USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=27 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 17 GLN : amide:sc= -3.7 X(o=-7.1,f=-7.2!) USER MOD Set 1.2: A 93 THR OG1 : rot -71:sc= -3.43! USER MOD Set 2.1: A 10 ASN : amide:sc= -12! C(o=-46!,f=-37!) USER MOD Set 2.2: A 48 GLN : amide:sc= -17.1! C(o=-46!,f=-33!) USER MOD Set 2.3: A 50 GLN : amide:sc= -17.1! C(o=-46!,f=-38!) USER MOD Single : A 1 THR N :NH3+ 132:sc= 0.0492 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00097 USER MOD Single : A 4 TYR OH : rot 180:sc= -3.32! USER MOD Single : A 9 SER OG : rot 164:sc= -1.72! USER MOD Single : A 13 SER OG : rot -180:sc= 0.775 USER MOD Single : A 19 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.26) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= -0.0226 (180deg=-0.178) USER MOD Single : A 31 SER OG : rot 93:sc= -1.57! USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 35 THR OG1 : rot 162:sc= -0.282 USER MOD Single : A 37 SER OG : rot -106:sc= 0.0795 USER MOD Single : A 38 SER OG : rot 180:sc= -0.155 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -138:sc= -4.51! USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.8!) USER MOD Single : A 62 THR OG1 : rot 80:sc= 1.57 USER MOD Single : A 63 SER OG : rot -30:sc= 0.419 USER MOD Single : A 71 ASN : amide:sc= -2.98! K(o=-3!,f=-0.6) USER MOD Single : A 72 HIS : no HD1:sc= -6.22! C(o=-6.2!,f=-11!) USER MOD Single : A 73 THR OG1 : rot -12:sc= 0.645 USER MOD Single : A 74 GLN : amide:sc= -4.06! C(o=-4.1!,f=-7.7!) USER MOD Single : A 79 GLN : amide:sc= -1.05! K(o=-1.1!,f=0) USER MOD Single : A 80 GLN : amide:sc= -9.43! C(o=-9.4!,f=-9.9!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -176:sc= -2.09 (180deg=-2.21) USER MOD Single : A 103 ASN : amide:sc= 0.0291 K(o=0.029,f=-0.83) USER MOD Single : A 107 ASN : amide:sc= -6.2! K(o=-6.2!,f=-0.32) USER MOD Single : A 108 THR OG1 : rot -80:sc= -3.97! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.615 K(o=-0.61,f=-2.9) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 176:sc= -4.12! (180deg=-4.27!) USER MOD Single : A 119 LYS NZ :NH3+ 166:sc= -0.0179 (180deg=-0.257) USER MOD Single : A 120 ASN : amide:sc= -5.8! C(o=-5.8!,f=-7.2!) USER MOD Single : A 124 MET CE :methyl -170:sc= -4.78! (180deg=-5.2!) USER MOD Single : A 142 MET CE :methyl -140:sc= -0.125 (180deg=-0.679) USER MOD Single : A 145 GLN : amide:sc= -7.54! C(o=-7.5!,f=-3.9!) USER MOD Single : A 148 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -113:sc= 0.408 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= 0.102 K(o=0.1,f=-3.3!) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.625 -13.107 -9.832 1.00 0.73 N ATOM 2 CA THR A 1 0.878 -12.661 -8.627 1.00 0.53 C ATOM 3 C THR A 1 0.854 -11.139 -8.530 1.00 0.47 C ATOM 4 O THR A 1 1.740 -10.460 -9.047 1.00 0.70 O ATOM 5 CB THR A 1 1.549 -13.263 -7.390 1.00 0.54 C ATOM 6 OG1 THR A 1 1.580 -14.678 -7.474 1.00 0.58 O ATOM 7 CG2 THR A 1 0.859 -12.899 -6.093 1.00 0.81 C ATOM 0 H1 THR A 1 2.300 -13.852 -9.566 1.00 0.73 H new ATOM 0 H2 THR A 1 0.957 -13.481 -10.536 1.00 0.73 H new ATOM 0 H3 THR A 1 2.141 -12.301 -10.239 1.00 0.73 H new ATOM 0 HA THR A 1 -0.155 -13.001 -8.695 1.00 0.53 H new ATOM 0 HB THR A 1 2.555 -12.843 -7.378 1.00 0.54 H new ATOM 0 HG1 THR A 1 2.014 -15.044 -6.675 1.00 0.58 H new ATOM 0 HG21 THR A 1 1.387 -13.359 -5.258 1.00 0.81 H new ATOM 0 HG22 THR A 1 0.861 -11.816 -5.971 1.00 0.81 H new ATOM 0 HG23 THR A 1 -0.169 -13.259 -6.114 1.00 0.81 H new ATOM 17 N VAL A 2 -0.169 -10.610 -7.866 1.00 0.44 N ATOM 18 CA VAL A 2 -0.310 -9.167 -7.703 1.00 0.42 C ATOM 19 C VAL A 2 0.045 -8.725 -6.288 1.00 0.38 C ATOM 20 O VAL A 2 -0.272 -9.404 -5.313 1.00 0.43 O ATOM 21 CB VAL A 2 -1.744 -8.703 -8.030 1.00 0.51 C ATOM 22 CG1 VAL A 2 -1.948 -7.251 -7.630 1.00 1.29 C ATOM 23 CG2 VAL A 2 -2.042 -8.887 -9.507 1.00 0.85 C ATOM 0 H VAL A 2 -0.912 -11.158 -7.432 1.00 0.44 H new ATOM 0 HA VAL A 2 0.386 -8.705 -8.404 1.00 0.42 H new ATOM 0 HB VAL A 2 -2.436 -9.319 -7.455 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -2.967 -6.947 -7.871 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -1.780 -7.142 -6.559 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -1.244 -6.621 -8.174 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -3.058 -8.554 -9.717 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -1.338 -8.299 -10.096 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -1.944 -9.940 -9.770 1.00 0.85 H new ATOM 33 N ALA A 3 0.696 -7.568 -6.188 1.00 0.38 N ATOM 34 CA ALA A 3 1.085 -7.015 -4.900 1.00 0.40 C ATOM 35 C ALA A 3 0.238 -5.793 -4.563 1.00 0.40 C ATOM 36 O ALA A 3 0.486 -4.692 -5.057 1.00 0.65 O ATOM 37 CB ALA A 3 2.563 -6.664 -4.895 1.00 0.43 C ATOM 0 H ALA A 3 0.964 -6.996 -6.989 1.00 0.38 H new ATOM 0 HA ALA A 3 0.911 -7.771 -4.134 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.836 -6.252 -3.924 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.151 -7.562 -5.086 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.764 -5.926 -5.672 1.00 0.43 H new ATOM 43 N TYR A 4 -0.767 -6.002 -3.725 1.00 0.25 N ATOM 44 CA TYR A 4 -1.673 -4.940 -3.308 1.00 0.24 C ATOM 45 C TYR A 4 -1.028 -4.114 -2.198 1.00 0.27 C ATOM 46 O TYR A 4 -1.318 -4.299 -1.016 1.00 0.35 O ATOM 47 CB TYR A 4 -2.980 -5.564 -2.840 1.00 0.25 C ATOM 48 CG TYR A 4 -3.559 -6.523 -3.856 1.00 0.27 C ATOM 49 CD1 TYR A 4 -3.056 -7.807 -3.990 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.619 -6.147 -4.673 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.593 -8.688 -4.906 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.159 -7.024 -5.594 1.00 0.66 C ATOM 53 CZ TYR A 4 -4.603 -8.278 -5.742 1.00 0.45 C ATOM 54 OH TYR A 4 -5.180 -9.175 -6.614 1.00 0.55 O ATOM 0 H TYR A 4 -0.978 -6.912 -3.315 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.880 -4.272 -4.144 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.811 -6.092 -1.901 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.704 -4.775 -2.636 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -2.231 -8.123 -3.368 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.028 -5.151 -4.586 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.219 -9.700 -4.966 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -6.009 -6.731 -6.193 1.00 0.66 H new ATOM 0 HH TYR A 4 -5.879 -8.724 -7.132 1.00 0.55 H new ATOM 64 N ILE A 5 -0.118 -3.230 -2.595 1.00 0.28 N ATOM 65 CA ILE A 5 0.619 -2.396 -1.649 1.00 0.34 C ATOM 66 C ILE A 5 -0.092 -1.078 -1.355 1.00 0.34 C ATOM 67 O ILE A 5 -0.895 -0.596 -2.153 1.00 0.39 O ATOM 68 CB ILE A 5 2.026 -2.078 -2.193 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.669 -3.343 -2.763 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.898 -1.481 -1.097 1.00 0.53 C ATOM 71 CD1 ILE A 5 4.010 -3.100 -3.424 1.00 0.95 C ATOM 0 H ILE A 5 0.129 -3.071 -3.572 1.00 0.28 H new ATOM 0 HA ILE A 5 0.685 -2.968 -0.723 1.00 0.34 H new ATOM 0 HB ILE A 5 1.934 -1.344 -2.994 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.796 -4.069 -1.960 1.00 0.44 H new ATOM 0 HG13 ILE A 5 1.991 -3.788 -3.491 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.888 -1.262 -1.498 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.443 -0.560 -0.731 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.988 -2.192 -0.276 1.00 0.53 H new ATOM 0 HD11 ILE A 5 4.404 -4.042 -3.804 1.00 0.95 H new ATOM 0 HD12 ILE A 5 3.887 -2.399 -4.249 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.705 -2.684 -2.695 1.00 0.95 H new ATOM 83 N ALA A 6 0.243 -0.493 -0.207 1.00 0.40 N ATOM 84 CA ALA A 6 -0.318 0.784 0.215 1.00 0.44 C ATOM 85 C ALA A 6 0.804 1.809 0.364 1.00 0.42 C ATOM 86 O ALA A 6 1.629 1.705 1.270 1.00 0.58 O ATOM 87 CB ALA A 6 -1.078 0.626 1.521 1.00 0.53 C ATOM 0 H ALA A 6 0.910 -0.892 0.454 1.00 0.40 H new ATOM 0 HA ALA A 6 -1.020 1.134 -0.542 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.490 1.589 1.821 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -1.889 -0.089 1.386 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -0.401 0.264 2.295 1.00 0.53 H new ATOM 93 N ILE A 7 0.848 2.774 -0.547 1.00 0.41 N ATOM 94 CA ILE A 7 1.896 3.790 -0.530 1.00 0.40 C ATOM 95 C ILE A 7 1.378 5.140 -0.037 1.00 0.44 C ATOM 96 O ILE A 7 0.186 5.434 -0.138 1.00 0.52 O ATOM 97 CB ILE A 7 2.498 3.975 -1.939 1.00 0.50 C ATOM 98 CG1 ILE A 7 2.921 2.622 -2.516 1.00 0.65 C ATOM 99 CG2 ILE A 7 3.681 4.930 -1.889 1.00 0.53 C ATOM 100 CD1 ILE A 7 3.453 2.702 -3.930 1.00 0.99 C ATOM 0 H ILE A 7 0.173 2.875 -1.305 1.00 0.41 H new ATOM 0 HA ILE A 7 2.662 3.437 0.161 1.00 0.40 H new ATOM 0 HB ILE A 7 1.738 4.406 -2.590 1.00 0.50 H new ATOM 0 HG12 ILE A 7 3.686 2.187 -1.874 1.00 0.65 H new ATOM 0 HG13 ILE A 7 2.066 1.946 -2.497 1.00 0.65 H new ATOM 0 HG21 ILE A 7 4.094 5.050 -2.890 1.00 0.53 H new ATOM 0 HG22 ILE A 7 3.351 5.899 -1.514 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.447 4.526 -1.226 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.732 1.705 -4.271 1.00 0.99 H new ATOM 0 HD12 ILE A 7 2.683 3.107 -4.586 1.00 0.99 H new ATOM 0 HD13 ILE A 7 4.328 3.352 -3.953 1.00 0.99 H new ATOM 112 N GLY A 8 2.290 5.966 0.483 1.00 0.50 N ATOM 113 CA GLY A 8 1.912 7.279 0.965 1.00 0.61 C ATOM 114 C GLY A 8 2.938 8.331 0.602 1.00 0.62 C ATOM 115 O GLY A 8 3.964 8.025 -0.006 1.00 0.90 O ATOM 0 H GLY A 8 3.281 5.745 0.577 1.00 0.50 H new ATOM 0 HA2 GLY A 8 0.945 7.555 0.545 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.792 7.247 2.048 1.00 0.61 H new ATOM 119 N SER A 9 2.656 9.568 0.976 1.00 0.56 N ATOM 120 CA SER A 9 3.548 10.684 0.694 1.00 0.63 C ATOM 121 C SER A 9 3.087 11.904 1.468 1.00 0.66 C ATOM 122 O SER A 9 2.003 12.433 1.218 1.00 0.77 O ATOM 123 CB SER A 9 3.574 10.967 -0.805 1.00 0.77 C ATOM 124 OG SER A 9 2.268 11.200 -1.297 1.00 1.58 O ATOM 0 H SER A 9 1.808 9.828 1.480 1.00 0.56 H new ATOM 0 HA SER A 9 4.561 10.432 1.008 1.00 0.63 H new ATOM 0 HB2 SER A 9 4.202 11.835 -1.005 1.00 0.77 H new ATOM 0 HB3 SER A 9 4.020 10.123 -1.331 1.00 0.77 H new ATOM 0 HG SER A 9 2.321 11.628 -2.177 1.00 1.58 H new ATOM 130 N ASN A 10 3.884 12.323 2.447 1.00 0.69 N ATOM 131 CA ASN A 10 3.501 13.448 3.283 1.00 0.79 C ATOM 132 C ASN A 10 4.583 