USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=36 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 99 MET CE :methyl -118:sc= -4.49! (180deg=-2.29) USER MOD Set 1.2: A 115 HIS : no HE2:sc= -5.46! C(o=-10!,f=-10!) USER MOD Set 2.1: A 107 ASN :FLIP amide:sc= -9.57! C(o=-19!,f=-9.9!) USER MOD Set 2.2: A 112 THR OG1 : rot 137:sc= -0.319! USER MOD Set 3.1: A 42 THR OG1 : rot 55:sc= 1.09 USER MOD Set 3.2: A 55 ASN : amide:sc= -7.05! C(o=-6!,f=-11!) USER MOD Set 4.1: A 37 SER OG : rot 180:sc= -0.334 USER MOD Set 4.2: A 38 SER OG : rot 90:sc= -0.746 USER MOD Set 5.1: A 4 TYR OH : rot 149:sc= 0.478 USER MOD Set 5.2: A 124 MET CE :methyl -128:sc= -8.41! (180deg=-8.61!) USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0632 USER MOD Single : A 10 ASN : amide:sc= -4.83! C(o=-4.8!,f=-7.3!) USER MOD Single : A 13 SER OG : rot 47:sc= 0.182 USER MOD Single : A 17 GLN : amide:sc= -3.43 K(o=-3.4,f=-4.4!) USER MOD Single : A 19 ASN :FLIP amide:sc= -1.67 F(o=-5.9!,f=-1.7) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0455 (180deg=-0.255) USER MOD Single : A 31 SER OG : rot -163:sc= -2.24! USER MOD Single : A 32 HIS : no HE2:sc= 0.162 K(o=0.16,f=-0.62) USER MOD Single : A 35 THR OG1 : rot 7:sc= -4.03! USER MOD Single : A 40 TYR OH : rot -30:sc= -1.28! USER MOD Single : A 48 GLN :FLIP amide:sc= -5.63! C(o=-9.7!,f=-5.6!) USER MOD Single : A 50 GLN :FLIP amide:sc= -3.6! C(o=-7.9!,f=-3.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -169:sc= 0.00928 USER MOD Single : A 63 SER OG : rot -31:sc= 0.515 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.711 F(o=-1.8,f=-0.71) USER MOD Single : A 72 HIS : no HD1:sc= -0.12 K(o=-0.12,f=-0.79) USER MOD Single : A 73 THR OG1 : rot -150:sc= -0.907 USER MOD Single : A 74 GLN : amide:sc= -0.255 K(o=-0.26,f=-2.3!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -13:sc= 0.862 USER MOD Single : A 103 ASN :FLIP amide:sc= -3.12 F(o=-5!,f=-3.1) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -115:sc= -1.6! (180deg=-4.33!) USER MOD Single : A 119 LYS NZ :NH3+ -115:sc= 0 (180deg=-1.5!) USER MOD Single : A 120 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.011) USER MOD Single : A 142 MET CE :methyl -171:sc= -0.0789 (180deg=-0.215) USER MOD Single : A 145 GLN :FLIP amide:sc= -0.336 F(o=-3.5!,f=-0.34) USER MOD Single : A 148 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 149 THR OG1 : rot -83:sc= 0.306 USER MOD Single : A 154 LYS NZ :NH3+ -166:sc= -0.0341 (180deg=-0.266) USER MOD Single : A 156 ASN :FLIP amide:sc= -0.13 F(o=-2.6!,f=-0.13) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.111 -9.602 -14.679 1.00 0.82 N ATOM 2 CA THR A 1 2.409 -9.930 -13.412 1.00 0.59 C ATOM 3 C THR A 1 1.863 -8.680 -12.739 1.00 0.52 C ATOM 4 O THR A 1 2.566 -8.025 -11.969 1.00 0.52 O ATOM 5 CB THR A 1 3.393 -10.636 -12.474 1.00 0.64 C ATOM 6 OG1 THR A 1 3.802 -11.878 -13.019 1.00 0.92 O ATOM 7 CG2 THR A 1 2.824 -10.901 -11.091 1.00 0.62 C ATOM 0 H1 THR A 1 3.471 -10.476 -15.113 1.00 0.82 H new ATOM 0 H2 THR A 1 2.448 -9.139 -15.333 1.00 0.82 H new ATOM 0 H3 THR A 1 3.906 -8.961 -14.480 1.00 0.82 H new ATOM 0 HA THR A 1 1.564 -10.580 -13.637 1.00 0.59 H new ATOM 0 HB THR A 1 4.236 -9.953 -12.374 1.00 0.64 H new ATOM 0 HG1 THR A 1 4.431 -12.313 -12.406 1.00 0.92 H new ATOM 0 HG21 THR A 1 3.574 -11.403 -10.479 1.00 0.62 H new ATOM 0 HG22 THR A 1 2.548 -9.956 -10.624 1.00 0.62 H new ATOM 0 HG23 THR A 1 1.941 -11.535 -11.176 1.00 0.62 H new ATOM 17 N VAL A 2 0.605 -8.357 -13.014 1.00 0.54 N ATOM 18 CA VAL A 2 -0.012 -7.192 -12.403 1.00 0.54 C ATOM 19 C VAL A 2 -0.243 -7.458 -10.922 1.00 0.44 C ATOM 20 O VAL A 2 -1.185 -8.152 -10.541 1.00 0.45 O ATOM 21 CB VAL A 2 -1.354 -6.840 -13.075 1.00 0.65 C ATOM 22 CG1 VAL A 2 -1.971 -5.608 -12.431 1.00 1.49 C ATOM 23 CG2 VAL A 2 -1.161 -6.629 -14.568 1.00 1.42 C ATOM 0 H VAL A 2 0.001 -8.879 -13.648 1.00 0.54 H new ATOM 0 HA VAL A 2 0.663 -6.347 -12.535 1.00 0.54 H new ATOM 0 HB VAL A 2 -2.040 -7.675 -12.933 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -2.917 -5.377 -12.920 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -2.147 -5.800 -11.373 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -1.291 -4.763 -12.538 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -2.118 -6.381 -15.027 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -0.458 -5.813 -14.732 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -0.769 -7.542 -15.017 1.00 1.42 H new ATOM 33 N ALA A 3 0.629 -6.907 -10.089 1.00 0.43 N ATOM 34 CA ALA A 3 0.526 -7.096 -8.651 1.00 0.40 C ATOM 35 C ALA A 3 0.058 -5.822 -7.970 1.00 0.33 C ATOM 36 O ALA A 3 0.400 -4.718 -8.393 1.00 0.37 O ATOM 37 CB ALA A 3 1.863 -7.545 -8.082 1.00 0.48 C ATOM 0 H ALA A 3 1.414 -6.327 -10.385 1.00 0.43 H new ATOM 0 HA ALA A 3 -0.214 -7.873 -8.459 1.00 0.40 H new ATOM 0 HB1 ALA A 3 1.772 -7.683 -7.005 1.00 0.48 H new ATOM 0 HB2 ALA A 3 2.157 -8.487 -8.545 1.00 0.48 H new ATOM 0 HB3 ALA A 3 2.619 -6.787 -8.288 1.00 0.48 H new ATOM 43 N TYR A 4 -0.728 -5.976 -6.914 1.00 0.38 N ATOM 44 CA TYR A 4 -1.231 -4.817 -6.188 1.00 0.48 C ATOM 45 C TYR A 4 -0.308 -4.434 -5.047 1.00 0.46 C ATOM 46 O TYR A 4 0.079 -5.281 -4.232 1.00 0.72 O ATOM 47 CB TYR A 4 -2.628 -5.051 -5.632 1.00 0.79 C ATOM 48 CG TYR A 4 -3.138 -3.862 -4.849 1.00 2.03 C ATOM 49 CD1 TYR A 4 -3.288 -2.621 -5.451 1.00 2.70 C ATOM 50 CD2 TYR A 4 -3.482 -3.988 -3.510 1.00 3.01 C ATOM 51 CE1 TYR A 4 -3.763 -1.535 -4.740 1.00 3.83 C ATOM 52 CE2 TYR A 4 -3.958 -2.910 -2.793 1.00 4.21 C ATOM 53 CZ TYR A 4 -4.055 -1.670 -3.408 1.00 4.50 C ATOM 54 OH TYR A 4 -4.570 -0.609 -2.699 1.00 5.73 O ATOM 0 H TYR A 4 -1.028 -6.878 -6.544 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.273 -4.003 -6.912 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -3.313 -5.264 -6.453 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -2.618 -5.931 -4.988 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -3.029 -2.502 -6.493 1.00 2.70 H new ATOM 0 HD2 TYR A 4 -3.375 -4.945 -3.022 1.00 3.01 H new ATOM 0 HE1 TYR A 4 -3.903 -0.584 -5.232 1.00 3.83 H new ATOM 0 HE2 TYR A 4 -4.253 -3.030 -1.761 1.00 4.21 H new ATOM 0 HH TYR A 4 -5.157 -0.944 -1.989 1.00 5.73 H new ATOM 64 N ILE A 5 0.017 -3.144 -4.998 1.00 0.40 N ATOM 65 CA ILE A 5 0.885 -2.595 -3.967 1.00 0.45 C ATOM 66 C ILE A 5 0.207 -1.414 -3.279 1.00 0.44 C ATOM 67 O ILE A 5 0.060 -0.342 -3.867 1.00 0.57 O ATOM 68 CB ILE A 5 2.222 -2.118 -4.563 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.491 -2.841 -5.886 1.00 0.52 C ATOM 70 CG2 ILE A 5 3.354 -2.351 -3.571 1.00 0.93 C ATOM 71 CD1 ILE A 5 3.859 -2.559 -6.475 1.00 0.79 C ATOM 0 H ILE A 5 -0.315 -2.454 -5.672 1.00 0.40 H new ATOM 0 HA ILE A 5 1.078 -3.387 -3.244 1.00 0.45 H new ATOM 0 HB ILE A 5 2.164 -1.048 -4.763 1.00 0.55 H new ATOM 0 HG12 ILE A 5 2.389 -3.915 -5.729 1.00 0.52 H new ATOM 0 HG13 ILE A 5 1.729 -2.550 -6.609 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.294 -2.009 -4.005 1.00 0.93 H new ATOM 0 HG22 ILE A 5 3.154 -1.796 -2.654 1.00 0.93 H new ATOM 0 HG23 ILE A 5 3.425 -3.415 -3.343 1.00 0.93 H new ATOM 0 HD11 ILE A 5 3.973 -3.107 -7.410 1.00 0.79 H new ATOM 0 HD12 ILE A 5 3.960 -1.491 -6.666 1.00 0.79 H new ATOM 0 HD13 ILE A 5 4.630 -2.876 -5.773 1.00 0.79 H new ATOM 83 N ALA A 6 -0.209 -1.616 -2.034 1.00 0.48 N ATOM 84 CA ALA A 6 -0.875 -0.565 -1.273 1.00 0.51 C ATOM 85 C ALA A 6 0.138 0.415 -0.697 1.00 0.46 C ATOM 86 O ALA A 6 1.230 0.018 -0.287 1.00 0.58 O ATOM 87 CB ALA A 6 -1.711 -1.177 -0.165 1.00 0.71 C ATOM 0 H ALA A 6 -0.097 -2.496 -1.531 1.00 0.48 H new ATOM 0 HA ALA A 6 -1.530 -0.013 -1.947 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -2.205 -0.385 0.398 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -2.463 -1.837 -0.598 1.00 0.71 H new ATOM 0 HB3 ALA A 6 -1.067 -1.750 0.503 1.00 0.71 H new ATOM 93 N ILE A 7 -0.221 1.696 -0.672 1.00 0.44 N ATOM 94 CA ILE A 7 0.681 2.716 -0.148 1.00 0.43 C ATOM 95 C ILE A 7 -0.015 3.613 0.878 1.00 0.49 C ATOM 96 O ILE A 7 -1.040 4.232 0.591 1.00 0.58 O ATOM 97 CB ILE A 7 1.269 3.569 -1.292 1.00 0.47 C ATOM 98 CG1 ILE A 7 2.311 4.552 -0.756 1.00 1.19 C ATOM 99 CG2 ILE A 7 0.164 4.313 -2.029 1.00 1.41 C ATOM 100 CD1 ILE A 7 3.059 5.287 -1.850 1.00 1.42 C ATOM 0 H ILE A 7 -1.119 2.049 -1.004 1.00 0.44 H new ATOM 0 HA ILE A 7 1.496 2.198 0.358 1.00 0.43 H new ATOM 0 HB ILE A 7 1.762 2.899 -1.996 1.00 0.47 H new ATOM 0 HG12 ILE A 7 1.817 5.279 -0.111 1.00 1.19 H new ATOM 0 HG13 ILE A 7 3.026 4.011 -0.137 1.00 1.19 H new ATOM 0 HG21 ILE A 7 0.599 4.909 -2.832 1.00 1.41 H new ATOM 0 HG22 ILE A 7 -0.540 3.595 -2.450 1.00 1.41 H new ATOM 0 HG23 ILE A 7 -0.360 4.969 -1.333 1.00 1.41 H new ATOM 0 HD11 ILE A 7 3.782 5.968 -1.402 1.00 1.42 H new ATOM 0 HD12 ILE A 7 3.581 4.567 -2.481 1.00 1.42 H new ATOM 0 HD13 ILE A 7 2.353 5.855 -2.455 1.00 1.42 H new ATOM 112 N GLY A 8 0.554 3.670 2.082 1.00 0.57 N ATOM 113 CA GLY A 8 -0.011 4.488 3.144 1.00 0.69 C ATOM 114 C GLY A 8 0.957 5.554 3.617 1.00 0.68 C ATOM 115 O GLY A 8 2.115 5.259 3.921 1.00 0.77 O ATOM 0 H GLY A 8 1.400 3.162 2.341 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.926 4.962 2.789 1.00 0.69 H new ATOM 0 HA3 GLY A 8 -0.287 3.851 3.984 1.00 0.69 H new ATOM 119 N SER A 9 0.493 6.803 3.661 1.00 0.70 N ATOM 120 CA SER A 9 1.342 7.914 4.080 1.00 0.75 C ATOM 121 C SER A 9 0.540 9.064 4.691 1.00 0.87 C ATOM 122 O SER A 9 -0.703 9.029 4.715 1.00 0.92 O ATOM 123 CB SER A 9 2.159 8.425 2.894 1.00 0.76 C ATOM 124 OG SER A 9 2.991 7.406 2.371 1.00 1.67 O ATOM 0 H SER A 9 -0.460 7.068 3.413 1.00 0.70 H new ATOM 0 HA SER A 9 2.009 7.535 4.854 1.00 0.75 H new ATOM 0 HB2 SER A 9 1.488 8.786 2.115 1.00 0.76 H new ATOM 0 HB3 SER A 9 2.769 9.272 3.207 1.00 0.76 H new ATOM 0 HG SER A 9 3.502 7.758 1.612 1.00 1.67 H new ATOM 130 N ASN A 10 1.305 10.072 5.171 1.00 1.03 N ATOM 131 CA ASN A 10 0.797 11.310 5.798 1.00 1.23 C ATOM 132 C ASN A 10 1.352 11.475 7.211 1.00 1.30 C ATOM 133 O ASN A 10 1.337 10.539 8.012 1.00 2.00 O ATOM 134 CB ASN A 10 -0.728 11.375 5.834 1.00 1.55 C ATOM 135 CG ASN A 10 -1.249 12.671 6.428 1.00 2.18 C ATOM 136 OD1 ASN A 10 -0.967 12.999 7.581 1.00 2.66 O ATOM 137 ND2 ASN A 10 -2.021 13.412 5.642 1.00 3.02 N ATOM 0 H ASN A 10 2.324 10.043 5.130 1.00 1.03 H new ATOM 0 HA ASN A 10 1.145 12.131 5.171 1.00 1.23 H new ATOM 0 HB2 ASN A 10 -1.116 11.263 4.821 1.00 1.55 H new ATOM 0 HB3 ASN A 10 -1.109 10.535 6.415 1.00 1.55 H new ATOM 0 HD21 ASN A 10 -2.406 14.291 5.987 1.00 3.02 H new ATOM 0 HD22 ASN A 10 -2.229 13.102 4.693 1.00 3.02 H new ATOM 144 N LEU A 11 1.840 12.679 7.505 1.00 1.21 N ATOM 145 CA LEU A 11 2.406 12.993 8.815 1.00 1.31 C ATOM 146 C LEU A 11 2.655 14.494 8.947 1.00 1.49 C ATOM 147 O LEU A 11 2.627 15.049 10.046 1.00 1.96 O ATOM 148 CB LEU A 11 3.707 12.196 9.053 1.00 1.36 C ATOM 149 CG LEU A 11 4.907 12.512 8.136 1.00 1.66 C ATOM 150 CD1 LEU A 11 4.503 12.548 6.670 1.00 2.11 C ATOM 151 CD2 LEU A 11 5.579 13.814 8.545 1.00 2.45 C ATOM 0 H LEU A 11 1.854 13.459 6.847 1.00 1.21 H new ATOM 0 HA LEU A 11 1.686 12.700 9.579 1.00 1.31 H new ATOM 0 HB2 LEU A 11 4.019 12.359 10.085 1.00 1.36 H new ATOM 0 HB3 LEU A 11 3.476 11.135 8.953 1.00 1.36 H new ATOM 0 HG LEU A 11 5.628 11.703 8.257 1.00 1.66 H new ATOM 0 HD11 LEU A 11 5.376 12.774 6.057 1.00 2.11 H new ATOM 0 HD12 LEU A 11 4.097 11.579 6.381 1.00 2.11 H new ATOM 0 HD13 LEU A 11 3.746 13.318 6.520 1.00 2.11 H new ATOM 0 HD21 LEU A 11 6.421 14.013 7.882 1.00 2.45 H new ATOM 0 HD22 LEU A 11 4.861 14.632 8.475 1.00 2.45 H new ATOM 0 HD23 LEU A 11 5.936 13.732 9.571 1.00 2.45 H new ATOM 163 N ALA A 12 2.884 15.138 7.808 1.00 1.57 N ATOM 164 CA ALA A 12 3.131 16.577 7.751 1.00 1.79 C ATOM 165 C ALA A 12 3.185 17.025 6.299 1.00 1.71 C ATOM 166 O ALA A 12 2.692 18.095 5.939 1.00 2.29 O ATOM 167 CB ALA A 12 4.425 16.936 8.468 1.00 2.08 C ATOM 0 H ALA A 12 2.904 14.679 6.897 1.00 1.57 H new ATOM 0 HA ALA A 12 2.316 17.094 8.257 1.00 1.79 H new ATOM 0 HB1 ALA A 12 4.586 18.013 8.411 1.00 2.08 H new ATOM 0 HB2 ALA A 12 4.358 16.634 9.513 1.00 2.08 H new ATOM 0 HB3 ALA A 12 5.259 16.419 7.994 1.00 2.08 H new ATOM 173 N SER A 13 3.773 16.173 5.468 1.00 1.54 N ATOM 174 CA SER A 13 3.891 16.428 4.040 1.00 1.42 C ATOM 175 C SER A 13 3.687 15.125 3.268 1.00 1.10 C ATOM 176 O SER A 13 4.579 14.673 2.550 1.00 1.17 O ATOM 177 CB SER A 13 5.259 17.031 3.714 1.00 1.72 C ATOM 178 OG SER A 13 6.308 16.157 4.091 1.00 2.45 O ATOM 0 H SER A 13 4.181 15.287 5.766 1.00 1.54 H new ATOM 0 HA SER A 13 3.124 17.143 3.743 1.00 1.42 H new ATOM 0 HB2 SER A 13 5.322 17.239 2.646 1.00 1.72 H new ATOM 0 HB3 SER A 13 5.372 17.983 4.232 1.00 1.72 H new ATOM 0 HG SER A 13 6.106 15.250 3.780 1.00 2.45 H new ATOM 184 N PRO A 14 2.505 14.493 3.430 1.00 0.96 N ATOM 185 CA PRO A 14 2.170 13.229 2.774 1.00 0.92 C ATOM 186 C PRO A 14 2.650 13.154 1.328 1.00 0.86 C ATOM 187 O PRO A 14 3.246 12.158 0.921 1.00 0.90 O ATOM 188 CB PRO A 14 0.636 13.180 2.828 1.00 1.18 C ATOM 189 CG PRO A 14 0.192 14.399 3.578 1.00 1.23 C ATOM 190 CD PRO A 14 1.401 14.948 4.280 1.00 1.14 C ATOM 0 HA PRO A 14 2.658 12.390 3.271 1.00 0.92 H new ATOM 0 HB2 PRO A 14 0.214 13.169 1.823 1.00 1.18 H new ATOM 0 HB3 PRO A 14 0.295 12.273 3.327 1.00 1.18 H new ATOM 0 HG2 PRO A 14 -0.228 15.139 2.897 1.00 1.23 H new ATOM 0 HG3 PRO A 14 -0.589 14.147 4.295 1.00 1.23 H new ATOM 0 HD2 PRO A 14 1.368 16.035 4.352 1.00 1.14 H new ATOM 0 HD3 PRO A 14 1.488 14.563 5.296 1.00 1.14 H new ATOM 198 N LEU A 15 2.383 14.202 0.555 1.00 0.89 N ATOM 199 CA LEU A 15 2.788 14.235 -0.847 1.00 0.90 C ATOM 200 C LEU A 15 4.263 13.871 -1.002 1.00 0.84 C ATOM 201 O LEU A 15 4.628 13.094 -1.883 1.00 0.84 O ATOM 202 CB LEU A 15 2.526 15.618 -1.450 1.00 1.07 C ATOM 203 CG LEU A 15 2.872 15.757 -2.937 1.00 1.33 C ATOM 204 CD1 LEU A 15 2.022 14.817 -3.779 1.00 1.67 C ATOM 205 CD2 LEU A 15 2.688 17.197 -3.395 1.00 1.72 C ATOM 0 H LEU A 15 1.890 15.036 0.873 1.00 0.89 H new ATOM 0 HA LEU A 15 2.192 13.496 -1.383 1.00 0.90 H new ATOM 0 HB2 LEU A 15 1.473 15.863 -1.314 1.00 1.07 H new ATOM 0 HB3 LEU A 15 3.100 16.356 -0.889 1.00 1.07 H new ATOM 0 HG LEU A 15 3.918 15.482 -3.071 1.00 1.33 H new ATOM 0 HD11 LEU A 15 2.284 14.933 -4.831 1.00 1.67 H new ATOM 0 HD12 LEU A 15 2.204 13.787 -3.471 1.00 1.67 H new ATOM 0 HD13 LEU A 15 0.968 15.057 -3.640 1.00 1.67 H new ATOM 0 HD21 LEU A 15 2.938 17.277 -4.453 1.00 1.72 H new ATOM 0 HD22 LEU A 15 1.651 17.497 -3.243 1.00 1.72 H new ATOM 0 HD23 LEU A 15 3.343 17.849 -2.817 1.00 1.72 H new ATOM 217 N GLU A 16 5.103 14.436 -0.141 1.00 0.86 N ATOM 218 CA GLU A 16 6.539 14.174 -0.185 1.00 0.88 C ATOM 219 C GLU A 16 6.846 12.691 0.013 1.00 0.76 C ATOM 220 O GLU A 16 7.486 12.065 -0.831 1.00 0.75 O ATOM 221 CB GLU A 16 7.263 15.001 0.880 1.00 1.05 C ATOM 222 CG GLU A 16 7.068 16.502 0.730 1.00 1.40 C ATOM 223 CD GLU A 16 7.641 17.048 -0.567 1.00 1.82 C ATOM 224 OE1 GLU A 16 8.243 16.259 -1.324 1.00 2.49 O ATOM 225 OE2 GLU A 16 7.483 18.259 -0.828 1.00 2.16 O ATOM 0 H GLU A 16 4.815 15.079 0.597 1.00 0.86 H new ATOM 0 HA GLU A 16 6.896 14.464 -1.173 1.00 0.88 H new ATOM 0 HB2 GLU A 16 6.911 14.695 1.865 1.00 1.05 H new ATOM 0 HB3 GLU A 16 8.329 14.777 0.838 1.00 1.05 H new ATOM 0 HG2 GLU A 16 6.003 16.731 0.775 1.00 1.40 H new ATOM 0 HG3 GLU A 16 7.539 17.010 1.571 1.00 1.40 H new ATOM 232 N GLN A 17 6.396 12.137 1.138 1.00 0.73 N ATOM 233 CA GLN A 17 6.636 10.728 1.447 1.00 0.71 C ATOM 234 C GLN A 17 6.127 9.830 0.322 1.00 0.57 C ATOM 235 O GLN A 17 6.882 9.042 -0.247 1.00 0.51 O ATOM 236 CB GLN A 17 5.970 10.355 2.774 1.00 0.86 C ATOM 237 CG GLN A 17 6.339 11.291 3.915 1.00 1.20 C ATOM 238 CD GLN A 17 7.826 11.296 4.227 1.00 1.35 C ATOM 239 OE1 GLN A 17 8.314 12.169 4.943 1.00 2.20 O ATOM 240 NE2 GLN A 17 8.554 10.309 3.709 1.00 1.36 N ATOM 0 H GLN A 17 5.865 12.640 1.849 1.00 0.73 H new ATOM 0 HA GLN A 17 7.711 10.576 1.541 1.00 0.71 H new ATOM 0 HB2 GLN A 17 4.888 10.361 2.644 1.00 0.86 H new ATOM 0 HB3 GLN A 17 6.254 9.337 3.042 1.00 0.86 H new ATOM 0 HG2 GLN A 17 6.024 12.303 3.662 1.00 1.20 H new ATOM 0 HG3 GLN A 17 5.788 10.999 4.809 1.00 1.20 H new ATOM 0 HE21 GLN A 17 8.111 9.604 3.120 1.00 1.36 H new ATOM 0 HE22 GLN A 17 9.554 10.258 3.901 1.00 1.36 H new ATOM 249 N VAL A 18 4.844 9.960 0.003 1.00 0.57 N ATOM 250 CA VAL A 18 4.236 9.170 -1.063 1.00 0.53 C ATOM 251 C VAL A 18 5.122 9.171 -2.305 1.00 0.49 C ATOM 252 O VAL A 18 5.367 8.125 -2.905 1.00 0.51 O ATOM 253 CB VAL A 18 2.840 9.703 -1.437 1.00 0.62 C ATOM 254 CG1 VAL A 18 2.226 8.874 -2.554 1.00 1.10 C ATOM 255 CG2 VAL A 18 1.932 9.718 -0.219 1.00 1.25 C ATOM 0 H VAL A 18 4.204 10.605 0.467 1.00 0.57 H new ATOM 0 HA VAL A 18 4.132 8.152 -0.689 1.00 0.53 H new ATOM 0 HB VAL A 18 2.950 10.726 -1.797 1.00 0.62 H new ATOM 0 HG11 VAL A 18 1.241 9.269 -2.801 1.00 1.10 H new ATOM 0 HG12 VAL A 18 2.866 8.919 -3.435 1.00 1.10 H new ATOM 0 HG13 VAL A 18 2.130 7.838 -2.228 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.950 10.097 -0.502 1.00 1.25 H new ATOM 0 HG22 VAL A 18 1.831 8.706 0.172 1.00 1.25 H new ATOM 0 HG23 VAL A 18 2.363 10.362 0.548 1.00 1.25 H new ATOM 265 N ASN A 19 5.607 10.354 -2.680 1.00 0.52 N ATOM 266 CA ASN A 19 6.475 10.491 -3.844 1.00 0.57 C ATOM 267 C ASN A 19 7.711 9.613 -3.700 1.00 0.50 C ATOM 268 O ASN A 19 8.157 8.999 -4.667 1.00 0.52 O ATOM 269 CB ASN A 19 6.890 11.953 -4.040 1.00 0.72 C ATOM 270 CG ASN A 19 5.730 12.850 -4.435 1.00 1.26 C ATOM 271 OD1 ASN A 19 4.535 12.279 -4.544 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 5.908 14.052 -4.638 1.00 1.71 N flip ATOM 0 H ASN A 19 5.413 11.229 -2.194 1.00 0.52 H new ATOM 0 HA ASN A 19 5.916 10.166 -4.721 1.00 0.57 H new ATOM 0 HB2 ASN A 19 7.333 12.326 -3.117 1.00 0.72 H new ATOM 0 HB3 ASN A 19 7.662 12.006 -4.808 1.00 0.72 H new ATOM 0 HD21 ASN A 19 6.841 14.452 -4.544 1.00 1.71 H new ATOM 0 HD22 ASN A 19 5.122 14.647 -4.900 1.00 1.71 H new ATOM 279 N ALA A 20 8.258 9.554 -2.489 1.00 0.49 N ATOM 280 CA ALA A 20 9.440 8.740 -2.222 1.00 0.49 C ATOM 281 C ALA A 20 9.277 7.348 -2.820 1.00 0.42 C ATOM 282 O ALA A 20 10.078 6.914 -3.652 1.00 0.48 O ATOM 283 CB ALA A 20 9.694 8.648 -0.728 1.00 0.57 C ATOM 0 H ALA A 20 7.902 10.060 -1.678 1.00 0.49 H new ATOM 0 HA ALA A 20 10.300 9.218 -2.691 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.579 8.038 -0.546 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.853 9.648 -0.324 1.00 0.57 H new ATOM 0 HB3 ALA A 20 8.832 8.192 -0.240 1.00 0.57 H new ATOM 289 N ALA A 21 8.221 6.658 -2.403 1.00 0.41 N ATOM 290 CA ALA A 21 7.950 5.325 -2.917 1.00 0.45 C ATOM 291 C ALA A 21 7.609 5.395 -4.398 1.00 0.36 C ATOM 292 O ALA A 21 7.822 4.441 -5.134 1.00 0.40 O ATOM 293 CB ALA A 21 6.813 4.662 -2.155 1.00 0.64 C ATOM 0 H ALA A 21 7.546 6.997 -1.717 1.00 0.41 H new ATOM 0 HA ALA A 21 8.848 4.723 -2.781 1.00 0.45 H new ATOM 0 HB1 ALA A 21 6.634 3.667 -2.562 1.00 0.64 H new ATOM 0 HB2 ALA A 21 7.080 4.580 -1.101 1.00 0.64 H new ATOM 0 HB3 ALA A 21 5.909 5.263 -2.255 