.83 C ATOM 1773 CD PRO A 114 -2.728 -15.212 -1.380 1.00 0.63 C ATOM 0 HA PRO A 114 -5.491 -13.746 -1.012 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -4.136 -15.390 1.122 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -5.581 -15.772 0.206 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -3.281 -17.005 -0.341 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -4.375 -16.561 -1.636 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -1.790 -15.278 -0.828 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -2.499 -15.426 -2.424 1.00 0.63 H new ATOM 1781 N HIS A 115 -3.271 -12.725 1.132 1.00 0.82 N ATOM 1782 CA HIS A 115 -2.942 -11.757 2.167 1.00 0.95 C ATOM 1783 C HIS A 115 -3.817 -11.888 3.397 1.00 0.86 C ATOM 1784 O HIS A 115 -4.989 -11.512 3.385 1.00 0.88 O ATOM 1785 CB HIS A 115 -3.048 -10.338 1.609 1.00 1.14 C ATOM 1786 CG HIS A 115 -2.408 -9.303 2.478 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -2.815 -9.042 3.769 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -1.374 -8.463 2.238 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -2.061 -8.087 4.282 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -1.178 -7.719 3.375 1.00 3.97 N ATOM 0 H HIS A 115 -2.462 -13.240 0.785 1.00 0.82 H new ATOM 0 HA HIS A 115 -1.918 -11.964 2.478 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -2.585 -10.309 0.623 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -4.100 -10.087 1.475 1.00 1.14 H new ATOM 0 HD2 HIS A 115 -0.808 -8.391 1.321 1.00 2.95 H new ATOM 0 HE1 HIS A 115 -2.152 -7.677 5.277 1.00 4.09 H new ATOM 0 HE2 HIS A 115 -0.466 -6.999 3.498 1.00 3.97 H new ATOM 1799 N TYR A 116 -3.228 -12.378 4.479 1.00 1.04 N ATOM 1800 CA TYR A 116 -3.955 -12.500 5.728 1.00 1.14 C ATOM 1801 C TYR A 116 -3.738 -11.236 6.543 1.00 1.04 C ATOM 1802 O TYR A 116 -2.716 -11.098 7.210 1.00 1.47 O ATOM 1803 CB TYR A 116 -3.483 -13.725 6.520 1.00 1.62 C ATOM 1804 CG TYR A 116 -3.786 -15.057 5.858 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -3.478 -15.286 4.522 1.00 3.06 C ATOM 1806 CD2 TYR A 116 -4.378 -16.086 6.579 1.00 2.56 C ATOM 1807 CE1 TYR A 116 -3.752 -16.502 3.924 1.00 4.05 C ATOM 1808 CE2 TYR A 116 -4.655 -17.305 5.988 1.00 3.50 C ATOM 1809 CZ TYR A 116 -4.340 -17.507 4.662 1.00 4.18 C ATOM 1810 OH TYR A 116 -4.613 -18.721 4.071 1.00 5.29 O ATOM 0 H TYR A 116 -2.259 -12.694 4.515 1.00 1.04 H new ATOM 0 HA TYR A 116 -5.016 -12.630 5.514 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -2.407 -13.648 6.677 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -3.951 -13.708 7.504 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -3.017 -14.501 3.941 1.00 3.06 H new ATOM 0 HD2 TYR A 116 -4.626 -15.931 7.619 1.00 2.56 H new ATOM 0 HE1 TYR A 116 -3.507 -16.664 2.885 1.00 4.05 H new ATOM 0 HE2 TYR A 116 -5.116 -18.095 6.563 1.00 3.50 H new ATOM 0 HH TYR A 116 -5.026 -19.319 4.728 1.00 5.29 H new ATOM 1820 N ASP A 117 -4.718 -10.331 6.462 1.00 0.77 N ATOM 1821 CA ASP A 117 -4.706 -9.038 7.158 1.00 0.80 C ATOM 1822 C ASP A 117 -5.486 -8.000 6.356 1.00 0.72 C ATOM 1823 O ASP A 117 -6.275 -7.247 6.919 1.00 0.82 O ATOM 1824 CB ASP A 117 -3.287 -8.507 7.409 1.00 1.03 C ATOM 1825 CG ASP A 117 -2.751 -8.893 8.776 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -3.422 -8.594 9.786 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -1.664 -9.506 8.836 1.00 2.22 O ATOM 0 H ASP A 117 -5.557 -10.478 5.901 1.00 0.77 H new ATOM 0 HA ASP A 117 -5.175 -9.207 8.127 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -2.618 -8.891 6.639 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -3.288 -7.421 7.317 1.00 1.03 H new ATOM 1832 N MET A 118 -5.261 -7.966 5.039 1.00 0.69 N ATOM 1833 CA MET A 118 -5.953 -7.014 4.165 1.00 0.72 C ATOM 1834 C MET A 118 -7.450 -7.022 4.446 1.00 0.71 C ATOM 1835 O MET A 118 -8.098 -5.978 4.464 1.00 0.73 O ATOM 1836 CB MET A 118 -5.718 -7.348 2.681 1.00 0.83 C ATOM 1837 CG MET A 118 -6.104 -8.777 2.323 1.00 1.15 C ATOM 1838 SD MET A 118 -6.628 -8.960 0.606 1.00 2.40 S ATOM 1839 CE MET A 118 -5.185 -8.365 -0.265 1.00 3.10 C ATOM 0 H MET A 118 -4.608 -8.584 4.556 1.00 0.69 H new ATOM 0 HA MET A 118 -5.546 -6.024 4.373 1.00 0.72 H new ATOM 0 HB2 MET A 118 -6.292 -6.657 2.064 1.00 0.83 H new ATOM 0 HB3 MET A 118 -4.666 -7.191 2.441 1.00 0.83 H new ATOM 0 HG2 MET A 118 -5.254 -9.434 2.509 1.00 1.15 H new ATOM 0 HG3 MET A 118 -6.910 -9.105 2.979 1.00 1.15 H new ATOM 0 HE1 MET A 118 -5.472 -7.551 -0.931 1.00 3.10 H new ATOM 0 HE2 MET A 118 -4.450 -8.004 0.454 1.00 3.10 H new ATOM 0 HE3 MET A 118 -4.752 -9.177 -0.850 1.00 3.10 H new ATOM 1849 N LYS A 119 -7.983 -8.219 4.664 1.00 0.80 N ATOM 1850 CA LYS A 119 -9.403 -8.412 4.944 1.00 0.95 C ATOM 1851 C LYS A 119 -9.820 -7.773 6.267 1.00 0.99 C ATOM 1852 O LYS A 119 -10.909 -8.040 6.775 1.00 1.24 O ATOM 1853 CB LYS A 119 -9.715 -9.908 4.979 1.00 1.15 C ATOM 1854 CG LYS A 119 -8.909 -10.671 6.022 1.00 1.30 C ATOM 1855 CD LYS A 119 -9.246 -12.155 6.016 1.00 1.70 C ATOM 1856 CE LYS A 119 -10.702 -12.401 6.379 1.00 2.06 C ATOM 1857 NZ LYS A 119 -11.027 -11.887 7.739 1.00 2.67 N ATOM 0 H LYS A 119 -7.443 -9.084 4.652 1.00 0.80 H new ATOM 0 HA LYS A 119 -9.967 -7.924 4.149 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -10.777 -10.045 5.180 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -9.519 -10.335 3.996 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -7.845 -10.538 5.828 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -9.107 -10.256 7.010 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -9.041 -12.571 5.029 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -8.601 -12.678 6.722 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -11.346 -11.918 5.644 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -10.912 -13.470 6.334 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -11.950 -12.261 8.040 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -10.294 -12.193 8.410 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -11.065 -10.848 7.718 1.00 2.67 H new ATOM 1871 N ASN A 120 -8.947 -6.949 6.832 1.00 0.90 N ATOM 1872 CA ASN A 