14.523 3.421 1.00 0.83 C ATOM 133 O ASN A 10 4.524 15.578 2.787 1.00 0.98 O ATOM 134 CB ASN A 10 3.155 12.952 4.688 1.00 0.99 C ATOM 135 CG ASN A 10 2.091 11.870 4.734 1.00 1.05 C ATOM 136 OD1 ASN A 10 2.001 11.029 3.842 1.00 2.01 O ATOM 137 ND2 ASN A 10 1.297 11.880 5.805 1.00 1.01 N ATOM 0 H ASN A 10 4.786 11.905 2.676 1.00 0.69 H new ATOM 0 HA ASN A 10 2.646 13.904 2.785 1.00 0.79 H new ATOM 0 HB2 ASN A 10 4.062 12.571 5.158 1.00 0.99 H new ATOM 0 HB3 ASN A 10 2.818 13.799 5.285 1.00 0.99 H new ATOM 0 HD21 ASN A 10 0.575 11.168 5.911 1.00 1.01 H new ATOM 0 HD22 ASN A 10 1.412 12.600 6.518 1.00 1.01 H new ATOM 144 N LEU A 11 5.520 14.262 4.327 1.00 0.83 N ATOM 145 CA LEU A 11 6.586 15.206 4.670 1.00 0.95 C ATOM 146 C LEU A 11 7.715 15.275 3.638 1.00 0.93 C ATOM 147 O LEU A 11 8.889 15.307 4.008 1.00 1.38 O ATOM 148 CB LEU A 11 7.159 14.831 6.044 1.00 1.12 C ATOM 149 CG LEU A 11 6.120 14.595 7.147 1.00 0.90 C ATOM 150 CD1 LEU A 11 6.809 14.310 8.472 1.00 1.77 C ATOM 151 CD2 LEU A 11 5.189 15.794 7.279 1.00 1.54 C ATOM 0 H LEU A 11 5.564 13.386 4.848 1.00 0.83 H new ATOM 0 HA LEU A 11 6.136 16.199 4.686 1.00 0.95 H new ATOM 0 HB2 LEU A 11 7.759 13.928 5.934 1.00 1.12 H new ATOM 0 HB3 LEU A 11 7.833 15.625 6.367 1.00 1.12 H new ATOM 0 HG LEU A 11 5.521 13.727 6.872 1.00 0.90 H new ATOM 0 HD11 LEU A 11 6.058 14.145 9.244 1.00 1.77 H new ATOM 0 HD12 LEU A 11 7.431 13.420 8.375 1.00 1.77 H new ATOM 0 HD13 LEU A 11 7.433 15.160 8.748 1.00 1.77 H new ATOM 0 HD21 LEU A 11 4.461 15.604 8.067 1.00 1.54 H new ATOM 0 HD22 LEU A 11 5.771 16.681 7.529 1.00 1.54 H new ATOM 0 HD23 LEU A 11 4.668 15.956 6.335 1.00 1.54 H new ATOM 163 N ALA A 12 7.368 15.324 2.354 1.00 0.84 N ATOM 164 CA ALA A 12 8.376 15.414 1.295 1.00 0.91 C ATOM 165 C ALA A 12 7.727 15.448 -0.080 1.00 0.95 C ATOM 166 O ALA A 12 7.920 14.542 -0.889 1.00 1.72 O ATOM 167 CB ALA A 12 9.357 14.252 1.379 1.00 0.97 C ATOM 0 H ALA A 12 6.404 15.303 2.021 1.00 0.84 H new ATOM 0 HA ALA A 12 8.923 16.346 1.441 1.00 0.91 H new ATOM 0 HB1 ALA A 12 10.096 14.341 0.582 1.00 0.97 H new ATOM 0 HB2 ALA A 12 9.861 14.271 2.345 1.00 0.97 H new ATOM 0 HB3 ALA A 12 8.817 13.311 1.270 1.00 0.97 H new ATOM 173 N SER A 13 6.950 16.496 -0.338 1.00 0.81 N ATOM 174 CA SER A 13 6.266 16.638 -1.617 1.00 0.79 C ATOM 175 C SER A 13 5.462 15.377 -1.916 1.00 0.71 C ATOM 176 O SER A 13 5.951 14.463 -2.580 1.00 0.71 O ATOM 177 CB SER A 13 7.271 16.903 -2.738 1.00 0.89 C ATOM 178 OG SER A 13 8.002 18.094 -2.499 1.00 1.47 O ATOM 0 H SER A 13 6.779 17.256 0.320 1.00 0.81 H new ATOM 0 HA SER A 13 5.587 17.489 -1.558 1.00 0.79 H new ATOM 0 HB2 SER A 13 7.959 16.061 -2.820 1.00 0.89 H new ATOM 0 HB3 SER A 13 6.746 16.980 -3.690 1.00 0.89 H new ATOM 0 HG SER A 13 8.636 18.241 -3.232 1.00 1.47 H new ATOM 184 N PRO A 14 4.221 15.303 -1.406 1.00 0.69 N ATOM 185 CA PRO A 14 3.354 14.138 -1.598 1.00 0.66 C ATOM 186 C PRO A 14 3.293 13.663 -3.052 1.00 0.67 C ATOM 187 O PRO A 14 2.922 12.522 -3.325 1.00 0.66 O ATOM 188 CB PRO A 14 1.987 14.646 -1.146 1.00 0.68 C ATOM 189 CG PRO A 14 2.296 15.689 -0.128 1.00 0.80 C ATOM 190 CD PRO A 14 3.572 16.344 -0.582 1.00 0.78 C ATOM 0 HA PRO A 14 3.718 13.272 -1.045 1.00 0.66 H new ATOM 0 HB2 PRO A 14 1.422 15.061 -1.981 1.00 0.68 H new ATOM 0 HB3 PRO A 14 1.385 13.842 -0.721 1.00 0.68 H new ATOM 0 HG2 PRO A 14 1.488 16.417 -0.057 1.00 0.80 H new ATOM 0 HG3 PRO A 14 2.415 15.246 0.861 1.00 0.80 H new ATOM 0 HD2 PRO A 14 3.376 17.248 -1.159 1.00 0.78 H new ATOM 0 HD3 PRO A 14 4.197 16.634 0.263 1.00 0.78 H new ATOM 198 N LEU A 15 3.641 14.542 -3.983 1.00 0.73 N ATOM 199 CA LEU A 15 3.607 14.206 -5.404 1.00 0.78 C ATOM 200 C LEU A 15 4.896 13.524 -5.868 1.00 0.73 C ATOM 201 O LEU A 15 4.870 12.684 -6.767 1.00 0.79 O ATOM 202 CB LEU A 15 3.364 15.468 -6.234 1.00 0.92 C ATOM 203 CG LEU A 15 3.233 15.244 -7.743 1.00 0.98 C ATOM 204 CD1 LEU A 15 2.049 14.338 -8.051 1.00 1.00 C ATOM 205 CD2 LEU A 15 3.092 16.574 -8.466 1.00 1.15 C ATOM 0 H LEU A 15 3.950 15.493 -3.782 1.00 0.73 H new ATOM 0 HA LEU A 15 2.789 13.501 -5.551 1.00 0.78 H new ATOM 0 HB2 LEU A 15 2.455 15.950 -5.875 1.00 0.92 H new ATOM 0 HB3 LEU A 15 4.185 16.163 -6.056 1.00 0.92 H new ATOM 0 HG LEU A 15 4.139 14.752 -8.098 1.00 0.98 H new ATOM 0 HD11 LEU A 15 1.974 14.192 -9.128 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.192 13.374 -7.563 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.133 14.799 -7.682 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.000 16.398 -9.538 1.00 1.15 H new ATOM 0 HD22 LEU A 15 2.203 17.092 -8.106 1.00 1.15 H new ATOM 0 HD23 LEU A 15 3.972 17.188 -8.274 1.00 1.15 H new ATOM 217 N GLU A 16 6.021 13.906 -5.271 1.00 0.71 N ATOM 218 CA GLU A 16 7.319 13.351 -5.640 1.00 0.71 C ATOM 219 C GLU A 16 7.541 11.951 -5.080 1.00 0.63 C ATOM 220 O GLU A 16 8.131 11.095 -5.741 1.00 0.65 O ATOM 221 CB GLU A 16 8.423 14.271 -5.132 1.00 0.81 C ATOM 222 CG GLU A 16 8.467 15.617 -5.833 1.00 0.95 C ATOM 223 CD GLU A 16 9.627 16.478 -5.373 1.00 1.57 C ATOM 224 OE1 GLU A 16 10.788 16.036 -5.511 1.00 2.35 O ATOM 225 OE2 GLU A 16 9.378 17.594 -4.871 1.00 2.01 O ATOM 0 H GLU A 16 6.059 14.601 -4.526 1.00 0.71 H new ATOM 0 HA GLU A 16 7.341 13.276 -6.727 1.00 0.71 H new ATOM 0 HB2 GLU A 16 8.286 14.433 -4.063 1.00 0.81 H new ATOM 0 HB3 GLU A 16 9.385 13.774 -5.258 1.00 0.81 H new ATOM 0 HG2 GLU A 16 8.541 15.460 -6.909 1.00 0.95 H new ATOM 0 HG3 GLU A 16 7.532 16.147 -5.652 1.00 0.95 H new ATOM 232 N GLN A 17 7.101 11.733 -3.850 1.00 0.59 N ATOM 233 CA GLN A 17 7.291 10.444 -3.190 1.00 0.56 C ATOM 234 C GLN A 17 6.466 9.332 -3.827 1.00 0.55 C ATOM 235 O GLN A 17 6.770 8.154 -3.650 1.00 0.61 O ATOM 236 CB GLN A 17 6.976 10.565 -1.703 1.00 0.62 C ATOM 237 CG GLN A 17 7.897 11.529 -0.972 1.00 0.71 C ATOM 238 CD GLN A 17 9.365 11.165 -1.122 1.00 1.20 C ATOM 239 OE1 GLN A 17 9.946 11.312 -2.197 1.00 1.99 O ATOM 240 NE2 GLN A 17 9.965 10.666 -0.048 1.00 1.63 N ATOM 0 H GLN A 17 6.611 12.428 -3.287 1.00 0.59 H new ATOM 0 HA GLN A 17 8.338 10.167 -3.316 1.00 0.56 H new ATOM 0 HB2 GLN A 17 5.945 10.896 -1.583 1.00 0.62 H new ATOM 0 HB3 GLN A 17 7.051 9.581 -1.241 1.00 0.62 H new ATOM 0 HG2 GLN A 17 7.736 12.538 -1.352 1.00 0.71 H new ATOM 0 HG3 GLN A 17 7.636 11.542 0.086 1.00 0.71 H new ATOM 0 HE21 GLN A 17 9.446 10.561 0.824 1.00 1.63 H new ATOM 0 HE22 GLN A 17 10.945 10.388 -0.095 1.00 1.63 H new ATOM 249 N VAL A 18 5.425 9.696 -4.565 1.00 0.56 N ATOM 250 CA VAL A 18 4.578 8.699 -5.212 1.00 0.62 C ATOM 251 C VAL A 18 5.178 8.239 -6.536 1.00 0.60 C ATOM 252 O VAL A 18 4.986 7.095 -6.944 1.00 0.64 O ATOM 253 CB VAL A 18 3.155 9.236 -5.450 1.00 0.76 C ATOM 254 CG1 VAL A 18 2.292 8.193 -6.144 1.00 0.82 C ATOM 255 CG2 VAL A 18 2.527 9.664 -4.135 1.00 0.83 C ATOM 0 H VAL A 18 5.148 10.664 -4.730 1.00 0.56 H new ATOM 0 HA VAL A 18 4.520 7.846 -4.535 1.00 0.62 H new ATOM 0 HB VAL A 18 3.220 10.107 -6.103 1.00 0.76 H new ATOM 0 HG11 VAL A 18 1.291 8.595 -6.302 1.00 0.82 H new ATOM 0 HG12 VAL A 18 2.735 7.936 -7.106 1.00 0.82 H new ATOM 0 HG13 VAL A 18 2.230 7.300 -5.522 1.00 0.82 H new ATOM 0 HG21 VAL A 18 1.521 10.042 -4.318 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.477 8.809 -3.461 1.00 0.83 H new ATOM 0 HG23 VAL A 18 3.132 10.449 -3.681 1.00 0.83 H new ATOM 265 N ASN A 19 5.903 9.131 -7.204 1.00 0.60 N ATOM 266 CA ASN A 19 6.524 8.798 -8.482 1.00 0.64 C ATOM 267 C ASN A 19 7.524 7.655 -8.328 1.00 0.56 C ATOM 268 O ASN A 19 7.401 6.625 -8.988 1.00 0.63 O ATOM 269 CB ASN A 19 7.225 10.020 -9.078 1.00 0.72 C ATOM 270 CG ASN A 19 6.266 11.149 -9.392 1.00 0.82 C ATOM 271 OD1 ASN A 19 5.297 10.967 -10.132 1.00 0.92 O ATOM 272 ND2 ASN A 19 6.534 12.325 -8.840 1.00 0.84 N ATOM 0 H ASN A 19 6.074 10.084 -6.884 1.00 0.60 H new ATOM 0 HA ASN A 19 5.732 8.477 -9.158 1.00 0.64 H new ATOM 0 HB2 ASN A 19 7.982 10.376 -8.379 1.00 0.72 H new ATOM 0 HB3 ASN A 19 7.745 9.727 -9.990 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.927 13.124 -9.022 1.00 0.84 H new ATOM 0 HD22 ASN A 19 7.347 12.430 -8.234 1.00 0.84 H new ATOM 279 N ALA A 20 8.512 7.846 -7.459 1.00 0.47 N ATOM 280 CA ALA A 20 9.537 6.830 -7.228 1.00 0.42 C ATOM 281 C ALA A 20 8.975 5.620 -6.487 1.00 0.35 C ATOM 282 O ALA A 20 9.528 4.526 -6.567 1.00 0.36 O ATOM 283 CB ALA A 20 10.705 7.427 -6.460 1.00 0.43 C ATOM 0 H ALA A 20 8.626 8.694 -6.903 1.00 0.47 H new ATOM 0 HA ALA A 20 9.889 6.485 -8.200 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.462 6.660 -6.294 1.00 0.43 H new ATOM 0 HB2 ALA A 20 11.138 8.246 -7.035 1.00 0.43 H new ATOM 0 HB3 ALA A 20 10.354 7.804 -5.499 1.00 0.43 H new ATOM 289 N ALA A 21 7.878 5.822 -5.769 1.00 0.36 N ATOM 290 CA ALA A 21 7.246 4.740 -5.018 1.00 0.39 C ATOM 291 C ALA A 21 6.672 3.686 -5.961 1.00 0.41 C ATOM 292 O ALA A 21 6.906 2.491 -5.786 1.00 0.44 O ATOM 293 CB ALA A 21 6.165 5.298 -4.112 1.00 0.46 C ATOM 0 H ALA A 21 7.406 6.723 -5.689 1.00 0.36 H new ATOM 0 HA ALA A 21 8.004 4.257 -4.401 1.00 0.39 H new ATOM 0 HB1 ALA A 21 5.700 4.484 -3.556 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.607 6.008 -3.413 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.410 5.804 -4.715 1.00 0.46 H new ATOM 299 N LEU A 22 5.919 4.137 -6.962 1.00 0.47 N ATOM 300 CA LEU A 22 5.315 3.227 -7.931 1.00 0.53 C ATOM 301 C LEU A 22 6.292 2.886 -9.055 1.00 0.50 C ATOM 302 O LEU A 22 6.135 1.875 -9.737 1.00 0.64 O ATOM 303 CB LEU A 22 4.026 3.835 -8.501 1.00 0.70 C ATOM 304 CG LEU A 22 4.166 5.227 -9.136 1.00 0.81 C ATOM 305 CD1 LEU A 22 4.856 5.148 -10.489 1.00 1.28 C ATOM 306 CD2 LEU A 22 2.801 5.884 -9.271 1.00 1.35 C ATOM 0 H LEU A 22 5.713 5.123 -7.123 1.00 0.47 H new ATOM 0 HA LEU A 22 5.066 2.300 -7.415 1.00 0.53 H new ATOM 0 HB2 LEU A 22 3.626 3.153 -9.251 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.290 3.895 -7.700 1.00 0.70 H new ATOM 0 HG LEU A 22 4.787 5.837 -8.480 1.00 0.81 H new ATOM 0 HD11 LEU A 22 4.940 6.148 -10.913 1.00 1.28 H new ATOM 0 HD12 LEU A 22 5.851 4.721 -10.365 1.00 1.28 H new ATOM 0 HD13 LEU A 22 4.271 4.518 -11.159 1.00 1.28 H new ATOM 0 HD21 LEU A 22 2.915 6.870 -9.722 1.00 1.35 H new ATOM 0 HD22 LEU A 22 2.161 5.267 -9.902 1.00 1.35 H new ATOM 0 HD23 LEU A 22 2.347 5.986 -8.285 1.00 1.35 H new ATOM 