1.00 0.64 H new ATOM 299 N LEU A 22 7.074 6.541 -4.824 1.00 0.40 N ATOM 300 CA LEU A 22 6.701 6.743 -6.219 1.00 0.47 C ATOM 301 C LEU A 22 7.934 6.764 -7.116 1.00 0.44 C ATOM 302 O LEU A 22 7.870 6.375 -8.281 1.00 0.53 O ATOM 303 CB LEU A 22 5.913 8.047 -6.384 1.00 0.64 C ATOM 304 CG LEU A 22 4.499 8.031 -5.802 1.00 1.16 C ATOM 305 CD1 LEU A 22 3.849 9.399 -5.949 1.00 1.74 C ATOM 306 CD2 LEU A 22 3.656 6.966 -6.485 1.00 1.73 C ATOM 0 H LEU A 22 6.891 7.342 -4.220 1.00 0.40 H new ATOM 0 HA LEU A 22 6.068 5.908 -6.519 1.00 0.47 H new ATOM 0 HB2 LEU A 22 6.474 8.854 -5.912 1.00 0.64 H new ATOM 0 HB3 LEU A 22 5.849 8.282 -7.446 1.00 0.64 H new ATOM 0 HG LEU A 22 4.564 7.792 -4.741 1.00 1.16 H new ATOM 0 HD11 LEU A 22 2.843 9.371 -5.530 1.00 1.74 H new ATOM 0 HD12 LEU A 22 4.443 10.143 -5.418 1.00 1.74 H new ATOM 0 HD13 LEU A 22 3.795 9.665 -7.005 1.00 1.74 H new ATOM 0 HD21 LEU A 22 2.653 6.968 -6.059 1.00 1.73 H new ATOM 0 HD22 LEU A 22 3.597 7.178 -7.553 1.00 1.73 H new ATOM 0 HD23 LEU A 22 4.113 5.988 -6.334 1.00 1.73 H new ATOM 318 N LYS A 23 9.060 7.206 -6.563 1.00 0.43 N ATOM 319 CA LYS A 23 10.304 7.255 -7.318 1.00 0.52 C ATOM 320 C LYS A 23 10.852 5.850 -7.523 1.00 0.47 C ATOM 321 O LYS A 23 11.369 5.524 -8.587 1.00 0.56 O ATOM 322 CB LYS A 23 11.346 8.125 -6.606 1.00 0.61 C ATOM 323 CG LYS A 23 11.269 9.605 -6.962 1.00 1.13 C ATOM 324 CD LYS A 23 9.929 10.213 -6.586 1.00 1.51 C ATOM 325 CE LYS A 23 9.873 11.694 -6.926 1.00 2.12 C ATOM 326 NZ LYS A 23 10.065 11.937 -8.383 1.00 2.74 N ATOM 0 H LYS A 23 9.135 7.533 -5.600 1.00 0.43 H new ATOM 0 HA LYS A 23 10.092 7.701 -8.290 1.00 0.52 H new ATOM 0 HB2 LYS A 23 11.221 8.014 -5.529 1.00 0.61 H new ATOM 0 HB3 LYS A 23 12.341 7.755 -6.851 1.00 0.61 H new ATOM 0 HG2 LYS A 23 12.067 10.143 -6.450 1.00 1.13 H new ATOM 0 HG3 LYS A 23 11.436 9.729 -8.032 1.00 1.13 H new ATOM 0 HD2 LYS A 23 9.130 9.688 -7.110 1.00 1.51 H new ATOM 0 HD3 LYS A 23 9.753 10.077 -5.519 1.00 1.51 H new ATOM 0 HE2 LYS A 23 8.912 12.102 -6.613 1.00 2.12 H new ATOM 0 HE3 LYS A 23 10.642 12.225 -6.365 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 9.805 12.918 -8.609 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 11.062 11.777 -8.633 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 9.463 11.286 -8.926 1.00 2.74 H new ATOM 340 N ALA A 24 10.729 5.017 -6.497 1.00 0.40 N ATOM 341 CA ALA A 24 11.210 3.644 -6.576 1.00 0.43 C ATOM 342 C ALA A 24 10.171 2.731 -7.221 1.00 0.38 C ATOM 343 O ALA A 24 10.521 1.722 -7.830 1.00 0.46 O ATOM 344 CB ALA A 24 11.578 3.138 -5.189 1.00 0.51 C ATOM 0 H ALA A 24 10.302 5.267 -5.605 1.00 0.40 H new ATOM 0 HA ALA A 24 12.100 3.631 -7.205 1.00 0.43 H new ATOM 0 HB1 ALA A 24 11.936 2.111 -5.260 1.00 0.51 H new ATOM 0 HB2 ALA A 24 12.362 3.768 -4.768 1.00 0.51 H new ATOM 0 HB3 ALA A 24 10.700 3.172 -4.544 1.00 0.51 H new ATOM 350 N LEU A 25 8.898 3.090 -7.082 1.00 0.43 N ATOM 351 CA LEU A 25 7.811 2.298 -7.652 1.00 0.40 C ATOM 352 C LEU A 25 7.571 2.701 -9.100 1.00 0.37 C ATOM 353 O LEU A 25 7.084 1.908 -9.905 1.00 0.45 O ATOM 354 CB LEU A 25 6.524 2.480 -6.842 1.00 0.47 C ATOM 355 CG LEU A 25 5.533 1.319 -6.912 1.00 0.56 C ATOM 356 CD1 LEU A 25 6.204 0.014 -6.518 1.00 0.96 C ATOM 357 CD2 LEU A 25 4.343 1.591 -6.007 1.00 1.04 C ATOM 0 H LEU A 25 8.593 3.924 -6.580 1.00 0.43 H new ATOM 0 HA LEU A 25 8.099 1.247 -7.615 1.00 0.40 H new ATOM 0 HB2 LEU A 25 6.792 2.643 -5.798 1.00 0.47 H new ATOM 0 HB3 LEU A 25 6.023 3.384 -7.188 1.00 0.47 H new ATOM 0 HG LEU A 25 5.183 1.228 -7.940 1.00 0.56 H new ATOM 0 HD11 LEU A 25 5.480 -0.799 -6.575 1.00 0.96 H new ATOM 0 HD12 LEU A 25 7.032 -0.189 -7.197 1.00 0.96 H new ATOM 0 HD13 LEU A 25 6.582 0.093 -5.499 1.00 0.96 H new ATOM 0 HD21 LEU A 25 3.644 0.757 -6.065 1.00 1.04 H new ATOM 0 HD22 LEU A 25 4.686 1.706 -4.979 1.00 1.04 H new ATOM 0 HD23 LEU A 25 3.844 2.506 -6.327 1.00 1.04 H new ATOM 369 N GLY A 26 7.935 3.936 -9.430 1.00 0.43 N ATOM 370 CA GLY A 26 7.771 4.413 -10.786 1.00 0.53 C ATOM 371 C GLY A 26 8.773 3.748 -11.689 1.00 0.56 C ATOM 372 O GLY A 26 8.476 3.410 -12.835 1.00 0.82 O ATOM 0 H GLY A 26 8.340 4.612 -8.782 1.00 0.43 H new ATOM 0 HA2 GLY A 26 6.760 4.203 -11.134 1.00 0.53 H new ATOM 0 HA3 GLY A 26 7.901 5.495 -10.818 1.00 0.53 H new ATOM 376 N ASP A 27 9.960 3.534 -11.142 1.00 0.59 N ATOM 377 CA ASP A 27 11.027 2.874 -11.865 1.00 0.76 C ATOM 378 C ASP A 27 11.647 1.771 -11.019 1.00 0.56 C ATOM 379 O ASP A 27 12.468 2.030 -10.140 1.00 0.81 O ATOM 380 CB ASP A 27 12.099 3.879 -12.270 1.00 1.35 C ATOM 381 CG ASP A 27 12.319 4.955 -11.229 1.00 2.02 C ATOM 382 OD1 ASP A 27 11.411 5.794 -11.044 1.00 2.42 O ATOM 383 OD2 ASP A 27 13.397 4.963 -10.597 1.00 2.61 O ATOM 0 H ASP A 27 10.206 3.812 -10.192 1.00 0.59 H new ATOM 0 HA ASP A 27 10.601 2.429 -12.764 1.00 0.76 H new ATOM 0 HB2 ASP A 27 13.037 3.352 -12.445 1.00 1.35 H new ATOM 0 HB3 ASP A 27 11.815 4.345 -13.213 1.00 1.35 H new ATOM 388 N ILE A 28 11.254 0.541 -11.306 1.00 0.51 N ATOM 389 CA ILE A 28 11.773 -0.619 -10.596 1.00 0.51 C ATOM 390 C ILE A 28 12.603 -1.470 -11.547 1.00 0.49 C ATOM 391 O ILE A 28 12.278 -1.550 -12.731 1.00 0.48 O ATOM 392 CB ILE A 28 10.625 -1.475 -10.026 1.00 0.71 C ATOM 393 CG1 ILE A 28 9.551 -0.579 -9.406 1.00 0.82 C ATOM 394 CG2 ILE A 28 11.144 -2.466 -8.996 1.00 0.83 C ATOM 395 CD1 ILE A 28 8.474 -1.337 -8.661 1.00 1.26 C ATOM 0 H ILE A 28 10.572 0.318 -12.031 1.00 0.51 H new ATOM 0 HA ILE A 28 12.391 -0.266 -9.771 1.00 0.51 H new ATOM 0 HB ILE A 28 10.182 -2.039 -10.847 1.00 0.71 H new ATOM 0 HG12 ILE A 28 10.028 0.122 -8.721 1.00 0.82 H new ATOM 0 HG13 ILE A 28 9.086 0.012 -10.195 1.00 0.82 H new ATOM 0 HG21 ILE A 28 10.314 -3.057 -8.610 1.00 0.83 H new ATOM 0 HG22 ILE A 28 11.874 -3.127 -9.463 1.00 0.83 H new ATOM 0 HG23 ILE A 28 11.616 -1.925 -8.176 1.00 0.83 H new ATOM 0 HD11 ILE A 28 7.751 -0.632 -8.251 1.00 1.26 H new ATOM 0 HD12 ILE A 28 7.969 -2.018 -9.346 1.00 1.26 H new ATOM 0 HD13 ILE A 28 8.926 -1.907 -7.849 1.00 1.26 H new ATOM 407 N PRO A 29 13.678 -2.121 -11.056 1.00 0.68 N ATOM 408 CA PRO A 29 14.536 -2.972 -11.869 1.00 0.83 C ATOM 409 C PRO A 29 13.843 -3.567 -13.101 1.00 0.70 C ATOM 410 O PRO A 29 14.407 -3.560 -14.196 1.00 0.88 O ATOM 411 CB PRO A 29 14.890 -4.061 -10.869 1.00 1.07 C ATOM 412 CG PRO A 29 15.024 -3.338 -9.565 1.00 1.14 C ATOM 413 CD PRO A 29 14.165 -2.093 -9.661 1.00 0.87 C ATOM 0 HA PRO A 29 15.378 -2.430 -12.299 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.114 -4.825 -10.822 1.00 1.07 H new ATOM 0 HB3 PRO A 29 15.817 -4.565 -11.141 1.00 1.07 H new ATOM 0 HG2 PRO A 29 14.698 -3.969 -8.738 1.00 1.14 H new ATOM 0 HG3 PRO A 29 16.065 -3.075 -9.374 1.00 1.14 H new ATOM 0 HD2 PRO A 29 13.342 -2.117 -8.947 1.00 0.87 H new ATOM 0 HD3 PRO A 29 14.740 -1.191 -9.454 1.00 0.87 H new ATOM 421 N GLU A 30 12.623 -4.077 -12.924 1.00 0.54 N ATOM 422 CA GLU A 30 11.878 -4.667 -14.037 1.00 0.58 C ATOM 423 C GLU A 30 10.373 -4.419 -13.918 1.00 0.60 C ATOM 424 O GLU A 30 9.603 -4.820 -14.793 1.00 1.01 O ATOM 425 CB GLU A 30 12.139 -6.174 -14.115 1.00 0.62 C ATOM 426 CG GLU A 30 13.596 -6.531 -14.365 1.00 0.63 C ATOM 427 CD GLU A 30 13.818 -8.027 -14.479 1.00 1.39 C ATOM 428 OE1 GLU A 30 13.517 -8.748 -13.507 1.00 2.35 O ATOM 429 OE2 GLU A 30 14.292 -8.476 -15.544 1.00 1.66 O ATOM 0 H GLU A 30 12.134 -4.094 -12.029 1.00 0.54 H new ATOM 0 HA GLU A 30 12.230 -4.183 -14.948 1.00 0.58 H new ATOM 0 HB2 GLU A 30 11.815 -6.638 -13.184 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.528 -6.599 -14.912 1.00 0.62 H new ATOM 0 HG2 GLU A 30 13.933 -6.046 -15.281 1.00 0.63 H new ATOM 0 HG3 GLU A 30 14.207 -6.137 -13.553 1.00 0.63 H new ATOM 436 N SER A 31 9.951 -3.762 -12.840 1.00 0.36 N ATOM 437 CA SER A 31 8.537 -3.478 -12.628 1.00 0.34 C ATOM 438 C SER A 31 8.172 -2.082 -13.129 1.00 0.36 C ATOM 439 O SER A 31 9.033 -1.340 -13.605 1.00 0.46 O ATOM 440 CB SER A 31 8.186 -3.620 -11.149 1.00 0.37 C ATOM 441 OG SER A 31 8.435 -4.936 -10.690 1.00 0.83 O ATOM 0 H SER A 31 10.567 -3.418 -12.103 1.00 0.36 H new ATOM 0 HA SER A 31 7.958 -4.202 -13.201 1.00 0.34 H new ATOM 0 HB2 SER A 31 8.771 -2.911 -10.564 1.00 0.37 H new ATOM 0 HB3 SER A 31 7.136 -3.371 -10.996 1.00 0.37 H new ATOM 0 HG SER A 31 7.964 -5.082 -9.843 1.00 0.83 H new ATOM 447 N HIS A 32 6.889 -1.730 -13.024 1.00 0.33 N ATOM 448 CA HIS A 32 6.411 -0.426 -13.471 1.00 0.39 C ATOM 449 C HIS A 32 4.937 -0.253 -13.120 1.00 0.34 C ATOM 450 O HIS A 32 4.128 -1.155 -13.328 1.00 0.36 O ATOM 451 CB HIS A 32 6.610 -0.274 -14.975 1.00 0.51 C ATOM 452 CG HIS A 32 6.154 1.047 -15.516 1.00 0.94 C ATOM 453 ND1 HIS A 32 6.700 2.251 -15.124 1.00 1.83 N ATOM 454 CD2 HIS A 32 5.192 1.349 -16.421 1.00 1.60 C ATOM 455 CE1 HIS A 32 6.095 3.236 -15.764 1.00 2.29 C ATOM 456 NE2 HIS A 32 5.177 2.715 -16.557 1.00 2.07 N ATOM 0 H HIS A 32 6.164 -2.332 -12.633 1.00 0.33 H new ATOM 0 HA HIS A 32 6.987 0.346 -12.961 1.00 0.39 H new ATOM 0 HB2 HIS A 32 7.667 -0.406 -15.207 1.00 0.51 H new ATOM 0 HB3 HIS A 32 6.070 -1.071 -15.486 1.00 0.51 H new ATOM 0 HD1 HIS A 32 7.453 2.364 -14.446 1.00 1.83 H new ATOM 0 HD2 HIS A 32 4.556 0.646 -16.939 1.00 1.60 H new ATOM 0 HE1 HIS A 32 6.314 4.288 -15.657 1.00 2.29 H new ATOM 465 N ILE A 33 4.602 0.905 -12.579 1.00 0.36 N ATOM 466 CA ILE A 33 3.234 1.206 -12.178 1.00 0.36 C ATOM 467 C ILE A 33 2.303 1.367 -13.383 1.00 0.38 C ATOM 468 O ILE A 33 2.732 1.792 -14.456 1.00 0.50 O ATOM 469 CB ILE A 33 3.217 2.487 -11.337 1.00 0.53 C ATOM 470 CG1 ILE A 33 3.972 2.241 -10.032 1.00 0.58 C ATOM 471 CG2 ILE A 33 1.791 2.948 -11.067 1.00 0.93 C ATOM 472 CD1 ILE A 33 4.090 3.458 -9.154 1.00 1.05 C ATOM 0 H ILE A 33 5.264 1.661 -12.405 1.00 0.36 H new ATOM 0 HA ILE A 33 2.868 0.365 -11.590 1.00 0.36 H new ATOM 0 HB ILE A 33 3.712 3.284 -11.891 1.00 0.53 H new ATOM 0 HG12 ILE A 33 3.467 1.452 -9.475 1.00 0.58 H new ATOM 0 HG13 ILE A 33 4.972 1.876 -10.266 1.00 0.58 H new ATOM 0 HG21 ILE A 33 1.810 3.859 -10.468 1.00 0.93 H new ATOM 0 HG22 ILE A 33 1.287 3.146 -12.013 1.00 0.93 H new ATOM 0 HG23 ILE A 33 1.253 2.169 -10.526 1.00 0.93 H new ATOM 0 HD11 ILE A 33 4.639 3.201 -8.248 1.00 1.05 H new ATOM 0 HD12 ILE A 33 4.623 4.243 -9.690 1.00 1.05 H new ATOM 0 HD13 ILE A 33 3.094 3.812 -8.887 1.00 1.05 H new ATOM 484 N LEU A 34 1.022 1.031 -13.197 1.00 0.38 N ATOM 485 CA LEU A 34 0.037 1.151 -14.272 1.00 0.50 C ATOM 486 C LEU A 34 -1.341 1.569 -13.746 1.00 0.46 C ATOM 487 O LEU A 34 -2.112 2.206 -14.466 1.00 0.60 O ATOM 488 CB LEU A 34 -0.054 -0.158 -15.070 1.00 0.65 C ATOM 489 CG LEU A 34 -0.163 -1.445 -14.247 1.00 1.01 C ATOM 490 CD1 LEU A 34 -1.537 -1.570 -13.611 1.00 1.69 C ATOM 491 CD2 LEU A 34 0.128 -2.656 -15.119 1.00 1.34 C ATOM 0 H LEU A 34 0.647 0.676 -12.317 1.00 0.38 H new ATOM 0 HA LEU A 34 0.378 1.942 -14.940 1.00 0.50 H new ATOM 0 HB2 LEU A 34 -0.920 -0.098 -15.729 1.00 0.65 H new ATOM 0 HB3 LEU A 34 0.827 -0.233 -15.708 1.00 0.65 H new ATOM 0 HG LEU A 34 0.577 -1.401 -13.448 1.00 1.01 H new ATOM 0 HD11 LEU A 34 -1.588 -2.492 -13.032 1.00 1.69 H new ATOM 0 HD12 LEU A 34 -1.712 -0.719 -12.953 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -2.298 -1.589 -14.391 1.00 1.69 H new ATOM 0 HD21 LEU A 34 0.047 -3.563 -14.520 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -0.590 -2.696 -15.938 1.00 1.34 H new ATOM 0 HD23 LEU A 34 1.137 -2.578 -15.525 1.00 1.34 H new ATOM 503 N THR A 35 -1.649 1.225 -12.495 1.00 0.46 N ATOM 504 CA THR A 35 -2.938 1.590 -11.899 1.00 0.43 C ATOM 505 C THR A 35 -2.751 2.281 -10.552 1.00 0.43 C ATOM 506 O THR A 35 -2.140 1.728 -9.637 1.00 0.52 O ATOM 507 CB THR A 35 -3.841 0.361 -11.739 1.00 0.49 C ATOM 508 OG1 THR A 35 -3.119 -0.725 -11.196 1.00 0.68 O ATOM 509 CG2 THR A 35 -4.471 -0.097 -13.038 1.00 0.72 C ATOM 0 H THR A 35 -1.031 0.699 -11.878 1.00 0.46 H new ATOM 0 HA THR A 35 -3.422 2.290 -12.580 1.00 0.43 H new ATOM 0 HB THR A 35 -4.638 0.675 -11.066 1.00 0.49 H new ATOM 0 HG1 THR A 35 -2.223 -0.425 -10.935 1.00 0.68 H new ATOM 0 HG21 THR A 35 -5.096 -0.970 -12.851 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.082 0.706 -13.449 1.00 0.72 H new ATOM 0 HG23 THR A 35 -3.688 -0.358 -13.750 1.00 0.72 H new ATOM 517 N VAL A 36 -3.292 3.492 -10.444 1.00 0.40 N ATOM 518 CA VAL A 36 -3.204 4.283 -9.217 1.00 0.46 C ATOM 519 C VAL A 36 -4.388 5.236 -9.116 1.00 0.48 C ATOM 520 O VAL A 36 -4.538 6.134 -9.944 1.00 0.56 O ATOM 521 CB VAL A 36 -1.899 5.111 -9.152 1.00 0.58 C ATOM 522 CG1 VAL A 36 -1.893 6.008 -7.923 1.00 1.32 C ATOM 523 CG2 VAL A 36 -0.678 4.206 -9.153 1.00 1.45 C ATOM 0 H VAL A 36 -3.801 3.951 -11.199 1.00 0.40 H new ATOM 0 HA VAL A 36 -3.211 3.578 -8.386 1.00 0.46 H new ATOM 0 HB VAL A 36 -1.857 5.740 -10.041 1.00 0.58 H new ATOM 0 HG11 VAL A 36 -0.967 6.582 -7.896 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -2.742 6.691 -7.967 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -1.966 5.395 -7.025 1.00 1.32 H new ATOM 0 HG21 VAL A 36 0.226 4.814 -9.107 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -0.715 3.544 -8.288 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -0.668 3.610 -10.065 1.00 1.45 H new ATOM 533 N SER A 37 -5.227 5.044 -8.103 1.00 0.45 N ATOM 534 CA SER A 37 -6.390 5.900 -7.917 1.00 0.54 C ATOM 535 C SER A 37 -7.096 5.588 -6.603 1.00 0.57 C ATOM 536 O SER A 37 -6.717 4.661 -5.887 1.00 1.08 O ATOM 537 CB SER A 37 -7.366 5.726 -9.084 1.00 0.65 C ATOM 538 OG SER A 37 -8.498 6.568 -8.937 1.00 1.28 O ATOM 0 H SER A 37 -5.124 4.309 -7.404 1.00 0.45 H new ATOM 0 HA SER A 37 -6.046 6.934 -7.885 1.00 0.54 H new ATOM 0 HB2 SER A 37 -6.860 5.954 -10.022 1.00 0.65 H new ATOM 0 HB3 SER A 37 -7.688 4.686 -9.140 1.00 0.65 H new ATOM 0 HG SER A 37 -9.103 6.438 -9.697 1.00 1.28 H new ATOM 544 N SER A 38 -8.127 6.371 -6.303 1.00 0.59 N ATOM 545 CA SER A 38 -8.907 6.193 -5.085 1.00 0.59 C ATOM 546 C SER A 38 -8.059 6.428 -3.837 1.00 0.52 C ATOM 547 O SER A 38 -7.725 5.488 -3.114 1.00 0.63 O ATOM 548 CB SER A 38 -9.532 4.795 -5.052 1.00 0.78 C ATOM 549 OG SER A 38 -10.374 4.586 -6.171 1.00 1.68 O ATOM 0 H SER A 38 -8.443 7.141 -6.893 1.00 0.59 H new ATOM 0 HA SER A 38 -9.704 6.936 -5.089 1.00 0.59 H new ATOM 0 HB2 SER A 38 -8.744 4.042 -5.040 1.00 0.78 H new ATOM 0 HB3 SER A 38 -10.106 4.671 -4.133 1.00 0.78 H new ATOM 0 HG SER A 38 -9.851 4.207 -6.908 1.00 1.68 H new ATOM 555 N PHE A 39 -7.729 7.691 -3.583 1.00 0.44 N ATOM 556 CA PHE A 39 -6.938 8.060 -2.412 1.00 0.50 C ATOM 557 C PHE A 39 -7.858 8.233 -1.209 1.00 0.57 C ATOM 558 O PHE A 39 -8.640 9.182 -1.146 1.00 0.75 O ATOM 559 CB PHE A 39 -6.160 9.357 -2.666 1.00 0.59 C ATOM 560 CG PHE A 39 -5.125 9.256 -3.758 1.00 0.59 C ATOM 561 CD1 PHE A 39 -5.461 8.776 -5.016 1.00 0.65 C ATOM 562 CD2 PHE A 39 -3.814 9.641 -3.523 1.00 0.83 C ATOM 563 CE1 PHE A 39 -4.512 8.686 -6.015 1.00 0.98 C ATOM 564 CE2 PHE A 39 -2.861 9.553 -4.520 1.00 1.19 C ATOM 565 CZ PHE A 39 -3.210 9.074 -5.766 1.00 1.26 C ATOM 0 H PHE A 39 -7.998 8.478 -4.174 1.00 0.44 H new ATOM 0 HA PHE A 39 -6.220 7.265 -2.211 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -6.866 10.146 -2.923 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -5.668 9.659 -1.742 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -6.477 8.469 -5.216 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -3.534 10.014 -2.549 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -4.788 8.313 -6.990 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -1.844 9.859 -4.324 1.00 1.19 H new ATOM 0 HZ PHE A 39 -2.466 9.003 -6.546 1.00 1.26 H new ATOM 575 N TYR A 40 -7.789 7.299 -0.268 1.00 0.65 N ATOM 576 CA TYR A 40 -8.652 7.353 0.906 1.00 0.81 C ATOM 577 C TYR A 40 -8.010 8.071 2.086 1.00 0.71 C ATOM 578 O TYR A 40 -6.826 8.408 2.071 1.00 0.71 O ATOM 579 CB TYR A 40 -9.098 5.950 1.312 1.00 1.01 C ATOM 580 CG TYR A 40 -10.124 5.368 0.371 1.00 1.49 C ATOM 581 CD1 TYR A 40 -9.811 5.099 -0.955 1.00 1.73 C ATOM 582 CD2 TYR A 40 -11.418 5.112 0.804 1.00 2.39 C ATOM 583 CE1 TYR A 40 -10.758 4.591 -1.821 1.00 2.61 C ATOM 584 CE2 TYR A 40 -12.369 4.599 -0.056 1.00 3.35 C ATOM 585 CZ TYR A 40 -12.034 4.342 -1.368 1.00 3.41 C ATOM 586 OH TYR A 40 -12.978 3.831 -2.228 1.00 4.43 O ATOM 0 H TYR A 40 -7.152 6.503 -0.293 1.00 0.65 H new ATOM 0 HA TYR A 40 -9.525 7.940 0.621 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -8.229 5.293 1.346 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -9.513 5.983 2.319 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -8.811 5.290 -1.314 1.00 1.73 H new ATOM 0 HD2 TYR A 40 -11.685 5.317 1.830 1.00 2.39 H new ATOM 0 HE1 TYR A 40 -10.499 4.390 -2.850 1.00 2.61 H new ATOM 0 HE2 TYR A 40 -13.370 4.400 0.298 1.00 3.35 H new ATOM 0 HH TYR A 40 -12.789 4.135 -3.140 1.00 4.43 H new ATOM 596 N ARG A 41 -8.838 8.316 3.097 1.00 0.70 N ATOM 597 CA ARG A 41 -8.425 9.014 4.307 1.00 0.67 C ATOM 598 C ARG A 41 -8.200 8.037 5.461 1.00 0.64 C ATOM 599 O ARG A 41 -9.148 7.445 5.977 1.00 0.70 O ATOM 600 CB ARG A 41 -9.506 10.029 4.689 1.00 0.79 C ATOM 601 CG ARG A 41 -9.212 10.806 5.962 1.00 0.95 C ATOM 602 CD ARG A 41 -10.368 11.721 6.333 1.00 1.52 C ATOM 603 NE ARG A 41 -11.616 10.985 6.523 1.00 2.11 N ATOM 604 CZ ARG A 41 -11.803 10.075 7.477 1.00 2.49 C ATOM 605 NH1 ARG A 41 -10.834 9.797 8.337 1.00 2.37 N ATOM 606 NH2 ARG A 41 -12.967 9.448 7.574 1.00 3.51 N ATOM 0 H ARG A 41 -9.818 8.034 3.099 1.00 0.70 H new ATOM 0 HA ARG A 41 -7.482 9.524 4.112 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -9.632 10.734 3.868 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -10.454 9.505 4.808 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -9.020 10.110 6.779 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -8.306 11.398 5.828 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -10.123 12.260 7.248 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -10.504 12.467 5.550 1.00 1.52 H new ATOM 0 HE ARG A 41 -12.390 11.180 5.887 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -9.939 10.281 8.270 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -10.983 9.099 9.066 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -13.718 9.663 6.918 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -13.111 8.751 8.304 1.00 3.51 H new ATOM 620 N THR A 42 -6.941 7.884 5.870 1.00 0.80 N ATOM 621 CA THR A 42 -6.597 6.990 6.974 1.00 0.97 C ATOM 622 C THR A 42 -6.410 7.766 8.288 1.00 1.03 C ATOM 623 O THR A 42 -5.363 8.386 8.520 1.00 1.12 O ATOM 624 CB THR A 42 -5.323 6.205 6.657 1.00 1.17 C ATOM 625 OG1 THR A 42 -5.494 5.418 5.492 1.00 1.44 O ATOM 626 CG2 THR A 42 -4.903 5.278 7.778 1.00 1.32 C ATOM 0 H THR A 42 -6.144 8.367 5.454 1.00 0.80 H new ATOM 0 HA THR A 42 -7.427 6.294 7.098 1.00 0.97 H new ATOM 0 HB THR A 42 -4.547 6.957 6.513 1.00 1.17 H new ATOM 0 HG1 THR A 42 -5.785 5.989 4.751 1.00 1.44 H new ATOM 0 HG21 THR A 42 -3.993 4.750 7.492 1.00 1.32 H new ATOM 0 HG22 THR A 42 -4.716 5.860 8.681 1.00 1.32 H new ATOM 0 HG23 THR A 42 -5.697 4.556 7.970 1.00 1.32 H new ATOM 634 N PRO A 43 -7.423 7.737 9.173 1.00 1.12 N ATOM 635 CA PRO A 43 -7.349 8.429 10.462 1.00 1.31 C ATOM 636 C PRO A 43 -6.442 7.688 11.442 1.00 1.50 C ATOM 637 O PRO A 43 -6.299 6.471 11.356 1.00 1.71 O ATOM 638 CB PRO A 43 -8.798 8.416 10.950 1.00 1.48 C ATOM 639 CG PRO A 43 -9.404 7.211 10.317 1.00 1.38 C ATOM 640 CD PRO A 43 -8.707 7.027 8.995 1.00 1.15 C ATOM 0 HA PRO A 43 -6.930 9.432 10.378 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -8.848 8.359 12.037 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -9.323 9.324 10.654 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -9.274 6.333 10.950 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -10.476 7.345 10.175 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -8.553 5.972 8.767 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -9.287 7.449 8.174 1.00 1.15 H new ATOM 648 N PRO A 44 -5.796 8.408 12.374 1.00 1.55 N ATOM 649 CA PRO A 44 -4.894 7.796 13.350 1.00 1.80 C ATOM 650 C PRO A 44 -5.636 7.193 14.545 1.00 2.15 C ATOM 651 O PRO A 44 -5.473 7.655 15.676 1.00 2.77 O ATOM 652 CB PRO A 44 -4.046 8.980 13.803 1.00 1.80 C ATOM 653 CG PRO A 44 -4.980 10.136 13.730 1.00 1.81 C ATOM 654 CD PRO A 44 -5.867 9.874 12.542 1.00 1.54 C ATOM 0 HA PRO A 44 -4.329 6.967 12.924 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -3.666 8.836 14.815 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -3.181 9.123 13.155 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -5.567 10.223 14.644 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -4.435 11.072 13.612 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -6.889 10.208 12.723 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -5.513 10.397 11.654 1.00 1.54 H new ATOM 662 N LEU A 45 -6.448 6.163 14.303 1.00 2.16 N ATOM 663 CA LEU A 45 -7.197 5.524 15.387 1.00 2.52 C ATOM 664 C LEU A 45 -6.334 4.508 16.130 1.00 2.69 C ATOM 665 O LEU A 45 -6.847 3.626 16.818 1.00 3.09 O ATOM 666 CB LEU A 45 -8.499 4.860 14.884 1.00 2.75 C ATOM 667 CG LEU A 45 -8.399 3.893 13.686 1.00 3.05 C ATOM 668 CD1 LEU A 45 -8.187 4.653 12.389 1.00 3.66 C ATOM 669 CD2 LEU A 45 -7.297 2.861 13.879 1.00 3.32 C ATOM 0 H LEU A 45 -6.603 5.758 13.380 1.00 2.16 H new ATOM 0 HA LEU A 45 -7.479 6.315 16.082 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -8.940 4.315 15.718 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -9.197 5.653 14.616 1.00 2.75 H new ATOM 0 HG LEU A 45 -9.348 3.359 13.628 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -8.120 3.948 11.561 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -9.025 5.330 12.223 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -7.263 5.228 12.451 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -7.261 2.201 13.013 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -6.338 3.368 13.988 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -7.501 2.274 14.775 1.00 3.32 H new ATOM 681 N GLY A 46 -5.021 4.636 15.980 1.00 2.52 N ATOM 682 CA GLY A 46 -4.104 3.722 16.633 1.00 2.73 C ATOM 683 C GLY A 46 -2.653 3.987 16.266 1.00 2.68 C ATOM 684 O GLY A 46 -1.800 4.068 17.150 1.00 2.81 O ATOM 0 H GLY A 46 -4.574 5.359 15.416 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -4.222 3.805 17.713 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -4.362 2.698 16.361 1.00 2.73 H new ATOM 688 N PRO A 47 -2.337 4.124 14.959 1.00 2.59 N ATOM 689 CA PRO A 47 -0.968 4.380 14.501 1.00 2.65 C ATOM 690 C PRO A 47 -0.259 5.444 15.334 1.00 2.60 C ATOM 691 O PRO A 47 0.739 5.156 15.994 1.00 2.86 O ATOM 692 CB PRO A 47 -1.170 4.859 13.066 1.00 2.59 C ATOM 693 CG PRO A 47 -2.402 4.162 12.612 1.00 2.63 C ATOM 694 CD PRO A 47 -3.284 4.040 13.826 1.00 2.54 C ATOM 0 HA PRO A 47 -0.334 3.498 14.587 1.00 2.65 H new ATOM 0 HB2 PRO A 47 -1.287 5.942 13.022 1.00 2.59 H new ATOM 0 HB3 PRO A 47 -0.316 4.605 12.439 1.00 2.59 H new ATOM 0 HG2 PRO A 47 -2.900 4.726 11.823 1.00 2.63 H new ATOM 0 HG3 PRO A 47 -2.166 3.180 12.202 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -4.025 4.838 13.864 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -3.831 3.097 13.830 1.00 2.54 H new ATOM 702 N GLN A 48 -0.774 6.673 15.310 1.00 2.39 N ATOM 703 CA GLN A 48 -0.169 7.757 16.079 1.00 2.50 C ATOM 704 C GLN A 48 -1.222 8.510 16.895 1.00 2.40 C ATOM 705 O GLN A 48 -2.079 7.900 17.534 1.00 2.57 O ATOM 706 CB GLN A 48 0.580 8.720 15.153 1.00 2.56 C ATOM 707 CG GLN A 48 1.654 8.051 14.308 1.00 2.73 C ATOM 708 CD GLN A 48 1.099 7.373 13.068 1.00 2.73 C ATOM 709 OE1 GLN A 48 -0.162 7.644 12.751 1.00 3.26 O flip ATOM 710 NE2 GLN A 48 1.805 6.627 12.390 1.00 2.45 N flip ATOM 0 H GLN A 48 -1.599 6.940 14.773 1.00 2.39 H new ATOM 0 HA GLN A 48 0.545 7.316 16.775 1.00 2.50 H new ATOM 0 HB2 GLN A 48 -0.138 9.206 14.493 1.00 2.56 H new ATOM 0 HB3 GLN A 48 1.040 9.503 15.755 1.00 2.56 H new ATOM 0 HG2 GLN A 48 2.390 8.797 14.008 1.00 2.73 H new ATOM 0 HG3 GLN A 48 2.178 7.313 14.915 1.00 2.73 H new ATOM 0 HE21 GLN A 48 2.769 6.445 12.669 1.00 2.45 H new ATOM 0 HE22 GLN A 48 1.426 6.191 11.549 1.00 2.45 H new ATOM 719 N ASP A 49 -1.155 9.837 16.857 1.00 2.45 N ATOM 720 CA ASP A 49 -2.098 10.686 17.571 1.00 2.47 C ATOM 721 C ASP A 49 -2.605 11.745 16.614 1.00 2.38 C ATOM 722 O ASP A 49 -3.796 12.053 16.566 1.00 2.57 O ATOM 723 CB ASP A 49 -1.431 11.339 18.783 1.00 2.79 C ATOM 724 CG ASP A 49 -0.894 10.319 19.768 1.00 2.83 C ATOM 725 OD1 ASP A 49 -0.010 9.526 19.381 1.00 3.28 O ATOM 726 OD2 ASP A 49 -1.358 10.313 20.929 1.00 3.02 O ATOM 0 H ASP A 49 -0.448 10.351 16.332 1.00 2.45 H new ATOM 0 HA ASP A 49 -2.929 10.083 17.937 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -0.615 11.978 18.445 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -2.151 11.983 19.288 1.00 2.79 H new ATOM 731 N GLN A 50 -1.678 12.258 15.816 1.00 2.26 N ATOM 732 CA GLN A 50 -1.996 13.243 14.803 1.00 2.39 C ATOM 733 C GLN A 50 -2.390 12.516 13.528 1.00 2.01 C ATOM 734 O GLN A 50 -1.970 11.379 13.308 1.00 2.19 O ATOM 735 CB GLN A 50 -0.802 14.170 14.544 1.00 3.08 C ATOM 736 CG GLN A 50 0.520 13.438 14.369 1.00 3.45 C ATOM 737 CD GLN A 50 1.121 12.993 15.689 1.00 3.73 C ATOM 738 OE1 GLN A 50 1.332 11.690 15.831 1.00 4.34 O flip ATOM 739 NE2 GLN A 50 1.395 13.810 16.567 1.00 3.74 N flip ATOM 0 H GLN A 50 -0.691 12.002 15.856 1.00 2.26 H new ATOM 0 HA GLN A 50 -2.823 13.863 15.148 1.00 2.39 H new ATOM 0 HB2 GLN A 50 -1.000 14.760 13.649 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -0.711 14.870 15.374 1.00 3.08 H new ATOM 0 HG2 GLN A 50 0.367 12.567 13.732 1.00 3.45 H new ATOM 0 HG3 GLN A 50 1.226 14.089 13.854 1.00 3.45 H new ATOM 0 HE21 GLN A 50 1.216 14.802 16.414 1.00 3.74 H new ATOM 0 HE22 GLN A 50 1.802 13.495 17.448 1.00 3.74 H new ATOM 748 N PRO A 51 -3.217 13.135 12.679 1.00 1.98 N ATOM 749 CA PRO A 51 -3.675 12.504 11.441 1.00 2.00 C ATOM 750 C PRO A 51 -2.539 11.908 10.614 1.00 1.82 C ATOM 751 O PRO A 51 -1.386 12.321 10.724 1.00 2.47 O ATOM 752 CB PRO A 51 -4.344 13.652 10.688 1.00 2.71 C ATOM 753 CG PRO A 51 -4.806 14.585 11.753 1.00 2.89 C ATOM 754 CD PRO A 51 -3.796 14.481 12.863 1.00 2.51 C ATOM 0 HA PRO A 51 -4.335 11.660 11.642 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -3.645 14.141 10.009 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -5.179 13.296 10.084 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -4.868 15.606 11.377 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -5.801 14.313 12.105 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -3.036 15.258 12.788 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -4.264 14.586 13.842 1.00 2.51 H new ATOM 762 N ASP A 52 -2.889 10.927 9.783 1.00 1.32 N ATOM 763 CA ASP A 52 -1.921 10.254 8.922 1.00 1.52 C ATOM 764 C ASP A 52 -2.606 9.767 7.651 1.00 1.28 C ATOM 765 O ASP A 52 -2.056 8.968 6.893 1.00 2.07 O ATOM 766 CB ASP A 52 -1.280 9.077 9.663 1.00 2.12 C ATOM 767 CG ASP A 52 -2.296 8.038 10.096 1.00 2.77 C ATOM 768 OD1 ASP A 52 -2.934 7.429 9.213 1.00 3.33 O ATOM 769 OD2 ASP A 52 -2.453 7.833 11.317 1.00 3.26 O ATOM 0 H ASP A 52 -3.843 10.580 9.689 1.00 1.32 H new ATOM 0 HA ASP A 52 -1.138 10.962 8.652 1.00 1.52 H new ATOM 0 HB2 ASP A 52 -0.538 8.607 9.018 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -0.750 9.449 10.540 1.00 2.12 H new ATOM 774 N TYR A 53 -3.832 10.227 7.462 1.00 0.84 N ATOM 775 CA TYR A 53 -4.656 9.840 6.324 1.00 1.19 C ATOM 776 C TYR A 53 -4.153 10.287 4.942 1.00 0.96 C ATOM 777 O TYR A 53 -4.433 11.393 4.498 1.00 1.43 O ATOM 778 CB TYR A 53 -6.068 10.400 6.536 1.00 2.08 C ATOM 779 CG TYR A 53 -6.140 11.806 7.118 1.00 3.12 C ATOM 780 CD1 TYR A 53 -5.310 12.829 6.671 1.00 3.74 C ATOM 781 CD2 TYR A 53 -7.065 12.107 8.109 1.00 3.88 C ATOM 782 CE1 TYR A 53 -5.397 14.104 7.196 1.00 4.86 C ATOM 783 CE2 TYR A 53 -7.161 13.380 8.639 1.00 5.03 C ATOM 784 CZ TYR A 53 -6.325 14.373 8.178 1.00 5.45 C ATOM 785 OH TYR A 53 -6.418 15.641 8.701 1.00 6.66 O ATOM 0 H TYR A 53 -4.288 10.883 8.096 1.00 0.84 H new ATOM 0 HA TYR A 53 -4.623 8.751 6.300 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -6.588 10.396 5.578 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -6.611 9.725 7.197 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -4.584 12.623 5.899 1.00 3.74 H new ATOM 0 HD2 TYR A 53 -7.722 11.331 8.473 1.00 3.88 H new ATOM 0 HE1 TYR A 53 -4.742 14.885 6.839 1.00 4.86 H new ATOM 0 HE2 TYR A 53 -7.887 13.595 9.409 1.00 5.03 H new ATOM 0 HH TYR A 53 -7.122 15.663 9.382 1.00 6.66 H new ATOM 795 N LEU A 54 -3.499 9.376 4.220 1.00 0.84 N ATOM 796 CA LEU A 54 -3.062 9.646 2.853 1.00 0.76 C ATOM 797 C LEU A 54 -2.607 8.347 2.202 1.00 0.76 C ATOM 798 O LEU A 54 -1.411 8.077 2.082 1.00 0.98 O ATOM 799 CB LEU A 54 -1.960 10.707 2.796 1.00 0.97 C ATOM 800 CG LEU A 54 -1.818 11.431 1.449 1.00 1.15 C ATOM 801 CD1 LEU A 54 -1.334 10.483 0.364 1.00 1.60 C ATOM 802 CD2 LEU A 54 -3.143 12.062 1.046 1.00 1.60 C ATOM 0 H LEU A 54 -3.261 8.445 4.561 1.00 0.84 H new ATOM 0 HA LEU A 54 -3.908 10.052 2.299 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -2.152 11.449 3.571 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -1.009 10.233 3.038 1.00 0.97 H new ATOM 0 HG LEU A 54 -1.073 12.218 1.566 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -1.243 11.024 -0.578 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -0.362 10.076 0.644 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -2.049 9.669 0.247 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -3.027 12.572 0.089 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -3.903 11.286 0.954 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -3.449 12.781 1.806 1.00 1.60 H new ATOM 814 N ASN A 55 -3.582 7.539 1.798 1.00 0.60 N ATOM 815 CA ASN A 55 -3.312 6.250 1.173 1.00 0.66 C ATOM 816 C ASN A 55 -3.924 6.177 -0.221 1.00 0.50 C ATOM 817 O ASN A 55 -4.796 6.973 -0.568 1.00 0.56 O ATOM 818 CB ASN A 55 -3.870 5.133 2.051 1.00 0.87 C ATOM 819 CG ASN A 55 -5.313 5.383 2.436 1.00 1.51 C ATOM 820 OD1 ASN A 55 -5.626 6.362 3.112 1.00 2.21 O ATOM 821 ND2 ASN A 55 -6.200 4.502 2.002 1.00 2.21 N ATOM 0 H ASN A 55 -4.574 7.757 1.894 1.00 0.60 H new ATOM 0 HA ASN A 55 -2.233 6.132 1.072 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -3.795 4.183 1.521 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -3.264 5.043 2.953 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -7.188 4.621 2.226 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -5.896 3.704 1.444 1.00 2.21 H new ATOM 828 N ALA A 56 -3.461 5.217 -1.017 1.00 0.50 N ATOM 829 CA ALA A 56 -3.962 5.042 -2.375 1.00 0.45 C ATOM 830 C ALA A 56 -3.573 3.681 -2.947 1.00 0.45 C ATOM 831 O ALA A 56 -2.553 3.102 -2.570 1.00 0.61 O ATOM 832 CB ALA A 56 -3.448 6.158 -3.272 1.00 0.58 C ATOM 0 H ALA A 56 -2.740 4.549 -0.744 1.00 0.50 H new ATOM 0 HA ALA A 56 -5.050 5.086 -2.337 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -3.829 6.016 -4.283 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -3.788 7.120 -2.888 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -2.358 6.139 -3.289 1.00 0.58 H new ATOM 838 N ALA A 57 -4.397 3.184 -3.866 1.00 0.43 N ATOM 839 CA ALA A 57 -4.155 1.896 -4.504 1.00 0.47 C ATOM 840 C ALA A 57 -3.157 2.029 -5.643 1.00 0.40 C ATOM 841 O ALA A 57 -3.421 2.709 -6.636 1.00 0.44 O ATOM 842 CB ALA A 57 -5.457 1.310 -5.028 1.00 0.59 C ATOM 0 H ALA A 57 -5.242 3.658 -4.186 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.737 1.226 -3.753 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -5.259 0.348 -5.501 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -6.152 1.170 -4.200 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -5.894 1.991 -5.758 1.00 0.59 H new ATOM 848 N VAL A 58 -2.012 1.369 -5.500 1.00 0.39 N ATOM 849 CA VAL A 58 -0.981 1.408 -6.526 1.00 0.39 C ATOM 850 C VAL A 58 -0.648 0.003 -7.013 1.00 0.40 C ATOM 851 O VAL A 58 0.347 -0.593 -6.601 1.00 0.60 O ATOM 852 CB VAL A 58 0.301 2.090 -6.018 1.00 0.49 C ATOM 853 CG1 VAL A 58 1.310 2.233 -7.147 1.00 1.11 C ATOM 854 CG2 VAL A 58 -0.020 3.445 -5.406 1.00 1.22 C ATOM 0 H VAL A 58 -1.777 0.803 -4.685 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.379 1.993 -7.355 1.00 0.39 H new ATOM 0 HB VAL A 58 0.742 1.463 -5.243 1.00 0.49 H new ATOM 0 HG11 VAL A 58 2.211 2.717 -6.771 1.00 1.11 H new ATOM 0 HG12 VAL A 58 1.564 1.247 -7.535 1.00 1.11 H new ATOM 0 HG13 VAL A 58 0.880 2.838 -7.945 1.00 1.11 H new ATOM 0 HG21 VAL A 58 0.899 3.912 -5.053 1.00 1.22 H new ATOM 0 HG22 VAL A 58 -0.485 4.083 -6.158 1.00 1.22 H new ATOM 0 HG23 VAL A 58 -0.705 3.313 -4.568 1.00 1.22 H new ATOM 864 N ALA A 59 -1.486 -0.513 -7.903 1.00 0.34 N ATOM 865 CA ALA A 59 -1.289 -1.839 -8.466 1.00 0.36 C ATOM 866 C ALA A 59 -0.308 -1.758 -9.622 1.00 0.37 C ATOM 867 O ALA A 59 -0.658 -1.353 -10.730 1.00 0.43 O ATOM 868 CB ALA A 59 -2.617 -2.432 -8.919 1.00 0.44 C ATOM 0 H ALA A 59 -2.313 -0.028 -8.251 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.877 -2.496 -7.700 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -2.449 -3.424 -9.337 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -3.292 -2.507 -8.066 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -3.062 -1.789 -9.678 1.00 0.44 H new ATOM 874 N LEU A 60 0.932 -2.119 -9.339 1.00 0.37 N ATOM 875 CA LEU A 60 1.994 -2.069 -10.329 1.00 0.45 C ATOM 876 C LEU A 60 2.311 -3.454 -10.872 1.00 0.39 C ATOM 877 O LEU A 60 2.290 -4.440 -10.137 1.00 0.38 O ATOM 878 CB LEU A 60 3.235 -1.427 -9.690 1.00 0.56 C ATOM 879 CG LEU A 60 4.577 -1.722 -10.362 1.00 0.48 C ATOM 880 CD1 LEU A 60 5.583 -0.636 -10.027 1.00 0.44 C ATOM 881 CD2 LEU A 60 5.116 -3.068 -9.909 1.00 0.98 C ATOM 0 H LEU A 60 1.230 -2.453 -8.422 1.00 0.37 H new ATOM 0 HA LEU A 60 1.668 -1.466 -11.176 1.00 0.45 H new ATOM 0 HB2 LEU A 60 3.091 -0.347 -9.675 1.00 0.56 H new ATOM 0 HB3 LEU A 60 3.293 -1.755 -8.652 1.00 0.56 H new ATOM 0 HG LEU A 60 4.419 -1.747 -11.440 1.00 0.48 H new ATOM 0 HD11 LEU A 60 6.534 -0.859 -10.512 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.212 0.326 -10.381 1.00 0.44 H new ATOM 0 HD13 LEU A 60 5.727 -0.594 -8.947 1.00 0.44 H new ATOM 0 HD21 LEU A 60 6.071 -3.261 -10.398 1.00 0.98 H new ATOM 0 HD22 LEU A 60 5.257 -3.059 -8.828 1.00 0.98 H new ATOM 0 HD23 LEU A 60 4.407 -3.852 -10.176 1.00 0.98 H new ATOM 893 N GLU A 61 2.630 -3.521 -12.163 1.00 0.39 N ATOM 894 CA GLU A 61 2.976 -4.790 -12.784 1.00 0.38 C ATOM 895 C GLU A 61 4.394 -5.168 -12.382 1.00 0.36 C ATOM 896 O GLU A 61 5.371 -4.614 -12.889 1.00 0.38 O ATOM 897 CB GLU A 61 2.843 -4.711 -14.310 1.00 0.44 C ATOM 898 CG GLU A 61 3.651 -3.592 -14.948 1.00 1.08 C ATOM 899 CD GLU A 61 3.510 -3.556 -16.458 1.00 1.06 C ATOM 900 OE1 GLU A 61 3.864 -4.560 -17.110 1.00 1.39 O ATOM 901 OE2 GLU A 61 3.046 -2.524 -16.987 1.00 1.24 O ATOM 0 H GLU A 61 2.655 -2.718 -12.791 1.00 0.39 H new ATOM 0 HA GLU A 61 2.285 -5.559 -12.438 1.00 0.38 H new ATOM 0 HB2 GLU A 61 3.157 -5.662 -14.741 1.00 0.44 H new ATOM 0 HB3 GLU A 61 1.792 -4.577 -14.566 1.00 0.44 H new ATOM 0 HG2 GLU A 61 3.330 -2.636 -14.534 1.00 1.08 H new ATOM 0 HG3 GLU A 61 4.702 -3.715 -14.688 1.00 1.08 H new ATOM 908 N THR A 62 4.496 -6.087 -11.431 1.00 0.39 N ATOM 909 CA THR A 62 5.779 -6.515 -10.922 1.00 0.43 C ATOM 910 C THR A 62 6.382 -7.623 -11.769 1.00 0.39 C ATOM 911 O THR A 62 5.679 -8.413 -12.398 1.00 0.43 O ATOM 912 CB THR A 62 5.636 -7.005 -9.478 1.00 0.54 C ATOM 913 OG1 THR A 62 4.879 -8.200 -9.429 1.00 1.47 O ATOM 914 CG2 THR A 62 4.963 -6.004 -8.562 1.00 1.02 C ATOM 0 H THR A 62 3.696 -6.549 -10.998 1.00 0.39 H new ATOM 0 HA THR A 62 6.447 -5.654 -10.960 1.00 0.43 H new ATOM 0 HB THR A 62 6.656 -7.162 -9.128 1.00 0.54 H new ATOM 0 HG1 THR A 62 4.650 -8.404 -8.498 1.00 1.47 H new ATOM 0 HG21 THR A 62 4.896 -6.419 -7.556 1.00 1.02 H new ATOM 0 HG22 THR A 62 5.547 -5.084 -8.537 1.00 1.02 H new ATOM 0 HG23 THR A 62 3.961 -5.788 -8.933 1.00 1.02 H new ATOM 922 N SER A 63 7.698 -7.678 -11.731 1.00 0.40 N ATOM 923 CA SER A 63 8.474 -8.687 -12.435 1.00 0.44 C ATOM 924 C SER A 63 9.543 -9.150 -11.472 1.00 0.44 C ATOM 925 O SER A 63 10.445 -9.920 -11.804 1.00 0.64 O ATOM 926 CB SER A 63 9.101 -8.112 -13.705 1.00 0.56 C ATOM 927 OG SER A 63 9.867 -9.092 -14.384 1.00 1.23 O ATOM 0 H SER A 63 8.269 -7.016 -11.205 1.00 0.40 H new ATOM 0 HA SER A 63 7.840 -9.516 -12.750 1.00 0.44 H new ATOM 0 HB2 SER A 63 8.318 -7.738 -14.364 1.00 0.56 H new ATOM 0 HB3 SER A 63 9.735 -7.263 -13.449 1.00 0.56 H new ATOM 0 HG SER A 63 10.251 -9.716 -13.733 1.00 1.23 H new ATOM 933 N LEU A 64 9.399 -8.628 -10.265 1.00 0.39 N ATOM 934 CA LEU A 64 10.285 -8.892 -9.157 1.00 0.38 C ATOM 935 C LEU A 64 9.462 -8.995 -7.883 1.00 0.35 C ATOM 936 O LEU A 64 9.100 -7.983 -7.285 1.00 0.39 O ATOM 937 CB LEU A 64 11.304 -7.760 -9.068 1.00 0.42 C ATOM 938 CG LEU A 64 10.717 -6.362 -9.272 1.00 0.50 C ATOM 939 CD1 LEU A 64 10.743 -5.584 -7.971 1.00 0.78 C ATOM 940 CD2 LEU A 64 11.478 -5.622 -10.359 1.00 0.84 C ATOM 0 H LEU A 64 8.638 -7.991 -10.028 1.00 0.39 H new ATOM 0 HA LEU A 64 10.819 -9.832 -9.298 1.00 0.38 H new ATOM 0 HB2 LEU A 64 11.787 -7.799 -8.092 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.080 -7.927 -9.815 1.00 0.42 H new ATOM 0 HG LEU A 64 9.679 -6.461 -9.590 1.00 0.50 H new ATOM 0 HD11 LEU A 64 10.322 -4.591 -8.132 1.00 0.78 H new ATOM 0 HD12 LEU A 64 10.154 -6.111 -7.220 1.00 0.78 H new ATOM 0 HD13 LEU A 64 11.772 -5.490 -7.624 1.00 0.78 H new ATOM 0 HD21 LEU A 64 11.048 -4.629 -10.492 1.00 0.84 H new ATOM 0 HD22 LEU A 64 12.525 -5.529 -10.071 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.407 -6.177 -11.295 1.00 0.84 H new ATOM 952 N ALA A 65 9.145 -10.231 -7.504 1.00 0.38 N ATOM 953 CA ALA A 65 8.333 -10.507 -6.322 1.00 0.42 C ATOM 954 C ALA A 65 8.546 -9.462 -5.232 1.00 0.39 C ATOM 955 O ALA A 65 9.673 -9.027 -5.001 1.00 0.38 O ATOM 956 CB ALA A 65 8.644 -11.897 -5.790 1.00 0.52 C ATOM 0 H ALA A 65 9.443 -11.067 -8.006 1.00 0.38 H new ATOM 0 HA ALA A 65 7.285 -10.461 -6.619 1.00 0.42 H new ATOM 0 HB1 ALA A 65 8.034 -12.094 -4.909 