120 -9.226 -6.304 8.103 1.00 1.04 C ATOM 1873 C ASN A 120 -9.459 -4.800 7.969 1.00 1.08 C ATOM 1874 O ASN A 120 -9.854 -4.153 8.939 1.00 1.35 O ATOM 1875 CB ASN A 120 -8.076 -6.559 9.074 1.00 1.08 C ATOM 1876 CG ASN A 120 -8.058 -7.985 9.588 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -6.952 -8.685 9.361 1.00 1.77 O flip ATOM 1878 ND2 ASN A 120 -9.028 -8.453 10.185 1.00 1.84 N flip ATOM 0 H ASN A 120 -8.041 -6.713 6.428 1.00 0.90 H new ATOM 0 HA ASN A 120 -10.150 -6.739 8.484 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -7.130 -6.343 8.577 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -8.157 -5.873 9.917 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -9.858 -7.880 10.338 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -9.002 -9.414 10.527 1.00 1.84 H new ATOM 1885 N ARG A 121 -9.209 -4.230 6.791 1.00 0.93 N ATOM 1886 CA ARG A 121 -9.402 -2.791 6.628 1.00 1.06 C ATOM 1887 C ARG A 121 -9.602 -2.345 5.177 1.00 0.84 C ATOM 1888 O ARG A 121 -8.990 -2.870 4.243 1.00 0.87 O ATOM 1889 CB ARG A 121 -8.234 -2.037 7.268 1.00 1.31 C ATOM 1890 CG ARG A 121 -6.882 -2.719 7.105 1.00 1.14 C ATOM 1891 CD ARG A 121 -6.414 -2.736 5.658 1.00 1.39 C ATOM 1892 NE ARG A 121 -4.974 -2.982 5.549 1.00 1.56 N ATOM 1893 CZ ARG A 121 -4.363 -4.075 5.998 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -5.057 -5.031 6.598 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -3.053 -4.210 5.848 1.00 2.04 N ATOM 0 H ARG A 121 -8.883 -4.724 5.960 1.00 0.93 H new ATOM 0 HA ARG A 121 -10.334 -2.546 7.137 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -8.179 -1.039 6.833 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -8.438 -1.910 8.331 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -6.142 -2.204 7.718 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -6.947 -3.742 7.476 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -6.956 -3.508 5.111 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -6.655 -1.783 5.188 1.00 1.39 H new ATOM 0 HE ARG A 121 -4.402 -2.268 5.099 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -6.065 -4.931 6.718 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -4.583 -5.867 6.940 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -2.514 -3.476 5.389 1.00 2.04 H new ATOM 0 HH22 ARG A 121 -2.584 -5.048 6.192 1.00 2.04 H new ATOM 1909 N GLY A 122 -10.471 -1.346 5.020 1.00 0.73 N ATOM 1910 CA GLY A 122 -10.776 -0.787 3.715 1.00 0.60 C ATOM 1911 C GLY A 122 -9.694 0.149 3.212 1.00 0.57 C ATOM 1912 O GLY A 122 -9.731 0.568 2.056 1.00 0.59 O ATOM 0 H GLY A 122 -10.976 -0.909 5.791 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -10.911 -1.598 2.999 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -11.722 -0.248 3.767 1.00 0.60 H new ATOM 1916 N PHE A 123 -8.724 0.488 4.068 1.00 0.65 N ATOM 1917 CA PHE A 123 -7.654 1.389 3.648 1.00 0.72 C ATOM 1918 C PHE A 123 -6.614 0.648 2.816 1.00 0.80 C ATOM 1919 O PHE A 123 -5.443 1.023 2.769 1.00 1.14 O ATOM 1920 CB PHE A 123 -7.020 2.139 4.837 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.313 1.301 5.873 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -5.161 0.605 5.537 1.00 1.47 C ATOM 1923 CD2 PHE A 123 -6.820 1.164 7.155 1.00 1.10 C ATOM 1924 CE1 PHE A 123 -4.529 -0.206 6.462 1.00 2.04 C ATOM 1925 CE2 PHE A 123 -6.190 0.360 8.085 1.00 1.49 C ATOM 1926 CZ PHE A 123 -4.973 -0.158 7.826 1.00 1.98 C ATOM 0 H PHE A 123 -8.660 0.160 5.032 1.00 0.65 H new ATOM 0 HA PHE A 123 -8.101 2.153 3.013 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -6.307 2.862 4.441 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -7.805 2.707 5.337 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -4.753 0.698 4.541 1.00 1.47 H new ATOM 0 HD2 PHE A 123 -7.720 1.693 7.431 1.00 1.10 H new ATOM 0 HE1 PHE A 123 -3.722 -0.859 6.165 1.00 2.04 H new ATOM 0 HE2 PHE A 123 -6.676 0.145 9.025 1.00 1.49 H new ATOM 0 HZ PHE A 123 -4.347 -0.528 8.625 1.00 1.98 H new ATOM 1936 N MET A 124 -7.087 -0.383 2.124 1.00 0.62 N ATOM 1937 CA MET A 124 -6.270 -1.196 1.233 1.00 0.68 C ATOM 1938 C MET A 124 -7.189 -1.921 0.261 1.00 0.64 C ATOM 1939 O MET A 124 -6.927 -1.996 -0.944 1.00 0.68 O ATOM 1940 CB MET A 124 -5.436 -2.220 2.014 1.00 0.80 C ATOM 1941 CG MET A 124 -4.362 -1.607 2.895 1.00 1.00 C ATOM 1942 SD MET A 124 -3.166 -0.634 1.961 1.00 1.91 S ATOM 1943 CE MET A 124 -2.118 -0.030 3.283 1.00 2.23 C ATOM 0 H MET A 124 -8.062 -0.681 2.167 1.00 0.62 H new ATOM 0 HA MET A 124 -5.579 -0.545 0.697 1.00 0.68 H new ATOM 0 HB2 MET A 124 -6.103 -2.817 2.636 1.00 0.80 H new ATOM 0 HB3 MET A 124 -4.964 -2.902 1.307 1.00 0.80 H new ATOM 0 HG2 MET A 124 -4.833 -0.973 3.646 1.00 1.00 H new ATOM 0 HG3 MET A 124 -3.840 -2.401 3.430 1.00 1.00 H new ATOM 0 HE1 MET A 124 -1.248 0.471 2.858 1.00 2.23 H new ATOM 0 HE2 MET A 124 -2.678 0.675 3.898 1.00 2.23 H new ATOM 0 HE3 MET A 124 -1.790 -0.868 3.898 1.00 2.23 H new ATOM 1953 N LEU A 125 -8.277 -2.451 0.808 1.00 0.61 N ATOM 1954 CA LEU A 125 -9.262 -3.182 0.029 1.00 0.62 C ATOM 1955 C LEU A 125 -10.090 -2.256 -0.861 1.00 0.56 C ATOM 1956 O LEU A 125 -10.322 -2.550 -2.033 1.00 0.63 O ATOM 1957 CB LEU A 125 -10.183 -3.965 0.966 1.00 0.67 C ATOM 1958 CG LEU A 125 -9.479 -4.785 2.052 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -10.488 -5.614 2.829 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -8.403 -5.681 1.457 1.00 1.16 C ATOM 0 H LEU A 125 -8.498 -2.385 1.802 1.00 0.61 H new ATOM 0 HA LEU A 125 -8.725 -3.870 -0.624 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -10.862 -3.263 1.449 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -10.795 -4.639 0.366 1.00 0.67 H new ATOM 0 HG LEU A 125 -8.995 -4.088 2.736 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -9.971 -6.190 3.596 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -11.216 -4.953 3.300 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -11.001 -6.294 2.149 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -7.922 -6.250 2.253 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -8.856 -6.368 0.743 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -7.659 -5.068 0.949 1.00 1.16 H new ATOM 1972 N TRP A 126 -10.544 -1.148 -0.290 1.00 0.48 N ATOM 1973 CA TRP A 126 -11.363 -0.182 -1.018 1.00 0.48 C ATOM 1974 C TRP A 126 -10.630 0.408 -2.222 1.00 0.47 C ATOM 1975 O TRP A 126 -11.157 0.398 -3.336 1.00 0.48 O ATOM 1976 CB TRP A 126 -11.812 0.973 -0.116 1.00 0.52 C ATOM 1977 CG TRP A 126 -12.518 2.033 -0.894 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -13.819 2.019 -1.269 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -11.955 3.229 -1.442 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -14.117 3.136 -2.005 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -12.988 3.896 -2.125 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -10.685 3.805 -1.415 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -12.786 5.105 -2.776 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -10.487 5.007 -2.064 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -11.533 5.646 -2.736 1.00 3.03 C ATOM 0 H TRP A 126 -10.359 -0.893 0.680 1.00 0.48 H new ATOM 0 HA TRP A 126 -12.233 -0.739 -1.366 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -12.472 0.592 0.663 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -10.944 1.404 0.384 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -14.523 1.238 -1.023 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -15.031 3.362 -2.398 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -9.872 3.320 -0.896 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -13.592 5.601 -3.296 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -9.507 5.461 -2.052 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -11.346 6.586 -3.233 1.00 3.03 H new ATOM 1996 N PRO A 127 -9.416 0.952 -2.020 1.00 0.50 N ATOM 1997 CA PRO A 127 -8.646 1.564 -3.102 1.00 0.54 C ATOM 1998 C PRO A 127 -8.462 0.616 -4.271 1.00 0.53 C ATOM 1999 O PRO A 127 -8.661 0.992 -5.427 1.00 0.56 O ATOM 2000 CB PRO A 127 -7.306 1.902 -2.448 1.00 0.61 C ATOM 2001 CG PRO A 127 -7.271 1.093 -1.202 1.00 0.61 C ATOM 2002 CD PRO A 127 -8.694 1.031 -0.742 1.00 0.55 C ATOM 0 HA PRO A 127 -9.146 2.437 -3.523 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -6.472 1.652 -3.104 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -7.231 2.967 -2.229 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -6.873 0.096 -1.390 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -6.632 1.555 -0.449 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -8.883 0.163 -0.111 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -8.977 1.912 -0.166 1.00 0.55 H new ATOM 2010 N LEU A 128 -8.104 -0.621 -3.965 1.00 0.53 N ATOM 2011 CA LEU A 128 -7.921 -1.625 -4.997 1.00 0.56 C ATOM 2012 C LEU A 128 -9.239 -1.892 -5.695 1.00 0.54 C ATOM 2013 O LEU A 128 -9.277 -2.171 -6.892 1.00 0.61 O ATOM 2014 CB LEU A 128 -7.405 -2.921 -4.381 1.00 0.63 C ATOM 2015 CG LEU A 128 -7.165 -4.074 -5.366 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -8.472 -4.773 -5.711 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -6.473 -3.580 -6.627 1.00 1.55 C ATOM 0 H LEU A 128 -7.935 -0.951 -3.015 1.00 0.53 H new ATOM 0 HA LEU A 128 -7.194 -1.255 -5.720 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -6.470 -2.709 -3.863 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -8.119 -3.253 -3.627 1.00 0.63 H new ATOM 0 HG LEU A 128 -6.509 -4.796 -4.881 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -8.276 -5.586 -6.410 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -8.920 -5.176 -4.803 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -9.157 -4.059 -6.168 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -6.315 -4.417 -7.307 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -7.096 -2.829 -7.114 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -5.511 -3.139 -6.365 1.00 1.55 H new ATOM 2029 N PHE A 129 -10.317 -1.806 -4.933 1.00 0.50 N ATOM 2030 CA PHE A 129 -11.642 -2.039 -5.472 1.00 0.51 C ATOM 2031 C PHE A 129 -11.974 -0.945 -6.475 1.00 0.53 C ATOM 2032 O PHE A 129 -12.882 -1.079 -7.291 1.00 0.70 O ATOM 2033 CB PHE A 129 -12.668 -2.085 -4.334 1.00 0.49 C ATOM 2034 CG PHE A 129 -14.088 -2.304 -4.787 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -14.854 -1.248 -5.257 1.00 0.62 C ATOM 2036 CD2 PHE A 129 -14.660 -3.568 -4.734 1.00 0.60 C ATOM 2037 CE1 PHE A 129 -16.156 -1.447 -5.673 1.00 0.73 C ATOM 2038 CE2 PHE A 129 -15.964 -3.770 -5.147 1.00 0.71 C ATOM 2039 CZ PHE A 129 -16.710 -2.709 -5.620 1.00 0.75 C ATOM 0 H PHE A 129 -10.298 -1.576 -3.939 1.00 0.50 H new ATOM 0 HA PHE A 129 -11.672 -3.000 -5.986 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -12.392 -2.882 -3.644 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -12.617 -1.150 -3.777 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -14.427 -0.257 -5.298 1.00 0.62 H new ATOM 0 HD2 PHE A 129 -14.080 -4.402 -4.366 1.00 0.60 H new ATOM 0 HE1 PHE A 129 -16.740 -0.615 -6.039 1.00 0.73 H new ATOM 0 HE2 PHE A 129 -16.399 -4.757 -5.100 1.00 0.71 H new ATOM 0 HZ PHE A 129 -17.727 -2.867 -5.948 1.00 0.75 H new ATOM 2049 N GLU A 130 -11.216 0.142 -6.413 1.00 0.43 N ATOM 2050 CA GLU A 130 -11.417 1.262 -7.317 1.00 0.49 C ATOM 2051 C GLU A 130 -10.416 1.232 -8.470 1.00 0.53 C ATOM 2052 O GLU A 130 -10.690 1.776 -9.540 1.00 0.68 O ATOM 2053 CB GLU A 130 -11.315 2.581 -6.555 1.00 0.54 C ATOM 2054 CG GLU A 130 -12.388 2.759 -5.492 1.00 0.99 C ATOM 2055 CD GLU A 130 -13.790 2.848 -6.073 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -13.925 2.809 -7.315 1.00 2.04 O ATOM 2057 OE2 GLU A 130 -14.750 2.964 -5.285 1.00 2.40 O ATOM 0 H GLU A 130 -10.456 0.270 -5.745 1.00 0.43 H new ATOM 0 HA GLU A 130 -12.417 1.176 -7.742 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -10.335 2.642 -6.083 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -11.379 3.406 -7.265 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -12.342 1.923 -4.794 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -12.179 3.663 -4.921 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.261 0.590 -8.267 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.261 0.508 -9.328 1.00 