318 N LYS A 23 7.291 3.741 -9.253 1.00 0.45 N ATOM 319 CA LYS A 23 8.282 3.526 -10.307 1.00 0.49 C ATOM 320 C LYS A 23 9.304 2.476 -9.881 1.00 0.43 C ATOM 321 O LYS A 23 9.670 1.600 -10.665 1.00 0.51 O ATOM 322 CB LYS A 23 8.982 4.848 -10.649 1.00 0.56 C ATOM 323 CG LYS A 23 9.823 4.811 -11.921 1.00 0.93 C ATOM 324 CD LYS A 23 11.127 4.052 -11.729 1.00 1.62 C ATOM 325 CE LYS A 23 11.984 4.089 -12.982 1.00 2.52 C ATOM 326 NZ LYS A 23 11.282 3.494 -14.155 1.00 3.23 N ATOM 0 H LYS A 23 7.437 4.586 -8.701 1.00 0.45 H new ATOM 0 HA LYS A 23 7.769 3.159 -11.196 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.227 5.628 -10.751 1.00 0.56 H new ATOM 0 HB3 LYS A 23 9.623 5.131 -9.814 1.00 0.56 H new ATOM 0 HG2 LYS A 23 9.248 4.344 -12.721 1.00 0.93 H new ATOM 0 HG3 LYS A 23 10.042 5.830 -12.239 1.00 0.93 H new ATOM 0 HD2 LYS A 23 11.681 4.484 -10.896 1.00 1.62 H new ATOM 0 HD3 LYS A 23 10.911 3.017 -11.466 1.00 1.62 H new ATOM 0 HE2 LYS A 23 12.254 5.121 -13.206 1.00 2.52 H new ATOM 0 HE3 LYS A 23 12.913 3.548 -12.802 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 11.957 3.367 -14.936 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 10.883 2.571 -13.889 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 10.516 4.128 -14.459 1.00 3.23 H new ATOM 340 N ALA A 24 9.767 2.577 -8.640 1.00 0.37 N ATOM 341 CA ALA A 24 10.756 1.647 -8.111 1.00 0.41 C ATOM 342 C ALA A 24 10.265 0.204 -8.177 1.00 0.41 C ATOM 343 O ALA A 24 11.064 -0.721 -8.313 1.00 0.43 O ATOM 344 CB ALA A 24 11.115 2.015 -6.679 1.00 0.46 C ATOM 0 H ALA A 24 9.472 3.296 -7.980 1.00 0.37 H new ATOM 0 HA ALA A 24 11.647 1.723 -8.734 1.00 0.41 H new ATOM 0 HB1 ALA A 24 11.855 1.311 -6.297 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.527 3.024 -6.655 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.220 1.974 -6.058 1.00 0.46 H new ATOM 350 N LEU A 25 8.951 0.014 -8.082 1.00 0.43 N ATOM 351 CA LEU A 25 8.373 -1.322 -8.134 1.00 0.48 C ATOM 352 C LEU A 25 8.586 -1.945 -9.508 1.00 0.49 C ATOM 353 O LEU A 25 8.662 -3.165 -9.642 1.00 0.57 O ATOM 354 CB LEU A 25 6.881 -1.271 -7.794 1.00 0.53 C ATOM 355 CG LEU A 25 6.557 -0.780 -6.380 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.054 -0.710 -6.168 1.00 0.95 C ATOM 357 CD2 LEU A 25 7.198 -1.689 -5.343 1.00 1.00 C ATOM 0 H LEU A 25 8.271 0.766 -7.969 1.00 0.43 H new ATOM 0 HA LEU A 25 8.876 -1.944 -7.394 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.382 -0.620 -8.512 1.00 0.53 H new ATOM 0 HB3 LEU A 25 6.460 -2.268 -7.922 1.00 0.53 H new ATOM 0 HG LEU A 25 6.967 0.223 -6.263 1.00 0.70 H new ATOM 0 HD11 LEU A 25 4.845 -0.359 -5.157 1.00 0.95 H new ATOM 0 HD12 LEU A 25 4.617 -0.020 -6.889 1.00 0.95 H new ATOM 0 HD13 LEU A 25 4.621 -1.701 -6.305 1.00 0.95 H new ATOM 0 HD21 LEU A 25 6.958 -1.326 -4.343 1.00 1.00 H new ATOM 0 HD22 LEU A 25 6.816 -2.703 -5.462 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.280 -1.690 -5.479 1.00 1.00 H new ATOM 369 N GLY A 26 8.701 -1.095 -10.522 1.00 0.47 N ATOM 370 CA GLY A 26 8.927 -1.581 -11.870 1.00 0.53 C ATOM 371 C GLY A 26 10.347 -2.079 -12.049 1.00 0.50 C ATOM 372 O GLY A 26 10.677 -2.702 -13.059 1.00 0.64 O ATOM 0 H GLY A 26 8.642 -0.080 -10.435 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.227 -2.387 -12.090 1.00 0.53 H new ATOM 0 HA3 GLY A 26 8.727 -0.782 -12.584 1.00 0.53 H new ATOM 376 N ASP A 27 11.183 -1.803 -11.053 1.00 0.43 N ATOM 377 CA ASP A 27 12.579 -2.220 -11.079 1.00 0.46 C ATOM 378 C ASP A 27 12.867 -3.193 -9.939 1.00 0.41 C ATOM 379 O ASP A 27 13.913 -3.845 -9.917 1.00 0.56 O ATOM 380 CB ASP A 27 13.498 -1.001 -10.974 1.00 0.59 C ATOM 381 CG ASP A 27 14.965 -1.374 -11.047 1.00 1.05 C ATOM 382 OD1 ASP A 27 15.381 -1.949 -12.077 1.00 1.50 O ATOM 383 OD2 ASP A 27 15.701 -1.093 -10.077 1.00 1.48 O ATOM 0 H ASP A 27 10.915 -1.289 -10.214 1.00 0.43 H new ATOM 0 HA ASP A 27 12.771 -2.726 -12.025 1.00 0.46 H new ATOM 0 HB2 ASP A 27 13.263 -0.303 -11.777 1.00 0.59 H new ATOM 0 HB3 ASP A 27 13.304 -0.483 -10.035 1.00 0.59 H new ATOM 388 N ILE A 28 11.931 -3.290 -8.997 1.00 0.37 N ATOM 389 CA ILE A 28 12.081 -4.187 -7.857 1.00 0.36 C ATOM 390 C ILE A 28 12.339 -5.621 -8.323 1.00 0.42 C ATOM 391 O ILE A 28 11.769 -6.073 -9.316 1.00 0.47 O ATOM 392 CB ILE A 28 10.833 -4.139 -6.938 1.00 0.41 C ATOM 393 CG1 ILE A 28 10.814 -2.835 -6.133 1.00 0.45 C ATOM 394 CG2 ILE A 28 10.779 -5.346 -6.007 1.00 0.47 C ATOM 395 CD1 ILE A 28 12.006 -2.666 -5.213 1.00 1.27 C ATOM 0 H ILE A 28 11.061 -2.758 -9.002 1.00 0.37 H new ATOM 0 HA ILE A 28 12.942 -3.847 -7.282 1.00 0.36 H new ATOM 0 HB ILE A 28 9.948 -4.172 -7.573 1.00 0.41 H new ATOM 0 HG12 ILE A 28 10.778 -1.993 -6.824 1.00 0.45 H new ATOM 0 HG13 ILE A 28 9.901 -2.799 -5.539 1.00 0.45 H new ATOM 0 HG21 ILE A 28 9.892 -5.280 -5.377 1.00 0.47 H new ATOM 0 HG22 ILE A 28 10.737 -6.260 -6.599 1.00 0.47 H new ATOM 0 HG23 ILE A 28 11.670 -5.361 -5.379 1.00 0.47 H new ATOM 0 HD11 ILE A 28 11.921 -1.720 -4.678 1.00 1.27 H new ATOM 0 HD12 ILE A 28 12.032 -3.487 -4.497 1.00 1.27 H new ATOM 0 HD13 ILE A 28 12.923 -2.669 -5.802 1.00 1.27 H new ATOM 407 N PRO A 29 13.220 -6.349 -7.613 1.00 0.49 N ATOM 408 CA PRO A 29 13.572 -7.730 -7.955 1.00 0.65 C ATOM 409 C PRO A 29 12.356 -8.604 -8.242 1.00 0.73 C ATOM 410 O PRO A 29 11.513 -8.821 -7.369 1.00 0.77 O ATOM 411 CB PRO A 29 14.296 -8.224 -6.703 1.00 0.75 C ATOM 412 CG PRO A 29 14.905 -6.998 -6.117 1.00 0.74 C ATOM 413 CD PRO A 29 13.955 -5.872 -6.425 1.00 0.51 C ATOM 0 HA PRO A 29 14.167 -7.778 -8.867 1.00 0.65 H new ATOM 0 HB2 PRO A 29 13.605 -8.696 -6.005 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.056 -8.965 -6.950 1.00 0.75 H new ATOM 0 HG2 PRO A 29 15.044 -7.108 -5.041 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.888 -6.807 -6.547 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.282 -5.676 -5.590 1.00 0.51 H new ATOM 0 HD3 PRO A 29 14.488 -4.943 -6.630 1.00 0.51 H new ATOM 421 N GLU A 30 12.283 -9.111 -9.469 1.00 0.83 N ATOM 422 CA GLU A 30 11.188 -9.977 -9.889 1.00 0.95 C ATOM 423 C GLU A 30 9.831 -9.345 -9.599 1.00 0.84 C ATOM 424 O GLU A 30 9.038 -9.888 -8.836 1.00 1.18 O ATOM 425 CB GLU A 30 11.283 -11.337 -9.192 1.00 1.17 C ATOM 426 CG GLU A 30 12.503 -12.151 -9.590 1.00 1.47 C ATOM 427 CD GLU A 30 13.781 -11.699 -8.904 1.00 2.16 C ATOM 428 OE1 GLU A 30 14.259 -10.585 -9.201 1.00 2.84 O ATOM 429 OE2 GLU A 30 14.303 -12.464 -8.068 1.00 2.65 O ATOM 0 H GLU A 30 12.977 -8.934 -10.196 1.00 0.83 H new ATOM 0 HA GLU A 30 11.277 -10.116 -10.966 1.00 0.95 H new ATOM 0 HB2 GLU A 30 11.299 -11.181 -8.113 1.00 1.17 H new ATOM 0 HB3 GLU A 30 10.385 -11.913 -9.417 1.00 1.17 H new ATOM 0 HG2 GLU A 30 12.324 -13.200 -9.353 1.00 1.47 H new ATOM 0 HG3 GLU A 30 12.637 -12.087 -10.670 1.00 1.47 H new ATOM 436 N SER A 31 9.572 -8.198 -10.216 1.00 0.60 N ATOM 437 CA SER A 31 8.308 -7.496 -10.020 1.00 0.54 C ATOM 438 C SER A 31 7.992 -6.596 -11.210 1.00 0.47 C ATOM 439 O SER A 31 8.891 -6.184 -11.944 1.00 0.59 O ATOM 440 CB SER A 31 8.373 -6.659 -8.749 1.00 0.57 C ATOM 441 OG SER A 31 9.278 -5.582 -8.899 1.00 1.37 O ATOM 0 H SER A 31 10.218 -7.735 -10.855 1.00 0.60 H new ATOM 0 HA SER A 31 7.516 -8.239 -9.929 1.00 0.54 H new ATOM 0 HB2 SER A 31 7.381 -6.275 -8.511 1.00 0.57 H new ATOM 0 HB3 SER A 31 8.682 -7.285 -7.912 1.00 0.57 H new ATOM 0 HG SER A 31 8.793 -4.787 -9.205 1.00 1.37 H new ATOM 447 N HIS A 32 6.709 -6.291 -11.399 1.00 0.38 N ATOM 448 CA HIS A 32 6.287 -5.436 -12.507 1.00 0.42 C ATOM 449 C HIS A 32 4.858 -4.935 -12.318 1.00 0.39 C ATOM 450 O HIS A 32 3.906 -5.672 -12.561 1.00 0.39 O ATOM 451 CB HIS A 32 6.386 -6.207 -13.820 1.00 0.52 C ATOM 452 CG HIS A 32 6.281 -5.341 -15.037 1.00 1.10 C ATOM 453 ND1 HIS A 32 7.167 -4.318 -15.312 1.00 1.90 N ATOM 454 CD2 HIS A 32 5.388 -5.346 -16.055 1.00 1.90 C ATOM 455 CE1 HIS A 32 6.823 -3.734 -16.445 1.00 2.46 C ATOM 456 NE2 HIS A 32 5.747 -4.338 -16.916 1.00 2.42 N ATOM 0 H HIS A 32 5.949 -6.620 -10.804 1.00 0.38 H new ATOM 0 HA HIS A 32 6.949 -4.570 -12.531 1.00 0.42 H new ATOM 0 HB2 HIS A 32 7.336 -6.741 -13.846 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.597 -6.958 -13.850 1.00 0.52 H new ATOM 0 HD2 HIS A 32 4.550 -6.017 -16.169 1.00 1.90 H new ATOM 0 HE1 HIS A 32 7.335 -2.903 -16.908 1.00 2.46 H new ATOM 0 HE2 HIS A 32 5.261 -4.095 -17.779 1.00 2.42 H new ATOM 465 N ILE A 33 4.708 -3.683 -11.894 1.00 0.42 N ATOM 466 CA ILE A 33 3.382 -3.106 -11.684 1.00 0.42 C ATOM 467 C ILE A 33 2.509 -3.256 -12.926 1.00 0.41 C ATOM 468 O ILE A 33 2.954 -3.009 -14.046 1.00 0.48 O ATOM 469 CB ILE A 33 3.461 -1.620 -11.274 1.00 0.51 C ATOM 470 CG1 ILE A 33 3.891 -1.513 -9.811 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.124 -0.922 -11.496 1.00 0.79 C ATOM 472 CD1 ILE A 33 3.964 -0.091 -9.300 1.00 0.70 C ATOM 0 H ILE A 33 5.482 -3.051 -11.690 1.00 0.42 H new ATOM 0 HA ILE A 33 2.925 -3.661 -10.865 1.00 0.42 H new ATOM 0 HB ILE A 33 4.202 -1.122 -11.899 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.191 -2.076 -9.194 1.00 0.61 H new ATOM 0 HG13 ILE A 33 4.868 -1.982 -9.694 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.206 0.124 -11.200 1.00 0.79 H new ATOM 0 HG22 ILE A 33 1.854 -0.980 -12.550 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.355 -1.410 -10.897 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.275 -0.095 -8.255 1.00 0.70 H new ATOM 0 HD12 ILE A 33 4.686 0.472 -9.892 1.00 0.70 H new ATOM 0 HD13 ILE A 33 2.983 0.377 -9.384 1.00 0.70 H new ATOM 484 N LEU A 34 1.264 -3.675 -12.709 1.00 0.39 N ATOM 485 CA LEU A 34 0.321 -3.875 -13.801 1.00 0.40 C ATOM 486 C LEU A 34 -0.607 -2.669 -13.940 1.00 0.37 C ATOM 487 O LEU A 34 -0.826 -2.170 -15.045 1.00 0.50 O ATOM 488 CB LEU A 34 -0.487 -5.156 -13.559 1.00 0.43 C ATOM 489 CG LEU A 34 -1.119 -5.792 -14.802 1.00 0.66 C ATOM 490 CD1 LEU A 34 -1.661 -7.173 -14.471 1.00 1.42 C ATOM 491 CD2 LEU A 34 -2.227 -4.912 -15.362 1.00 1.39 C ATOM 0 H LEU A 34 0.887 -3.882 -11.784 1.00 0.39 H new ATOM 0 HA LEU A 34 0.877 -3.979 -14.733 1.00 0.40 H new ATOM 0 HB2 LEU A 34 0.166 -5.892 -13.090 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -1.280 -4.933 -12.845 1.00 0.43 H new ATOM 0 HG LEU A 34 -0.345 -5.890 -15.563 