1.00 0.52 H new ATOM 0 HB2 ALA A 65 8.423 -12.638 -6.558 1.00 0.52 H new ATOM 0 HB3 ALA A 65 9.699 -11.956 -5.522 1.00 0.52 H new ATOM 962 N PRO A 66 7.456 -9.041 -4.551 1.00 0.44 N ATOM 963 CA PRO A 66 7.510 -8.043 -3.481 1.00 0.47 C ATOM 964 C PRO A 66 8.720 -8.184 -2.580 1.00 0.45 C ATOM 965 O PRO A 66 9.094 -7.246 -1.902 1.00 0.49 O ATOM 966 CB PRO A 66 6.241 -8.329 -2.702 1.00 0.55 C ATOM 967 CG PRO A 66 5.277 -8.721 -3.752 1.00 0.57 C ATOM 968 CD PRO A 66 6.070 -9.494 -4.779 1.00 0.50 C ATOM 0 HA PRO A 66 7.589 -7.031 -3.878 1.00 0.47 H new ATOM 0 HB2 PRO A 66 6.388 -9.126 -1.973 1.00 0.55 H new ATOM 0 HB3 PRO A 66 5.901 -7.452 -2.151 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.476 -9.332 -3.337 1.00 0.57 H new ATOM 0 HG3 PRO A 66 4.810 -7.844 -4.200 1.00 0.57 H new ATOM 0 HD2 PRO A 66 5.970 -10.570 -4.637 1.00 0.50 H new ATOM 0 HD3 PRO A 66 5.737 -9.274 -5.793 1.00 0.50 H new ATOM 976 N GLU A 67 9.352 -9.339 -2.587 1.00 0.45 N ATOM 977 CA GLU A 67 10.534 -9.523 -1.777 1.00 0.49 C ATOM 978 C GLU A 67 11.544 -8.466 -2.199 1.00 0.44 C ATOM 979 O GLU A 67 12.028 -7.670 -1.390 1.00 0.47 O ATOM 980 CB GLU A 67 11.090 -10.929 -1.984 1.00 0.52 C ATOM 981 CG GLU A 67 10.032 -12.010 -1.806 1.00 0.71 C ATOM 982 CD GLU A 67 10.539 -13.394 -2.166 1.00 0.77 C ATOM 983 OE1 GLU A 67 11.721 -13.513 -2.553 1.00 1.20 O ATOM 984 OE2 GLU A 67 9.753 -14.358 -2.062 1.00 1.06 O ATOM 0 H GLU A 67 9.072 -10.152 -3.136 1.00 0.45 H new ATOM 0 HA GLU A 67 10.305 -9.415 -0.717 1.00 0.49 H new ATOM 0 HB2 GLU A 67 11.515 -11.004 -2.985 1.00 0.52 H new ATOM 0 HB3 GLU A 67 11.903 -11.102 -1.278 1.00 0.52 H new ATOM 0 HG2 GLU A 67 9.691 -12.011 -0.771 1.00 0.71 H new ATOM 0 HG3 GLU A 67 9.168 -11.772 -2.426 1.00 0.71 H new ATOM 991 N GLU A 68 11.798 -8.446 -3.500 1.00 0.40 N ATOM 992 CA GLU A 68 12.696 -7.485 -4.112 1.00 0.39 C ATOM 993 C GLU A 68 12.048 -6.101 -4.149 1.00 0.35 C ATOM 994 O GLU A 68 12.624 -5.120 -3.676 1.00 0.40 O ATOM 995 CB GLU A 68 13.016 -7.940 -5.534 1.00 0.41 C ATOM 996 CG GLU A 68 13.648 -9.319 -5.604 1.00 0.97 C ATOM 997 CD GLU A 68 14.952 -9.403 -4.833 1.00 1.52 C ATOM 998 OE1 GLU A 68 15.889 -8.649 -5.167 1.00 1.90 O ATOM 999 OE2 GLU A 68 15.035 -10.224 -3.894 1.00 2.06 O ATOM 0 H GLU A 68 11.383 -9.101 -4.162 1.00 0.40 H new ATOM 0 HA GLU A 68 13.613 -7.424 -3.525 1.00 0.39 H new ATOM 0 HB2 GLU A 68 12.098 -7.940 -6.122 1.00 0.41 H new ATOM 0 HB3 GLU A 68 13.689 -7.217 -5.995 1.00 0.41 H new ATOM 0 HG2 GLU A 68 12.948 -10.056 -5.209 1.00 0.97 H new ATOM 0 HG3 GLU A 68 13.829 -9.579 -6.647 1.00 0.97 H new ATOM 1006 N LEU A 69 10.842 -6.042 -4.713 1.00 0.32 N ATOM 1007 CA LEU A 69 10.087 -4.795 -4.822 1.00 0.33 C ATOM 1008 C LEU A 69 10.029 -4.065 -3.483 1.00 0.34 C ATOM 1009 O LEU A 69 10.424 -2.904 -3.382 1.00 0.44 O ATOM 1010 CB LEU A 69 8.672 -5.097 -5.337 1.00 0.38 C ATOM 1011 CG LEU A 69 7.558 -4.175 -4.813 1.00 0.44 C ATOM 1012 CD1 LEU A 69 7.598 -2.837 -5.530 1.00 0.66 C ATOM 1013 CD2 LEU A 69 6.187 -4.835 -4.963 1.00 0.67 C ATOM 0 H LEU A 69 10.363 -6.853 -5.105 1.00 0.32 H new ATOM 0 HA LEU A 69 10.595 -4.140 -5.529 1.00 0.33 H new ATOM 0 HB2 LEU A 69 8.682 -5.041 -6.425 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.421 -6.124 -5.073 1.00 0.38 H new ATOM 0 HG LEU A 69 7.728 -4.000 -3.751 1.00 0.44 H new ATOM 0 HD11 LEU A 69 6.804 -2.196 -5.148 1.00 0.66 H new ATOM 0 HD12 LEU A 69 8.563 -2.361 -5.358 1.00 0.66 H new ATOM 0 HD13 LEU A 69 7.456 -2.993 -6.599 1.00 0.66 H new ATOM 0 HD21 LEU A 69 5.416 -4.163 -4.585 1.00 0.67 H new ATOM 0 HD22 LEU A 69 5.999 -5.048 -6.015 1.00 0.67 H new ATOM 0 HD23 LEU A 69 6.167 -5.765 -4.395 1.00 0.67 H new ATOM 1025 N LEU A 70 9.532 -4.758 -2.465 1.00 0.39 N ATOM 1026 CA LEU A 70 9.417 -4.199 -1.124 1.00 0.47 C ATOM 1027 C LEU A 70 10.699 -3.477 -0.740 1.00 0.44 C ATOM 1028 O LEU A 70 10.665 -2.328 -0.308 1.00 0.47 O ATOM 1029 CB LEU A 70 9.136 -5.313 -0.112 1.00 0.62 C ATOM 1030 CG LEU A 70 8.629 -4.863 1.254 1.00 0.99 C ATOM 1031 CD1 LEU A 70 7.160 -4.488 1.168 1.00 1.48 C ATOM 1032 CD2 LEU A 70 8.839 -5.959 2.286 1.00 1.65 C ATOM 0 H LEU A 70 9.199 -5.719 -2.545 1.00 0.39 H new ATOM 0 HA LEU A 70 8.591 -3.487 -1.117 1.00 0.47 H new ATOM 0 HB2 LEU A 70 8.402 -5.993 -0.544 1.00 0.62 H new ATOM 0 HB3 LEU A 70 10.053 -5.885 0.033 1.00 0.62 H new ATOM 0 HG LEU A 70 9.196 -3.986 1.566 1.00 0.99 H new ATOM 0 HD11 LEU A 70 6.808 -4.168 2.149 1.00 1.48 H new ATOM 0 HD12 LEU A 70 7.033 -3.674 0.454 1.00 1.48 H new ATOM 0 HD13 LEU A 70 6.583 -5.352 0.839 1.00 1.48 H new ATOM 0 HD21 LEU A 70 8.472 -5.621 3.255 1.00 1.65 H new ATOM 0 HD22 LEU A 70 8.294 -6.853 1.983 1.00 1.65 H new ATOM 0 HD23 LEU A 70 9.902 -6.189 2.361 1.00 1.65 H new ATOM 1044 N ASN A 71 11.829 -4.166 -0.902 1.00 0.46 N ATOM 1045 CA ASN A 71 13.128 -3.588 -0.564 1.00 0.50 C ATOM 1046 C ASN A 71 13.348 -2.220 -1.218 1.00 0.41 C ATOM 1047 O ASN A 71 13.855 -1.308 -0.572 1.00 0.44 O ATOM 1048 CB ASN A 71 14.264 -4.534 -0.959 1.00 0.59 C ATOM 1049 CG ASN A 71 14.323 -5.772 -0.084 1.00 0.79 C ATOM 1050 OD1 ASN A 71 14.373 -6.938 -0.712 1.00 1.59 O flip ATOM 1051 ND2 ASN A 71 14.340 -5.677 1.144 1.00 0.72 N flip ATOM 0 H ASN A 71 11.871 -5.119 -1.263 1.00 0.46 H new ATOM 0 HA ASN A 71 13.131 -3.445 0.517 1.00 0.50 H new ATOM 0 HB2 ASN A 71 14.137 -4.834 -1.999 1.00 0.59 H new ATOM 0 HB3 ASN A 71 15.213 -4.003 -0.895 1.00 0.59 H new ATOM 0 HD21 ASN A 71 14.300 -4.758 1.585 1.00 0.72 H new ATOM 0 HD22 ASN A 71 14.394 -6.517 1.720 1.00 0.72 H new ATOM 1058 N HIS A 72 12.989 -2.084 -2.497 1.00 0.37 N ATOM 1059 CA HIS A 72 13.186 -0.822 -3.212 1.00 0.35 C ATOM 1060 C HIS A 72 12.256 0.276 -2.713 1.00 0.32 C ATOM 1061 O HIS A 72 12.707 1.375 -2.391 1.00 0.35 O ATOM 1062 CB HIS A 72 13.001 -1.024 -4.715 1.00 0.39 C ATOM 1063 CG HIS A 72 14.106 -1.815 -5.346 1.00 0.57 C ATOM 1064 ND1 HIS A 72 15.400 -1.350 -5.455 1.00 1.07 N ATOM 1065 CD2 HIS A 72 14.108 -3.055 -5.892 1.00 0.61 C ATOM 1066 CE1 HIS A 72 16.149 -2.268 -6.042 1.00 1.40 C ATOM 1067 NE2 HIS A 72 15.388 -3.310 -6.316 1.00 1.11 N ATOM 0 H HIS A 72 12.564 -2.825 -3.054 1.00 0.37 H new ATOM 0 HA HIS A 72 14.208 -0.499 -3.014 1.00 0.35 H new ATOM 0 HB2 HIS A 72 12.053 -1.531 -4.893 1.00 0.39 H new ATOM 0 HB3 HIS A 72 12.937 -0.050 -5.201 1.00 0.39 H new ATOM 0 HD2 HIS A 72 13.260 -3.719 -5.978 1.00 0.61 H new ATOM 0 HE1 HIS A 72 17.203 -2.180 -6.260 1.00 1.40 H new ATOM 0 HE2 HIS A 72 15.701 -4.168 -6.770 1.00 1.11 H new ATOM 1076 N THR A 73 10.963 -0.010 -2.647 1.00 0.34 N ATOM 1077 CA THR A 73 10.005 0.980 -2.174 1.00 0.38 C ATOM 1078 C THR A 73 10.421 1.491 -0.794 1.00 0.36 C ATOM 1079 O THR A 73 10.478 2.699 -0.544 1.00 0.36 O ATOM 1080 CB THR A 73 8.603 0.374 -2.131 1.00 0.47 C ATOM 1081 OG1 THR A 73 8.591 -0.803 -1.344 1.00 0.77 O ATOM 1082 CG2 THR A 73 8.062 0.018 -3.500 1.00 0.61 C ATOM 0 H THR A 73 10.557 -0.908 -2.911 1.00 0.34 H new ATOM 0 HA THR A 73 9.991 1.824 -2.863 1.00 0.38 H new ATOM 0 HB THR A 73 7.967 1.146 -1.697 1.00 0.47 H new ATOM 0 HG1 THR A 73 7.902 -1.414 -1.680 1.00 0.77 H new ATOM 0 HG21 THR A 73 7.064 -0.407 -3.397 1.00 0.61 H new ATOM 0 HG22 THR A 73 8.013 0.916 -4.116 1.00 0.61 H new ATOM 0 HG23 THR A 73 8.720 -0.711 -3.973 1.00 0.61 H new ATOM 1090 N GLN A 74 10.736 0.552 0.089 1.00 0.39 N ATOM 1091 CA GLN A 74 11.173 0.868 1.439 1.00 0.42 C ATOM 1092 C GLN A 74 12.605 1.389 1.426 1.00 0.41 C ATOM 1093 O GLN A 74 13.078 1.949 2.412 1.00 0.50 O ATOM 1094 CB GLN A 74 11.088 -0.370 2.334 1.00 0.49 C ATOM 1095 CG GLN A 74 12.155 -1.415 2.041 1.00 1.45 C ATOM 1096 CD GLN A 74 12.060 -2.620 2.958 1.00 1.87 C ATOM 1097 OE1 GLN A 74 11.045 -3.316 2.983 1.00 2.25 O ATOM 1098 NE2 GLN A 74 13.120 -2.870 3.717 1.00 2.54 N ATOM 0 H GLN A 74 10.695 -0.447 -0.112 1.00 0.39 H new ATOM 0 HA GLN A 74 10.515 1.640 1.836 1.00 0.42 H new ATOM 0 HB2 GLN A 74 11.173 -0.060 3.376 1.00 0.49 H new ATOM 0 HB3 GLN A 74 10.105 -0.825 2.216 1.00 0.49 H new ATOM 0 HG2 GLN A 74 12.062 -1.743 1.006 1.00 1.45 H new ATOM 0 HG3 GLN A 74 13.141 -0.961 2.145 1.00 1.45 H new ATOM 0 HE21 GLN A 74 13.940 -2.266 3.663 1.00 2.54 H new ATOM 0 HE22 GLN A 74 13.115 -3.666 4.354 1.00 2.54 H new ATOM 1107 N ARG A 75 13.286 1.200 0.299 1.00 0.37 N ATOM 1108 CA ARG A 75 14.665 1.654 0.158 1.00 0.41 C ATOM 1109 C ARG A 75 14.702 3.169 0.157 1.00 0.39 C ATOM 1110 O ARG A 75 15.526 3.789 0.830 1.00 0.43 O ATOM 1111 CB ARG A 75 15.281 1.119 -1.138 1.00 0.48 C ATOM 1112 CG ARG A 75 16.782 1.332 -1.242 1.00 0.89 C ATOM 1113 CD ARG A 75 17.315 0.866 -2.589 1.00 0.88 C ATOM 1114 NE ARG A 75 18.774 0.900 -2.639 1.00 1.59 N ATOM 1115 CZ ARG A 75 19.485 0.569 -3.714 1.00 2.26 C ATOM 1116 NH1 ARG A 75 18.873 0.194 -4.829 1.00 2.72 N ATOM 1117 NH2 ARG A 75 20.810 0.615 -3.673 1.00 3.06 N ATOM 0 H ARG A 75 12.906 0.737 -0.527 1.00 0.37 H new ATOM 0 HA ARG A 75 15.246 1.274 0.998 1.00 0.41 H new ATOM 0 HB2 ARG A 75 15.069 0.053 -1.216 1.00 0.48 H new ATOM 0 HB3 ARG A 75 14.796 1.603 -1.986 1.00 0.48 H new ATOM 0 HG2 ARG A 75 17.012 2.388 -1.103 1.00 0.89 H new ATOM 0 HG3 ARG A 75 17.285 0.789 -0.442 1.00 0.89 H new ATOM 0 HD2 ARG A 75 16.969 -0.149 -2.785 1.00 0.88 H new ATOM 0 HD3 ARG A 75 16.910 1.499 -3.378 1.00 0.88 H new ATOM 0 HE ARG A 75 19.277 1.194 -1.802 1.00 1.59 H new ATOM 0 HH11 ARG A 75 17.854 0.159 -4.864 1.00 2.72 H new ATOM 0 HH12 ARG A 75 19.421 -0.059 -5.651 1.00 2.72 H new ATOM 0 HH21 ARG A 75 21.284 0.904 -2.817 1.00 3.06 H new ATOM 0 HH22 ARG A 75 21.355 0.361 -4.497 1.00 3.06 H new ATOM 1131 N ILE A 76 13.785 3.759 -0.598 1.00 0.38 N ATOM 1132 CA ILE A 76 13.691 5.200 -0.685 1.00 0.41 C ATOM 1133 C ILE A 76 13.265 5.783 0.651 1.00 0.42 C ATOM 1134 O ILE A 76 13.922 6.682 1.167 1.00 0.44 O ATOM 1135 CB ILE A 76 12.707 5.641 -1.784 1.00 0.45 C ATOM 1136 CG1 ILE A 76 13.152 5.089 -3.140 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.604 7.159 -1.829 1.00 0.50 C ATOM 1138 CD1 ILE A 76 14.515 5.580 -3.588 1.00 0.83 C ATOM 0 H ILE A 76 13.097 3.256 -1.158 1.00 0.38 H new ATOM 0 HA ILE A 76 14.680 5.577 -0.947 1.00 0.41 H new ATOM 0 HB ILE A 76 11.720 5.240 -1.553 1.00 0.45 H new ATOM 0 HG12 ILE A 76 13.168 4.000 -3.090 1.00 0.55 H new ATOM 0 HG13 ILE A 76 12.413 5.363 -3.893 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.904 7.453 -2.611 1.00 0.50 H new ATOM 0 HG22 ILE A 76 12.249 7.528 -0.867 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.585 7.584 -2.041 1.00 0.50 H new ATOM 0 HD11 ILE A 76 14.758 5.144 -4.557 1.00 0.83 H new ATOM 0 HD12 ILE A 76 14.501 6.667 -3.672 1.00 0.83 H new ATOM 0 HD13 ILE A 76 15.267 5.283 -2.857 1.00 0.83 H new ATOM 1150 N GLU A 77 12.176 5.262 1.223 1.00 0.44 N ATOM 1151 CA GLU A 77 11.710 5.757 2.516 1.00 0.47 C ATOM 1152 C GLU A 77 12.767 5.512 3.585 1.00 0.48 C ATOM 1153 O GLU A 77 12.813 6.210 4.597 1.00 0.54 O ATOM 1154 CB GLU A 77 10.366 5.126 2.916 1.00 0.50 C ATOM 1155 CG GLU A 77 10.374 3.612 3.031 1.00 0.66 C ATOM 1156 CD GLU A 77 11.024 3.111 4.307 1.00 0.97 C ATOM 1157 OE1 GLU A 77 11.303 3.942 5.196 1.00 1.43 O ATOM 1158 OE2 GLU A 77 11.277 1.893 4.406 1.00 1.32 O ATOM 0 H GLU A 77 11.612 4.514 0.820 1.00 0.44 H new ATOM 0 HA GLU A 77 11.546 6.831 2.425 1.00 0.47 H new ATOM 0 HB2 GLU A 77 10.056 5.546 3.873 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.614 5.415 2.182 1.00 0.50 H new ATOM 0 HG2 GLU A 77 9.348 3.246 2.986 1.00 0.66 H new ATOM 0 HG3 GLU A 77 10.901 3.192 2.174 1.00 0.66 H new ATOM 1165 N LEU A 78 13.633 4.531 3.344 1.00 0.45 N ATOM 1166 CA LEU A 78 14.707 4.223 4.280 1.00 0.49 C ATOM 1167 C LEU A 78 15.641 5.421 4.358 1.00 0.49 C ATOM 1168 O LEU A 78 16.164 5.756 5.422 1.00 0.59 O ATOM 1169 CB LEU A 78 15.466 2.967 3.829 1.00 0.53 C ATOM 1170 CG LEU A 78 16.425 2.354 4.859 1.00 0.88 C ATOM 1171 CD1 LEU A 78 16.816 0.945 4.440 1.00 1.66 C ATOM 1172 CD2 LEU A 78 17.670 3.212 5.027 1.00 1.52 C ATOM 0 H LEU A 78 13.611 3.940 2.513 1.00 0.45 H new ATOM 0 HA LEU A 78 14.292 4.021 5.268 1.00 0.49 H new ATOM 0 HB2 LEU A 78 14.737 2.208 3.545 1.00 0.53 H new ATOM 0 HB3 LEU A 78 16.036 3.213 2.933 1.00 0.53 H new ATOM 0 HG LEU A 78 15.908 2.312 5.818 1.00 0.88 H new ATOM 0 HD11 LEU A 78 17.496 0.521 5.179 1.00 1.66 H new ATOM 0 HD12 LEU A 78 15.922 0.325 4.372 1.00 1.66 H new ATOM 0 HD13 LEU A 78 17.310 0.978 3.469 1.00 1.66 H new ATOM 0 HD21 LEU A 78 18.331 2.754 5.762 1.00 1.52 H new ATOM 0 HD22 LEU A 78 18.189 3.291 4.072 1.00 1.52 H new ATOM 0 HD23 LEU A 78 17.383 4.207 5.367 1.00 1.52 H new ATOM 1184 N GLN A 79 15.822 6.074 3.217 1.00 0.47 N ATOM 1185 CA GLN A 79 16.665 7.255 3.129 1.00 0.52 C ATOM 1186 C GLN A 79 15.805 8.502 2.943 1.00 0.53 C ATOM 1187 O GLN A 79 16.321 9.600 2.738 1.00 0.72 O ATOM 1188 CB GLN A 79 17.651 7.119 1.967 1.00 0.63 C ATOM 1189 CG GLN A 79 18.527 5.880 2.057 1.00 1.12 C ATOM 1190 CD GLN A 79 19.552 5.812 0.943 1.00 1.67 C ATOM 1191 OE1 GLN A 79 20.388 6.704 0.797 1.00 2.24 O ATOM 1192 NE2 GLN A 79 19.494 4.749 0.150 1.00 2.32 N ATOM 0 H GLN A 79 15.391 5.801 2.334 1.00 0.47 H new ATOM 0 HA GLN A 79 17.229 7.350 4.057 1.00 0.52 H new ATOM 0 HB2 GLN A 79 17.095 7.094 1.030 1.00 0.63 H new ATOM 0 HB3 GLN A 79 18.288 8.003 1.936 1.00 0.63 H new ATOM 0 HG2 GLN A 79 19.039 5.870 3.019 1.00 1.12 H new ATOM 0 HG3 GLN A 79 17.898 4.991 2.022 1.00 1.12 H new ATOM 0 HE21 GLN A 79 18.784 4.033 0.307 1.00 2.32 H new ATOM 0 HE22 GLN A 79 20.159 4.648 -0.617 1.00 2.32 H new ATOM 1201 N GLN A 80 14.488 8.316 3.017 1.00 0.61 N ATOM 1202 CA GLN A 80 13.547 9.420 2.857 1.00 0.72 C ATOM 1203 C GLN A 80 12.758 9.655 4.144 1.00 0.88 C ATOM 1204 O GLN A 80 12.894 10.699 4.781 1.00 1.15 O ATOM 1205 CB GLN A 80 12.582 9.150 1.693 1.00 0.74 C ATOM 1206 CG GLN A 80 11.643 10.311 1.413 1.00 1.27 C ATOM 1207 CD GLN A 80 12.384 11.583 1.050 1.00 1.51 C ATOM 1208 OE1 GLN A 80 13.125 11.624 0.067 1.00 2.00 O ATOM 1209 NE2 GLN A 80 12.190 12.629 1.843 1.00 2.07 N ATOM 0 H GLN A 80 14.050 7.411 3.187 1.00 0.61 H new ATOM 0 HA GLN A 80 14.123 10.318 2.633 1.00 0.72 H new ATOM 0 HB2 GLN A 80 13.159 8.933 0.794 1.00 0.74 H new ATOM 0 HB3 GLN A 80 11.993 8.260 1.917 1.00 0.74 H new ATOM 0 HG2 GLN A 80 10.970 10.042 0.599 1.00 1.27 H new ATOM 0 HG3 GLN A 80 11.024 10.493 2.291 1.00 1.27 H new ATOM 0 HE21 GLN A 80 11.567 12.551 2.647 1.00 2.07 H new ATOM 0 HE22 GLN A 80 12.664 13.511 1.649 1.00 2.07 H new ATOM 1218 N GLY A 81 11.929 8.681 4.521 1.00 0.99 N ATOM 1219 CA GLY A 81 11.131 8.814 5.726 1.00 1.25 C ATOM 1220 C GLY A 81 11.698 8.045 6.910 1.00 1.79 C ATOM 1221 O GLY A 81 10.943 7.527 7.731 1.00 2.18 O ATOM 0 H GLY A 81 11.798 7.806 4.014 1.00 0.99 H new ATOM 0 HA2 GLY A 81 11.056 9.869 5.989 1.00 1.25 H new ATOM 0 HA3 GLY A 81 10.119 8.463 5.524 1.00 1.25 H new ATOM 1225 N ARG A 82 13.024 7.978 7.007 1.00 2.09 N ATOM 1226 CA ARG A 82 13.673 7.274 8.111 1.00 2.89 C ATOM 1227 C ARG A 82 14.894 8.041 8.621 1.00 2.71 C ATOM 1228 O ARG A 82 14.882 9.270 8.678 1.00 3.22 O ATOM 1229 CB ARG A 82 14.068 5.854 7.698 1.00 3.76 C ATOM 1230 CG ARG A 82 12.888 4.900 7.592 1.00 4.75 C ATOM 1231 CD ARG A 82 13.352 3.464 7.398 1.00 5.59 C ATOM 1232 NE ARG A 82 12.234 2.528 7.300 1.00 6.37 N ATOM 1233 CZ ARG A 82 11.369 2.298 8.287 1.00 7.14 C ATOM 1234 NH1 ARG A 82 11.498 2.918 9.452 1.00 7.29 N ATOM 1235 NH2 ARG A 82 10.375 1.437 8.108 1.00 8.02 N ATOM 0 H ARG A 82 13.668 8.400 6.338 1.00 2.09 H new ATOM 0 HA ARG A 82 12.952 7.209 8.926 1.00 2.89 H new ATOM 0 HB2 ARG A 82 14.580 5.893 6.737 1.00 3.76 H new ATOM 0 HB3 ARG A 82 14.780 5.459 8.422 1.00 3.76 H new ATOM 0 HG2 ARG A 82 12.280 4.969 8.494 1.00 4.75 H new ATOM 0 HG3 ARG A 82 12.253 5.195 6.756 1.00 4.75 H new ATOM 0 HD2 ARG A 82 13.957 3.399 6.494 1.00 5.59 H new ATOM 0 HD3 ARG A 82 13.992 3.176 8.232 1.00 5.59 H new ATOM 0 HE ARG A 82 12.108 2.021 6.424 1.00 6.37 H new ATOM 0 HH11 ARG A 82 12.263 3.576 9.597 1.00 7.29 H new ATOM 0 HH12 ARG A 82 10.832 2.737 10.203 1.00 7.29 H new ATOM 0 HH21 ARG A 82 10.274 0.953 7.216 1.00 8.02 H new ATOM 0 HH22 ARG A 82 9.712 1.260 8.862 1.00 8.02 H new ATOM 1249 N VAL A 83 15.938 7.308 9.008 1.00 2.65 N ATOM 1250 CA VAL A 83 17.159 7.914 9.532 1.00 2.95 C ATOM 1251 C VAL A 83 17.866 8.770 8.482 1.00 2.78 C ATOM 1252 O VAL A 83 18.823 8.325 7.844 1.00 3.48 O ATOM 1253 CB VAL A 83 18.137 6.841 10.052 1.00 3.70 C ATOM 1254 CG1 VAL A 83 19.354 7.487 10.696 1.00 4.50 C ATOM 1255 CG2 VAL A 83 17.436 5.912 11.031 1.00 4.33 C ATOM 0 H VAL A 83 15.961 6.289 8.968 1.00 2.65 H new ATOM 0 HA VAL A 83 16.855 8.556 10.359 1.00 2.95 H new ATOM 0 HB VAL A 83 18.480 6.249 9.204 1.00 3.70 H new ATOM 0 HG11 VAL A 83 20.030 6.711 11.056 1.00 4.50 H new ATOM 0 HG12 VAL A 83 19.869 8.105 9.961 1.00 4.50 H new ATOM 0 HG13 VAL A 83 19.036 8.108 11.534 1.00 4.50 H new ATOM 0 HG21 VAL A 83 18.141 5.161 11.388 1.00 4.33 H new ATOM 0 HG22 VAL A 83 17.062 6.490 11.876 1.00 4.33 H new ATOM 0 HG23 VAL A 83 16.602 5.419 10.531 1.00 4.33 H new ATOM 1265 N ARG A 84 17.397 10.005 8.325 1.00 2.54 N ATOM 1266 CA ARG A 84 17.980 10.947 7.373 1.00 3.37 C ATOM 1267 C ARG A 84 17.644 12.379 7.767 1.00 3.75 C ATOM 1268 O ARG A 84 17.377 13.225 6.910 1.00 4.35 O ATOM 1269 CB ARG A 84 17.486 10.669 5.947 1.00 3.92 C ATOM 1270 CG ARG A 84 18.159 9.478 5.281 1.00 4.19 C ATOM 1271 CD ARG A 84 19.659 9.691 5.134 1.00 5.23 C ATOM 1272 NE ARG A 84 19.975 10.848 4.297 1.00 5.75 N ATOM 1273 CZ ARG A 84 19.692 10.922 2.998 1.00 6.40 C ATOM 1274 NH1 ARG A 84 19.105 9.907 2.381 1.00 6.67 N ATOM 1275 NH2 ARG A 84 20.003 12.016 2.312 1.00 7.08 N ATOM 0 H ARG A 84 16.607 10.380 8.850 1.00 2.54 H new ATOM 0 HA ARG A 84 19.062 10.816 7.395 1.00 3.37 H new ATOM 0 HB2 ARG A 84 16.410 10.498 5.973 1.00 3.92 H new ATOM 0 HB3 ARG A 84 17.653 11.556 5.336 1.00 3.92 H new ATOM 0 HG2 ARG A 84 17.975 8.579 5.870 1.00 4.19 H new ATOM 0 HG3 ARG A 84 17.717 9.312 4.299 1.00 4.19 H new ATOM 0 HD2 ARG A 84 20.103 9.826 6.120 1.00 5.23 H new ATOM 0 HD3 ARG A 84 20.110 8.798 4.701 1.00 5.23 H new ATOM 0 HE ARG A 84 20.439 11.644 4.734 1.00 5.75 H new ATOM 0 HH11 ARG A 84 18.867 9.063 2.901 1.00 6.67 H new ATOM 0 HH12 ARG A 84 18.891 9.970 1.386 1.00 6.67 H new ATOM 0 HH21 ARG A 84 20.459 12.799 2.780 1.00 7.08 H new ATOM 0 HH22 ARG A 84 19.786 12.073 1.317 1.00 7.08 H new ATOM 1289 N LYS A 85 17.657 12.643 9.071 1.00 4.00 N ATOM 1290 CA LYS A 85 17.353 13.970 9.592 1.00 4.93 C ATOM 1291 C LYS A 85 15.968 14.420 9.126 1.00 5.06 C ATOM 1292 O LYS A 85 15.738 15.600 8.858 1.00 5.81 O ATOM 1293 CB LYS A 85 18.425 14.970 9.141 1.00 5.72 C ATOM 1294 CG LYS A 85 18.369 16.308 9.864 1.00 6.56 C ATOM 1295 CD LYS A 85 18.624 16.148 11.355 1.00 7.22 C ATOM 1296 CE LYS A 85 18.581 17.486 12.075 1.00 8.23 C ATOM 1297 NZ LYS A 85 18.826 17.339 13.537 1.00 8.70 N ATOM 0 H LYS A 85 17.876 11.951 9.788 1.00 4.00 H new ATOM 0 HA LYS A 85 17.351 13.929 10.681 1.00 4.93 H new ATOM 0 HB2 LYS A 85 19.409 14.526 9.296 1.00 5.72 H new ATOM 0 HB3 LYS A 85 18.318 15.143 8.070 1.00 5.72 H new ATOM 0 HG2 LYS A 85 19.110 16.984 9.438 