0.56 C ATOM 2066 C ILE A 131 -8.359 -0.829 -10.048 1.00 0.52 C ATOM 2067 O ILE A 131 -7.721 -1.044 -11.079 1.00 0.64 O ATOM 2068 CB ILE A 131 -6.827 0.689 -8.792 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -6.450 -0.471 -7.869 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -6.701 2.018 -8.064 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -4.982 -0.500 -7.502 1.00 1.41 C ATOM 0 H ILE A 131 -9.001 0.129 -7.395 1.00 0.48 H new ATOM 0 HA ILE A 131 -8.470 1.322 -10.022 1.00 0.56 H new ATOM 0 HB ILE A 131 -6.137 0.691 -9.636 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -7.043 -0.406 -6.957 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -6.713 -1.411 -8.354 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -5.683 2.133 -7.690 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -6.930 2.832 -8.751 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -7.399 2.042 -7.228 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -4.788 -1.349 -6.846 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -4.382 -0.596 -8.407 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -4.717 0.424 -6.988 1.00 1.41 H new ATOM 2083 N ALA A 132 -9.166 -1.724 -9.487 1.00 0.53 N ATOM 2084 CA ALA A 132 -9.365 -3.050 -10.058 1.00 0.58 C ATOM 2085 C ALA A 132 -10.460 -3.808 -9.306 1.00 0.56 C ATOM 2086 O ALA A 132 -10.176 -4.762 -8.580 1.00 0.63 O ATOM 2087 CB ALA A 132 -8.062 -3.836 -10.032 1.00 0.73 C ATOM 0 H ALA A 132 -9.695 -1.553 -8.632 1.00 0.53 H new ATOM 0 HA ALA A 132 -9.683 -2.932 -11.094 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -8.225 -4.825 -10.461 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -7.307 -3.308 -10.614 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -7.720 -3.940 -9.002 1.00 0.73 H new ATOM 2093 N PRO A 133 -11.732 -3.396 -9.474 1.00 0.63 N ATOM 2094 CA PRO A 133 -12.869 -4.047 -8.812 1.00 0.66 C ATOM 2095 C PRO A 133 -13.218 -5.382 -9.459 1.00 0.88 C ATOM 2096 O PRO A 133 -14.382 -5.776 -9.501 1.00 1.24 O ATOM 2097 CB PRO A 133 -14.013 -3.055 -9.021 1.00 0.79 C ATOM 2098 CG PRO A 133 -13.665 -2.339 -10.282 1.00 0.82 C ATOM 2099 CD PRO A 133 -12.162 -2.268 -10.325 1.00 0.81 C ATOM 0 HA PRO A 133 -12.659 -4.271 -7.766 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -14.971 -3.567 -9.108 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -14.096 -2.363 -8.183 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -14.054 -2.870 -11.151 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -14.102 -1.341 -10.296 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -11.786 -2.369 -11.343 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -11.795 -1.316 -9.942 1.00 0.81 H new ATOM 2107 N GLU A 134 -12.202 -6.070 -9.971 1.00 0.90 N ATOM 2108 CA GLU A 134 -12.404 -7.355 -10.624 1.00 1.12 C ATOM 2109 C GLU A 134 -11.365 -8.370 -10.163 1.00 1.08 C ATOM 2110 O GLU A 134 -11.322 -9.492 -10.669 1.00 1.25 O ATOM 2111 CB GLU A 134 -12.339 -7.195 -12.146 1.00 1.34 C ATOM 2112 CG GLU A 134 -13.428 -6.300 -12.715 1.00 1.87 C ATOM 2113 CD GLU A 134 -14.823 -6.875 -12.533 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -14.941 -7.998 -11.998 1.00 2.50 O ATOM 2115 OE2 GLU A 134 -15.797 -6.203 -12.932 1.00 2.61 O ATOM 0 H GLU A 134 -11.231 -5.758 -9.945 1.00 0.90 H new ATOM 0 HA GLU A 134 -13.392 -7.723 -10.346 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -11.366 -6.786 -12.418 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -12.411 -8.179 -12.609 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -13.377 -5.324 -12.233 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -13.242 -6.141 -13.777 1.00 1.87 H new ATOM 2122 N LEU A 135 -10.531 -7.973 -9.202 1.00 0.99 N ATOM 2123 CA LEU A 135 -9.501 -8.858 -8.676 1.00 1.03 C ATOM 2124 C LEU A 135 -10.104 -10.207 -8.304 1.00 1.50 C ATOM 2125 O LEU A 135 -9.930 -11.187 -9.028 1.00 2.32 O ATOM 2126 CB LEU A 135 -8.845 -8.233 -7.448 1.00 1.00 C ATOM 2127 CG LEU A 135 -7.598 -8.957 -6.950 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -6.403 -8.634 -7.833 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -7.316 -8.593 -5.505 1.00 2.26 C ATOM 0 H LEU A 135 -10.551 -7.047 -8.775 1.00 0.99 H new ATOM 0 HA LEU A 135 -8.746 -9.006 -9.448 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -8.580 -7.201 -7.680 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -9.576 -8.200 -6.640 1.00 1.00 H new ATOM 0 HG LEU A 135 -7.777 -10.031 -7.003 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -5.523 -9.160 -7.462 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -6.610 -8.950 -8.855 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -6.218 -7.560 -7.816 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -6.423 -9.118 -5.165 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -7.157 -7.518 -5.425 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -8.165 -8.881 -4.885 1.00 2.26 H new ATOM 2141 N VAL A 136 -10.819 -10.233 -7.173 1.00 1.65 N ATOM 2142 CA VAL A 136 -11.477 -11.443 -6.669 1.00 2.11 C ATOM 2143 C VAL A 136 -10.836 -12.716 -7.214 1.00 1.98 C ATOM 2144 O VAL A 136 -11.226 -13.228 -8.263 1.00 2.82 O ATOM 2145 CB VAL A 136 -12.988 -11.436 -6.996 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -13.226 -11.212 -8.482 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -13.646 -12.728 -6.531 1.00 3.66 C ATOM 0 H VAL A 136 -10.957 -9.414 -6.581 1.00 1.65 H new ATOM 0 HA VAL A 136 -11.348 -11.437 -5.587 1.00 2.11 H new ATOM 0 HB VAL A 136 -13.445 -10.607 -6.456 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -14.297 -11.212 -8.683 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -12.801 -10.253 -8.778 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -12.750 -12.011 -9.051 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -14.709 -12.702 -6.771 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -13.181 -13.575 -7.035 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -13.520 -12.833 -5.453 1.00 3.66 H new ATOM 2157 N PHE A 137 -9.843 -13.218 -6.490 1.00 1.34 N ATOM 2158 CA PHE A 137 -9.142 -14.430 -6.910 1.00 1.66 