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -2.107 -7.612 -15.363 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -0.848 -7.809 -14.121 1.00 1.42 H new ATOM 0 HD13 LEU A 34 -2.418 -7.090 -13.691 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -2.658 -5.387 -16.243 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -3.001 -4.777 -14.607 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -1.816 -3.941 -15.638 1.00 1.39 H new ATOM 503 N THR A 35 -1.151 -2.198 -12.818 1.00 0.30 N ATOM 504 CA THR A 35 -2.049 -1.049 -12.831 1.00 0.33 C ATOM 505 C THR A 35 -1.779 -0.129 -11.645 1.00 0.34 C ATOM 506 O THR A 35 -1.347 -0.579 -10.582 1.00 0.44 O ATOM 507 CB THR A 35 -3.510 -1.506 -12.806 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.762 -2.313 -11.674 1.00 0.97 O ATOM 509 CG2 THR A 35 -3.914 -2.294 -14.033 1.00 0.93 C ATOM 0 H THR A 35 -0.985 -2.594 -11.893 1.00 0.30 H new ATOM 0 HA THR A 35 -1.864 -0.495 -13.751 1.00 0.33 H new ATOM 0 HB THR A 35 -4.098 -0.589 -12.776 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.728 -2.361 -11.515 1.00 0.97 H new ATOM 0 HG21 THR A 35 -4.961 -2.586 -13.949 1.00 0.93 H new ATOM 0 HG22 THR A 35 -3.779 -1.678 -14.922 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.293 -3.187 -14.113 1.00 0.93 H new ATOM 517 N VAL A 36 -2.037 1.161 -11.835 1.00 0.33 N ATOM 518 CA VAL A 36 -1.825 2.147 -10.783 1.00 0.39 C ATOM 519 C VAL A 36 -3.101 2.940 -10.517 1.00 0.36 C ATOM 520 O VAL A 36 -3.825 3.297 -11.448 1.00 0.38 O ATOM 521 CB VAL A 36 -0.691 3.124 -11.147 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.449 4.116 -10.020 1.00 1.05 C ATOM 523 CG2 VAL A 36 0.583 2.363 -11.480 1.00 1.21 C ATOM 0 H VAL A 36 -2.394 1.548 -12.709 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.543 1.599 -9.884 1.00 0.39 H new ATOM 0 HB VAL A 36 -0.995 3.686 -12.030 1.00 0.51 H new ATOM 0 HG11 VAL A 36 0.356 4.795 -10.300 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -1.359 4.687 -9.837 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -0.170 3.577 -9.114 1.00 1.05 H new ATOM 0 HG21 VAL A 36 1.373 3.070 -11.735 1.00 1.21 H new ATOM 0 HG22 VAL A 36 0.890 1.771 -10.617 1.00 1.21 H new ATOM 0 HG23 VAL A 36 0.401 1.702 -12.327 1.00 1.21 H new ATOM 533 N SER A 37 -3.368 3.214 -9.245 1.00 0.35 N ATOM 534 CA SER A 37 -4.557 3.965 -8.860 1.00 0.35 C ATOM 535 C SER A 37 -4.416 5.437 -9.258 1.00 0.40 C ATOM 536 O SER A 37 -4.190 5.748 -10.427 1.00 0.72 O ATOM 537 CB SER A 37 -4.803 3.828 -7.355 1.00 0.36 C ATOM 538 OG SER A 37 -3.724 4.366 -6.610 1.00 1.35 O ATOM 0 H SER A 37 -2.778 2.928 -8.464 1.00 0.35 H new ATOM 0 HA SER A 37 -5.417 3.554 -9.389 1.00 0.35 H new ATOM 0 HB2 SER A 37 -5.726 4.341 -7.086 1.00 0.36 H new ATOM 0 HB3 SER A 37 -4.937 2.777 -7.100 1.00 0.36 H new ATOM 0 HG SER A 37 -3.195 3.636 -6.227 1.00 1.35 H new ATOM 544 N SER A 38 -4.548 6.342 -8.288 1.00 0.43 N ATOM 545 CA SER A 38 -4.430 7.771 -8.558 1.00 0.45 C ATOM 546 C SER A 38 -4.025 8.524 -7.297 1.00 0.47 C ATOM 547 O SER A 38 -3.566 7.924 -6.324 1.00 0.70 O ATOM 548 CB SER A 38 -5.754 8.320 -9.095 1.00 0.50 C ATOM 549 OG SER A 38 -6.128 7.669 -10.296 1.00 1.19 O ATOM 0 H SER A 38 -4.736 6.110 -7.313 1.00 0.43 H new ATOM 0 HA SER A 38 -3.656 7.915 -9.312 1.00 0.45 H new ATOM 0 HB2 SER A 38 -6.536 8.187 -8.347 1.00 0.50 H new ATOM 0 HB3 SER A 38 -5.661 9.391 -9.272 1.00 0.50 H new ATOM 0 HG SER A 38 -6.978 8.037 -10.617 1.00 1.19 H new ATOM 555 N PHE A 39 -4.206 9.840 -7.314 1.00 0.38 N ATOM 556 CA PHE A 39 -3.864 10.667 -6.167 1.00 0.43 C ATOM 557 C PHE A 39 -5.086 10.886 -5.280 1.00 0.40 C ATOM 558 O PHE A 39 -6.125 11.359 -5.735 1.00 0.65 O ATOM 559 CB PHE A 39 -3.260 12.002 -6.624 1.00 0.59 C ATOM 560 CG PHE A 39 -4.004 12.677 -7.748 1.00 1.42 C ATOM 561 CD1 PHE A 39 -5.223 13.298 -7.525 1.00 1.93 C ATOM 562 CD2 PHE A 39 -3.469 12.703 -9.027 1.00 2.21 C ATOM 563 CE1 PHE A 39 -5.896 13.926 -8.556 1.00 2.75 C ATOM 564 CE2 PHE A 39 -4.138 13.331 -10.061 1.00 3.01 C ATOM 565 CZ PHE A 39 -5.354 13.943 -9.825 1.00 3.17 C ATOM 0 H PHE A 39 -4.587 10.354 -8.108 1.00 0.38 H new ATOM 0 HA PHE A 39 -3.111 10.146 -5.576 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -3.224 12.680 -5.771 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -2.231 11.831 -6.939 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.652 13.291 -6.534 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -2.518 12.227 -9.218 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -6.846 14.404 -8.368 1.00 2.75 H new ATOM 0 HE2 PHE A 39 -3.710 13.343 -11.053 1.00 3.01 H new ATOM 0 HZ PHE A 39 -5.879 14.433 -10.631 1.00 3.17 H new ATOM 575 N TYR A 40 -4.962 10.514 -4.009 1.00 0.38 N ATOM 576 CA TYR A 40 -6.065 10.658 -3.067 1.00 0.37 C ATOM 577 C TYR A 40 -5.607 11.301 -1.763 1.00 0.40 C ATOM 578 O TYR A 40 -4.729 10.782 -1.077 1.00 0.53 O ATOM 579 CB TYR A 40 -6.701 9.297 -2.763 1.00 0.44 C ATOM 580 CG TYR A 40 -7.237 8.573 -3.981 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.381 7.913 -4.855 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.597 8.556 -4.253 1.00 0.59 C ATOM 583 CE1 TYR A 40 -6.870 7.256 -5.968 1.00 0.57 C ATOM 584 CE2 TYR A 40 -9.093 7.900 -5.363 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.228 7.251 -6.217 1.00 0.66 C ATOM 586 OH TYR A 40 -8.718 6.597 -7.324 1.00 0.76 O ATOM 0 H TYR A 40 -4.113 10.113 -3.610 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.804 11.308 -3.536 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -5.960 8.664 -2.275 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.515 9.440 -2.052 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.318 7.914 -4.661 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.279 9.063 -3.587 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.193 6.749 -6.640 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.155 7.896 -5.561 1.00 0.67 H new ATOM 0 HH TYR A 40 -9.693 6.688 -7.353 1.00 0.76 H new ATOM 596 N ARG A 41 -6.231 12.421 -1.413 1.00 0.43 N ATOM 597 CA ARG A 41 -5.914 13.117 -0.176 1.00 0.50 C ATOM 598 C ARG A 41 -6.721 12.505 0.962 1.00 0.54 C ATOM 599 O ARG A 41 -7.914 12.245 0.807 1.00 0.67 O ATOM 600 CB ARG A 41 -6.234 14.608 -0.298 1.00 0.66 C ATOM 601 CG ARG A 41 -5.690 15.437 0.853 1.00 0.69 C ATOM 602 CD ARG A 41 -6.205 16.866 0.807 1.00 0.94 C ATOM 603 NE ARG A 41 -5.775 17.569 -0.400 1.00 1.56 N ATOM 604 CZ ARG A 41 -6.059 18.844 -0.653 1.00 2.07 C ATOM 605 NH1 ARG A 41 -6.787 19.547 0.205 1.00 2.32 N ATOM 606 NH2 ARG A 41 -5.618 19.415 -1.765 1.00 2.95 N ATOM 0 H ARG A 41 -6.960 12.865 -1.971 1.00 0.43 H new ATOM 0 HA ARG A 41 -4.848 13.012 0.028 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -5.822 14.985 -1.234 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.315 14.737 -0.350 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.975 14.977 1.799 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.601 15.441 0.816 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -7.294 16.860 0.853 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -5.852 17.406 1.685 1.00 0.94 H new ATOM 0 HE ARG A 41 -5.226 17.053 -1.087 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -7.130 19.110 1.060 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -7.004 20.524 0.009 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -5.060 18.877 -2.428 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -5.837 20.393 -1.958 1.00 2.95 H new ATOM 620 N THR A 42 -6.074 12.251 2.091 1.00 0.61 N ATOM 621 CA THR A 42 -6.759 11.644 3.226 1.00 0.73 C ATOM 622 C THR A 42 -5.960 11.802 4.513 1.00 0.84 C ATOM 623 O THR A 42 -4.738 11.939 4.478 1.00 1.10 O ATOM 624 CB THR A 42 -6.997 10.158 2.940 1.00 0.81 C ATOM 625 OG1 THR A 42 -7.503 9.495 4.083 1.00 1.30 O ATOM 626 CG2 THR A 42 -5.747 9.428 2.505 1.00 1.28 C ATOM 0 H THR A 42 -5.086 12.453 2.246 1.00 0.61 H new ATOM 0 HA THR A 42 -7.712 12.155 3.362 1.00 0.73 H new ATOM 0 HB THR A 42 -7.719 10.137 2.124 1.00 0.81 H new ATOM 0 HG1 THR A 42 -7.064 8.624 4.177 1.00 1.30 H new ATOM 0 HG21 THR A 42 -5.984 8.381 2.318 1.00 1.28 H new ATOM 0 HG22 THR A 42 -5.360 9.881 1.592 1.00 1.28 H new ATOM 0 HG23 THR A 42 -4.994 9.495 3.291 1.00 1.28 H new ATOM 634 N PRO A 43 -6.640 11.769 5.676 1.00 0.74 N ATOM 635 CA PRO A 43 -5.975 11.895 6.971 1.00 0.86 C ATOM 636 C PRO A 43 -4.945 10.789 7.167 1.00 0.90 C ATOM 637 O PRO A 43 -5.302 9.615 7.280 1.00 0.94 O ATOM 638 CB PRO A 43 -7.116 11.754 7.989 1.00 0.98 C ATOM 639 CG PRO A 43 -8.359 12.055 7.221 1.00 0.87 C ATOM 640 CD PRO A 43 -8.096 11.590 5.819 1.00 0.71 C ATOM 0 HA PRO A 43 -5.432 12.835 7.069 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -7.146 10.749 8.411 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -6.989 12.446 8.822 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -9.218 11.539 7.650 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -8.584 13.121 7.244 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -8.390 10.550 5.677 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -8.649 12.180 5.088 1.00 0.71 H new ATOM 648 N PRO A 44 -3.649 11.144 7.191 1.00 0.98 N ATOM 649 CA PRO A 44 -2.562 10.171 7.359 1.00 1.12 C ATOM 650 C PRO A 44 -2.783 9.233 8.541 1.00 1.19 C ATOM 651 O PRO A 44 -3.781 9.331 9.255 1.00 2.06 O ATOM 652 CB PRO A 44 -1.337 11.046 7.589 1.00 1.28 C ATOM 653 CG PRO A 44 -1.651 12.324 6.894 1.00 1.18 C ATOM 654 CD PRO A 44 -3.134 12.521 7.043 1.00 1.03 C ATOM 0 HA PRO A 44 -2.476 9.510 6.497 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -1.159 11.207 8.652 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -0.438 10.584 7.181 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -1.100 13.154 7.336 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -1.367 12.277 5.843 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -3.373 13.135 7.912 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -3.563 13.019 6.173 1.00 1.03 H new ATOM 662 N LEU A 45 -1.842 8.320 8.734 1.00 0.99 N ATOM 663 CA LEU A 45 -1.931 7.346 9.824 1.00 1.03 C ATOM 664 C LEU A 45 -0.553 7.036 10.402 1.00 1.08 C ATOM 665 O LEU A 45 0.297 6.482 9.713 1.00 1.32 O ATOM 666 CB LEU A 45 -2.596 6.054 9.332 1.00 1.15 C ATOM 667 CG LEU A 45 -4.045 6.201 8.859 