1.00 6.56 H new ATOM 0 HG3 LYS A 85 17.392 16.766 9.708 1.00 6.56 H new ATOM 0 HD2 LYS A 85 17.877 15.479 11.783 1.00 7.22 H new ATOM 0 HD3 LYS A 85 19.597 15.681 11.511 1.00 7.22 H new ATOM 0 HE2 LYS A 85 19.330 18.153 11.647 1.00 8.23 H new ATOM 0 HE3 LYS A 85 17.609 17.953 11.915 1.00 8.23 H new ATOM 0 HZ1 LYS A 85 18.788 18.274 13.991 1.00 8.70 H new ATOM 0 HZ2 LYS A 85 18.097 16.723 13.951 1.00 8.70 H new ATOM 0 HZ3 LYS A 85 19.764 16.917 13.691 1.00 8.70 H new ATOM 1311 N ALA A 86 15.047 13.462 9.030 1.00 4.58 N ATOM 1312 CA ALA A 86 13.685 13.750 8.596 1.00 4.96 C ATOM 1313 C ALA A 86 12.659 13.094 9.517 1.00 4.23 C ATOM 1314 O ALA A 86 11.989 13.775 10.295 1.00 4.67 O ATOM 1315 CB ALA A 86 13.477 13.284 7.162 1.00 5.68 C ATOM 0 H ALA A 86 15.221 12.481 9.247 1.00 4.58 H new ATOM 0 HA ALA A 86 13.540 14.829 8.644 1.00 4.96 H new ATOM 0 HB1 ALA A 86 12.456 13.506 6.852 1.00 5.68 H new ATOM 0 HB2 ALA A 86 14.176 13.803 6.506 1.00 5.68 H new ATOM 0 HB3 ALA A 86 13.650 12.210 7.100 1.00 5.68 H new ATOM 1321 N GLU A 87 12.535 11.773 9.417 1.00 3.27 N ATOM 1322 CA GLU A 87 11.584 11.026 10.235 1.00 2.78 C ATOM 1323 C GLU A 87 11.750 11.369 11.713 1.00 2.78 C ATOM 1324 O GLU A 87 10.929 12.087 12.285 1.00 3.47 O ATOM 1325 CB GLU A 87 11.763 9.520 10.012 1.00 2.42 C ATOM 1326 CG GLU A 87 10.673 8.662 10.642 1.00 3.19 C ATOM 1327 CD GLU A 87 10.722 8.651 12.158 1.00 3.92 C ATOM 1328 OE1 GLU A 87 11.753 8.216 12.715 1.00 4.37 O ATOM 1329 OE2 GLU A 87 9.731 9.076 12.787 1.00 4.46 O ATOM 0 H GLU A 87 13.082 11.197 8.777 1.00 3.27 H new ATOM 0 HA GLU A 87 10.576 11.309 9.933 1.00 2.78 H new ATOM 0 HB2 GLU A 87 11.791 9.323 8.940 1.00 2.42 H new ATOM 0 HB3 GLU A 87 12.728 9.216 10.417 1.00 2.42 H new ATOM 0 HG2 GLU A 87 9.699 9.029 10.319 1.00 3.19 H new ATOM 0 HG3 GLU A 87 10.766 7.640 10.275 1.00 3.19 H new ATOM 1336 N ARG A 88 12.816 10.851 12.323 1.00 2.49 N ATOM 1337 CA ARG A 88 13.097 11.097 13.734 1.00 2.70 C ATOM 1338 C ARG A 88 11.995 10.522 14.621 1.00 2.60 C ATOM 1339 O ARG A 88 12.132 9.424 15.162 1.00 3.18 O ATOM 1340 CB ARG A 88 13.260 12.599 13.994 1.00 3.45 C ATOM 1341 CG ARG A 88 14.402 13.231 13.214 1.00 4.14 C ATOM 1342 CD ARG A 88 15.768 12.745 13.691 1.00 4.97 C ATOM 1343 NE ARG A 88 16.132 13.293 14.999 1.00 5.51 N ATOM 1344 CZ ARG A 88 15.721 12.794 16.163 1.00 6.30 C ATOM 1345 NH1 ARG A 88 15.007 11.677 16.202 1.00 6.63 N ATOM 1346 NH2 ARG A 88 16.052 13.401 17.295 1.00 7.05 N ATOM 0 H ARG A 88 13.501 10.256 11.858 1.00 2.49 H new ATOM 0 HA ARG A 88 14.031 10.594 13.984 1.00 2.70 H new ATOM 0 HB2 ARG A 88 12.330 13.107 13.737 1.00 3.45 H new ATOM 0 HB3 ARG A 88 13.426 12.759 15.059 1.00 3.45 H new ATOM 0 HG2 ARG A 88 14.287 13.001 12.155 1.00 4.14 H new ATOM 0 HG3 ARG A 88 14.350 14.315 13.312 1.00 4.14 H new ATOM 0 HD2 ARG A 88 15.764 11.656 13.745 1.00 4.97 H new ATOM 0 HD3 ARG A 88 16.526 13.025 12.959 1.00 4.97 H new ATOM 0 HE ARG A 88 16.741 14.111 15.020 1.00 5.51 H new ATOM 0 HH11 ARG A 88 14.769 11.193 15.336 1.00 6.63 H new ATOM 0 HH12 ARG A 88 14.696 11.301 17.098 1.00 6.63 H new ATOM 0 HH21 ARG A 88 16.620 14.248 17.272 1.00 7.05 H new ATOM 0 HH22 ARG A 88 15.738 13.021 18.188 1.00 7.05 H new ATOM 1360 N TRP A 89 10.903 11.266 14.767 1.00 2.49 N ATOM 1361 CA TRP A 89 9.781 10.825 15.588 1.00 2.93 C ATOM 1362 C TRP A 89 8.469 11.411 15.075 1.00 2.93 C ATOM 1363 O TRP A 89 8.221 12.610 15.205 1.00 3.71 O ATOM 1364 CB TRP A 89 10.003 11.230 17.047 1.00 3.69 C ATOM 1365 CG TRP A 89 8.893 10.810 17.966 1.00 4.09 C ATOM 1366 CD1 TRP A 89 8.273 11.585 18.903 1.00 4.50 C ATOM 1367 CD2 TRP A 89 8.279 9.517 18.042 1.00 4.70 C ATOM 1368 NE1 TRP A 89 7.308 10.855 19.555 1.00 5.25 N ATOM 1369 CE2 TRP A 89 7.291 9.584 19.044 1.00 5.32 C ATOM 1370 CE3 TRP A 89 8.463 8.309 17.359 1.00 5.16 C ATOM 1371 CZ2 TRP A 89 6.495 8.492 19.380 1.00 6.18 C ATOM 1372 CZ3 TRP A 89 7.670 7.227 17.693 1.00 6.02 C ATOM 1373 CH2 TRP A 89 6.698 7.325 18.695 1.00 6.44 C ATOM 0 H TRP A 89 10.771 12.177 14.327 1.00 2.49 H new ATOM 0 HA TRP A 89 9.719 9.739 15.526 1.00 2.93 H new ATOM 0 HB2 TRP A 89 10.938 10.793 17.398 1.00 3.69 H new ATOM 0 HB3 TRP A 89 10.117 12.313 17.101 1.00 3.69 H new ATOM 0 HD1 TRP A 89 8.507 12.620 19.103 1.00 4.50 H new ATOM 0 HE1 TRP A 89 6.703 11.203 20.299 1.00 5.25 H new ATOM 0 HE3 TRP A 89 9.211 8.224 16.585 1.00 5.16 H new ATOM 0 HZ2 TRP A 89 5.745 8.564 20.153 1.00 6.18 H new ATOM 0 HZ3 TRP A 89 7.803 6.290 17.172 1.00 6.02 H new ATOM 0 HH2 TRP A 89 6.095 6.461 18.933 1.00 6.44 H new ATOM 1384 N GLY A 90 7.632 10.557 14.493 1.00 2.39 N ATOM 1385 CA GLY A 90 6.356 11.009 13.968 1.00 2.51 C ATOM 1386 C GLY A 90 5.676 9.968 13.095 1.00 2.11 C ATOM 1387 O GLY A 90 6.184 8.856 12.945 1.00 2.15 O ATOM 0 H GLY A 90 7.815 9.560 14.376 1.00 2.39 H new ATOM 0 HA2 GLY A 90 5.698 11.267 14.798 1.00 2.51 H new ATOM 0 HA3 GLY A 90 6.509 11.919 13.388 1.00 2.51 H new ATOM 1391 N PRO A 91 4.513 10.301 12.505 1.00 1.87 N ATOM 1392 CA PRO A 91 3.761 9.384 11.645 1.00 1.71 C ATOM 1393 C PRO A 91 4.382 9.240 10.259 1.00 1.71 C ATOM 1394 O PRO A 91 3.707 8.845 9.309 1.00 2.14 O ATOM 1395 CB PRO A 91 2.372 10.039 11.531 1.00 1.86 C ATOM 1396 CG PRO A 91 2.390 11.210 12.463 1.00 2.00 C ATOM 1397 CD PRO A 91 3.831 11.592 12.631 1.00 1.98 C ATOM 0 HA PRO A 91 3.742 8.377 12.061 1.00 1.71 H new ATOM 0 HB2 PRO A 91 2.174 10.358 10.508 1.00 1.86 H new ATOM 0 HB3 PRO A 91 1.585 9.335 11.804 1.00 1.86 H new ATOM 0 HG2 PRO A 91 1.813 12.040 12.056 1.00 2.00 H new ATOM 0 HG3 PRO A 91 1.942 10.950 13.422 1.00 2.00 H new ATOM 0 HD2 PRO A 91 4.156 12.300 11.868 1.00 1.98 H new ATOM 0 HD3 PRO A 91 4.018 12.058 13.598 1.00 1.98 H new ATOM 1405 N ARG A 92 5.666 9.568 10.146 1.00 2.00 N ATOM 1406 CA ARG A 92 6.365 9.478 8.870 1.00 2.09 C ATOM 1407 C ARG A 92 6.593 8.010 8.494 1.00 1.39 C ATOM 1408 O ARG A 92 5.831 7.145 8.922 1.00 1.88 O ATOM 1409 CB ARG A 92 7.688 10.248 8.951 1.00 3.24 C ATOM 1410 CG ARG A 92 8.230 10.678 7.596 1.00 4.14 C ATOM 1411 CD ARG A 92 9.271 11.778 7.736 1.00 4.91 C ATOM 1412 NE ARG A 92 8.717 12.969 8.376 1.00 5.90 N ATOM 1413 CZ ARG A 92 9.357 14.132 8.465 1.00 6.64 C ATOM 1414 NH1 ARG A 92 10.561 14.277 7.927 1.00 6.67 N ATOM 1415 NH2 ARG A 92 8.789 15.155 9.086 1.00 7.60 N ATOM 0 H ARG A 92 6.241 9.898 10.921 1.00 2.00 H new ATOM 0 HA ARG A 92 5.755 9.929 8.088 1.00 2.09 H new ATOM 0 HB2 ARG A 92 7.546 11.132 9.573 1.00 3.24 H new ATOM 0 HB3 ARG A 92 8.431 9.625 9.448 1.00 3.24 H new ATOM 0 HG2 ARG A 92 8.672 9.819 7.091 1.00 4.14 H new ATOM 0 HG3 ARG A 92 7.410 11.029 6.970 1.00 4.14 H new ATOM 0 HD2 ARG A 92 10.113 11.409 8.321 1.00 4.91 H new ATOM 0 HD3 ARG A 92 9.657 12.041 6.751 1.00 4.91 H new ATOM 0 HE ARG A 92 7.782 12.905 8.779 1.00 5.90 H new ATOM 0 HH11 ARG A 92 11.001 13.495 7.442 1.00 6.67 H new ATOM 0 HH12 ARG A 92 11.047 15.171 7.998 1.00 6.67 H new ATOM 0 HH21 ARG A 92 7.861 15.051 9.496 1.00 7.60 H new ATOM 0 HH22 ARG A 92 9.280 16.047 9.154 1.00 7.60 H new ATOM 1429 N THR A 93 7.618 7.740 7.678 1.00 1.14 N ATOM 1430 CA THR A 93 7.929 6.386 7.228 1.00 1.33 C ATOM 1431 C THR A 93 6.859 5.900 6.270 1.00 1.11 C ATOM 1432 O THR A 93 5.670 5.875 6.590 1.00 1.61 O ATOM 1433 CB THR A 93 8.093 5.402 8.394 1.00 1.94 C ATOM 1434 OG1 THR A 93 6.839 5.023 8.930 1.00 2.57 O ATOM 1435 CG2 THR A 93 8.927 5.953 9.530 1.00 2.58 C ATOM 0 H THR A 93 8.250 8.453 7.314 1.00 1.14 H new ATOM 0 HA THR A 93 8.889 6.427 6.712 1.00 1.33 H new ATOM 0 HB THR A 93 8.607 4.543 7.964 1.00 1.94 H new ATOM 0 HG1 THR A 93 6.142 5.618 8.583 1.00 2.57 H new ATOM 0 HG21 THR A 93 9.003 5.207 10.321 1.00 2.58 H new ATOM 0 HG22 THR A 93 9.924 6.197 9.164 1.00 2.58 H new ATOM 0 HG23 THR A 93 8.455 6.853 9.925 1.00 2.58 H new ATOM 1443 N LEU A 94 7.299 5.543 5.078 1.00 0.80 N ATOM 1444 CA LEU A 94 6.410 5.086 4.027 1.00 0.54 C ATOM 1445 C LEU A 94 5.913 3.668 4.286 1.00 0.52 C ATOM 1446 O LEU A 94 6.615 2.846 4.875 1.00 0.65 O ATOM 1447 CB LEU A 94 7.154 5.167 2.703 1.00 0.48 C ATOM 1448 CG LEU A 94 6.423 5.910 1.595 1.00 0.52 C ATOM 1449 CD1 LEU A 94 7.394 6.271 0.491 1.00 1.39 C ATOM 1450 CD2 LEU A 94 5.274 5.074 1.053 1.00 1.37 C ATOM 0 H LEU A 94 8.283 5.562 4.811 1.00 0.80 H new ATOM 0 HA LEU A 94 5.527 5.725 4.000 1.00 0.54 H new ATOM 0 HB2 LEU A 94 8.114 5.654 2.873 1.00 0.48 H new ATOM 0 HB3 LEU A 94 7.366 4.154 2.361 1.00 0.48 H new ATOM 0 HG LEU A 94 6.002 6.828 2.005 1.00 0.52 H new ATOM 0 HD11 LEU A 94 6.865 6.803 -0.300 1.00 1.39 H new ATOM 0 HD12 LEU A 94 8.181 6.909 0.893 1.00 1.39 H new ATOM 0 HD13 LEU A 94 7.836 5.362 0.084 1.00 1.39 H new ATOM 0 HD21 LEU A 94 4.765 5.625 0.262 1.00 1.37 H new ATOM 0 HD22 LEU A 94 5.663 4.138 0.652 1.00 1.37 H new ATOM 0 HD23 LEU A 94 4.570 4.859 1.857 1.00 1.37 H new ATOM 1462 N ASP A 95 4.693 3.395 3.832 1.00 0.49 N ATOM 1463 CA ASP A 95 4.082 2.083 4.000 1.00 0.56 C ATOM 1464 C ASP A 95 3.858 1.432 2.644 1.00 0.48 C ATOM 1465 O ASP A 95 2.861 1.696 1.971 1.00 0.65 O ATOM 1466 CB ASP A 95 2.752 2.205 4.748 1.00 0.87 C ATOM 1467 CG ASP A 95 2.068 0.866 4.932 1.00 1.51 C ATOM 1468 OD1 ASP A 95 2.660 -0.019 5.585 1.00 1.92 O ATOM 1469 OD2 ASP A 95 0.940 0.700 4.421 1.00 2.19 O ATOM 0 H ASP A 95 4.106 4.070 3.342 1.00 0.49 H new ATOM 0 HA ASP A 95 4.757 1.459 4.586 1.00 0.56 H new ATOM 0 HB2 ASP A 95 2.927 2.657 5.724 1.00 0.87 H new ATOM 0 HB3 ASP A 95 2.090 2.876 4.200 1.00 0.87 H new ATOM 1474 N LEU A 96 4.803 0.594 2.242 1.00 0.48 N ATOM 1475 CA LEU A 96 4.727 -0.083 0.958 1.00 0.63 C ATOM 1476 C LEU A 96 4.603 -1.594 1.121 1.00 0.60 C ATOM 1477 O LEU A 96 5.519 -2.258 1.593 1.00 0.76 O ATOM 1478 CB LEU A 96 5.950 0.256 0.093 1.00 0.97 C ATOM 1479 CG LEU A 96 7.235 0.645 0.844 1.00 0.98 C ATOM 1480 CD1 LEU A 96 7.094 2.005 1.508 1.00 1.91 C ATOM 1481 CD2 LEU A 96 7.618 -0.413 1.870 1.00 2.04 C ATOM 0 H LEU A 96 5.633 0.367 2.789 1.00 0.48 H new ATOM 0 HA LEU A 96 3.827 0.274 0.457 1.00 0.63 H new ATOM 0 HB2 LEU A 96 6.171 -0.605 -0.538 1.00 0.97 H new ATOM 0 HB3 LEU A 96 5.681 1.077 -0.571 1.00 0.97 H new ATOM 0 HG LEU A 96 8.036 0.708 0.107 1.00 0.98 H new ATOM 0 HD11 LEU A 96 8.018 2.252 2.031 1.00 1.91 H new ATOM 0 HD12 LEU A 96 6.893 2.761 0.749 1.00 1.91 H new ATOM 0 HD13 LEU A 96 6.270 1.978 2.221 1.00 1.91 H new ATOM 0 HD21 LEU A 96 8.530 -0.109 2.384 1.00 2.04 H new ATOM 0 HD22 LEU A 96 6.813 -0.524 2.596 1.00 2.04 H new ATOM 0 HD23 LEU A 96 7.786 -1.365 1.366 1.00 2.04 H new ATOM 1493 N ASP A 97 3.460 -2.127 0.716 1.00 0.55 N ATOM 1494 CA ASP A 97 3.208 -3.561 0.799 1.00 0.62 C ATOM 1495 C ASP A 97 2.289 -3.997 -0.328 1.00 0.56 C ATOM 1496 O ASP A 97 1.755 -3.168 -1.062 1.00 0.70 O ATOM 1497 CB ASP A 97 2.622 -3.929 2.163 1.00 0.79 C ATOM 1498 CG ASP A 97 1.385 -3.126 2.503 1.00 1.45 C ATOM 1499 OD1 ASP A 97 1.468 -1.881 2.521 1.00 1.98 O ATOM 1500 OD2 ASP A 97 0.333 -3.744 2.763 1.00 2.17 O ATOM 0 H ASP A 97 2.688 -1.587 0.325 1.00 0.55 H new ATOM 0 HA ASP A 97 4.155 -4.090 0.692 1.00 0.62 H new ATOM 0 HB2 ASP A 97 2.375 -4.991 2.173 1.00 0.79 H new ATOM 0 HB3 ASP A 97 3.377 -3.770 2.933 1.00 0.79 H new ATOM 1505 N ILE A 98 2.132 -5.303 -0.481 1.00 0.69 N ATOM 1506 CA ILE A 98 1.307 -5.846 -1.545 1.00 0.63 C ATOM 1507 C ILE A 98 0.129 -6.659 -1.016 1.00 0.67 C ATOM 1508 O ILE A 98 0.258 -7.409 -0.050 1.00 0.93 O ATOM 1509 CB ILE A 98 2.161 -6.731 -2.479 1.00 0.74 C ATOM 1510 CG1 ILE A 98 2.955 -7.756 -1.666 1.00 1.91 C ATOM 1511 CG2 ILE A 98 3.097 -5.872 -3.313 1.00 1.40 C ATOM 1512 CD1 ILE A 98 2.189 -9.021 -1.347 1.00 2.73 C ATOM 0 H ILE A 98 2.566 -6.005 0.119 1.00 0.69 H new ATOM 0 HA ILE A 98 0.902 -4.997 -2.096 1.00 0.63 H new ATOM 0 HB ILE A 98 1.494 -7.268 -3.153 1.00 0.74 H new ATOM 0 HG12 ILE A 98 3.857 -8.020 -2.217 1.00 1.91 H new ATOM 0 HG13 ILE A 98 3.276 -7.293 -0.733 1.00 1.91 H new ATOM 0 HG21 ILE A 98 3.692 -6.511 -3.966 1.00 1.40 H new ATOM 0 HG22 ILE A 98 2.513 -5.179 -3.918 1.00 1.40 H new ATOM 0 HG23 ILE A 98 3.759 -5.310 -2.654 1.00 1.40 H new ATOM 0 HD11 ILE A 98 2.822 -9.694 -0.769 1.00 2.73 H new ATOM 0 HD12 ILE A 98 1.300 -8.772 -0.767 1.00 2.73 H new ATOM 0 HD13 ILE A 98 1.891 -9.510 -2.275 1.00 2.73 H new ATOM 1524 N MET A 99 -1.011 -6.534 -1.691 1.00 0.53 N ATOM 1525 CA MET A 99 -2.191 -7.285 -1.337 1.00 0.63 C ATOM 1526 C MET A 99 -2.481 -8.247 -2.462 1.00 0.63 C ATOM 1527 O MET A 99 -3.485 -8.956 -2.447 1.00 0.87 O ATOM 1528 CB MET A 99 -3.404 -6.376 -1.116 1.00 0.70 C ATOM 1529 CG MET A 99 -3.402 -5.626 0.202 1.00 0.93 C ATOM 1530 SD MET A 99 -2.012 -4.497 0.380 1.00 1.77 S ATOM 1531 CE MET A 99 -2.419 -3.736 1.948 1.00 2.48 C ATOM 0 H MET A 99 -1.133 -5.912 -2.490 1.00 0.53 H new ATOM 0 HA MET A 99 -2.007 -7.812 -0.400 1.00 0.63 H new ATOM 0 HB2 MET A 99 -3.452 -5.653 -1.930 1.00 0.70 H new ATOM 0 HB3 MET A 99 -4.309 -6.981 -1.173 1.00 0.70 H new ATOM 0 HG2 MET A 99 -4.331 -5.064 0.293 1.00 0.93 H new ATOM 0 HG3 MET A 99 -3.383 -6.345 1.021 1.00 0.93 H new ATOM 0 HE1 MET A 99 -2.571 -2.666 1.805 1.00 2.48 H new ATOM 0 HE2 MET A 99 -3.331 -4.183 2.343 1.00 2.48 H new ATOM 0 HE3 MET A 99 -1.603 -3.895 2.652 1.00 2.48 H new ATOM 1541 N LEU A 100 -1.607 -8.225 -3.472 1.00 0.51 N ATOM 1542 CA LEU A 100 -1.796 -9.066 -4.637 1.00 0.55 C ATOM 1543 C LEU A 100 -0.504 -9.245 -5.434 1.00 0.54 C ATOM 1544 O LEU A 100 0.281 -8.306 -5.569 1.00 0.76 O ATOM 1545 CB LEU A 100 -2.843 -8.404 -5.517 1.00 0.75 C ATOM 1546 CG LEU A 100 -3.913 -9.320 -6.069 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -3.288 -10.429 -6.892 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -4.761 -9.903 -4.952 1.00 1.69 C ATOM 0 H LEU A 100 -0.773 -7.638 -3.499 1.00 0.51 H new ATOM 0 HA LEU A 100 -2.112 -10.057 -4.310 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -3.328 -7.615 -4.942 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -2.336 -7.923 -6.353 1.00 0.75 H new ATOM 0 HG LEU A 100 -4.563 -8.729 -6.715 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -4.072 -11.079 -7.282 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -2.730 -9.996 -7.722 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -2.612 -11.011 -6.265 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -5.522 -10.558 -5.377 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -4.127 -10.475 -4.275 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -5.243 -9.095 -4.402 1.00 1.69 H new ATOM 1560 N PHE A 101 -0.296 -10.447 -5.984 1.00 0.46 N ATOM 1561 CA PHE A 101 0.894 -10.714 -6.790 1.00 0.46 C ATOM 1562 C PHE A 101 0.515 -11.310 -8.144 1.00 0.51 C ATOM 1563 O PHE A 101 0.719 -12.500 -8.390 1.00 0.58 O ATOM 1564 CB PHE A 101 1.849 -11.661 -6.063 1.00 0.45 C ATOM 1565 CG PHE A 101 3.148 -11.874 -6.796 1.00 0.51 C ATOM 1566 CD1 PHE A 101 3.922 -10.793 -7.193 1.00 0.56 C ATOM 1567 CD2 PHE A 101 3.590 -13.153 -7.091 1.00 0.58 C ATOM 1568 CE1 PHE A 101 5.112 -10.987 -7.868 1.00 0.65 C ATOM 1569 CE2 PHE A 101 4.779 -13.352 -7.767 1.00 0.68 C ATOM 1570 CZ PHE A 101 5.541 -12.267 -8.155 1.00 0.71 C ATOM 0 H PHE A 101 -0.930 -11.240 -5.886 1.00 0.46 H new ATOM 0 HA PHE A 101 1.398 -9.761 -6.952 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.061 -11.262 -5.071 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.358 -12.624 -5.921 1.00 0.45 H new ATOM 0 HD1 PHE A 101 3.591 -9.789 -6.972 1.00 0.56 H new ATOM 0 HD2 PHE A 101 2.999 -14.005 -6.789 1.00 0.58 H new ATOM 0 HE1 PHE A 101 5.706 -10.137 -8.171 1.00 0.65 H new ATOM 0 HE2 PHE A 101 5.112 -14.355 -7.992 1.00 0.68 H new ATOM 0 HZ PHE A 101 6.471 -12.420 -8.682 1.00 0.71 H new ATOM 1580 N GLY A 102 -0.042 -10.479 -9.022 1.00 0.54 N ATOM 1581 CA GLY A 102 -0.439 -10.944 -10.337 1.00 0.65 C ATOM 1582 C GLY A 102 -1.682 -11.810 -10.298 1.00 0.67 C ATOM 1583 O GLY A 102 -2.253 -12.116 -11.346 1.00 0.99 O ATOM 0 H GLY A 102 -0.225 -9.491 -8.844 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -0.619 -10.085 -10.983 1.00 0.65 H new ATOM 0 HA3 GLY A 102 0.380 -11.510 -10.781 1.00 0.65 H new ATOM 1587 N ASN A 103 -2.061 -12.223 -9.084 1.00 0.58 N ATOM 1588 CA ASN A 103 -3.215 -13.091 -8.844 1.00 0.64 C ATOM 1589 C ASN A 103 -2.707 -14.513 -8.795 1.00 0.71 C ATOM 1590 O ASN A 103 -3.281 -15.440 -9.369 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.300 -12.908 -9.915 1.00 0.78 C ATOM 1592 CG ASN A 103 -5.584 -13.638 -9.590 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -6.531 -12.920 -8.997 1.00 2.12 O flip ATOM 1594 ND2 ASN A 103 -5.719 -14.833 -9.847 1.00 1.38 N flip ATOM 0 H ASN A 103 -1.568 -11.960 -8.231 1.00 0.58 H new ATOM 0 HA ASN A 103 -3.691 -12.830 -7.899 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.513 -11.845 -10.030 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -3.920 -13.263 -10.873 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -4.964 -15.345 -10.304 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -6.586 -15.312 -9.603 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.583 -14.646 -8.110 1.00 0.53 N ATOM 1602 CA GLU A 104 -0.897 -15.903 -7.954 1.00 0.61 C ATOM 1603 C GLU A 104 -0.825 -16.256 -6.478 1.00 0.64 C ATOM 1604 O GLU A 104 -0.404 -15.435 -5.667 1.00 0.84 O ATOM 1605 CB GLU A 104 0.500 -15.747 -8.537 1.00 0.70 C ATOM 1606 CG GLU A 104 1.109 -17.025 -9.059 1.00 1.16 C ATOM 1607 CD GLU A 104 1.345 -18.059 -7.977 1.00 1.28 C ATOM 1608 OE1 GLU A 104 2.121 -17.775 -7.043 1.00 1.87 O ATOM 1609 OE2 GLU A 104 0.750 -19.154 -8.063 1.00 1.79 O ATOM 0 H GLU A 104 -1.120 -13.867 -7.642 1.00 0.53 H new ATOM 0 HA GLU A 104 -1.425 -16.704 -8.472 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.462 -15.020 -9.348 1.00 0.70 H new ATOM 0 HB3 GLU A 104 1.156 -15.334 -7.770 1.00 0.70 H new ATOM 0 HG2 GLU A 104 0.453 -17.448 -9.820 1.00 1.16 H new ATOM 0 HG3 GLU A 104 2.057 -16.796 -9.546 1.00 1.16 H new ATOM 1616 N VAL A 105 -1.234 -17.463 -6.123 1.00 0.62 N ATOM 1617 CA VAL A 105 -1.209 -17.875 -4.729 1.00 0.66 C ATOM 1618 C VAL A 105 0.211 -18.180 -4.306 1.00 0.70 C ATOM 1619 O VAL A 105 0.747 -19.252 -4.594 1.00 0.83 O ATOM 1620 CB VAL A 105 -2.099 -19.106 -4.470 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -2.099 -19.468 -2.992 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -3.515 -18.858 -4.963 1.00 0.95 C ATOM 0 H VAL A 105 -1.584 -18.168 -6.772 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.606 -17.048 -4.140 1.00 0.66 H new ATOM 0 HB VAL A 105 -1.687 -19.948 -5.027 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -2.733 -20.340 -2.831 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -1.082 -19.696 -2.673 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -2.482 -18.628 -2.412 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -4.127 -19.739 -4.771 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -3.938 -18.001 -4.439 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -3.497 -18.655 -6.034 1.00 0.95 H new ATOM 1632 N ILE A 106 0.828 -17.210 -3.653 1.00 0.65 N ATOM 1633 CA ILE A 106 2.205 -17.343 -3.222 1.00 0.72 C ATOM 1634 C ILE A 106 2.471 -16.532 -1.961 