C ATOM 2159 C PHE A 137 -8.172 -14.943 -5.841 1.00 1.18 C ATOM 2160 O PHE A 137 -8.169 -16.137 -5.545 1.00 1.57 O ATOM 2161 CB PHE A 137 -8.391 -14.178 -8.216 1.00 2.23 C ATOM 2162 CG PHE A 137 -7.864 -15.428 -8.864 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -8.678 -16.538 -9.021 1.00 3.49 C ATOM 2164 CD2 PHE A 137 -6.554 -15.496 -9.312 1.00 3.88 C ATOM 2165 CE1 PHE A 137 -8.196 -17.691 -9.613 1.00 4.44 C ATOM 2166 CE2 PHE A 137 -6.067 -16.645 -9.905 1.00 4.85 C ATOM 2167 CZ PHE A 137 -6.891 -17.738 -10.068 1.00 5.09 C ATOM 0 H PHE A 137 -9.506 -12.811 -5.617 1.00 1.34 H new ATOM 0 HA PHE A 137 -9.897 -15.201 -7.062 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -9.056 -13.671 -8.915 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -7.558 -13.502 -8.021 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -9.701 -16.502 -8.677 1.00 3.49 H new ATOM 0 HD2 PHE A 137 -5.906 -14.640 -9.196 1.00 3.88 H new ATOM 0 HE1 PHE A 137 -8.838 -18.553 -9.720 1.00 4.44 H new ATOM 0 HE2 PHE A 137 -5.041 -16.687 -10.241 1.00 4.85 H new ATOM 0 HZ PHE A 137 -6.518 -18.629 -10.550 1.00 5.09 H new ATOM 2177 N PRO A 138 -7.335 -14.061 -5.244 1.00 0.88 N ATOM 2178 CA PRO A 138 -6.378 -14.457 -4.210 1.00 0.92 C ATOM 2179 C PRO A 138 -6.990 -15.465 -3.248 1.00 1.20 C ATOM 2180 O PRO A 138 -6.458 -16.553 -3.032 1.00 1.94 O ATOM 2181 CB PRO A 138 -6.064 -13.142 -3.478 1.00 1.24 C ATOM 2182 CG PRO A 138 -6.900 -12.090 -4.140 1.00 1.68 C ATOM 2183 CD PRO A 138 -7.245 -12.623 -5.499 1.00 1.44 C ATOM 0 HA PRO A 138 -5.493 -14.938 -4.627 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -6.303 -13.220 -2.417 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -5.004 -12.900 -3.549 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -7.801 -11.888 -3.561 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -6.353 -11.150 -4.218 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -8.184 -12.215 -5.872 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -6.479 -12.386 -6.237 1.00 1.44 H new ATOM 2191 N ASP A 139 -8.129 -15.083 -2.695 1.00 1.07 N ATOM 2192 CA ASP A 139 -8.869 -15.925 -1.768 1.00 1.62 C ATOM 2193 C ASP A 139 -10.255 -16.229 -2.331 1.00 1.65 C ATOM 2194 O ASP A 139 -10.968 -17.099 -1.829 1.00 2.28 O ATOM 2195 CB ASP A 139 -8.988 -15.242 -0.404 1.00 2.26 C ATOM 2196 CG ASP A 139 -9.644 -13.877 -0.493 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -10.816 -13.810 -0.919 1.00 3.20 O ATOM 2198 OD2 ASP A 139 -8.987 -12.876 -0.139 1.00 3.67 O ATOM 0 H ASP A 139 -8.568 -14.180 -2.876 1.00 1.07 H new ATOM 0 HA ASP A 139 -8.328 -16.862 -1.638 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -9.567 -15.877 0.267 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -7.995 -15.137 0.034 1.00 2.26 H new ATOM 2203 N GLY A 140 -10.626 -15.502 -3.387 1.00 1.25 N ATOM 2204 CA GLY A 140 -11.920 -15.701 -4.018 1.00 1.72 C ATOM 2205 C GLY A 140 -12.895 -14.580 -3.728 1.00 1.31 C ATOM 2206 O GLY A 140 -14.110 -14.773 -3.806 1.00 1.85 O ATOM 0 H GLY A 140 -10.050 -14.778 -3.816 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -11.784 -15.787 -5.096 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -12.345 -16.644 -3.674 1.00 1.72 H new ATOM 2210 N GLU A 141 -12.366 -13.403 -3.406 1.00 0.75 N ATOM 2211 CA GLU A 141 -13.200 -12.238 -3.109 1.00 0.94 C ATOM 2212 C GLU A 141 -12.435 -10.946 -3.326 1.00 0.82 C ATOM 2213 O GLU A 141 -11.322 -10.792 -2.823 1.00 1.19 O ATOM 2214 CB GLU A 141 -13.679 -12.255 -1.652 1.00 1.56 C ATOM 2215 CG GLU A 141 -14.633 -13.381 -1.313 1.00 1.38 C ATOM 2216 CD GLU A 141 -15.085 -13.344 0.135 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -14.218 -13.439 1.028 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -16.304 -13.220 0.372 1.00 2.47 O ATOM 0 H GLU A 141 -11.363 -13.229 -3.344 1.00 0.75 H new ATOM 0 HA GLU A 141 -14.053 -12.288 -3.785 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -12.809 -12.325 -0.999 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -14.167 -11.305 -1.433 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -15.505 -13.322 -1.964 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -14.149 -14.336 -1.515 1.00 1.38 H new ATOM 2225 N MET A 142 -13.049 -9.994 -4.026 1.00 0.57 N ATOM 2226 CA MET A 142 -12.409 -8.706 -4.222 1.00 0.54 C ATOM 2227 C MET A 142 -12.080 -8.161 -2.849 1.00 0.58 C ATOM 2228 O MET A 142 -12.798 -8.440 -1.888 1.00 0.92 O ATOM 2229 CB MET A 142 -13.315 -7.727 -4.967 1.00 0.57 C ATOM 2230 CG MET A 142 -13.947 -8.319 -6.207 1.00 0.67 C ATOM 2231 SD MET A 142 -15.141 -7.213 -6.982 1.00 1.32 S ATOM 2232 CE MET A 142 -15.726 -8.240 -8.328 1.00 1.58 C ATOM 0 H MET A 142 -13.969 -10.091 -4.456 1.00 0.57 H new ATOM 0 HA MET A 142 -11.513 -8.831 -4.830 1.00 0.54 H new ATOM 0 HB2 MET A 142 -14.102 -7.387 -4.294 1.00 0.57 H new ATOM 0 HB3 MET A 142 -12.735 -6.848 -5.248 1.00 0.57 H new ATOM 0 HG2 MET A 142 -13.165 -8.563 -6.926 1.00 0.67 H new ATOM 0 HG3 MET A 142 -14.442 -9.254 -5.945 1.00 0.67 H new ATOM 0 HE1 MET A 142 -16.276 -7.626 -9.042 1.00 1.58 H new ATOM 0 HE2 MET A 142 -14.876 -8.704 -8.828 1.00 1.58 H new ATOM 0 HE3 MET A 142 -16.383 -9.016 -7.935 1.00 1.58 H new ATOM 2242 N LEU A 143 -10.998 -7.421 -2.735 1.00 0.55 N ATOM 2243 CA LEU A 143 -10.602 -6.886 -1.445 1.00 0.62 C ATOM 2244 C LEU A 143 -11.795 -6.295 -0.712 1.00 0.56 C ATOM 2245 O LEU A 143 -12.133 -6.714 0.396 1.00 0.60 O ATOM 2246 CB LEU A 143 -9.541 -5.810 -1.614 1.00 0.76 C ATOM 2247 CG LEU A 143 -8.393 -6.141 -2.553 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -7.186 -5.279 -2.223 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -8.026 -7.618 -2.484 1.00 1.70 C ATOM 0 H LEU A 143 -10.381 -7.177 -3.509 1.00 0.55 H new ATOM 0 HA LEU A 143 -10.195 -7.710 -0.859 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -10.027 -4.903 -1.974 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -9.126 -5.581 -0.633 1.00 0.76 H new ATOM 0 HG LEU A 143 -8.717 -5.928 -3.572 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -6.368 -5.523 -2.901 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -7.449 -4.227 -2.335 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -6.874 -5.468 -1.196 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -7.202 -7.820 -3.168 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -7.725 -7.871 -1.467 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -8.889 -8.221 -2.767 1.00 1.70 H new ATOM 2261 N ARG A 144 -12.406 -5.296 -1.330 1.00 0.53 N ATOM 2262 CA ARG A 144 -13.536 -4.609 -0.742 1.00 0.52 C ATOM 2263 C ARG A 144 -14.698 -5.539 -0.373 1.00 0.61 C ATOM 2264 O ARG A 144 -15.510 -5.181 0.466 1.00 0.69 O ATOM 2265 CB ARG A 144 -14.023 -3.486 -1.633 1.00 0.53 C ATOM 2266 CG ARG A 144 -15.158 -2.692 -1.009 1.00 0.58 C ATOM 2267 CD ARG A 144 -15.555 -1.497 -1.861 1.00 0.85 C ATOM 2268 NE ARG A 144 -16.651 -0.737 -1.266 1.00 1.18 N ATOM 2269 CZ ARG A 144 -17.874 -1.227 -1.073 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -18.164 -2.466 -1.447 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -18.810 -0.475 -0.512 1.00 2.16 N ATOM 0 H ARG A 144 -12.132 -4.943 -2.247 1.00 0.53 H new ATOM 0 HA ARG A 144 -13.166 -4.188 0.193 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -13.192 -2.815 -1.851 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -14.356 -3.901 -2.584 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -16.022 -3.342 -0.872 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -14.858 -2.348 -0.019 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -14.692 -0.844 -1.994 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -15.850 -1.841 -2.852 1.00 0.85 H new ATOM 0 HE ARG A 144 -16.469 0.225 -0.982 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -17.449 -3.047 -1.884 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -19.102 -2.838 -1.297 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -18.594 0.480 -0.227 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -19.746 -0.852 -0.365 1.00 2.16 H new ATOM 2285 N GLN A 145 -14.795 -6.724 -0.968 1.00 0.76 N ATOM 2286 CA GLN A 145 -15.888 -7.628 -0.595 1.00 0.92 C ATOM 2287 C GLN A 145 -15.675 -8.042 0.837 1.00 0.89 C ATOM 2288 O GLN A 145 -16.559 -7.940 1.682 1.00 0.97 O ATOM 2289 CB GLN A 145 -15.916 -8.880 -1.463 1.00 1.21 C ATOM 2290 CG GLN A 145 -15.596 -8.596 -2.899 1.00 0.96 C ATOM 2291 CD GLN A 145 -16.530 -7.572 -3.486 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -16.079 -6.331 -3.509 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -17.654 -7.884 -3.878 1.00 1.87 N flip ATOM 0 H GLN A 145 -14.159 -7.075 -1.684 1.00 0.76 H new ATOM 0 HA GLN A 145 -16.834 -7.105 -0.733 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -15.201 -9.604 -1.072 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -16.902 -9.339 -1.399 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -14.569 -8.240 -2.979 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -15.659 -9.519 -3.475 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -17.956 -8.858 -3.839 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -18.284 -7.169 -4.242 1.00 1.87 H new ATOM 2302 N ILE A 146 -14.458 -8.477 1.088 1.00 0.85 N ATOM 2303 CA ILE A 146 -14.037 -8.892 2.408 1.00 0.90 C ATOM 2304 C ILE A 146 -13.981 -7.665 3.298 1.00 0.85 C ATOM 2305 O ILE A 146 -13.944 -7.753 4.519 1.00 1.01 O ATOM 2306 CB ILE A 146 -12.636 -9.520 2.372 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -12.349 -10.159 1.014 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -12.502 -10.554 3.479 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -10.883 -10.109 0.645 1.00 1.06 C ATOM 0 H ILE A 146 -13.730 -8.553 0.378 1.00 0.85 H new ATOM 0 HA ILE A 146 -14.745 -9.631 2.784 1.00 0.90 H new ATOM 0 HB ILE A 146 -11.904 -8.728 2.530 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -12.681 -11.197 1.028 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -12.931 -9.649 0.246 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -11.506 -10.995 3.447 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -12.655 -10.074 4.446 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -13.249 -11.335 3.339 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -10.737 -10.577 -0.329 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -10.554 -9.071 0.602 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -10.300 -10.643 1.395 1.00 1.06 H new ATOM 2321 N LEU A 147 -13.954 -6.516 2.642 1.00 0.72 N ATOM 2322 CA LEU A 147 -13.883 -5.222 3.302 1.00 0.75 C ATOM 2323 C LEU A 147 -15.245 -4.814 3.834 1.00 0.71 C ATOM 2324 O LEU A 147 -15.417 -4.470 4.999 1.00 0.81 O ATOM 2325 CB LEU A 147 -13.461 -4.227 2.242 1.00 0.92 C ATOM 2326 CG LEU A 147 -12.923 -2.883 2.675 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -12.853 -1.982 1.462 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -13.768 -2.238 3.760 1.00 1.66 C ATOM 0 H LEU A 147 -13.981 -6.455 1.624 1.00 0.72 H new ATOM 0 HA LEU A 147 -13.187 -5.260 4.140 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -12.698 -4.705 1.627 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -14.322 -4.046 1.599 1.00 0.92 H new ATOM 0 HG LEU A 147 -11.932 -3.033 3.103 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -12.466 -1.006 1.756 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -12.192 -2.425 0.717 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -13.850 -1.865 1.038 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -13.336 -1.275 4.033 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -14.783 -2.089 3.391 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -13.792 -2.886 4.636 1.00 1.66 H new ATOM 2340 N HIS A 148 -16.197 -4.831 2.933 1.00 0.71 N ATOM 2341 CA HIS A 148 -17.555 -4.452 3.222 1.00 0.76 C ATOM 2342 C HIS A 148 -18.208 -5.468 4.133 1.00 0.83 C ATOM 2343 O HIS A 148 -19.212 -5.189 4.790 1.00 0.92 O ATOM 2344 CB HIS A 148 -18.314 -4.358 1.906 1.00 0.79 C ATOM 2345 CG HIS A 148 -19.617 -3.633 2.024 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -20.481 -3.450 0.968 1.00 1.04 N ATOM 2347 CD2 HIS A 148 -20.197 -3.040 3.093 1.00 1.02 C ATOM 2348 CE1 HIS A 148 -21.540 -2.774 1.382 1.00 1.20 C ATOM 