1.00 1.53 C ATOM 668 CD1 LEU A 45 -4.544 4.898 8.259 1.00 1.83 C ATOM 669 CD2 LEU A 45 -4.943 6.630 10.012 1.00 2.21 C ATOM 0 H LEU A 45 -1.008 8.229 8.154 1.00 0.99 H new ATOM 0 HA LEU A 45 -2.541 7.784 10.614 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -2.003 5.650 8.512 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -2.567 5.321 10.138 1.00 1.15 H new ATOM 0 HG LEU A 45 -4.077 6.972 8.089 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -5.575 5.021 7.928 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -3.920 4.627 7.408 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -4.495 4.109 9.010 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -5.969 6.729 9.657 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -4.904 5.880 10.802 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -4.600 7.588 10.403 1.00 2.21 H new ATOM 681 N GLY A 46 -0.347 7.399 11.668 1.00 1.09 N ATOM 682 CA GLY A 46 0.929 7.161 12.325 1.00 1.18 C ATOM 683 C GLY A 46 1.385 8.354 13.156 1.00 1.11 C ATOM 684 O GLY A 46 0.557 9.059 13.731 1.00 1.19 O ATOM 0 H GLY A 46 -1.046 7.856 12.253 1.00 1.09 H new ATOM 0 HA2 GLY A 46 0.846 6.284 12.968 1.00 1.18 H new ATOM 0 HA3 GLY A 46 1.685 6.935 11.573 1.00 1.18 H new ATOM 688 N PRO A 47 2.707 8.580 13.291 1.00 1.12 N ATOM 689 CA PRO A 47 3.253 9.655 14.097 1.00 1.16 C ATOM 690 C PRO A 47 3.855 10.837 13.318 1.00 1.14 C ATOM 691 O PRO A 47 4.291 11.810 13.934 1.00 1.99 O ATOM 692 CB PRO A 47 4.370 8.914 14.815 1.00 1.36 C ATOM 693 CG PRO A 47 4.841 7.868 13.840 1.00 1.39 C ATOM 694 CD PRO A 47 3.794 7.770 12.750 1.00 1.26 C ATOM 0 HA PRO A 47 2.482 10.129 14.704 1.00 1.16 H new ATOM 0 HB2 PRO A 47 5.180 9.591 15.088 1.00 1.36 H new ATOM 0 HB3 PRO A 47 4.011 8.459 15.738 1.00 1.36 H new ATOM 0 HG2 PRO A 47 5.809 8.141 13.420 1.00 1.39 H new ATOM 0 HG3 PRO A 47 4.969 6.907 14.338 1.00 1.39 H new ATOM 0 HD2 PRO A 47 4.158 8.160 11.800 1.00 1.26 H new ATOM 0 HD3 PRO A 47 3.485 6.740 12.574 1.00 1.26 H new ATOM 702 N GLN A 48 3.913 10.764 11.987 1.00 0.95 N ATOM 703 CA GLN A 48 4.512 11.865 11.214 1.00 0.84 C ATOM 704 C GLN A 48 3.791 13.200 11.449 1.00 0.90 C ATOM 705 O GLN A 48 4.450 14.230 11.590 1.00 1.04 O ATOM 706 CB GLN A 48 4.629 11.535 9.711 1.00 0.83 C ATOM 707 CG GLN A 48 3.417 10.879 9.089 1.00 1.00 C ATOM 708 CD GLN A 48 2.209 11.771 9.087 1.00 1.29 C ATOM 709 OE1 GLN A 48 2.262 12.919 8.647 1.00 2.23 O ATOM 710 NE2 GLN A 48 1.106 11.232 9.557 1.00 1.15 N ATOM 0 H GLN A 48 3.566 9.982 11.431 1.00 0.95 H new ATOM 0 HA GLN A 48 5.528 11.982 11.590 1.00 0.84 H new ATOM 0 HB2 GLN A 48 4.838 12.458 9.170 1.00 0.83 H new ATOM 0 HB3 GLN A 48 5.488 10.880 9.567 1.00 0.83 H new ATOM 0 HG2 GLN A 48 3.652 10.590 8.064 1.00 1.00 H new ATOM 0 HG3 GLN A 48 3.186 9.963 9.633 1.00 1.00 H new ATOM 0 HE21 GLN A 48 1.116 10.275 9.910 1.00 1.15 H new ATOM 0 HE22 GLN A 48 0.240 11.771 9.568 1.00 1.15 H new ATOM 719 N ASP A 49 2.452 13.184 11.525 1.00 0.99 N ATOM 720 CA ASP A 49 1.679 14.413 11.779 1.00 1.16 C ATOM 721 C ASP A 49 0.176 14.172 11.640 1.00 1.20 C ATOM 722 O ASP A 49 -0.621 14.658 12.443 1.00 1.33 O ATOM 723 CB ASP A 49 2.104 15.537 10.824 1.00 1.28 C ATOM 724 CG ASP A 49 1.590 16.894 11.267 1.00 1.51 C ATOM 725 OD1 ASP A 49 0.361 17.036 11.439 1.00 1.70 O ATOM 726 OD2 ASP A 49 2.416 17.815 11.443 1.00 1.81 O ATOM 0 H ASP A 49 1.885 12.343 11.416 1.00 0.99 H new ATOM 0 HA ASP A 49 1.890 14.713 12.805 1.00 1.16 H new ATOM 0 HB2 ASP A 49 3.192 15.566 10.762 1.00 1.28 H new ATOM 0 HB3 ASP A 49 1.733 15.320 9.822 1.00 1.28 H new ATOM 731 N GLN A 50 -0.189 13.415 10.613 1.00 1.19 N ATOM 732 CA GLN A 50 -1.586 13.066 10.317 1.00 1.31 C ATOM 733 C GLN A 50 -2.419 14.269 9.856 1.00 1.33 C ATOM 734 O GLN A 50 -3.590 14.378 10.223 1.00 1.40 O ATOM 735 CB GLN A 50 -2.274 12.466 11.539 1.00 1.42 C ATOM 736 CG GLN A 50 -1.369 11.649 12.439 1.00 1.67 C ATOM 737 CD GLN A 50 -1.085 10.278 11.884 1.00 1.43 C ATOM 738 OE1 GLN A 50 -1.975 9.434 11.811 1.00 2.03 O ATOM 739 NE2 GLN A 50 0.154 10.066 11.471 1.00 1.24 N ATOM 0 H GLN A 50 0.478 13.019 9.951 1.00 1.19 H new ATOM 0 HA GLN A 50 -1.535 12.340 9.506 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -2.713 13.274 12.125 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -3.096 11.834 11.202 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -0.428 12.181 12.582 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -1.832 11.551 13.421 1.00 1.67 H new ATOM 0 HE21 GLN A 50 0.853 10.804 11.556 1.00 1.24 H new ATOM 0 HE22 GLN A 50 0.410 9.165 11.068 1.00 1.24 H new ATOM 748 N PRO A 51 -1.859 15.198 9.062 1.00 1.35 N ATOM 749 CA PRO A 51 -2.602 16.376 8.600 1.00 1.46 C ATOM 750 C PRO A 51 -3.537 16.066 7.426 1.00 1.54 C ATOM 751 O PRO A 51 -4.750 15.941 7.606 1.00 2.26 O ATOM 752 CB PRO A 51 -1.499 17.363 8.180 1.00 1.52 C ATOM 753 CG PRO A 51 -0.199 16.690 8.503 1.00 1.53 C ATOM 754 CD PRO A 51 -0.481 15.215 8.563 1.00 1.37 C ATOM 0 HA PRO A 51 -3.260 16.766 9.377 1.00 1.46 H new ATOM 0 HB2 PRO A 51 -1.566 17.594 7.117 1.00 1.52 H new ATOM 0 HB3 PRO A 51 -1.594 18.307 8.717 1.00 1.52 H new ATOM 0 HG2 PRO A 51 0.550 16.910 7.743 1.00 1.53 H new ATOM 0 HG3 PRO A 51 0.196 17.048 9.454 1.00 1.53 H new ATOM 0 HD2 PRO A 51 -0.393 14.741 7.585 1.00 1.37 H new ATOM 0 HD3 PRO A 51 0.204 14.694 9.232 1.00 1.37 H new ATOM 762 N ASP A 52 -2.965 15.947 6.233 1.00 1.24 N ATOM 763 CA ASP A 52 -3.723 15.658 5.022 1.00 1.23 C ATOM 764 C ASP A 52 -2.756 15.461 3.864 1.00 0.91 C ATOM 765 O ASP A 52 -2.326 16.424 3.227 1.00 1.55 O ATOM 766 CB ASP A 52 -4.708 16.790 4.716 1.00 1.67 C ATOM 767 CG ASP A 52 -4.031 18.143 4.609 1.00 2.16 C ATOM 768 OD1 ASP A 52 -3.418 18.582 5.608 1.00 2.69 O ATOM 769 OD2 ASP A 52 -4.113 18.765 3.530 1.00 2.56 O ATOM 0 H ASP A 52 -1.962 16.048 6.079 1.00 1.24 H new ATOM 0 HA ASP A 52 -4.301 14.746 5.169 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -5.226 16.573 3.782 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -5.465 16.828 5.499 1.00 1.67 H new ATOM 774 N TYR A 53 -2.379 14.212 3.627 1.00 0.76 N ATOM 775 CA TYR A 53 -1.421 13.897 2.580 1.00 1.08 C ATOM 776 C TYR A 53 -1.965 12.907 1.556 1.00 0.87 C ATOM 777 O TYR A 53 -3.149 12.573 1.572 1.00 0.98 O ATOM 778 CB TYR A 53 -0.149 13.419 3.230 1.00 1.83 C ATOM 779 CG TYR A 53 0.538 14.561 3.925 1.00 2.62 C ATOM 780 CD1 TYR A 53 1.107 15.600 3.207 1.00 3.32 C ATOM 781 CD2 TYR A 53 0.618 14.595 5.311 1.00 3.26 C ATOM 782 CE1 TYR A 53 1.729 16.648 3.859 1.00 4.46 C ATOM 783 CE2 TYR A 53 1.241 15.636 5.966 1.00 4.34 C ATOM 784 CZ TYR A 53 1.820 16.679 5.179 1.00 4.90 C ATOM 785 OH TYR A 53 2.419 17.702 5.883 1.00 6.13 O ATOM 0 H TYR A 53 -2.722 13.403 4.145 1.00 0.76 H new ATOM 0 HA TYR A 53 -1.215 14.798 2.003 1.00 1.08 H new ATOM 0 HB2 TYR A 53 -0.373 12.629 3.947 1.00 1.83 H new ATOM 0 HB3 TYR A 53 0.513 12.989 2.478 1.00 1.83 H new ATOM 0 HD1 TYR A 53 1.064 15.591 2.128 1.00 3.32 H new ATOM 0 HD2 TYR A 53 0.184 13.791 5.887 1.00 3.26 H new ATOM 0 HE1 TYR A 53 2.149 17.457 3.280 1.00 4.46 H new ATOM 0 HE2 TYR A 53 1.290 15.663 7.045 1.00 4.34 H new ATOM 0 HH TYR A 53 2.324 18.541 5.385 1.00 6.13 H new ATOM 795 N LEU A 54 -1.101 12.469 0.641 1.00 0.72 N ATOM 796 CA LEU A 54 -1.511 11.554 -0.416 1.00 0.59 C ATOM 797 C LEU A 54 -1.395 10.100 0.022 1.00 0.61 C ATOM 798 O LEU A 54 -0.411 9.702 0.645 1.00 0.88 O ATOM 799 CB LEU A 54 -0.665 11.789 -1.667 1.00 0.60 C ATOM 800 CG LEU A 54 -1.314 11.344 -2.978 1.00 0.54 C ATOM 801 CD1 LEU A 54 -2.534 12.197 -3.278 1.00 0.92 C ATOM 802 CD2 LEU A 54 -0.315 11.419 -4.122 1.00 1.10 C ATOM 0 H LEU A 54 -0.116 12.734 0.613 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.559 11.753 -0.640 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -0.433 12.852 -1.736 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.282 11.263 -1.551 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.634 10.307 -2.872 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -2.986 11.869 -4.214 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -3.258 12.094 -2.470 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -2.235 13.242 -3.366 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.796 11.098 -5.046 1.00 1.10 H new ATOM 0 HD22 LEU A 54 0.036 12.445 -4.232 1.00 1.10 H new ATOM 0 HD23 LEU A 54 0.532 10.767 -3.909 1.00 1.10 H new ATOM 814 N ASN A 55 -2.411 9.315 -0.319 1.00 0.50 N ATOM 815 CA ASN A 55 -2.445 7.901 0.024 1.00 0.58 C ATOM 816 C ASN A 55 -3.188 7.115 -1.054 1.00 0.57 C ATOM 817 O ASN A 55 -4.256 7.529 -1.507 1.00 0.70 O ATOM 818 CB ASN A 55 -3.128 7.697 1.378 1.00 0.82 C ATOM 819 CG ASN A 55 -2.434 8.432 2.510 1.00 1.80 C ATOM 820 OD1 ASN A 55 -2.393 9.662 2.538 1.00 2.63 O ATOM 821 ND2 ASN A 55 -1.885 7.677 3.453 1.00 2.49 N ATOM 0 H ASN A 55 -3.228 9.639 -0.837 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.420 7.536 0.088 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -4.162 8.036 1.312 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -3.156 6.632 1.607 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -1.405 8.113 4.241 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -1.943 6.661 3.390 1.00 2.49 H new ATOM 828 N ALA A 56 -2.618 5.984 -1.469 1.00 0.51 N ATOM 829 CA ALA A 56 -3.236 5.153 -2.499 1.00 0.57 C ATOM 830 C ALA A 56 -2.529 3.806 -2.623 1.00 0.54 C ATOM 831 O ALA A 56 -1.422 3.627 -2.117 1.00 0.75 O ATOM 832 CB ALA A 56 -3.229 5.876 -3.836 1.00 0.61 C ATOM 0 H ALA A 56 -1.734 5.624 -1.109 1.00 0.51 H new ATOM 0 HA ALA A 56 -4.268 4.965 -2.203 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -3.693 5.244 -4.594 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -3.788 6.808 -3.749 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -2.201 6.095 -4.126 1.00 0.61 H new ATOM 838 N ALA A 57 -3.180 2.864 -3.300 1.00 0.31 N ATOM 839 CA ALA A 57 -2.622 1.531 -3.492 1.00 0.29 C ATOM 840 C ALA A 57 -2.202 1.315 -4.945 1.00 0.29 C ATOM 841 O ALA A 57 -2.461 2.160 -5.803 1.00 0.39 O ATOM 842 CB ALA A 57 -3.633 0.479 -3.075 1.00 0.33 C ATOM 0 H ALA A 57 -4.097 3.001 -3.725 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.734 1.439 -2.867 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.207 -0.513 -3.222 