1.00 0.77 C ATOM 1635 O ILE A 106 2.657 -15.316 -2.016 1.00 0.84 O ATOM 1636 CB ILE A 106 3.112 -16.872 -4.369 1.00 0.81 C ATOM 1637 CG1 ILE A 106 4.572 -16.776 -3.952 1.00 0.76 C ATOM 1638 CG2 ILE A 106 2.623 -15.535 -4.905 1.00 1.33 C ATOM 1639 CD1 ILE A 106 5.452 -16.344 -5.101 1.00 0.76 C ATOM 0 H ILE A 106 0.394 -16.320 -3.410 1.00 0.65 H new ATOM 0 HA ILE A 106 2.412 -18.385 -2.980 1.00 0.72 H new ATOM 0 HB ILE A 106 3.056 -17.622 -5.158 1.00 0.81 H new ATOM 0 HG12 ILE A 106 4.670 -16.066 -3.131 1.00 0.76 H new ATOM 0 HG13 ILE A 106 4.909 -17.743 -3.579 1.00 0.76 H new ATOM 0 HG21 ILE A 106 3.272 -15.209 -5.718 1.00 1.33 H new ATOM 0 HG22 ILE A 106 1.604 -15.642 -5.276 1.00 1.33 H new ATOM 0 HG23 ILE A 106 2.642 -14.794 -4.106 1.00 1.33 H new ATOM 0 HD11 ILE A 106 6.487 -16.287 -4.765 1.00 0.76 H new ATOM 0 HD12 ILE A 106 5.373 -17.068 -5.912 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.131 -15.365 -5.457 1.00 0.76 H new ATOM 1651 N ASN A 107 2.475 -17.216 -0.821 1.00 0.80 N ATOM 1652 CA ASN A 107 2.702 -16.567 0.465 1.00 0.91 C ATOM 1653 C ASN A 107 3.957 -17.091 1.150 1.00 0.92 C ATOM 1654 O ASN A 107 4.239 -18.289 1.137 1.00 1.03 O ATOM 1655 CB ASN A 107 1.494 -16.769 1.378 1.00 1.00 C ATOM 1656 CG ASN A 107 0.216 -16.245 0.762 1.00 1.11 C ATOM 1657 OD1 ASN A 107 0.352 -15.524 -0.342 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 -0.877 -16.471 1.281 1.00 1.12 N flip ATOM 0 H ASN A 107 2.323 -18.223 -0.762 1.00 0.80 H new ATOM 0 HA ASN A 107 2.843 -15.503 0.274 1.00 0.91 H new ATOM 0 HB2 ASN A 107 1.380 -17.831 1.597 1.00 1.00 H new ATOM 0 HB3 ASN A 107 1.671 -16.264 2.328 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -0.932 -17.032 2.131 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -1.728 -16.098 0.861 1.00 1.12 H new ATOM 1665 N THR A 108 4.694 -16.173 1.759 1.00 0.92 N ATOM 1666 CA THR A 108 5.918 -16.504 2.475 1.00 1.01 C ATOM 1667 C THR A 108 6.134 -15.522 3.623 1.00 1.15 C ATOM 1668 O THR A 108 6.297 -15.927 4.774 1.00 1.79 O ATOM 1669 CB THR A 108 7.117 -16.494 1.524 1.00 1.00 C ATOM 1670 OG1 THR A 108 8.331 -16.591 2.245 1.00 1.66 O ATOM 1671 CG2 THR A 108 7.190 -15.257 0.652 1.00 1.26 C ATOM 0 H THR A 108 4.461 -15.180 1.771 1.00 0.92 H new ATOM 0 HA THR A 108 5.821 -17.508 2.888 1.00 1.01 H new ATOM 0 HB THR A 108 6.974 -17.359 0.876 1.00 1.00 H new ATOM 0 HG1 THR A 108 9.085 -16.584 1.619 1.00 1.66 H new ATOM 0 HG21 THR A 108 8.065 -15.319 0.004 1.00 1.26 H new ATOM 0 HG22 THR A 108 6.290 -15.189 0.041 1.00 1.26 H new ATOM 0 HG23 THR A 108 7.268 -14.371 1.283 1.00 1.26 H new ATOM 1679 N GLU A 109 6.107 -14.231 3.294 1.00 0.95 N ATOM 1680 CA GLU A 109 6.276 -13.162 4.278 1.00 1.05 C ATOM 1681 C GLU A 109 6.412 -11.818 3.580 1.00 1.06 C ATOM 1682 O GLU A 109 5.677 -10.875 3.876 1.00 1.32 O ATOM 1683 CB GLU A 109 7.503 -13.410 5.164 1.00 1.20 C ATOM 1684 CG GLU A 109 7.723 -12.336 6.218 1.00 1.46 C ATOM 1685 CD GLU A 109 6.615 -12.283 7.253 1.00 2.13 C ATOM 1686 OE1 GLU A 109 5.688 -13.117 7.171 1.00 2.74 O ATOM 1687 OE2 GLU A 109 6.668 -11.406 8.141 1.00 2.57 O ATOM 0 H GLU A 109 5.968 -13.897 2.340 1.00 0.95 H new ATOM 0 HA GLU A 109 5.390 -13.152 4.912 1.00 1.05 H new ATOM 0 HB2 GLU A 109 7.394 -14.375 5.659 1.00 1.20 H new ATOM 0 HB3 GLU A 109 8.389 -13.474 4.533 1.00 1.20 H new ATOM 0 HG2 GLU A 109 8.673 -12.517 6.720 1.00 1.46 H new ATOM 0 HG3 GLU A 109 7.802 -11.365 5.728 1.00 1.46 H new ATOM 1694 N ARG A 110 7.344 -11.743 2.639 1.00 0.93 N ATOM 1695 CA ARG A 110 7.559 -10.520 1.883 1.00 0.97 C ATOM 1696 C ARG A 110 6.602 -10.476 0.705 1.00 0.79 C ATOM 1697 O ARG A 110 6.421 -9.433 0.078 1.00 0.87 O ATOM 1698 CB ARG A 110 8.999 -10.434 1.366 1.00 1.17 C ATOM 1699 CG ARG A 110 10.055 -10.330 2.456 1.00 1.05 C ATOM 1700 CD ARG A 110 9.854 -9.100 3.323 1.00 1.57 C ATOM 1701 NE ARG A 110 10.934 -8.941 4.294 1.00 2.14 N ATOM 1702 CZ ARG A 110 11.034 -7.911 5.129 1.00 2.68 C ATOM 1703 NH1 ARG A 110 10.117 -6.951 5.117 1.00 2.96 N ATOM 1704 NH2 ARG A 110 12.048 -7.841 5.977 1.00 3.52 N ATOM 0 H ARG A 110 7.961 -12.514 2.383 1.00 0.93 H new ATOM 0 HA ARG A 110 7.378 -9.674 2.546 1.00 0.97 H new ATOM 0 HB2 ARG A 110 9.207 -11.315 0.759 1.00 1.17 H new ATOM 0 HB3 ARG A 110 9.085 -9.568 0.710 1.00 1.17 H new ATOM 0 HG2 ARG A 110 10.022 -11.223 3.080 1.00 1.05 H new ATOM 0 HG3 ARG A 110 11.045 -10.295 2.001 1.00 1.05 H new ATOM 0 HD2 ARG A 110 9.800 -8.214 2.691 1.00 1.57 H new ATOM 0 HD3 ARG A 110 8.901 -9.176 3.847 1.00 1.57 H new ATOM 0 HE ARG A 110 11.654 -9.663 4.334 1.00 2.14 H new ATOM 0 HH11 ARG A 110 9.333 -7.002 4.466 1.00 2.96 H new ATOM 0 HH12 ARG A 110 10.196 -6.162 5.759 1.00 2.96 H new ATOM 0 HH21 ARG A 110 12.754 -8.578 5.990 1.00 3.52 H new ATOM 0 HH22 ARG A 110 12.124 -7.050 6.617 1.00 3.52 H new ATOM 1718 N LEU A 111 6.003 -11.624 0.404 1.00 0.72 N ATOM 1719 CA LEU A 111 5.077 -11.723 -0.711 1.00 0.75 C ATOM 1720 C LEU A 111 3.911 -12.666 -0.426 1.00 0.66 C ATOM 1721 O LEU A 111 4.060 -13.887 -0.441 1.00 0.70 O ATOM 1722 CB LEU A 111 5.816 -12.177 -1.970 1.00 0.95 C ATOM 1723 CG LEU A 111 4.911 -12.640 -3.115 1.00 0.69 C ATOM 1724 CD1 LEU A 111 3.846 -11.598 -3.403 1.00 0.95 C ATOM 1725 CD2 LEU A 111 5.729 -12.918 -4.364 1.00 1.36 C ATOM 0 H LEU A 111 6.144 -12.494 0.917 1.00 0.72 H new ATOM 0 HA LEU A 111 4.658 -10.729 -0.865 1.00 0.75 H new ATOM 0 HB2 LEU A 111 6.437 -11.355 -2.326 1.00 0.95 H new ATOM 0 HB3 LEU A 111 6.489 -12.993 -1.705 1.00 0.95 H new ATOM 0 HG LEU A 111 4.420 -13.565 -2.812 1.00 0.69 H new ATOM 0 HD11 LEU A 111 3.211 -11.943 -4.219 1.00 0.95 H new ATOM 0 HD12 LEU A 111 3.238 -11.443 -2.512 1.00 0.95 H new ATOM 0 HD13 LEU A 111 4.322 -10.659 -3.685 1.00 0.95 H new ATOM 0 HD21 LEU A 111 5.068 -13.246 -5.166 1.00 1.36 H new ATOM 0 HD22 LEU A 111 6.247 -12.009 -4.669 1.00 1.36 H new ATOM 0 HD23 LEU A 111 6.460 -13.699 -4.154 1.00 1.36 H new ATOM 1737 N THR A 112 2.745 -12.072 -0.199 1.00 0.71 N ATOM 1738 CA THR A 112 1.518 -12.820 0.052 1.00 0.67 C ATOM 1739 C THR A 112 0.389 -12.273 -0.830 1.00 0.66 C ATOM 1740 O THR A 112 0.056 -11.092 -0.751 1.00 0.82 O ATOM 1741 CB THR A 112 1.139 -12.736 1.529 1.00 0.74 C ATOM 1742 OG1 THR A 112 -0.120 -13.341 1.755 1.00 0.75 O ATOM 1743 CG2 THR A 112 1.073 -11.318 2.055 1.00 0.83 C ATOM 0 H THR A 112 2.623 -11.059 -0.184 1.00 0.71 H new ATOM 0 HA THR A 112 1.680 -13.869 -0.197 1.00 0.67 H new ATOM 0 HB THR A 112 1.932 -13.261 2.061 1.00 0.74 H new ATOM 0 HG1 THR A 112 -0.081 -13.883 2.571 1.00 0.75 H new ATOM 0 HG21 THR A 112 0.799 -11.334 3.110 1.00 0.83 H new ATOM 0 HG22 THR A 112 2.047 -10.842 1.940 1.00 0.83 H new ATOM 0 HG23 THR A 112 0.326 -10.756 1.494 1.00 0.83 H new ATOM 1751 N VAL A 113 -0.180 -13.122 -1.693 1.00 0.60 N ATOM 1752 CA VAL A 113 -1.243 -12.676 -2.599 1.00 0.61 C ATOM 1753 C VAL A 113 -2.555 -12.371 -1.875 1.00 0.64 C ATOM 1754 O VAL A 113 -3.204 -11.378 -2.187 1.00 0.80 O ATOM 1755 CB VAL A 113 -1.480 -13.662 -3.771 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -2.250 -14.901 -3.348 1.00 1.27 C ATOM 1757 CG2 VAL A 113 -2.190 -12.959 -4.915 1.00 1.38 C ATOM 0 H VAL A 113 0.073 -14.106 -1.783 1.00 0.60 H new ATOM 0 HA VAL A 113 -0.882 -11.739 -3.023 1.00 0.61 H new ATOM 0 HB VAL A 113 -0.500 -14.000 -4.107 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -2.387 -15.556 -4.209 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -1.692 -15.430 -2.575 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -3.224 -14.608 -2.956 1.00 1.27 H new ATOM 0 HG21 VAL A 113 -2.350 -13.663 -5.731 1.00 1.38 H new ATOM 0 HG22 VAL A 113 -3.152 -12.580 -4.569 1.00 1.38 H new ATOM 0 HG23 VAL A 113 -1.578 -12.128 -5.267 1.00 1.38 H new ATOM 1767 N PRO A 114 -2.966 -13.179 -0.884 1.00 0.61 N ATOM 1768 CA PRO A 114 -4.187 -12.928 -0.133 1.00 0.70 C ATOM 1769 C PRO A 114 -3.926 -11.851 0.901 1.00 0.76 C ATOM 1770 O PRO A 114 -4.824 -11.426 1.622 1.00 0.88 O ATOM 1771 CB PRO A 114 -4.460 -14.271 0.561 1.00 0.68 C ATOM 1772 CG PRO A 114 -3.471 -15.223 -0.021 1.00 0.83 C ATOM 1773 CD PRO A 114 -2.302 -14.372 -0.377 1.00 0.63 C ATOM 0 HA PRO A 114 -5.020 -12.592 -0.751 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -4.337 -14.188 1.641 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -5.481 -14.606 0.381 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -3.195 -15.997 0.695 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -3.875 -15.729 -0.897 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -1.671 -14.157 0.486 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -1.666 -14.840 -1.128 1.00 0.63 H new ATOM 1781 N HIS A 115 -2.661 -11.437 0.954 1.00 0.82 N ATOM 1782 CA HIS A 115 -2.188 -10.420 1.887 1.00 0.95 C ATOM 1783 C HIS A 115 -2.638 -10.701 3.312 1.00 0.86 C ATOM 1784 O HIS A 115 -3.805 -10.523 3.655 1.00 0.88 O ATOM 1785 CB HIS A 115 -2.660 -9.029 1.479 1.00 1.14 C ATOM 1786 CG HIS A 115 -2.092 -7.947 2.347 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -0.740 -7.690 2.439 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -2.697 -7.061 3.173 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -0.539 -6.696 3.284 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -1.710 -6.295 3.744 1.00 3.97 N ATOM 0 H HIS A 115 -1.930 -11.803 0.344 1.00 0.82 H new ATOM 0 HA HIS A 115 -1.099 -10.456 1.852 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -2.377 -8.843 0.443 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -3.748 -8.991 1.524 1.00 1.14 H new ATOM 0 HD1 HIS A 115 -0.009 -8.190 1.933 1.00 3.14 H new ATOM 0 HD2 HIS A 115 -3.759 -6.973 3.350 1.00 2.95 H new ATOM 0 HE1 HIS A 115 0.421 -6.281 3.554 1.00 4.09 H new ATOM 1799 N TYR A 116 -1.697 -11.114 4.147 1.00 1.04 N ATOM 1800 CA TYR A 116 -2.006 -11.388 5.540 1.00 1.14 C ATOM 1801 C TYR A 116 -2.498 -10.125 6.239 1.00 1.04 C ATOM 1802 O TYR A 116 -1.719 -9.203 6.484 1.00 1.47 O ATOM 1803 CB TYR A 116 -0.781 -11.946 6.272 1.00 1.62 C ATOM 1804 CG TYR A 116 -0.470 -13.391 5.940 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -0.398 -13.828 4.624 1.00 3.06 C ATOM 1806 CD2 TYR A 116 -0.249 -14.320 6.950 1.00 2.56 C ATOM 1807 CE1 TYR A 116 -0.118 -15.146 4.322 1.00 4.05 C ATOM 1808 CE2 TYR A 116 0.033 -15.640 6.657 1.00 3.50 C ATOM 1809 CZ TYR A 116 0.096 -16.049 5.342 1.00 4.18 C ATOM 1810 OH TYR A 116 0.376 -17.363 5.046 1.00 5.29 O ATOM 0 H TYR A 116 -0.722 -11.265 3.887 1.00 1.04 H new ATOM 0 HA TYR A 116 -2.797 -12.137 5.566 1.00 1.14 H new ATOM 0 HB2 TYR A 116 0.086 -11.333 6.027 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -0.941 -11.857 7.347 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -0.564 -13.124 3.822 1.00 3.06 H new ATOM 0 HD2 TYR A 116 -0.299 -14.004 7.982 1.00 2.56 H new ATOM 0 HE1 TYR A 116 -0.067 -15.468 3.292 1.00 4.05 H new ATOM 0 HE2 TYR A 116 0.203 -16.348 7.454 1.00 3.50 H new ATOM 0 HH TYR A 116 0.501 -17.866 5.878 1.00 5.29 H new ATOM 1820 N ASP A 117 -3.796 -10.113 6.559 1.00 0.77 N ATOM 1821 CA ASP A 117 -4.449 -8.996 7.252 1.00 0.80 C ATOM 1822 C ASP A 117 -4.997 -7.921 6.306 1.00 0.72 C ATOM 1823 O ASP A 117 -5.121 -6.763 6.701 1.00 0.82 O ATOM 1824 CB ASP A 117 -3.516 -8.353 8.286 1.00 1.03 C ATOM 1825 CG ASP A 117 -3.144 -9.306 9.405 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -2.551 -10.365 9.110 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -3.445 -8.996 10.576 1.00 2.22 O ATOM 0 H ASP A 117 -4.428 -10.884 6.343 1.00 0.77 H new ATOM 0 HA ASP A 117 -5.305 -9.438 7.763 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -2.609 -8.010 7.788 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -4.000 -7.472 8.709 1.00 1.03 H new ATOM 1832 N MET A 118 -5.369 -8.293 5.075 1.00 0.69 N ATOM 1833 CA MET A 118 -5.949 -7.313 4.153 1.00 0.72 C ATOM 1834 C MET A 118 -7.283 -6.841 4.716 1.00 0.71 C ATOM 1835 O MET A 118 -7.657 -5.677 4.571 1.00 0.73 O ATOM 1836 CB MET A 118 -6.137 -7.885 2.732 1.00 0.83 C ATOM 1837 CG MET A 118 -6.463 -9.368 2.711 1.00 1.15 C ATOM 1838 SD MET A 118 -8.105 -9.747 3.351 1.00 2.40 S ATOM 1839 CE MET A 118 -8.122 -11.530 3.203 1.00 3.10 C ATOM 0 H MET A 118 -5.282 -9.239 4.703 1.00 0.69 H new ATOM 0 HA MET A 118 -5.258 -6.475 4.063 1.00 0.72 H new ATOM 0 HB2 MET A 118 -6.937 -7.339 2.233 1.00 0.83 H new ATOM 0 HB3 MET A 118 -5.227 -7.714 2.157 1.00 0.83 H new ATOM 0 HG2 MET A 118 -6.386 -9.735 1.688 1.00 1.15 H new ATOM 0 HG3 MET A 118 -5.719 -9.905 3.299 1.00 1.15 H new ATOM 0 HE1 MET A 118 -8.879 -11.828 2.478 1.00 3.10 H new ATOM 0 HE2 MET A 118 -7.144 -11.877 2.869 1.00 3.10 H new ATOM 0 HE3 MET A 118 -8.353 -11.973 4.172 1.00 3.10 H new ATOM 1849 N LYS A 119 -7.975 -7.752 5.400 1.00 0.80 N ATOM 1850 CA LYS A 119 -9.250 -7.440 6.033 1.00 0.95 C ATOM 1851 C LYS A 119 -9.033 -6.441 7.160 1.00 0.99 C ATOM 1852 O LYS A 119 -9.972 -6.019 7.831 1.00 1.24 O ATOM 1853 CB LYS A 119 -9.898 -8.713 6.583 1.00 1.15 C ATOM 1854 CG LYS A 119 -9.027 -9.445 7.592 1.00 1.30 C ATOM 1855 CD LYS A 119 -9.743 -10.649 8.187 1.00 1.70 C ATOM 1856 CE LYS A 119 -10.067 -11.691 7.129 1.00 2.06 C ATOM 1857 NZ LYS A 119 -10.777 -12.866 7.706 1.00 2.67 N ATOM 0 H LYS A 119 -7.669 -8.717 5.529 1.00 0.80 H new ATOM 0 HA LYS A 119 -9.915 -7.004 5.288 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -10.847 -8.455 7.053 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -10.124 -9.384 5.754 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -8.106 -9.772 7.108 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -8.742 -8.760 8.391 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -9.119 -11.098 8.960 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -10.664 -10.322 8.670 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -10.684 -11.240 6.352 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -9.145 -12.023 6.652 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -10.178 -13.712 7.617 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -10.980 -12.690 8.711 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -11.669 -13.018 7.194 1.00 2.67 H new ATOM 1871 N ASN A 120 -7.773 -6.071 7.352 1.00 0.90 N ATOM 1872 CA ASN A 120 -7.388 -5.120 8.381 1.00 1.04 C ATOM 1873 C ASN A 120 -6.781 -3.878 7.743 1.00 1.08 C ATOM 1874 O ASN A 120 -6.002 -3.159 8.367 1.00 1.35 O ATOM 1875 CB ASN A 120 -6.383 -5.757 9.339 1.00 1.08 C ATOM 1876 CG ASN A 120 -7.014 -6.823 10.214 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -7.953 -6.550 10.962 1.00 1.77 O ATOM 1878 ND2 ASN A 120 -6.499 -8.042 10.128 1.00 1.84 N ATOM 0 H ASN A 120 -6.992 -6.423 6.798 1.00 0.90 H new ATOM 0 HA ASN A 120 -8.277 -4.833 8.943 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -5.567 -6.197 8.766 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -5.947 -4.983 9.971 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -6.881 -8.798 10.696 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -5.721 -8.223 9.494 1.00 1.84 H new ATOM 1885 N ARG A 121 -7.153 -3.640 6.489 1.00 0.93 N ATOM 1886 CA ARG A 121 -6.658 -2.493 5.736 1.00 1.06 C ATOM 1887 C ARG A 121 -7.620 -2.129 4.624 1.00 0.84 C ATOM 1888 O ARG A 121 -7.231 -2.043 3.458 1.00 0.87 O ATOM 1889 CB ARG A 121 -5.298 -2.788 5.113 1.00 1.31 C ATOM 1890 CG ARG A 121 -4.157 -2.890 6.100 1.00 1.14 C ATOM 1891 CD ARG A 121 -2.840 -2.903 5.359 1.00 1.39 C ATOM 1892 NE ARG A 121 -1.694 -3.080 6.250 1.00 1.56 N ATOM 1893 CZ ARG A 121 -1.336 -2.201 7.183 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -2.024 -1.079 7.346 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -0.284 -2.444 7.952 1.00 2.04 N ATOM 0 H ARG A 121 -7.801 -4.232 5.970 1.00 0.93 H new ATOM 0 HA ARG A 121 -6.566 -1.664 6.438 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -5.364 -3.723 4.557 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -5.067 -2.004 4.392 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -4.187 -2.049 6.793 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -4.259 -3.797 6.695 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -2.850 -3.706 4.622 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -2.727 -1.968 4.810 1.00 1.39 H new ATOM 0 HE ARG A 121 -1.136 -3.928 6.150 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -2.832 -0.886 6.755 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -1.745 -0.409 8.063 1.00 2.29 H new ATOM 0 HH21 ARG A 121 0.250 -3.304 7.828 1.00 2.04 H new ATOM 0 HH22 ARG A 121 -0.009 -1.771 8.667 1.00 2.04 H new ATOM 1909 N GLY A 122 -8.872 -1.926 4.979 1.00 0.73 N ATOM 1910 CA GLY A 122 -9.859 -1.581 3.987 1.00 0.60 C ATOM 1911 C GLY A 122 -9.505 -0.327 3.220 1.00 0.57 C ATOM 1912 O GLY A 122 -9.923 -0.167 2.084 1.00 0.59 O ATOM 0 H GLY A 122 -9.223 -1.993 5.934 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -9.970 -2.410 3.288 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -10.824 -1.443 4.474 1.00 0.60 H new ATOM 1916 N PHE A 123 -8.724 0.563 3.830 1.00 0.65 N ATOM 1917 CA PHE A 123 -8.343 1.802 3.168 1.00 0.72 C ATOM 1918 C PHE A 123 -7.479 1.530 1.946 1.00 0.80 C ATOM 1919 O PHE A 123 -7.276 2.409 1.115 1.00 1.14 O ATOM 1920 CB PHE A 123 -7.645 2.757 4.139 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.670 2.096 5.077 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -5.720 1.212 4.590 1.00 1.47 C ATOM 1923 CD2 PHE A 123 -6.702 2.354 6.434 1.00 1.10 C ATOM 1924 CE1 PHE A 123 -4.822 0.599 5.443 1.00 2.04 C ATOM 1925 CE2 PHE A 123 -5.807 1.746 7.293 1.00 1.49 C ATOM 1926 CZ PHE A 123 -4.876 0.882 6.818 1.00 1.98 C ATOM 0 H PHE A 123 -8.348 0.449 4.771 1.00 0.65 H new ATOM 0 HA PHE A 123 -9.256 2.288 2.825 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -7.117 3.517 3.563 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -8.403 3.273 4.728 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -5.681 1.000 3.532 1.00 1.47 H new ATOM 0 HD2 PHE A 123 -7.437 3.040 6.829 1.00 1.10 H new ATOM 0 HE1 PHE A 123 -4.086 -0.091 5.057 1.00 2.04 H new ATOM 0 HE2 PHE A 123 -5.849 1.960 8.351 1.00 1.49 H new ATOM 0 HZ PHE A 123 -4.178 0.413 7.495 1.00 1.98 H new ATOM 1936 N MET A 124 -7.005 0.297 1.823 1.00 0.62 N ATOM 1937 CA MET A 124 -6.203 -0.096 0.675 1.00 0.68 C ATOM 1938 C MET A 124 -7.020 -1.022 -0.211 1.00 0.64 C ATOM 1939 O MET A 124 -6.743 -1.178 -1.401 1.00 0.68 O ATOM 1940 CB MET A 124 -4.910 -0.796 1.103 1.00 0.80 C ATOM 1941 CG MET A 124 -4.057 0.015 2.063 1.00 1.00 C ATOM 1942 SD MET A 124 -3.984 1.768 1.635 1.00 1.91 S ATOM 1943 CE MET A 124 -3.352 1.697 -0.039 1.00 2.23 C ATOM 0 H MET A 124 -7.162 -0.446 2.504 1.00 0.62 H new ATOM 0 HA MET A 124 -5.927 0.804 0.126 1.00 0.68 H new ATOM 0 HB2 MET A 124 -5.162 -1.747 1.572 1.00 0.80 H new ATOM 0 HB3 MET A 124 -4.321 -1.025 0.214 1.00 0.80 H new ATOM 0 HG2 MET A 124 -4.455 -0.091 3.072 1.00 1.00 H new ATOM 0 HG3 MET A 124 -3.046 -0.393 2.075 1.00 1.00 H new ATOM 0 HE1 MET A 124 -2.485 2.352 -0.129 1.00 2.23 H new ATOM 0 HE2 MET A 124 -3.060 0.674 -0.274 1.00 2.23 H new ATOM 0 HE3 MET A 124 -4.126 2.022 -0.734 1.00 