2349 NE2 HIS A 148 -21.392 -2.514 2.669 1.00 1.19 N ATOM 0 H HIS A 148 -16.046 -5.113 1.964 1.00 0.71 H new ATOM 0 HA HIS A 148 -17.570 -3.489 3.733 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -17.690 -3.851 1.170 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -18.499 -5.364 1.529 1.00 0.79 H new ATOM 0 HD2 HIS A 148 -19.795 -2.990 4.094 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -22.382 -2.484 0.772 1.00 1.20 H new ATOM 0 HE2 HIS A 148 -22.057 -2.006 3.252 1.00 1.19 H new ATOM 2358 N THR A 149 -17.639 -6.657 4.151 1.00 0.86 N ATOM 2359 CA THR A 149 -18.172 -7.734 4.958 1.00 0.97 C ATOM 2360 C THR A 149 -17.347 -7.965 6.226 1.00 1.00 C ATOM 2361 O THR A 149 -17.891 -8.393 7.246 1.00 1.13 O ATOM 2362 CB THR A 149 -18.237 -9.016 4.124 1.00 1.02 C ATOM 2363 OG1 THR A 149 -16.934 -9.467 3.797 1.00 1.35 O ATOM 2364 CG2 THR A 149 -19.000 -8.842 2.824 1.00 1.48 C ATOM 0 H THR A 149 -16.806 -6.901 3.615 1.00 0.86 H new ATOM 0 HA THR A 149 -19.175 -7.450 5.276 1.00 0.97 H new ATOM 0 HB THR A 149 -18.762 -9.741 4.745 1.00 1.02 H new ATOM 0 HG1 THR A 149 -16.708 -9.183 2.887 1.00 1.35 H new ATOM 0 HG21 THR A 149 -19.010 -9.786 2.279 1.00 1.48 H new ATOM 0 HG22 THR A 149 -20.024 -8.537 3.041 1.00 1.48 H new ATOM 0 HG23 THR A 149 -18.515 -8.078 2.217 1.00 1.48 H new ATOM 2372 N ARG A 150 -16.039 -7.702 6.171 1.00 0.91 N ATOM 2373 CA ARG A 150 -15.190 -7.919 7.347 1.00 0.97 C ATOM 2374 C ARG A 150 -14.554 -6.637 7.882 1.00 0.97 C ATOM 2375 O ARG A 150 -14.178 -6.576 9.054 1.00 1.16 O ATOM 2376 CB ARG A 150 -14.100 -8.952 7.048 1.00 1.01 C ATOM 2377 CG ARG A 150 -14.643 -10.329 6.702 1.00 1.12 C ATOM 2378 CD ARG A 150 -15.411 -10.935 7.866 1.00 1.43 C ATOM 2379 NE ARG A 150 -15.953 -12.250 7.541 1.00 1.84 N ATOM 2380 CZ ARG A 150 -16.645 -12.995 8.397 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -16.876 -12.555 9.628 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -17.109 -14.179 8.022 1.00 2.86 N ATOM 0 H ARG A 150 -15.553 -7.347 5.347 1.00 0.91 H new ATOM 0 HA ARG A 150 -15.852 -8.296 8.127 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -13.489 -8.593 6.220 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -13.444 -9.037 7.915 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -15.297 -10.255 5.833 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -13.819 -10.987 6.427 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -14.752 -11.019 8.730 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -16.225 -10.268 8.149 1.00 1.43 H new ATOM 0 HE ARG A 150 -15.792 -12.619 6.604 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -16.522 -11.644 9.919 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -17.407 -13.128 10.283 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -16.935 -14.519 7.076 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -17.640 -14.750 8.679 1.00 2.86 H new ATOM 2396 N ALA A 151 -14.402 -5.625 7.034 1.00 0.88 N ATOM 2397 CA ALA A 151 -13.775 -4.378 7.460 1.00 0.91 C ATOM 2398 C ALA A 151 -14.802 -3.277 7.712 1.00 0.92 C ATOM 2399 O ALA A 151 -15.502 -3.300 8.725 1.00 1.18 O ATOM 2400 CB ALA A 151 -12.738 -3.934 6.439 1.00 0.89 C ATOM 0 H ALA A 151 -14.700 -5.642 6.059 1.00 0.88 H new ATOM 0 HA ALA A 151 -13.274 -4.567 8.410 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -12.278 -3.003 6.769 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -11.971 -4.703 6.341 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -13.221 -3.778 5.474 1.00 0.89 H new ATOM 2406 N PHE A 152 -14.879 -2.301 6.807 1.00 0.79 N ATOM 2407 CA PHE A 152 -15.807 -1.195 6.973 1.00 0.99 C ATOM 2408 C PHE A 152 -16.855 -1.177 5.860 1.00 0.88 C ATOM 2409 O PHE A 152 -17.908 -1.805 5.975 1.00 1.32 O ATOM 2410 CB PHE A 152 -15.012 0.114 6.992 1.00 1.26 C ATOM 2411 CG PHE A 152 -15.845 1.348 7.182 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -16.786 1.427 8.197 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -15.678 2.436 6.342 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -17.543 2.569 8.369 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -16.431 3.582 6.510 1.00 3.27 C ATOM 2416 CZ PHE A 152 -17.366 3.648 7.525 1.00 3.92 C ATOM 0 H PHE A 152 -14.313 -2.258 5.960 1.00 0.79 H new ATOM 0 HA PHE A 152 -16.343 -1.315 7.915 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -14.273 0.064 7.792 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -14.462 0.203 6.055 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -16.928 0.587 8.860 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -14.950 2.388 5.546 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -18.273 2.619 9.163 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -16.289 4.424 5.849 1.00 3.27 H new ATOM 0 HZ PHE A 152 -17.957 4.542 7.658 1.00 3.92 H new ATOM 2426 N ASP A 153 -16.552 -0.451 4.792 1.00 0.92 N ATOM 2427 CA ASP A 153 -17.445 -0.325 3.646 1.00 1.10 C ATOM 2428 C ASP A 153 -16.796 0.563 2.602 1.00 1.14 C ATOM 2429 O ASP A 153 -16.697 0.203 1.427 1.00 1.88 O ATOM 2430 CB ASP A 153 -18.791 0.271 4.072 1.00 1.43 C ATOM 2431 CG ASP A 153 -19.663 0.641 2.887 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -19.943 -0.249 2.056 1.00 2.58 O ATOM 2433 OD2 ASP A 153 -20.067 1.818 2.790 1.00 2.80 O ATOM 0 H ASP A 153 -15.679 0.068 4.695 1.00 0.92 H new ATOM 0 HA ASP A 153 -17.626 -1.315 3.227 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -19.320 -0.447 4.699 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -18.616 1.158 4.681 1.00 1.43 H new ATOM 2438 N LYS A 154 -16.335 1.721 3.056 1.00 0.75 N ATOM 2439 CA LYS A 154 -15.666 2.680 2.196 1.00 0.78 C ATOM 2440 C LYS A 154 -15.189 3.880 2.995 1.00 0.91 C ATOM 2441 O LYS A 154 -15.960 4.510 3.715 1.00 1.80 O ATOM 2442 CB LYS A 154 -16.578 3.176 1.079 1.00 0.89 C ATOM 2443 CG LYS A 154 -15.901 4.235 0.221 1.00 0.86 C ATOM 2444 CD LYS A 154 -16.836 5.374 -0.139 1.00 1.03 C ATOM 2445 CE LYS A 154 -17.492 5.983 1.093 1.00 1.54 C ATOM 2446 NZ LYS A 154 -18.406 7.105 0.740 1.00 2.17 N ATOM 0 H LYS A 154 -16.415 2.019 4.028 1.00 0.75 H new ATOM 0 HA LYS A 154 -14.815 