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -3.885 0.613 -2.023 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.534 0.580 -3.680 1.00 0.33 H new ATOM 848 N VAL A 58 -1.554 0.181 -5.220 1.00 0.26 N ATOM 849 CA VAL A 58 -1.108 -0.128 -6.575 1.00 0.27 C ATOM 850 C VAL A 58 -0.747 -1.603 -6.732 1.00 0.27 C ATOM 851 O VAL A 58 0.029 -2.150 -5.947 1.00 0.28 O ATOM 852 CB VAL A 58 0.094 0.743 -6.974 1.00 0.31 C ATOM 853 CG1 VAL A 58 1.230 0.591 -5.976 1.00 1.20 C ATOM 854 CG2 VAL A 58 0.564 0.404 -8.382 1.00 0.98 C ATOM 0 H VAL A 58 -1.329 -0.532 -4.526 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.944 0.092 -7.239 1.00 0.27 H new ATOM 0 HB VAL A 58 -0.227 1.785 -6.964 1.00 0.31 H new ATOM 0 HG11 VAL A 58 2.068 1.217 -6.281 1.00 1.20 H new ATOM 0 HG12 VAL A 58 0.889 0.897 -4.987 1.00 1.20 H new ATOM 0 HG13 VAL A 58 1.549 -0.451 -5.943 1.00 1.20 H new ATOM 0 HG21 VAL A 58 1.415 1.033 -8.643 1.00 0.98 H new ATOM 0 HG22 VAL A 58 0.861 -0.644 -8.424 1.00 0.98 H new ATOM 0 HG23 VAL A 58 -0.247 0.580 -9.089 1.00 0.98 H new ATOM 864 N ALA A 59 -1.327 -2.244 -7.745 1.00 0.28 N ATOM 865 CA ALA A 59 -1.078 -3.656 -7.999 1.00 0.29 C ATOM 866 C ALA A 59 0.258 -3.872 -8.700 1.00 0.31 C ATOM 867 O ALA A 59 0.511 -3.311 -9.765 1.00 0.50 O ATOM 868 CB ALA A 59 -2.206 -4.237 -8.835 1.00 0.31 C ATOM 0 H ALA A 59 -1.972 -1.805 -8.402 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.036 -4.168 -7.038 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.014 -5.294 -9.022 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.149 -4.129 -8.299 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.266 -3.706 -9.785 1.00 0.31 H new ATOM 874 N LEU A 60 1.104 -4.698 -8.092 1.00 0.28 N ATOM 875 CA LEU A 60 2.414 -5.010 -8.649 1.00 0.28 C ATOM 876 C LEU A 60 2.462 -6.450 -9.132 1.00 0.30 C ATOM 877 O LEU A 60 2.454 -7.379 -8.322 1.00 0.33 O ATOM 878 CB LEU A 60 3.510 -4.791 -7.599 1.00 0.29 C ATOM 879 CG LEU A 60 4.913 -5.283 -7.990 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.483 -4.441 -9.117 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.839 -5.252 -6.783 1.00 0.31 C ATOM 0 H LEU A 60 0.903 -5.165 -7.208 1.00 0.28 H new ATOM 0 HA LEU A 60 2.586 -4.344 -9.494 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.567 -3.725 -7.377 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.212 -5.293 -6.679 1.00 0.29 H new ATOM 0 HG LEU A 60 4.831 -6.312 -8.341 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.476 -4.807 -9.378 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.831 -4.509 -9.988 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.552 -3.402 -8.796 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.829 -5.603 -7.075 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.912 -4.232 -6.407 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.440 -5.899 -6.002 1.00 0.31 H new ATOM 893 N GLU A 61 2.537 -6.640 -10.441 1.00 0.32 N ATOM 894 CA GLU A 61 2.614 -7.983 -10.988 1.00 0.36 C ATOM 895 C GLU A 61 4.012 -8.512 -10.729 1.00 0.34 C ATOM 896 O GLU A 61 4.931 -8.297 -11.519 1.00 0.36 O ATOM 897 CB GLU A 61 2.311 -7.973 -12.488 1.00 0.43 C ATOM 898 CG GLU A 61 2.031 -9.349 -13.072 1.00 0.52 C ATOM 899 CD GLU A 61 3.229 -10.279 -13.002 1.00 1.37 C ATOM 900 OE1 GLU A 61 4.271 -9.951 -13.608 1.00 1.88 O ATOM 901 OE2 GLU A 61 3.123 -11.333 -12.343 1.00 2.11 O ATOM 0 H GLU A 61 2.546 -5.892 -11.134 1.00 0.32 H new ATOM 0 HA GLU A 61 1.874 -8.626 -10.511 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.450 -7.330 -12.670 1.00 0.43 H new ATOM 0 HB3 GLU A 61 3.156 -7.531 -13.016 1.00 0.43 H new ATOM 0 HG2 GLU A 61 1.196 -9.801 -12.538 1.00 0.52 H new ATOM 0 HG3 GLU A 61 1.723 -9.240 -14.112 1.00 0.52 H new ATOM 908 N THR A 62 4.169 -9.171 -9.591 1.00 0.34 N ATOM 909 CA THR A 62 5.458 -9.695 -9.187 1.00 0.35 C ATOM 910 C THR A 62 5.412 -11.192 -8.938 1.00 0.39 C ATOM 911 O THR A 62 4.394 -11.739 -8.514 1.00 0.61 O ATOM 912 CB THR A 62 5.927 -8.979 -7.919 1.00 0.40 C ATOM 913 OG1 THR A 62 7.087 -9.591 -7.390 1.00 0.43 O ATOM 914 CG2 THR A 62 4.882 -8.956 -6.825 1.00 0.52 C ATOM 0 H THR A 62 3.414 -9.354 -8.930 1.00 0.34 H new ATOM 0 HA THR A 62 6.159 -9.516 -10.003 1.00 0.35 H new ATOM 0 HB THR A 62 6.132 -7.954 -8.229 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.874 -9.287 -7.889 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.278 -8.434 -5.954 1.00 0.52 H new ATOM 0 HG22 THR A 62 3.991 -8.440 -7.183 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.622 -9.978 -6.548 1.00 0.52 H new ATOM 922 N SER A 63 6.543 -11.838 -9.176 1.00 0.37 N ATOM 923 CA SER A 63 6.675 -13.264 -8.951 1.00 0.48 C ATOM 924 C SER A 63 7.652 -13.477 -7.813 1.00 0.42 C ATOM 925 O SER A 63 7.952 -14.609 -7.431 1.00 0.45 O ATOM 926 CB SER A 63 7.180 -13.970 -10.210 1.00 0.69 C ATOM 927 OG SER A 63 7.188 -15.377 -10.036 1.00 1.22 O ATOM 0 H SER A 63 7.389 -11.390 -9.528 1.00 0.37 H new ATOM 0 HA SER A 63 5.701 -13.684 -8.701 1.00 0.48 H new ATOM 0 HB2 SER A 63 6.546 -13.709 -11.057 1.00 0.69 H new ATOM 0 HB3 SER A 63 8.186 -13.624 -10.446 1.00 0.69 H new ATOM 0 HG SER A 63 7.335 -15.589 -9.091 1.00 1.22 H new ATOM 933 N LEU A 64 8.148 -12.362 -7.281 1.00 0.37 N ATOM 934 CA LEU A 64 9.102 -12.400 -6.187 1.00 0.35 C ATOM 935 C LEU A 64 8.443 -12.973 -4.936 1.00 0.50 C ATOM 936 O LEU A 64 7.252 -12.766 -4.704 1.00 0.82 O ATOM 937 CB LEU A 64 9.647 -10.987 -5.926 1.00 0.49 C ATOM 938 CG LEU A 64 10.955 -10.904 -5.129 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.725 -11.223 -3.660 1.00 0.90 C ATOM 940 CD2 LEU A 64 12.004 -11.839 -5.718 1.00 0.84 C ATOM 0 H LEU A 64 7.902 -11.423 -7.594 1.00 0.37 H new ATOM 0 HA LEU A 64 9.936 -13.048 -6.456 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.799 -10.495 -6.887 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.884 -10.418 -5.394 1.00 0.49 H new ATOM 0 HG LEU A 64 11.323 -9.880 -5.199 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.670 -11.156 -3.121 1.00 0.90 H new ATOM 0 HD12 LEU A 64 10.016 -10.510 -3.239 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.324 -12.232 -3.565 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.924 -11.765 -5.138 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.636 -12.865 -5.686 1.00 0.84 H new ATOM 0 HD23 LEU A 64 12.203 -11.557 -6.752 1.00 0.84 H new ATOM 952 N ALA A 65 9.225 -13.704 -4.145 1.00 0.58 N ATOM 953 CA ALA A 65 8.729 -14.322 -2.921 1.00 0.89 C ATOM 954 C ALA A 65 7.845 -13.356 -2.142 1.00 0.60 C ATOM 955 O ALA A 65 8.212 -12.203 -1.935 1.00 0.59 O ATOM 956 CB ALA A 65 9.892 -14.789 -2.058 1.00 1.41 C ATOM 0 H ALA A 65 10.211 -13.883 -4.333 1.00 0.58 H new ATOM 0 HA ALA A 65 8.125 -15.187 -3.196 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.508 -15.248 -1.147 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.485 -15.518 -2.610 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.518 -13.935 -1.798 1.00 1.41 H new ATOM 962 N PRO A 66 6.657 -13.810 -1.706 1.00 0.50 N ATOM 963 CA PRO A 66 5.720 -12.969 -0.958 1.00 0.40 C ATOM 964 C PRO A 66 6.321 -12.394 0.313 1.00 0.41 C ATOM 965 O PRO A 66 5.790 -11.441 0.878 1.00 0.62 O ATOM 966 CB PRO A 66 4.578 -13.915 -0.591 1.00 0.47 C ATOM 967 CG PRO A 66 5.087 -15.295 -0.841 1.00 0.75 C ATOM 968 CD PRO A 66 6.128 -15.167 -1.916 1.00 0.64 C ATOM 0 HA PRO A 66 5.416 -12.109 -1.555 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.288 -13.790 0.452 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.694 -13.711 -1.194 1.00 0.47 H new ATOM 0 HG2 PRO A 66 5.514 -15.723 0.066 1.00 0.75 H new ATOM 0 HG3 PRO A 66 4.280 -15.957 -1.157 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.906 -15.923 -1.816 1.00 0.64 H new ATOM 0 HD3 PRO A 66 5.697 -15.283 -2.911 1.00 0.64 H new ATOM 976 N GLU A 67 7.415 -12.985 0.767 1.00 0.40 N ATOM 977 CA GLU A 67 8.062 -12.530 1.985 1.00 0.44 C ATOM 978 C GLU A 67 9.149 -11.509 1.688 1.00 0.37 C ATOM 979 O GLU A 67 9.364 -10.578 2.465 1.00 0.40 O ATOM 980 CB GLU A 67 8.654 -13.716 2.743 1.00 0.57 C ATOM 981 CG GLU A 67 9.641 -14.516 1.918 1.00 0.65 C ATOM 982 CD GLU A 67 10.197 -15.718 2.658 1.00 0.80 C ATOM 983 OE1 GLU A 67 9.810 -15.928 3.827 1.00 1.28 O ATOM 984 OE2 GLU A 67 11.020 -16.447 2.068 1.00 1.19 O ATOM 0 H GLU A 67 7.871 -13.776 0.313 1.00 0.40 H new ATOM 0 HA GLU A 67 7.305 -12.048 2.604 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.152 -13.353 3.642 1.00 0.57 H new ATOM 0 HB3 GLU A 67 7.846 -14.371 3.068 1.00 0.57 H new ATOM 0 HG2 GLU A 67 9.152 -14.853 1.004 1.00 0.65 H new ATOM 0 HG3 GLU A 67 10.465 -13.868 1.618 1.00 0.65 H new ATOM 991 N GLU A 68 9.840 -11.690 0.570 1.00 0.34 N ATOM 992 CA GLU A 68 10.915 -10.775 0.199 1.00 0.31 C ATOM 993 C GLU A 68 10.413 -9.597 -0.631 1.00 0.29 C ATOM 994 O GLU A 68 11.051 -8.548 -0.665 1.00 0.30 O ATOM 995 CB GLU A 68 12.031 -11.514 -0.536 1.00 0.37 C ATOM 996 CG GLU A 68 13.249 -10.645 -0.806 1.00 0.34 C ATOM 997 CD GLU A 68 14.446 -11.454 -1.270 1.00 0.53 C ATOM 998 OE1 GLU A 68 14.930 -12.303 -0.495 1.00 1.21 O ATOM 999 OE2 GLU A 68 14.905 -11.232 -2.411 1.00 1.02 O ATOM 0 H GLU A 68 9.680 -12.452 -0.089 1.00 0.34 H new ATOM 0 HA GLU A 68 11.317 -10.367 1.126 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.334 -12.380 0.053 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.645 -11.892 -1.483 1.00 0.37 H new ATOM 0 HG2 GLU A 68 13.001 -9.902 -1.564 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.512 -10.100 0.101 1.00 0.34 H new ATOM 1006 N LEU A 69 9.276 -9.769 -1.305 1.00 0.32 N ATOM 1007 CA LEU A 69 8.718 -8.701 -2.130 1.00 0.36 C ATOM 1008 C LEU A 69 8.559 -7.437 -1.303 1.00 0.35 C ATOM 1009 O LEU A 69 9.207 -6.429 -1.582 1.00 0.41 O ATOM 1010 CB LEU A 69 7.386 -9.145 -2.751 1.00 0.42 C ATOM 1011 CG LEU A 69 6.655 -8.115 -3.632 1.00 0.54 C ATOM 1012 CD1 LEU A 69 6.013 -7.021 -2.793 1.00 1.08 C ATOM 1013 CD2 LEU A 69 7.611 -7.511 -4.651 1.00 1.51 C ATOM 0 H LEU A 69 8.729 -10.630 -1.296 1.00 0.32 H new ATOM 0 HA LEU A 69 9.403 -8.482 -2.949 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.571 -10.036 -3.351 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.715 -9.439 -1.943 1.00 0.42 H new ATOM 0 HG LEU A 69 5.860 -8.638 -4.163 1.00 0.54 H