2.23 H new ATOM 1953 N LEU A 125 -8.032 -1.637 0.390 1.00 0.61 N ATOM 1954 CA LEU A 125 -8.899 -2.557 -0.327 1.00 0.62 C ATOM 1955 C LEU A 125 -10.018 -1.822 -1.081 1.00 0.56 C ATOM 1956 O LEU A 125 -10.330 -2.187 -2.213 1.00 0.63 O ATOM 1957 CB LEU A 125 -9.477 -3.599 0.634 1.00 0.67 C ATOM 1958 CG LEU A 125 -8.471 -4.306 1.562 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -9.008 -5.665 1.981 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -7.100 -4.449 0.910 1.00 1.16 C ATOM 0 H LEU A 125 -8.270 -1.513 1.374 1.00 0.61 H new ATOM 0 HA LEU A 125 -8.294 -3.069 -1.076 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -10.230 -3.112 1.254 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -9.991 -4.359 0.045 1.00 0.67 H new ATOM 0 HG LEU A 125 -8.345 -3.685 2.449 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -8.288 -6.154 2.637 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -9.952 -5.536 2.511 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -9.170 -6.281 1.096 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -6.421 -4.953 1.598 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -7.191 -5.035 -0.004 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -6.707 -3.461 0.670 1.00 1.16 H new ATOM 1972 N TRP A 126 -10.605 -0.770 -0.482 1.00 0.48 N ATOM 1973 CA TRP A 126 -11.651 -0.009 -1.181 1.00 0.48 C ATOM 1974 C TRP A 126 -11.050 0.506 -2.482 1.00 0.47 C ATOM 1975 O TRP A 126 -11.564 0.240 -3.569 1.00 0.48 O ATOM 1976 CB TRP A 126 -12.188 1.228 -0.415 1.00 0.52 C ATOM 1977 CG TRP A 126 -12.550 1.053 1.023 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -11.913 1.620 2.084 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -13.652 0.323 1.562 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -12.525 1.255 3.256 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -13.600 0.460 2.961 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -14.667 -0.447 1.002 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -14.529 -0.143 3.802 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -15.590 -1.047 1.837 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -15.513 -0.896 3.224 1.00 3.03 C ATOM 0 H TRP A 126 -10.381 -0.436 0.456 1.00 0.48 H new ATOM 0 HA TRP A 126 -12.491 -0.692 -1.308 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -11.435 2.014 -0.478 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -13.071 1.590 -0.941 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -11.050 2.265 2.013 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -12.228 1.530 4.192 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -14.732 -0.574 -0.069 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -14.475 -0.021 4.874 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -16.384 -1.642 1.411 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -16.245 -1.383 3.851 1.00 3.03 H new ATOM 1996 N PRO A 127 -9.927 1.257 -2.374 1.00 0.50 N ATOM 1997 CA PRO A 127 -9.227 1.815 -3.526 1.00 0.54 C ATOM 1998 C PRO A 127 -9.038 0.787 -4.631 1.00 0.53 C ATOM 1999 O PRO A 127 -9.374 1.044 -5.789 1.00 0.56 O ATOM 2000 CB PRO A 127 -7.866 2.251 -2.958 1.00 0.61 C ATOM 2001 CG PRO A 127 -7.820 1.719 -1.568 1.00 0.61 C ATOM 2002 CD PRO A 127 -9.241 1.623 -1.126 1.00 0.55 C ATOM 0 HA PRO A 127 -9.785 2.632 -3.982 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -7.046 1.853 -3.557 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -7.768 3.337 -2.965 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -7.334 0.744 -1.538 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -7.250 2.380 -0.914 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -9.377 0.870 -0.350 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -9.607 2.567 -0.721 1.00 0.55 H new ATOM 2010 N LEU A 128 -8.509 -0.385 -4.276 1.00 0.53 N ATOM 2011 CA LEU A 128 -8.301 -1.439 -5.260 1.00 0.56 C ATOM 2012 C LEU A 128 -9.624 -1.874 -5.852 1.00 0.54 C ATOM 2013 O LEU A 128 -9.724 -2.153 -7.045 1.00 0.61 O ATOM 2014 CB LEU A 128 -7.616 -2.663 -4.656 1.00 0.63 C ATOM 2015 CG LEU A 128 -7.404 -3.810 -5.665 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -6.168 -4.620 -5.336 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -8.622 -4.722 -5.706 1.00 1.55 C ATOM 0 H LEU A 128 -8.221 -0.623 -3.327 1.00 0.53 H new ATOM 0 HA LEU A 128 -7.655 -1.023 -6.033 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -6.650 -2.365 -4.249 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -8.214 -3.030 -3.822 1.00 0.63 H new ATOM 0 HG LEU A 128 -7.263 -3.356 -6.646 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -6.051 -5.419 -6.068 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -5.291 -3.973 -5.362 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -6.271 -5.052 -4.341 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -8.452 -5.524 -6.424 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -8.790 -5.149 -4.717 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -9.498 -4.146 -6.006 1.00 1.55 H new ATOM 2029 N PHE A 129 -10.636 -1.942 -5.003 1.00 0.50 N ATOM 2030 CA PHE A 129 -11.954 -2.355 -5.437 1.00 0.51 C ATOM 2031 C PHE A 129 -12.453 -1.403 -6.525 1.00 0.53 C ATOM 2032 O PHE A 129 -13.387 -1.709 -7.260 1.00 0.70 O ATOM 2033 CB PHE A 129 -12.910 -2.399 -4.242 1.00 0.49 C ATOM 2034 CG PHE A 129 -14.277 -2.952 -4.561 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -15.245 -2.150 -5.155 1.00 0.62 C ATOM 2036 CD2 PHE A 129 -14.596 -4.266 -4.261 1.00 0.60 C ATOM 2037 CE1 PHE A 129 -16.499 -2.657 -5.443 1.00 0.73 C ATOM 2038 CE2 PHE A 129 -15.847 -4.775 -4.547 1.00 0.71 C ATOM 2039 CZ PHE A 129 -16.794 -3.973 -5.162 1.00 0.75 C ATOM 0 H PHE A 129 -10.567 -1.716 -4.011 1.00 0.50 H new ATOM 0 HA PHE A 129 -11.908 -3.359 -5.858 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -12.461 -3.004 -3.454 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -13.023 -1.390 -3.844 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -15.016 -1.122 -5.394 1.00 0.62 H new ATOM 0 HD2 PHE A 129 -13.856 -4.901 -3.797 1.00 0.60 H new ATOM 0 HE1 PHE A 129 -17.248 -2.020 -5.889 1.00 0.73 H new ATOM 0 HE2 PHE A 129 -16.087 -5.797 -4.292 1.00 0.71 H new ATOM 0 HZ PHE A 129 -17.761 -4.378 -5.421 1.00 0.75 H new ATOM 2049 N GLU A 130 -11.800 -0.250 -6.634 1.00 0.43 N ATOM 2050 CA GLU A 130 -12.156 0.743 -7.644 1.00 0.49 C ATOM 2051 C GLU A 130 -11.261 0.611 -8.877 1.00 0.53 C ATOM 2052 O GLU A 130 -11.745 0.630 -10.010 1.00 0.68 O ATOM 2053 CB GLU A 130 -12.049 2.156 -7.065 1.00 0.54 C ATOM 2054 CG GLU A 130 -12.334 3.258 -8.076 1.00 0.99 C ATOM 2055 CD GLU A 130 -13.752 3.218 -8.617 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -14.535 2.358 -8.160 1.00 2.40 O ATOM 2057 OE2 GLU A 130 -14.080 4.038 -9.499 1.00 2.04 O ATOM 0 H GLU A 130 -11.020 0.021 -6.035 1.00 0.43 H new ATOM 0 HA GLU A 130 -13.188 0.563 -7.946 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -12.746 2.251 -6.232 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -11.047 2.298 -6.660 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -12.157 4.227 -7.608 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -11.632 3.172 -8.906 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.955 0.472 -8.650 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.999 0.329 -9.747 1.00 0.56 C ATOM 2066 C ILE A 131 -9.210 -0.991 -10.481 1.00 0.52 C ATOM 2067 O ILE A 131 -8.821 -1.137 -11.641 1.00 0.64 O ATOM 2068 CB ILE A 131 -7.539 0.405 -9.250 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -7.229 -0.747 -8.291 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -7.282 1.746 -8.577 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -5.770 -0.834 -7.898 1.00 1.41 C ATOM 0 H ILE A 131 -9.536 0.455 -7.720 1.00 0.48 H new ATOM 0 HA ILE A 131 -9.176 1.160 -10.430 1.00 0.56 H new ATOM 0 HB ILE A 131 -6.877 0.314 -10.111 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -7.833 -0.631 -7.391 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -7.528 -1.686 -8.757 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -6.249 1.787 -8.231 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -7.458 2.551 -9.291 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -7.954 1.861 -7.727 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -5.626 -1.673 -7.218 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -5.161 -0.981 -8.790 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -5.471 0.090 -7.403 1.00 1.41 H new ATOM 2083 N ALA A 132 -9.837 -1.949 -9.798 1.00 0.53 N ATOM 2084 CA ALA A 132 -10.110 -3.262 -10.376 1.00 0.58 C ATOM 2085 C ALA A 132 -10.948 -4.124 -9.428 1.00 0.56 C ATOM 2086 O ALA A 132 -10.409 -4.953 -8.695 1.00 0.63 O ATOM 2087 CB ALA A 132 -8.806 -3.970 -10.719 1.00 0.73 C ATOM 0 H ALA A 132 -10.166 -1.838 -8.839 1.00 0.53 H new ATOM 0 HA ALA A 132 -10.684 -3.113 -11.290 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -9.025 -4.947 -11.149 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -8.247 -3.373 -11.440 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -8.212 -4.097 -9.814 1.00 0.73 H new ATOM 2093 N PRO A 133 -12.283 -3.943 -9.433 1.00 0.63 N ATOM 2094 CA PRO A 133 -13.191 -4.715 -8.575 1.00 0.66 C ATOM 2095 C PRO A 133 -13.448 -6.118 -9.112 1.00 0.88 C ATOM 2096 O PRO A 133 -14.432 -6.760 -8.745 1.00 1.24 O ATOM 2097 CB PRO A 133 -14.482 -3.902 -8.614 1.00 0.79 C ATOM 2098 CG PRO A 133 -14.460 -3.201 -9.930 1.00 0.82 C ATOM 2099 CD PRO A 133 -13.011 -2.977 -10.280 1.00 0.81 C ATOM 0 HA PRO A 133 -12.780 -4.858 -7.576 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -15.357 -4.546 -8.525 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -14.525 -3.191 -7.789 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -14.954 -3.800 -10.695 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -14.995 -2.253 -9.872 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -12.824 -3.155 -11.339 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -12.704 -1.952 -10.070 1.00 0.81 H new ATOM 2107 N GLU A 134 -12.568 -6.588 -9.989 1.00 0.90 N ATOM 2108 CA GLU A 134 -12.712 -7.913 -10.582 1.00 1.12 C ATOM 2109 C GLU A 134 -11.682 -8.883 -10.018 1.00 1.08 C ATOM 2110 O GLU A 134 -11.716 -10.078 -10.312 1.00 1.25 O ATOM 2111 CB GLU A 134 -12.568 -7.832 -12.103 1.00 1.34 C ATOM 2112 CG GLU A 134 -13.600 -6.936 -12.768 1.00 1.87 C ATOM 2113 CD GLU A 134 -13.430 -6.863 -14.274 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -12.504 -7.516 -14.800 1.00 2.50 O ATOM 2115 OE2 GLU A 134 -14.223 -6.154 -14.927 1.00 2.61 O ATOM 0 H GLU A 134 -11.747 -6.071 -10.305 1.00 0.90 H new ATOM 0 HA GLU A 134 -13.706 -8.284 -10.333 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -11.571 -7.465 -12.346 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -12.648 -8.836 -12.521 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -14.599 -7.306 -12.537 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -13.527 -5.932 -12.349 1.00 1.87 H new ATOM 2122 N LEU A 135 -10.764 -8.362 -9.211 1.00 0.99 N ATOM 2123 CA LEU A 135 -9.724 -9.183 -8.611 1.00 1.03 C ATOM 2124 C LEU A 135 -10.337 -10.211 -7.665 1.00 1.50 C ATOM 2125 O LEU A 135 -10.627 -9.907 -6.511 1.00 2.32 O ATOM 2126 CB LEU A 135 -8.727 -8.302 -7.848 1.00 1.00 C ATOM 2127 CG LEU A 135 -7.303 -8.862 -7.728 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -7.311 -10.279 -7.184 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -6.593 -8.808 -9.072 1.00 2.26 C ATOM 0 H LEU A 135 -10.721 -7.375 -8.959 1.00 0.99 H new ATOM 0 HA LEU A 135 -9.197 -9.708 -9.407 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -8.676 -7.331 -8.341 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -9.116 -8.130 -6.844 1.00 1.00 H new ATOM 0 HG LEU A 135 -6.757 -8.237 -7.021 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -6.287 -10.647 -7.111 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -7.771 -10.287 -6.196 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -7.881 -10.923 -7.854 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -5.585 -9.209 -8.967 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -7.146 -9.402 -9.800 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -6.539 -7.774 -9.413 1.00 2.26 H new ATOM 2141 N VAL A 136 -10.529 -11.428 -8.161 1.00 1.65 N ATOM 2142 CA VAL A 136 -11.105 -12.498 -7.359 1.00 2.11 C ATOM 2143 C VAL A 136 -10.240 -13.746 -7.410 1.00 1.98 C ATOM 2144 O VAL A 136 -10.251 -14.472 -8.405 1.00 2.82 O ATOM 2145 CB VAL A 136 -12.524 -12.863 -7.832 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -13.043 -14.071 -7.062 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -13.463 -11.675 -7.676 1.00 3.66 C ATOM 0 H VAL A 136 -10.293 -11.697 -9.116 1.00 1.65 H new ATOM 0 HA VAL A 136 -11.155 -12.127 -6.335 1.00 2.11 H new ATOM 0 HB VAL A 136 -12.483 -13.123 -8.890 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -14.047 -14.318 -7.407 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -12.382 -14.921 -7.230 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -13.072 -13.839 -5.997 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -14.461 -11.953 -8.016 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -13.506 -11.380 -6.628 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -13.096 -10.840 -8.273 1.00 3.66 H new ATOM 2157 N PHE A 137 -9.505 -14.000 -6.329 1.00 1.34 N ATOM 2158 CA PHE A 137 -8.641 -15.186 -6.262 1.00 1.66 C ATOM 2159 C PHE A 137 -7.772 -15.254 -5.000 1.00 1.18 C ATOM 2160 O PHE A 137 -7.557 -16.344 -4.479 1.00 1.57 O ATOM 2161 CB PHE A 137 -7.725 -15.260 -7.480 1.00 2.23 C ATOM 2162 CG PHE A 137 -7.087 -16.609 -7.671 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -7.866 -17.740 -7.863 1.00 3.49 C ATOM 2164 CD2 PHE A 137 -5.708 -16.744 -7.668 1.00 3.88 C ATOM 2165 CE1 PHE A 137 -7.282 -18.978 -8.046 1.00 4.44 C ATOM 2166 CE2 PHE A 137 -5.119 -17.980 -7.850 1.00 4.85 C ATOM 2167 CZ PHE A 137 -5.906 -19.099 -8.040 1.00 5.09 C ATOM 0 H PHE A 137 -9.487 -13.412 -5.496 1.00 1.34 H new ATOM 0 HA PHE A 137 -9.327 -16.033 -6.237 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -8.299 -15.009 -8.372 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -6.942 -14.508 -7.382 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -8.942 -17.652 -7.870 1.00 3.49 H new ATOM 0 HD2 PHE A 137 -5.087 -15.873 -7.522 1.00 3.88 H new ATOM 0 HE1 PHE A 137 -7.901 -19.851 -8.194 1.00 4.44 H new ATOM 0 HE2 PHE A 137 -4.043 -18.071 -7.844 1.00 4.85 H new ATOM 0 HZ PHE A 137 -5.447 -20.066 -8.183 1.00 5.09 H new ATOM 2177 N PRO A 138 -7.222 -14.118 -4.510 1.00 0.88 N ATOM 2178 CA PRO A 138 -6.340 -14.105 -3.324 1.00 0.92 C ATOM 2179 C PRO A 138 -7.042 -14.546 -2.036 1.00 1.20 C ATOM 2180 O PRO A 138 -7.188 -13.763 -1.096 1.00 1.94 O ATOM 2181 CB PRO A 138 -5.915 -12.638 -3.221 1.00 1.24 C ATOM 2182 CG PRO A 138 -7.012 -11.904 -3.897 1.00 1.68 C ATOM 2183 CD PRO A 138 -7.361 -12.762 -5.070 1.00 1.44 C ATOM 0 HA PRO A 138 -5.514 -14.808 -3.436 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -5.805 -12.325 -2.183 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -4.956 -12.464 -3.710 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -7.867 -11.768 -3.235 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -6.692 -10.911 -4.212 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -8.372 -12.571 -5.429 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -6.688 -12.597 -5.911 1.00 1.44 H new ATOM 2191 N ASP A 139 -7.455 -15.809 -2.004 1.00 1.07 N ATOM 2192 CA ASP A 139 -8.132 -16.394 -0.851 1.00 1.62 C ATOM 2193 C ASP A 139 -9.159 -15.449 -0.251 1.00 1.65 C ATOM 2194 O ASP A 139 -9.246 -15.303 0.969 1.00 2.28 O ATOM 2195 CB ASP A 139 -7.117 -16.798 0.214 1.00 2.26 C ATOM 2196 CG ASP A 139 -6.240 -17.954 -0.229 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -6.788 -19.033 -0.533 1.00 3.20 O ATOM 2198 OD2 ASP A 139 -5.004 -17.779 -0.269 1.00 3.67 O ATOM 0 H ASP A 139 -7.329 -16.459 -2.780 1.00 1.07 H new ATOM 0 HA ASP A 139 -8.661 -17.279 -1.205 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -6.488 -15.941 0.456 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -7.644 -17.075 1.127 1.00 2.26 H new ATOM 2203 N GLY A 140 -9.940 -14.811 -1.109 1.00 1.25 N ATOM 2204 CA GLY A 140 -10.951 -13.895 -0.626 1.00 1.72 C ATOM 2205 C GLY A 140 -11.430 -12.946 -1.691 1.00 1.31 C ATOM 2206 O GLY A 140 -11.904 -11.856 -1.385 1.00 1.85 O ATOM 0 H GLY A 140 -9.893 -14.910 -2.123 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -11.799 -14.464 -0.244 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -10.548 -13.323 0.210 1.00 1.72 H new ATOM 2210 N GLU A 141 -11.309 -13.362 -2.946 1.00 0.75 N ATOM 2211 CA GLU A 141 -11.733 -12.543 -4.069 1.00 0.94 C ATOM 2212 C GLU A 141 -11.290 -11.094 -3.893 1.00 0.82 C ATOM 2213 O GLU A 141 -10.163 -10.827 -3.475 1.00 1.19 O ATOM 2214 CB GLU A 141 -13.257 -12.632 -4.273 1.00 1.56 C ATOM 2215 CG GLU A 141 -14.084 -12.605 -2.996 1.00 1.38 C ATOM 2216 CD GLU A 141 -15.571 -12.755 -3.262 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -15.960 -12.817 -4.448 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -16.348 -12.810 -2.284 1.00 2.47 O ATOM 0 H GLU A 141 -10.918 -14.267 -3.210 1.00 0.75 H new ATOM 0 HA GLU A 141 -11.250 -12.933 -4.965 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -13.571 -11.804 -4.908 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -13.482 -13.551 -4.813 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -13.754 -13.407 -2.336 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -13.905 -11.667 -2.471 1.00 1.38 H new ATOM 2225 N MET A 142 -12.179 -10.167 -4.220 1.00 0.57 N ATOM 2226 CA MET A 142 -11.890 -8.747 -4.107 1.00 0.54 C ATOM 2227 C MET A 142 -11.428 -8.411 -2.699 1.00 0.58 C ATOM 2228 O MET A 142 -11.869 -9.028 -1.736 1.00 0.92 O ATOM 2229 CB MET A 142 -13.145 -7.959 -4.462 1.00 0.57 C ATOM 2230 CG MET A 142 -13.934 -8.619 -5.578 1.00 0.67 C ATOM 2231 SD MET A 142 -15.420 -7.705 -6.029 1.00 1.32 S ATOM 2232 CE MET A 142 -16.119 -8.787 -7.274 1.00 1.58 C ATOM 0 H MET A 142 -13.114 -10.377 -4.569 1.00 0.57 H new ATOM 0 HA MET A 142 -11.088 -8.480 -4.795 1.00 0.54 H new ATOM 0 HB2 MET A 142 -13.776 -7.865 -3.578 1.00 0.57 H new ATOM 0 HB3 MET A 142 -12.866 -6.949 -4.763 1.00 0.57 H new ATOM 0 HG2 MET A 142 -13.296 -8.719 -6.456 1.00 0.67 H new ATOM 0 HG3 MET A 142 -14.214 -9.627 -5.270 1.00 0.67 H new ATOM 0 HE1 MET A 142 -16.954 -8.286 -7.764 1.00 1.58 H new ATOM 0 HE2 MET A 142 -15.357 -9.030 -8.015 1.00 1.58 H new ATOM 0 HE3 MET A 142 -16.472 -9.704 -6.802 1.00 1.58 H new ATOM 2242 N LEU A 143 -10.534 -7.442 -2.575 1.00 0.55 N ATOM 2243 CA LEU A 143 -10.031 -7.060 -1.261 1.00 0.62 C ATOM 2244 C LEU A 143 -11.159 -6.471 -0.434 1.00 0.56 C ATOM 2245 O LEU A 143 -11.404 -6.887 0.699 1.00 0.60 O ATOM 2246 CB LEU A 143 -8.903 -6.032 -1.356 1.00 0.76 C ATOM 2247 CG LEU A 143 -8.004 -6.095 -2.585 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -6.745 -5.279 -2.337 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -7.646 -7.533 -2.945 1.00 1.70 C ATOM 0 H LEU A 143 -10.145 -6.911 -3.355 1.00 0.55 H new ATOM 0 HA LEU A 143 -9.636 -7.960 -0.789 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -9.348 -5.038 -1.314 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -8.274 -6.138 -0.472 1.00 0.76 H new ATOM 0 HG LEU A 143 -8.549 -5.674 -3.430 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -6.103 -5.325 -3.216 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -7.017 -4.242 -2.139 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -6.212 -5.685 -1.477 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -7.004 -7.539 -3.826 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -7.121 -7.997 -2.110 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -8.557 -8.093 -3.156 1.00 1.70 H new ATOM 2261 N ARG A 144 -11.852 -5.502 -1.025 1.00 0.53 N ATOM 2262 CA ARG A 144 -12.970 -4.844 -0.375 1.00 0.52 C ATOM 2263 C ARG A 144 -13.976 -5.864 0.073 1.00 0.61 C ATOM 2264 O ARG A 144 -14.795 -5.618 0.945 1.00 0.69 O ATOM 2265 CB ARG A 144 -13.661 -3.877 -1.323 1.00 0.53 C ATOM 2266 CG ARG A 144 -14.831 -3.159 -0.678 1.00 0.58 C ATOM 2267 CD ARG A 144 -15.517 -2.202 -1.639 1.00 0.85 C ATOM 2268 NE ARG A 144 -16.722 -1.615 -1.058 1.00 1.18 N ATOM 2269 CZ ARG A 144 -17.482 -0.720 -1.683 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -17.148 -0.290 -2.893 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -18.575 -0.251 -1.096 1.00 2.16 N ATOM 0 H ARG A 144 -11.652 -5.155 -1.963 1.00 0.53 H new ATOM 0 HA ARG A 144 -12.578 -4.294 0.481 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -12.938 -3.141 -1.675 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -14.013 -4.422 -2.199 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -15.554 -3.893 -0.321 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -14.480 -2.607 0.194 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -14.824 -1.408 -1.916 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -15.777 -2.732 -2.555 1.00 0.85 H new ATOM 0 HE ARG A 144 -16.996 -1.908 -0.120 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -16.306 -0.646 -3.346 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -17.733 0.396 -3.370 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -18.833 -0.577 -0.165 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -19.157 0.435 -1.576 1.00 2.16 H new ATOM 2285 N GLN A 145 -13.921 -7.009 -0.553 1.00 0.76 N ATOM 2286 CA GLN A 145 -14.829 -8.069 -0.234 1.00 0.92 C ATOM 2287 C GLN A 145 -14.646 -8.502 1.203 1.00 0.89 C ATOM 2288 O GLN A 145 -15.574 -8.468 2.021 1.00 0.97 O ATOM 2289 CB GLN A 145 -14.566 -9.244 -1.151 1.00 1.21 C ATOM 2290 CG GLN A 145 -15.810 -10.011 -1.426 1.00 0.96 C ATOM 2291 CD GLN A 145 -16.781 -9.215 -2.282 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -16.322 -8.059 -2.775 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -17.917 -9.633 -2.511 1.00 1.87 N flip ATOM 0 H GLN A 145 -13.252 -7.229 -1.291 1.00 0.76 H new ATOM 0 HA GLN A 145 -15.851 -7.714 -0.368 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -14.143 -8.886 -2.090 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -13.825 -9.902 -0.697 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -15.559 -10.944 -1.931 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -16.289 -10.278 -0.484 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -18.224 -10.521 -2.113 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -18.551 -9.091 -3.098 1.00 1.87 H new ATOM 2302 N ILE A 146 -13.425 -8.897 1.494 1.00 0.85 N ATOM 2303 CA ILE A 146 -13.052 -9.345 2.810 1.00 0.90 C ATOM 2304 C ILE A 146 -12.982 -8.172 3.760 1.00 0.85 C ATOM 2305 O ILE A 146 -13.016 -8.337 4.977 1.00 1.01 O ATOM 2306 CB ILE A 146 -11.668 -9.986 2.776 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -11.493 -10.864 1.541 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -11.414 -10.786 4.040 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -10.549 -10.263 0.524 1.00 1.06 C ATOM 0 H ILE A 146 -12.662 -8.915 0.817 1.00 0.85 H new ATOM 0 HA ILE A 146 -13.801 -10.064 3.142 1.00 0.90 H new ATOM 0 HB ILE A 146 -10.933 -9.183 2.722 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -11.118 -11.841 1.846 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -12.465 -11.027 1.076 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -10.421 -11.234 3.994 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -11.475 -10.127 4.906 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -12.163 -11.573 4.129 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -10.463 -10.931 -0.333 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -10.935 -9.298 0.194 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -9.567 -10.125 0.976 1.00 1.06 H new ATOM 2321 N LEU A 147 -12.851 -6.982 3.192 1.00 0.72 N ATOM 2322 CA LEU A 147 -12.740 -5.783 3.994 1.00 0.75 C ATOM 2323 C LEU A 147 -14.117 -5.262 4.417 1.00 0.71 C ATOM 2324 O LEU A 147 -14.378 -5.052 5.594 1.00 0.81 O ATOM 2325 CB LEU A 147 -11.982 -4.713 3.200 1.00 0.92 C ATOM 2326 CG LEU A 147 -12.765 -3.430 2.976 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -12.835 -2.628 4.264 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -12.185 -2.600 1.848 1.00 1.66 C ATOM 0 H LEU A 147 -12.820 -6.826 2.184 1.00 0.72 H new ATOM 0 HA LEU A 147 -12.190 -6.022 4.904 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -11.058 -4.474 3.726 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -11.700 -5.127 2.232 1.00 0.92 H new ATOM 0 HG LEU A 147 -13.777 -3.705 2.678 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -13.398 -1.711 4.091 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -13.331 -3.219 5.034 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -11.826 -2.378 4.592 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -12.776 -1.693 1.723 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -11.155 -2.333 2.085 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -12.206 -3.177 0.924 1.00 1.66 H new ATOM 2340 N HIS A 148 -14.968 -5.023 3.433 1.00 0.71 N ATOM 2341 CA HIS A 148 -16.300 -4.488 3.665 1.00 0.76 C ATOM 2342 C HIS A 148 -17.018 -5.265 4.748 1.00 0.83 C ATOM 2343 O HIS A 148 -17.741 -4.697 5.566 1.00 0.92 O ATOM 2344 CB HIS A 148 -17.103 -4.540 2.369 1.00 0.79 C ATOM 2345 CG HIS A 148 -18.371 -3.738 2.402 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -19.250 -3.681 1.341 1.00 1.04 N ATOM 2347 CD2 HIS A 148 -18.909 -2.960 3.374 1.00 1.02 C ATOM 2348 CE1 HIS A 148 -20.271 -2.903 1.658 1.00 1.20 C ATOM 2349 NE2 HIS A 148 -20.087 -2.454 2.885 1.00 1.19 N ATOM 0 H HIS A 148 -14.755 -5.194 2.450 1.00 0.71 H new ATOM 0 HA HIS A 148 -16.204 -3.454 3.997 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -16.478 -4.179 1.552 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -17.348 -5.579 2.147 1.00 0.79 H new ATOM 0 HD2 HIS A 148 -18.488 -2.773 4.351 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -21.112 -2.674 1.021 1.00 1.20 H new ATOM 0 HE2 HIS A 148 -20.719 -1.831 3.389 1.00 1.19 H new ATOM 2358 N THR A 149 -16.822 -6.572 4.740 1.00 0.86 N ATOM 2359 CA THR A 149 -17.467 -7.429 5.717 1.00 0.97 C ATOM 2360 C THR A 149 -16.624 -7.602 6.979 1.00 1.00 C ATOM 2361 O THR A 149 -17.169 -7.793 8.066 1.00 1.13 O ATOM 2362 CB THR A 149 -17.755 -8.799 5.098 1.00 1.02 C ATOM 2363 OG1 THR A 149 -16.550 -9.440 4.719 1.00 1.35 O ATOM 2364 CG2 THR A 149 -18.641 -8.728 3.874 1.00 1.48 C ATOM 0 H THR A 149 -16.225 -7.060 4.072 1.00 0.86 H new ATOM 0 HA THR A 149 -18.400 -6.947 6.008 1.00 0.97 H new ATOM 0 HB THR A 149 -18.277 -9.362 5.872 1.00 1.02 H new ATOM 0 HG1 THR A 149 -16.271 -9.117 3.837 1.00 1.35 H new ATOM 0 HG21 THR A 149 -18.805 -9.733 3.485 1.00 1.48 H new ATOM 0 HG22 THR A 149 -19.598 -8.282 4.143 1.00 1.48 H new ATOM 0 HG23 THR A 149 -18.158 -8.118 3.110 1.00 1.48 H new ATOM 2372 N ARG A 150 -15.299 -7.579 6.836 1.00 0.91 N ATOM 2373 CA ARG A 150 -14.424 -7.789 7.990 1.00 0.97 C ATOM 2374 C ARG A 150 -13.528 -6.596 8.347 1.00 0.97 C ATOM 2375 O ARG A 150 -12.491 -6.799 8.978 1.00 1.16 O ATOM 2376 CB ARG A 150 -13.552 -9.022 7.750 1.00 1.01 C ATOM 2377 CG ARG A 150 -14.340 -10.256 7.338 1.00 1.12 C ATOM 2378 CD ARG A 150 -15.360 -10.653 8.395 1.00 1.43 C ATOM 2379 NE ARG A 150 -14.728 -11.062 9.646 1.00 1.84 N ATOM 2380 CZ ARG A 150 -13.944 -12.130 9.768 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -13.700 -12.902 8.718 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -13.406 -12.429 10.942 1.00 2.86 N ATOM 0 H ARG A 150 -14.815 -7.421 5.952 1.00 0.91 H new ATOM 0 HA ARG A 150 -15.089 -7.926 8.842 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -12.820 -8.793 6.975 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -12.994 -9.245 8.660 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -14.850 -10.063 6.394 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -13.654 -11.085 7.166 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -16.029 -9.814 8.585 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -15.974 -11.470 8.016 1.00 1.43 H new ATOM 0 HE ARG A 150 -14.898 -10.495 10.477 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -14.114 -12.678 7.813 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -13.098 -13.720 8.815 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -13.593 -11.840 11.753 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -12.805 -13.248 11.034 1.00 2.86 H new ATOM 2396 N ALA A 151 -13.875 -5.361 7.969 1.00 0.88 N ATOM 2397 CA ALA A 151 -13.010 -4.244 8.311 1.00 0.91 C ATOM 2398 C ALA A 151 -13.802 -2.977 8.543 1.00 0.92 C ATOM 2399 O ALA A 151 -14.239 -2.699 9.660 1.00 1.18 O ATOM 2400 CB ALA A 151 -11.972 -4.029 7.221 1.00 0.89 C ATOM 0 H ALA A 151 -14.717 -5.121 7.446 1.00 0.88 H new ATOM 0 HA ALA A 151 -12.501 -4.490 9.243 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -11.331 -3.190 7.490 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -11.366 -4.929 7.113 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -12.474 -3.815 6.278 1.00 0.89 H new ATOM 2406 N PHE A 152 -13.970 -2.198 7.487 1.00 0.79 N ATOM 2407 CA PHE A 152 -14.694 -0.949 7.590 1.00 0.99 C ATOM 2408 C PHE A 152 -15.919 -0.929 6.686 1.00 0.88 C ATOM 2409 O PHE A 152 -16.450 -1.975 6.313 1.00 1.32 O ATOM 2410 CB PHE A 152 -13.775 0.211 7.234 1.00 1.26 C ATOM 2411 CG PHE A 152 -12.704 0.490 8.253 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -11.752 -0.471 8.552 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -12.648 1.709 8.912 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -10.764 -0.222 9.487 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -11.664 1.963 9.848 1.00 3.27 C ATOM 2416 CZ PHE A 152 -10.729 1.021 10.138 1.00 3.92 C ATOM 0 H PHE A 152 -13.615 -2.410 6.554 1.00 0.79 H new ATOM 0 HA PHE A 152 -15.037 -0.848 8.620 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -13.301 0.002 6.275 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -14.378 1.110 7.103 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -11.782 -1.426 8.049 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -13.383 2.469 8.691 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -10.026 -0.977 9.714 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -11.638 2.917 10.353 1.00 3.27 H new ATOM 0 HZ PHE A 152 -9.960 1.228 10.868 1.00 3.92 H new ATOM 2426 N ASP A 153 -16.356 0.278 6.336 1.00 0.92 N ATOM 2427 CA ASP A 153 -17.513 0.454 5.472 1.00 1.10 C ATOM 2428 C ASP A 153 -17.378 1.751 4.664 1.00 1.14 C ATOM 2429 O ASP A 153 -17.620 2.840 5.181 1.00 1.88 O ATOM 2430 CB ASP A 153 -18.800 0.483 6.301 1.00 1.43 C ATOM 2431 CG ASP A 153 -20.051 0.575 5.444 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -19.925 0.577 4.201 1.00 2.58 O ATOM 2433 OD2 ASP A 153 -21.158 0.641 6.019 1.00 2.80 O ATOM 0 H ASP A 153 -15.922 1.150 6.640 1.00 0.92 H new ATOM 0 HA ASP A 153 -17.562 -0.389 4.782 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -18.851 -0.416 6.915 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -18.769 1.333 6.982 1.00 1.43 H new ATOM 2438 N LYS A 154 -16.982 1.608 3.397 1.00 0.75 N ATOM 2439 CA LYS A 154 -16.787 2.729 2.472 1.00 0.78 C ATOM 2440 C LYS A 154 -16.295 3.990 3.184 1.00 0.91 C ATOM 2441 O LYS A 154 -17.092 4.793 3.670 1.00 1.80 O ATOM 2442 CB LYS A 154 -18.083 3.007 1.704 1.00 0.89 C ATOM 2443 CG LYS A 154 -17.897 3.884 0.473 1.00 0.86 C ATOM 2444 CD LYS A 154 -17.890 5.366 0.818 1.00 1.03 C ATOM 2445 CE LYS A 154 -19.218 5.812 1.411 1.00 1.54 C ATOM 2446 NZ LYS A 154 -20.352 5.581 0.474 1.00 2.17 N ATOM 0 H LYS A 154 -16.785 0.699 2.978 1.00 0.75 H new ATOM 0 HA LYS A 154 -16.007 2.443 1.766 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -18.523 2.058 1.398 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -18.795 3.487 2.375 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -16.960 3.623 -0.019 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -18.697 3.682 -0.239 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -17.088 5.571 1.527 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -17.679 5.948 -0.079 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -19.400 5.272 2.340 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -19.165 6.871 1.663 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -21.188 6.104 0.805 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -20.090 5.913 -0.476 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -20.571 4.565 0.438 1.00 2.17 H new ATOM 2460 N LEU A 155 -14.972 4.163 3.230 1.00 0.61 N ATOM 2461 CA LEU A 155 -14.373 5.334 3.872 1.00 0.61 C ATOM 2462 C LEU A 155 -14.625 6.589 3.040 1.00 0.68 C ATOM 2463 O LEU A 155 -15.545 6.628 2.224 1.00 0.89 O ATOM 2464 CB LEU A 155 -12.863 5.140 4.065 1.00 0.60 C ATOM 2465 CG LEU A 155 -12.439 3.920 4.891 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -10.941 3.956 5.152 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -13.210 3.858 6.202 1.00 1.23 C ATOM 0 H LEU A 155 -14.298 3.509 2.832 1.00 0.61 H new ATOM 0 HA LEU A 155 -14.840 5.453 4.850 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -12.398 5.067 3.082 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -12.461 6.034 4.542 1.00 0.60 H new ATOM 0 HG LEU A 155 -12.672 3.021 4.321 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -10.653 3.084 5.739 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -10.406 3.947 4.202 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -10.689 4.863 5.701 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -12.892 2.984 6.770 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -13.014 4.759 6.782 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -14.277 3.786 5.993 1.00 1.23 H new ATOM 2479 N ASN A 156 -13.794 7.611 3.238 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.921 8.860 2.496 1.00 0.77 C ATOM 2481 C ASN A 156 -12.652 9.123 1.701 1.00 0.65 C ATOM 2482 O ASN A 156 -11.570 9.244 2.277 1.00 0.69 O ATOM 2483 CB ASN A 156 -14.188 10.028 3.452 1.00 1.04 C ATOM 2484 CG ASN A 156 -15.522 9.920 4.173 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -16.330 8.933 3.803 1.00 2.44 O flip ATOM 2486 ND2 ASN A 156 -15.827 10.730 5.048 1.00 2.12 N flip ATOM 0 H ASN A 156 -13.025 7.596 3.908 1.00 0.66 H new ATOM 0 HA ASN A 156 -14.763 8.772 1.809 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -13.387 10.076 4.189 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -14.160 10.962 2.891 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -15.177 11.474 5.303 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -16.729 10.657 5.518 1.00 2.12 H new ATOM 2493 N LYS A 157 -12.783 9.208 0.379 1.00 0.64 N ATOM 2494 CA LYS A 157 -11.631 9.456 -0.481 1.00 0.64 C ATOM 2495 C LYS A 157 -10.896 10.713 -0.034 1.00 0.68 C ATOM 2496 O LYS A 157 -11.250 11.825 -0.425 1.00 0.95 O ATOM 2497 CB LYS A 157 -12.049 9.581 -1.949 1.00 0.79 C ATOM 2498 CG LYS A 157 -12.565 8.283 -2.557 1.00 0.96 C ATOM 2499 CD LYS A 157 -13.931 7.903 -2.007 1.00 1.67 C ATOM 2500 CE LYS A 157 -14.428 6.595 -2.598 1.00 1.70 C ATOM 2501 NZ LYS A 157 -15.775 6.225 -2.079 1.00 2.51 N ATOM 0 H LYS A 157 -13.669 9.109 -0.116 1.00 0.64 H new ATOM 0 HA LYS A 157 -10.959 8.602 -0.393 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -12.824 10.343 -2.032 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -11.196 9.929 -2.531 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -12.626 8.389 -3.640 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -11.856 7.480 -2.355 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -13.875 7.815 -0.922 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -14.646 8.697 -2.226 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -14.468 6.680 -3.684 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -13.719 5.800 -2.367 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -16.077 5.327 -2.507 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -15.732 6.119 -1.045 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -16.458 6.971 -2.322 1.00 2.51 H new ATOM 2515 N TRP A 158 -9.877 10.514 0.796 1.00 0.73 N ATOM 2516 CA TRP A 158 -9.075 11.609 1.328 1.00 0.83 C ATOM 2517 C TRP A 158 -9.957 12.770 1.789 1.00 1.08 C ATOM 2518 O TRP A 158 -10.454 12.713 2.934 1.00 1.47 O ATOM 2519 CB TRP A 158 -8.068 12.089 0.278 1.00 0.85 C ATOM 2520 CG TRP A 158 -7.172 13.189 0.764 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -6.527 13.255 1.967 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -6.819 14.383 0.055 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -5.797 14.416 2.048 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -5.961 15.126 0.887 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -7.150 14.895 -1.203 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -5.427 16.352 0.499 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -6.617 16.113 -1.586 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -5.765 16.830 -0.737 1.00 2.95 C ATOM 2529 OXT TRP A 158 -10.142 13.725 1.005 1.00 1.75 O ATOM 0 H TRP A 158 -9.585 9.591 1.118 1.00 0.73 H new ATOM 0 HA TRP A 158 -8.531 11.236 2.196 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -7.455 11.245 -0.038 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -8.610 12.435 -0.602 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -6.583 12.504 2.741 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -5.226 14.703 2.843 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -7.809 14.350 -1.863 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -4.769 16.906 1.152 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -6.862 16.518 -2.557 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -5.367 17.779 -1.065 1.00 2.95 H new TER 2540 TRP A 158