2.161 1.755 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -16.874 2.335 0.452 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -17.490 3.588 1.511 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -15.037 4.633 0.754 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -15.527 3.773 -0.693 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -16.280 6.145 -0.672 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -17.607 5.010 -0.818 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -18.051 5.213 1.624 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -16.721 6.344 1.774 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -18.832 7.492 1.606 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -17.868 7.852 0.256 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -19.157 6.756 0.111 1.00 2.17 H new ATOM 2460 N LEU A 155 -13.918 4.208 2.835 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.337 5.351 3.513 1.00 0.61 C ATOM 2462 C LEU A 155 -13.629 6.616 2.712 1.00 0.68 C ATOM 2463 O LEU A 155 -14.491 6.604 1.832 1.00 0.89 O ATOM 2464 CB LEU A 155 -11.840 5.124 3.697 1.00 0.60 C ATOM 2465 CG LEU A 155 -11.486 3.900 4.557 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -9.986 3.670 4.554 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -11.990 4.088 5.981 1.00 1.23 C ATOM 0 H LEU A 155 -13.268 3.696 2.239 1.00 0.61 H new ATOM 0 HA LEU A 155 -13.779 5.473 4.502 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -11.379 5.010 2.716 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -11.403 6.012 4.153 1.00 0.60 H new ATOM 0 HG LEU A 155 -11.973 3.023 4.130 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -9.750 2.800 5.167 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -9.646 3.497 3.533 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -9.483 4.547 4.960 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -11.731 3.213 6.577 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -11.527 4.973 6.417 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -13.073 4.213 5.970 1.00 1.23 H new ATOM 2479 N ASN A 156 -12.937 7.708 3.010 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.168 8.953 2.299 1.00 0.77 C ATOM 2481 C ASN A 156 -11.876 9.460 1.690 1.00 0.65 C ATOM 2482 O ASN A 156 -10.866 9.579 2.385 1.00 0.69 O ATOM 2483 CB ASN A 156 -13.755 9.998 3.248 1.00 1.04 C ATOM 2484 CG ASN A 156 -14.983 9.486 3.975 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -14.907 8.540 4.758 1.00 2.44 O ATOM 2486 ND2 ASN A 156 -16.127 10.104 3.710 1.00 2.12 N ATOM 0 H ASN A 156 -12.218 7.755 3.732 1.00 0.66 H new ATOM 0 HA ASN A 156 -13.880 8.770 1.495 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -12.999 10.290 3.977 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -14.016 10.893 2.683 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -16.988 9.798 4.163 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -16.145 10.885 3.054 1.00 2.12 H new ATOM 2493 N LYS A 157 -11.911 9.764 0.396 1.00 0.64 N ATOM 2494 CA LYS A 157 -10.724 10.263 -0.276 1.00 0.64 C ATOM 2495 C LYS A 157 -10.129 11.397 0.536 1.00 0.68 C ATOM 2496 O LYS A 157 -10.851 12.153 1.187 1.00 0.95 O ATOM 2497 CB LYS A 157 -11.027 10.727 -1.702 1.00 0.79 C ATOM 2498 CG LYS A 157 -11.610 9.640 -2.597 1.00 0.96 C ATOM 2499 CD LYS A 157 -13.095 9.428 -2.342 1.00 1.67 C ATOM 2500 CE LYS A 157 -13.629 8.227 -3.105 1.00 1.70 C ATOM 2501 NZ LYS A 157 -15.114 8.140 -3.038 1.00 2.51 N ATOM 0 H LYS A 157 -12.736 9.674 -0.197 1.00 0.64 H new ATOM 0 HA LYS A 157 -10.006 9.447 -0.352 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -11.726 11.563 -1.660 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -10.109 11.102 -2.154 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -11.456 9.910 -3.642 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -11.076 8.705 -2.427 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -13.265 9.286 -1.275 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -13.646 10.321 -2.636 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -13.316 8.291 -4.147 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -13.193 7.315 -2.697 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -15.437 7.307 -3.571 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -15.412 8.053 -2.045 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -15.531 8.999 -3.451 1.00 2.51 H new ATOM 2515 N TRP A 158 -8.812 11.485 0.527 1.00 0.73 N ATOM 2516 CA TRP A 158 -8.115 12.498 1.297 1.00 0.83 C ATOM 2517 C TRP A 158 -8.691 13.888 1.031 1.00 1.08 C ATOM 2518 O TRP A 158 -9.237 14.492 1.978 1.00 1.47 O ATOM 2519 CB TRP A 158 -6.625 12.478 0.961 1.00 0.85 C ATOM 2520 CG TRP A 158 -5.786 13.269 1.921 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -5.747 13.128 3.279 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -4.874 14.325 1.597 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -4.861 14.029 3.819 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -4.313 14.775 2.808 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -4.474 14.932 0.403 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -3.376 15.802 2.859 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -3.543 15.954 0.455 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -3.002 16.378 1.676 1.00 2.95 C ATOM 2529 OXT TRP A 158 -8.588 14.361 -0.120 1.00 1.75 O ATOM 0 H TRP A 158 -8.202 10.865 -0.007 1.00 0.73 H new ATOM 0 HA TRP A 158 -8.250 12.271 2.355 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -6.276 11.445 0.951 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -6.482 12.872 -0.045 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -6.327 12.414 3.845 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -4.646 14.127 4.811 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -4.884 14.609 -0.542 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -2.959 16.133 3.799 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -3.228 16.433 -0.460 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -2.275 17.176 1.683 1.00 2.95 H new TER 2540 TRP A 158