new ATOM 0 HD11 LEU A 69 5.506 -6.311 -3.447 1.00 1.08 H new ATOM 0 HD12 LEU A 69 5.290 -7.464 -2.108 1.00 1.08 H new ATOM 0 HD13 LEU A 69 6.782 -6.502 -2.222 1.00 1.08 H new ATOM 0 HD21 LEU A 69 7.077 -6.785 -5.265 1.00 1.51 H new ATOM 0 HD22 LEU A 69 8.430 -7.014 -4.131 1.00 1.51 H new ATOM 0 HD23 LEU A 69 8.011 -8.300 -5.287 1.00 1.51 H new ATOM 1025 N LEU A 70 7.727 -7.496 -0.265 1.00 0.33 N ATOM 1026 CA LEU A 70 7.550 -6.343 0.610 1.00 0.39 C ATOM 1027 C LEU A 70 8.915 -5.893 1.096 1.00 0.42 C ATOM 1028 O LEU A 70 9.261 -4.715 1.028 1.00 0.61 O ATOM 1029 CB LEU A 70 6.639 -6.692 1.796 1.00 0.44 C ATOM 1030 CG LEU A 70 6.604 -5.669 2.943 1.00 0.58 C ATOM 1031 CD1 LEU A 70 5.320 -5.815 3.743 1.00 1.16 C ATOM 1032 CD2 LEU A 70 7.804 -5.845 3.863 1.00 1.01 C ATOM 0 H LEU A 70 7.174 -8.315 -0.013 1.00 0.33 H new ATOM 0 HA LEU A 70 7.071 -5.535 0.058 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.624 -6.824 1.422 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.956 -7.653 2.202 1.00 0.44 H new ATOM 0 HG LEU A 70 6.642 -4.671 2.506 1.00 0.58 H new ATOM 0 HD11 LEU A 70 5.310 -5.084 4.551 1.00 1.16 H new ATOM 0 HD12 LEU A 70 4.463 -5.646 3.090 1.00 1.16 H new ATOM 0 HD13 LEU A 70 5.264 -6.820 4.162 1.00 1.16 H new ATOM 0 HD21 LEU A 70 7.757 -5.110 4.667 1.00 1.01 H new ATOM 0 HD22 LEU A 70 7.793 -6.849 4.288 1.00 1.01 H new ATOM 0 HD23 LEU A 70 8.723 -5.702 3.294 1.00 1.01 H new ATOM 1044 N ASN A 71 9.695 -6.860 1.566 1.00 0.31 N ATOM 1045 CA ASN A 71 11.044 -6.590 2.045 1.00 0.35 C ATOM 1046 C ASN A 71 11.809 -5.731 1.044 1.00 0.38 C ATOM 1047 O ASN A 71 12.584 -4.858 1.430 1.00 0.45 O ATOM 1048 CB ASN A 71 11.796 -7.897 2.291 1.00 0.36 C ATOM 1049 CG ASN A 71 11.263 -8.678 3.482 1.00 1.06 C ATOM 1050 OD1 ASN A 71 11.792 -9.736 3.827 1.00 1.87 O ATOM 1051 ND2 ASN A 71 10.210 -8.170 4.116 1.00 1.53 N ATOM 0 H ASN A 71 9.415 -7.839 1.625 1.00 0.31 H new ATOM 0 HA ASN A 71 10.967 -6.045 2.986 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.732 -8.519 1.398 1.00 0.36 H new ATOM 0 HB3 ASN A 71 12.851 -7.677 2.451 1.00 0.36 H new ATOM 0 HD21 ASN A 71 9.813 -8.659 4.918 1.00 1.53 H new ATOM 0 HD22 ASN A 71 9.800 -7.291 3.800 1.00 1.53 H new ATOM 1058 N HIS A 72 11.569 -5.968 -0.246 1.00 0.35 N ATOM 1059 CA HIS A 72 12.218 -5.197 -1.295 1.00 0.42 C ATOM 1060 C HIS A 72 11.619 -3.807 -1.357 1.00 0.41 C ATOM 1061 O HIS A 72 12.335 -2.807 -1.342 1.00 0.43 O ATOM 1062 CB HIS A 72 12.067 -5.877 -2.656 1.00 0.51 C ATOM 1063 CG HIS A 72 12.956 -7.063 -2.851 1.00 1.07 C ATOM 1064 ND1 HIS A 72 14.314 -7.031 -2.615 1.00 2.09 N ATOM 1065 CD2 HIS A 72 12.681 -8.312 -3.291 1.00 1.39 C ATOM 1066 CE1 HIS A 72 14.836 -8.209 -2.903 1.00 2.99 C ATOM 1067 NE2 HIS A 72 13.866 -9.003 -3.315 1.00 2.56 N ATOM 0 H HIS A 72 10.930 -6.688 -0.584 1.00 0.35 H new ATOM 0 HA HIS A 72 13.280 -5.132 -1.058 1.00 0.42 H new ATOM 0 HB2 HIS A 72 11.030 -6.190 -2.780 1.00 0.51 H new ATOM 0 HB3 HIS A 72 12.276 -5.148 -3.439 1.00 0.51 H new ATOM 0 HD2 HIS A 72 11.710 -8.694 -3.571 1.00 1.39 H new ATOM 0 HE1 HIS A 72 15.879 -8.477 -2.816 1.00 2.99 H new ATOM 0 HE2 HIS A 72 13.979 -9.974 -3.605 1.00 2.56 H new ATOM 1076 N THR A 73 10.290 -3.756 -1.414 1.00 0.45 N ATOM 1077 CA THR A 73 9.585 -2.484 -1.463 1.00 0.49 C ATOM 1078 C THR A 73 10.012 -1.597 -0.297 1.00 0.46 C ATOM 1079 O THR A 73 9.826 -0.381 -0.328 1.00 0.47 O ATOM 1080 CB THR A 73 8.073 -2.709 -1.426 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.675 -3.282 -0.196 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.575 -3.611 -2.534 1.00 0.66 C ATOM 0 H THR A 73 9.685 -4.577 -1.427 1.00 0.45 H new ATOM 0 HA THR A 73 9.840 -1.984 -2.397 1.00 0.49 H new ATOM 0 HB THR A 73 7.635 -1.720 -1.557 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.467 -3.588 0.294 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.495 -3.729 -2.449 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.817 -3.168 -3.500 1.00 0.66 H new ATOM 0 HG23 THR A 73 8.054 -4.587 -2.452 1.00 0.66 H new ATOM 1090 N GLN A 74 10.596 -2.220 0.723 1.00 0.49 N ATOM 1091 CA GLN A 74 11.067 -1.498 1.897 1.00 0.49 C ATOM 1092 C GLN A 74 12.294 -0.659 1.560 1.00 0.43 C ATOM 1093 O GLN A 74 12.393 0.499 1.966 1.00 0.45 O ATOM 1094 CB GLN A 74 11.399 -2.474 3.027 1.00 0.60 C ATOM 1095 CG GLN A 74 10.200 -3.258 3.539 1.00 0.65 C ATOM 1096 CD GLN A 74 9.132 -2.389 4.188 1.00 0.87 C ATOM 1097 OE1 GLN A 74 8.070 -2.880 4.571 1.00 1.66 O ATOM 1098 NE2 GLN A 74 9.404 -1.094 4.328 1.00 1.05 N ATOM 0 H GLN A 74 10.754 -3.227 0.758 1.00 0.49 H new ATOM 0 HA GLN A 74 10.269 -0.832 2.226 1.00 0.49 H new ATOM 0 HB2 GLN A 74 12.156 -3.175 2.677 1.00 0.60 H new ATOM 0 HB3 GLN A 74 11.838 -1.919 3.856 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.755 -3.806 2.709 1.00 0.65 H new ATOM 0 HG3 GLN A 74 10.543 -3.998 4.262 1.00 0.65 H new ATOM 0 HE21 GLN A 74 10.295 -0.721 3.999 1.00 1.05 H new ATOM 0 HE22 GLN A 74 8.722 -0.474 4.765 1.00 1.05 H new ATOM 1107 N ARG A 75 13.225 -1.248 0.813 1.00 0.44 N ATOM 1108 CA ARG A 75 14.441 -0.542 0.422 1.00 0.46 C ATOM 1109 C ARG A 75 14.121 0.666 -0.445 1.00 0.43 C ATOM 1110 O ARG A 75 14.942 1.569 -0.578 1.00 0.52 O ATOM 1111 CB ARG A 75 15.401 -1.470 -0.324 1.00 0.59 C ATOM 1112 CG ARG A 75 16.502 -2.049 0.553 1.00 1.17 C ATOM 1113 CD ARG A 75 15.944 -2.915 1.670 1.00 1.93 C ATOM 1114 NE ARG A 75 15.250 -4.090 1.153 1.00 2.51 N ATOM 1115 CZ ARG A 75 15.845 -5.058 0.459 1.00 2.97 C ATOM 1116 NH1 ARG A 75 17.149 -5.001 0.216 1.00 3.08 N ATOM 1117 NH2 ARG A 75 15.136 -6.084 0.012 1.00 3.82 N ATOM 0 H ARG A 75 13.161 -2.206 0.469 1.00 0.44 H new ATOM 0 HA ARG A 75 14.923 -0.199 1.337 1.00 0.46 H new ATOM 0 HB2 ARG A 75 14.832 -2.289 -0.764 1.00 0.59 H new ATOM 0 HB3 ARG A 75 15.857 -0.920 -1.147 1.00 0.59 H new ATOM 0 HG2 ARG A 75 17.180 -2.642 -0.061 1.00 1.17 H new ATOM 0 HG3 ARG A 75 17.088 -1.237 0.983 1.00 1.17 H new ATOM 0 HD2 ARG A 75 16.756 -3.232 2.324 1.00 1.93 H new ATOM 0 HD3 ARG A 75 15.257 -2.326 2.277 1.00 1.93 H new ATOM 0 HE ARG A 75 14.250 -4.175 1.334 1.00 2.51 H new ATOM 0 HH11 ARG A 75 17.698 -4.214 0.561 1.00 3.08 H new ATOM 0 HH12 ARG A 75 17.602 -5.744 -0.316 1.00 3.08 H new ATOM 0 HH21 ARG A 75 14.135 -6.132 0.200 1.00 3.82 H new ATOM 0 HH22 ARG A 75 15.592 -6.826 -0.520 1.00 3.82 H new ATOM 1131 N ILE A 76 12.922 0.695 -1.017 1.00 0.43 N ATOM 1132 CA ILE A 76 12.520 1.822 -1.845 1.00 0.48 C ATOM 1133 C ILE A 76 12.447 3.054 -0.974 1.00 0.49 C ATOM 1134 O ILE A 76 12.743 4.169 -1.406 1.00 0.60 O ATOM 1135 CB ILE A 76 11.155 1.593 -2.517 1.00 0.53 C ATOM 1136 CG1 ILE A 76 11.181 0.309 -3.347 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.804 2.792 -3.388 1.00 0.64 C ATOM 1138 CD1 ILE A 76 9.857 -0.022 -4.001 1.00 1.42 C ATOM 0 H ILE A 76 12.221 -0.040 -0.924 1.00 0.43 H new ATOM 0 HA ILE A 76 13.258 1.943 -2.638 1.00 0.48 H new ATOM 0 HB ILE A 76 10.391 1.484 -1.748 1.00 0.53 H new ATOM 0 HG12 ILE A 76 11.944 0.402 -4.120 1.00 0.62 H new ATOM 0 HG13 ILE A 76 11.477 -0.521 -2.706 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.837 2.626 -3.862 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.756 3.689 -2.770 1.00 0.64 H new ATOM 0 HG23 ILE A 76 11.567 2.920 -4.156 1.00 0.64 H new ATOM 0 HD11 ILE A 76 9.954 -0.945 -4.572 1.00 1.42 H new ATOM 0 HD12 ILE A 76 9.094 -0.149 -3.233 1.00 1.42 H new ATOM 0 HD13 ILE A 76 9.568 0.789 -4.669 1.00 1.42 H new ATOM 1150 N GLU A 77 12.070 2.820 0.271 1.00 0.45 N ATOM 1151 CA GLU A 77 11.969 3.873 1.256 1.00 0.52 C ATOM 1152 C GLU A 77 13.344 4.478 1.503 1.00 0.52 C ATOM 1153 O GLU A 77 13.568 5.664 1.260 1.00 0.71 O ATOM 1154 CB GLU A 77 11.396 3.302 2.551 1.00 0.59 C ATOM 1155 CG GLU A 77 10.023 2.671 2.383 1.00 0.95 C ATOM 1156 CD GLU A 77 9.461 2.130 3.686 1.00 1.15 C ATOM 1157 OE1 GLU A 77 10.146 2.249 4.724 1.00 1.59 O ATOM 1158 OE2 GLU A 77 8.336 1.589 3.667 1.00 1.52 O ATOM 0 H GLU A 77 11.826 1.894 0.623 1.00 0.45 H new ATOM 0 HA GLU A 77 11.305 4.656 0.891 1.00 0.52 H new ATOM 0 HB2 GLU A 77 12.085 2.554 2.945 1.00 0.59 H new ATOM 0 HB3 GLU A 77 11.332 4.098 3.293 1.00 0.59 H new ATOM 0 HG2 GLU A 77 9.335 3.412 1.976 1.00 0.95 H new ATOM 0 HG3 GLU A 77 10.087 1.861 1.656 1.00 0.95 H new ATOM 1165 N LEU A 78 14.270 3.643 1.963 1.00 0.47 N ATOM 1166 CA LEU A 78 15.636 4.076 2.223 1.00 0.56 C ATOM 1167 C LEU A 78 16.223 4.752 0.990 1.00 0.57 C ATOM 1168 O LEU A 78 16.949 5.741 1.095 1.00 0.66 O ATOM 1169 CB LEU A 78 16.509 2.879 2.614 1.00 0.63 C ATOM 1170 CG LEU A 78 16.130 2.182 3.923 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.942 0.909 4.102 1.00 0.83 C ATOM 1172 CD2 LEU A 78 16.344 3.116 5.104 1.00 0.84 C ATOM 0 H LEU A 78 14.097 2.658 2.164 1.00 0.47 H new ATOM 0 HA LEU A 78 15.617 4.790 3.047 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.470 2.146 1.809 1.00 0.63 H new ATOM 0 HB3 LEU A 78 17.543 3.216 2.689 1.00 0.63 H new ATOM 0 HG LEU A 78 15.074 1.916 3.878 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.660 0.426 5.038 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.745 0.232 3.271 1.00 0.83 H new ATOM 0 HD13 LEU A 78 18.004 1.155 4.126 1.00 0.83 H new ATOM 0 HD21 LEU A 78 16.070 2.605 6.027 1.00 0.84 H new ATOM 0 HD22 LEU A 78 17.393 3.410 5.150 1.00 0.84 H new ATOM 0 HD23 LEU A 78 15.723 4.004 4.983 1.00 0.84 H new ATOM 1184 N GLN A 79 15.906 4.201 -0.178 1.00 0.56 N ATOM 1185 CA GLN A 79 16.408 4.736 -1.438 1.00 0.63 C ATOM 1186 C GLN A 79 15.755 6.063 -1.810 1.00 0.66 C ATOM 1187 O GLN A 79 16.313 6.827 -2.598 1.00 0.84 O ATOM 1188 CB GLN A 79 16.187 3.728 -2.563 1.00 0.67 C ATOM 1189 CG GLN A 79 17.017 2.470 -2.405 1.00 0.93 C ATOM 1190 CD GLN A 79 16.881 1.512 -3.578 1.00 1.22 C ATOM 1191 OE1 GLN A 79 17.514 0.457 -3.604 1.00 1.95 O ATOM 1192 NE2 GLN A 79 16.052 1.870 -4.556 1.00 1.30 N ATOM 0 H GLN A 79 15.304 3.384 -0.277 1.00 0.56 H new ATOM 0 HA GLN A 79 17.474 4.919 -1.302 1.00 0.63 H new ATOM 0 HB2 GLN A 79 15.132 3.458 -2.599 1.00 0.67 H new ATOM 0 HB3 GLN A 79 16.428 4.198 -3.516 1.00 0.67 H new ATOM 0 HG2 GLN A 79 18.065 2.746 -2.289 1.00 0.93 H new ATOM 0 HG3 GLN A 79 16.719 1.958 -1.490 1.00 0.93 H new ATOM 0 HE21 GLN A 79 15.545 2.753 -4.497 1.00 1.30 H new ATOM 0 HE22 GLN A 79 15.924 1.261 -5.364 1.00 1.30 H new ATOM 1201 N GLN A 80 14.576 6.341 -1.262 1.00 0.54 N ATOM 1202 CA GLN A 80 13.888 7.581 -1.580 1.00 0.59 C ATOM 1203 C GLN A 80 14.299 8.695 -0.629 1.00 0.68 C ATOM 1204 O GLN A 80 13.889 9.846 -0.796 1.00 0.78 O ATOM 1205 CB GLN A 80 12.372 7.377 -1.536 1.00 0.54 C ATOM 1206 CG GLN A 80 11.587 8.578 -2.041 1.00 0.99 C ATOM 1207 CD GLN A 80 10.115 8.286 -2.232 1.00 0.98 C ATOM 1208 OE1 GLN A 80 9.408 7.940 -1.288 1.00 1.68 O ATOM 1209 NE2 GLN A 80 9.644 8.444 -3.460 1.00 0.74 N ATOM 0 H GLN A 80 14.086 5.733 -0.606 1.00 0.54 H new ATOM 0 HA GLN A 80 14.174 7.875 -2.590 1.00 0.59 H new ATOM 0 HB2 GLN A 80 12.113 6.504 -2.135 1.00 0.54 H new ATOM 0 HB3 GLN A 80 12.071 7.160 -0.511 1.00 0.54 H new ATOM 0 HG2 GLN A 80 11.700 9.401 -1.335 1.00 0.99 H new ATOM 0 HG3 GLN A 80 12.012 8.910 -2.988 1.00 0.99 H new ATOM 0 HE21 GLN A 80 10.269 8.733 -4.213 1.00 0.74 H new ATOM 0 HE22 GLN A 80 8.656 8.277 -3.653 1.00 0.74 H new ATOM 1218 N GLY A 81 15.095 8.355 0.380 1.00 0.74 N ATOM 1219 CA GLY A 81 15.510 9.357 1.341 1.00 0.88 C ATOM 1220 C GLY A 81 14.305 9.925 2.051 1.00 0.89 C ATOM 1221 O GLY A 81 14.340 11.028 2.596 1.00 0.99 O ATOM 0 H GLY A 81 15.456 7.416 0.547 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.194 8.916 2.066 1.00 0.88 H new ATOM 0 HA3 GLY A 81 16.053 10.155 0.835 1.00 0.88 H new ATOM 1225 N ARG A 82 13.237 9.140 2.020 1.00 0.95 N ATOM 1226 CA ARG A 82 11.966 9.488 2.632 1.00 1.07 C ATOM 1227 C ARG A 82 12.111 9.705 4.137 1.00 1.09 C ATOM 1228 O ARG A 82 12.963 10.458 4.594 1.00 1.50 O ATOM 1229 CB ARG A 82 10.953 8.372 2.288 1.00 1.34 C ATOM 1230 CG ARG A 82 11.319 6.939 2.719 1.00 1.78 C ATOM 1231 CD ARG A 82 12.499 6.843 3.681 1.00 2.05 C ATOM 1232 NE ARG A 82 12.586 5.525 4.300 1.00 2.68 N ATOM 1233 CZ ARG A 82 13.572 5.143 5.106 1.00 3.14 C ATOM 1234 NH1 ARG A 82 14.595 5.955 5.342 1.00 3.20 N ATOM 1235 NH2 ARG A 82 13.537 3.945 5.672 1.00 3.90 N ATOM 0 H ARG A 82 13.231 8.229 1.561 1.00 0.95 H new ATOM 0 HA ARG A 82 11.602 10.436 2.237 1.00 1.07 H new ATOM 0 HB2 ARG A 82 9.997 8.629 2.744 1.00 1.34 H new ATOM 0 HB3 ARG A 82 10.801 8.373 1.209 1.00 1.34 H new ATOM 0 HG2 ARG A 82 10.448 6.482 3.188 1.00 1.78 H new ATOM 0 HG3 ARG A 82 11.546 6.353 1.828 1.00 1.78 H new ATOM 0 HD2 ARG A 82 13.424 7.055 3.144 1.00 2.05 H new ATOM 0 HD3 ARG A 82 12.399 7.603 4.456 1.00 2.05 H new ATOM 0 HE ARG A 82 11.844 4.854 4.102 1.00 2.68 H new ATOM 0 HH11 ARG A 82 14.627 6.876 4.904 1.00 3.20 H new ATOM 0 HH12 ARG A 82 15.349 5.658 5.961 1.00 3.20 H new ATOM 0 HH21 ARG A 82 12.754 3.317 5.489 1.00 3.90 H new ATOM 0 HH22 ARG A 82 14.293 3.651 6.290 1.00 3.90 H new ATOM 1249 N VAL A 83 11.284 9.021 4.884 1.00 1.01 N ATOM 1250 CA VAL A 83 11.292 9.075 6.329 1.00 1.24 C ATOM 1251 C VAL A 83 12.543 8.398 6.881 1.00 1.17 C ATOM 1252 O VAL A 83 12.677 7.175 6.821 1.00 1.65 O ATOM 1253 CB VAL A 83 10.068 8.318 6.862 1.00 1.94 C ATOM 1254 CG1 VAL A 83 9.887 7.023 6.073 1.00 2.77 C ATOM 1255 CG2 VAL A 83 10.213 8.023 8.350 1.00 2.45 C ATOM 0 H VAL A 83 10.572 8.399 4.502 1.00 1.01 H new ATOM 0 HA VAL A 83 11.274 10.120 6.640 1.00 1.24 H new ATOM 0 HB VAL A 83 9.185 8.944 6.734 1.00 1.94 H new ATOM 0 HG11 VAL A 83 9.018 6.485 6.451 1.00 2.77 H new ATOM 0 HG12 VAL A 83 9.739 7.257 5.019 1.00 2.77 H new ATOM 0 HG13 VAL A 83 10.775 6.401 6.185 1.00 2.77 H new ATOM 0 HG21 VAL A 83 9.332 7.486 8.702 1.00 2.45 H new ATOM 0 HG22 VAL A 83 11.100 7.412 8.515 1.00 2.45 H new ATOM 0 HG23 VAL A 83 10.310 8.960 8.899 1.00 2.45 H new ATOM 1265 N ARG A 84 13.456 9.193 7.423 1.00 1.26 N ATOM 1266 CA ARG A 84 14.686 8.645 7.983 1.00 1.64 C ATOM 1267 C ARG A 84 14.538 8.419 9.481 1.00 1.64 C ATOM 1268 O ARG A 84 15.334 7.707 10.093 1.00 2.28 O ATOM 1269 CB ARG A 84 15.880 9.558 7.695 1.00 2.64 C ATOM 1270 CG ARG A 84 16.140 9.766 6.212 1.00 3.46 C ATOM 1271 CD ARG A 84 15.456 11.019 5.697 1.00 4.08 C ATOM 1272 NE ARG A 84 15.971 12.232 6.331 1.00 4.79 N ATOM 1273 CZ ARG A 84 17.223 12.664 6.198 1.00 5.36 C ATOM 1274 NH1 ARG A 84 18.087 11.995 5.446 1.00 5.36 N ATOM 1275 NH2 ARG A 84 17.612 13.773 6.815 1.00 6.26 N ATOM 0 H ARG A 84 13.371 10.207 7.487 1.00 1.26 H new ATOM 0 HA ARG A 84 14.873 7.685 7.503 1.00 1.64 H new ATOM 0 HB2 ARG A 84 15.709 10.526 8.165 1.00 2.64 H new ATOM 0 HB3 ARG A 84 16.772 9.133 8.156 1.00 2.64 H new ATOM 0 HG2 ARG A 84 17.213 9.838 6.036 1.00 3.46 H new ATOM 0 HG3 ARG A 84 15.783 8.900 5.654 1.00 3.46 H new ATOM 0 HD2 ARG A 84 15.594 11.089 4.618 1.00 4.08 H new ATOM 0 HD3 ARG A 84 14.383 10.945 5.877 1.00 4.08 H new ATOM 0 HE ARG A 84 15.333 12.779 6.909 1.00 4.79 H new ATOM 0 HH11 ARG A 84 17.793 11.144 4.966 1.00 5.36 H new ATOM 0 HH12 ARG A 84 19.045 12.331 5.348 1.00 5.36 H new ATOM 0 HH21 ARG A 84 16.951 14.294 7.391 1.00 6.26 H new ATOM 0 HH22 ARG A 84 18.571 14.104 6.713 1.00 6.26 H new ATOM 1289 N LYS A 85 13.504 9.016 10.062 1.00 1.79 N ATOM 1290 CA LYS A 85 13.239 8.866 11.488 1.00 2.53 C ATOM 1291 C LYS A 85 12.471 7.572 11.741 1.00 2.61 C ATOM 1292 O LYS A 85 12.307 6.756 10.833 1.00 3.08 O ATOM 1293 CB LYS A 85 12.453 10.068 12.017 1.00 3.13 C ATOM 1294 CG LYS A 85 11.094 10.253 11.361 1.00 3.58 C ATOM 1295 CD LYS A 85 10.317 11.397 11.997 1.00 4.39 C ATOM 1296 CE LYS A 85 11.040 12.726 11.838 1.00 5.02 C ATOM 1297 NZ LYS A 85 10.306 13.842 12.494 1.00 5.50 N ATOM 0 H LYS A 85 12.836 9.608 9.568 1.00 1.79 H new ATOM 0 HA LYS A 85 14.190 8.820 12.019 1.00 2.53 H new ATOM 0 HB2 LYS A 85 12.314 9.954 13.092 1.00 3.13 H new ATOM 0 HB3 LYS A 85 13.044 10.971 11.866 1.00 3.13 H new ATOM 0 HG2 LYS A 85 11.226 10.449 10.297 1.00 3.58 H new ATOM 0 HG3 LYS A 85 10.520 9.331 11.446 1.00 3.58 H new ATOM 0 HD2 LYS A 85 9.329 11.463 11.541 1.00 4.39 H new ATOM 0 HD3 LYS A 85 10.166 11.190 13.056 1.00 4.39 H new ATOM 0 HE2 LYS A 85 12.039 12.648 12.266 1.00 5.02 H new ATOM 0 HE3 LYS A 85 11.163 12.947 10.778 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 10.833 14.729 12.362 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 9.361 13.934 12.069 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 10.210 13.644 13.511 1.00 5.50 H new ATOM 1311 N ALA A 86 12.005 7.379 12.970 1.00 2.48 N ATOM 1312 CA ALA A 86 11.264 6.173 13.314 1.00 2.58 C ATOM 1313 C ALA A 86 9.776 6.322 13.010 1.00 2.00 C ATOM 1314 O ALA A 86 9.080 7.125 13.632 1.00 1.95 O ATOM 1315 CB ALA A 86 11.476 5.824 14.780 1.00 3.19 C ATOM 0 H ALA A 86 12.126 8.038 13.739 1.00 2.48 H new ATOM 0 HA ALA A 86 11.646 5.360 12.697 1.00 2.58 H new ATOM 0 HB1 ALA A 86 10.917 4.921 15.024 1.00 3.19 H new ATOM 0 HB2 ALA A 86 12.537 5.654 14.964 1.00 3.19 H new ATOM 0 HB3 ALA A 86 11.127 6.647 15.404 1.00 3.19 H new ATOM 1321 N GLU A 87 9.294 5.524 12.059 1.00 2.01 N ATOM 1322 CA GLU A 87 7.885 5.542 11.676 1.00 1.67 C ATOM 1323 C GLU A 87 7.284 4.150 11.845 1.00 1.90 C ATOM 1324 O GLU A 87 7.804 3.171 11.309 1.00 2.39 O ATOM 1325 CB GLU A 87 7.713 6.005 10.224 1.00 2.04 C ATOM 1326 CG GLU A 87 8.214 5.006 9.193 1.00 2.47 C ATOM 1327 CD GLU A 87 7.830 5.380 7.775 1.00 3.23 C ATOM 1328 OE1 GLU A 87 7.208 6.447 7.588 1.00 3.80 O ATOM 1329 OE2 GLU A 87 8.154 4.606 6.850 1.00 3.66 O ATOM 0 H GLU A 87 9.861 4.855 11.538 1.00 2.01 H new ATOM 0 HA GLU A 87 7.366 6.247 12.325 1.00 1.67 H new ATOM 0 HB2 GLU A 87 6.657 6.204 10.039 1.00 2.04 H new ATOM 0 HB3 GLU A 87 8.243 6.948 10.089 1.00 2.04 H new ATOM 0 HG2 GLU A 87 9.299 4.933 9.263 1.00 2.47 H new ATOM 0 HG3 GLU A 87 7.812 4.020 9.425 1.00 2.47 H new ATOM 1336 N ARG A 88 6.189 4.059 12.585 1.00 1.97 N ATOM 1337 CA ARG A 88 5.534 2.777 12.798 1.00 2.47 C ATOM 1338 C ARG A 88 4.453 2.587 11.743 1.00 2.28 C ATOM 1339 O ARG A 88 4.461 1.618 10.985 1.00 2.54 O ATOM 1340 CB ARG A 88 4.927 2.712 14.202 1.00 2.97 C ATOM 1341 CG ARG A 88 5.097 1.363 14.886 1.00 3.30 C ATOM 1342 CD ARG A 88 4.445 0.236 14.102 1.00 3.95 C ATOM 1343 NE ARG A 88 4.671 -1.067 14.721 1.00 4.47 N ATOM 1344 CZ ARG A 88 5.873 -1.615 14.875 1.00 5.01 C ATOM 1345 NH1 ARG A 88 6.957 -0.987 14.439 1.00 5.17 N ATOM 1346 NH2 ARG A 88 5.992 -2.798 15.462 1.00 5.74 N ATOM 0 H ARG A 88 5.738 4.850 13.045 1.00 1.97 H new ATOM 0 HA ARG A 88 6.270 1.977 12.711 1.00 2.47 H new ATOM 0 HB2 ARG A 88 5.386 3.483 14.821 1.00 2.97 H new ATOM 0 HB3 ARG A 88 3.864 2.945 14.139 1.00 2.97 H new ATOM 0 HG2 ARG A 88 6.159 1.151 15.009 1.00 3.30 H new ATOM 0 HG3 ARG A 88 4.663 1.407 15.885 1.00 3.30 H new ATOM 0 HD2 ARG A 88 3.373 0.420 14.027 1.00 3.95 H new ATOM 0 HD3 ARG A 88 4.839 0.227 13.086 1.00 3.95 H new ATOM 0 HE ARG A 88 3.860 -1.587 15.055 1.00 4.47 H new ATOM 0 HH11 ARG A 88 6.871 -0.079 13.983 1.00 5.17 H new ATOM 0 HH12 ARG A 88 7.876 -1.412 14.560 1.00 5.17 H new ATOM 0 HH21 ARG A 88 5.162 -3.288 15.795 1.00 5.74 H new ATOM 0 HH22 ARG A 88 6.914 -3.218 15.580 1.00 5.74 H new ATOM 1360 N TRP A 89 3.535 3.546 11.693 1.00 1.98 N ATOM 1361 CA TRP A 89 2.442 3.533 10.727 1.00 1.91 C ATOM 1362 C TRP A 89 2.474 4.786 9.854 1.00 1.60 C ATOM 1363 O TRP A 89 2.027 4.770 8.707 1.00 1.71 O ATOM 1364 CB TRP A 89 1.092 3.455 11.445 1.00 2.11 C ATOM 1365 CG TRP A 89 0.764 2.100 12.000 1.00 2.00 C ATOM 1366 CD1 TRP A 89 1.634 1.179 12.506 1.00 2.28 C ATOM 1367 CD2 TRP A 89 -0.540 1.523 12.110 1.00 2.29 C ATOM 1368 NE1 TRP A 89 0.949 0.060 12.916 1.00 2.69 N ATOM 1369 CE2 TRP A 89 -0.389 0.250 12.685 1.00 2.74 C ATOM 1370 CE3 TRP A 89 -1.822 1.965 11.774 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 -1.473 -0.589 12.932 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 -2.898 1.134 12.021 1.00 3.33 C ATOM 1373 CH2 TRP A 89 -2.717 -0.131 12.595 1.00 3.70 C ATOM 0 H TRP A 89 3.527 4.352 12.318 1.00 1.98 H new ATOM 0 HA TRP A 89 2.568 2.654 10.095 1.00 1.91 H new ATOM 0 HB2 TRP A 89 1.085 4.180 12.259 1.00 2.11 H new ATOM 0 HB3 TRP A 89 0.306 3.749 10.749 1.00 2.11 H new ATOM 0 HD1 TRP A 89 2.704 1.310 12.574 1.00 2.28 H new ATOM 0 HE1 TRP A 89 1.368 -0.775 13.325 1.00 2.69 H new ATOM 0 HE3 TRP A 89 -1.969 2.938 11.329 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -1.336 -1.565 13.373 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 -3.894 1.465 11.768 1.00 3.33 H new ATOM 0 HH2 TRP A 89 -3.578 -0.758 12.775 1.00 3.70 H new ATOM 1384 N GLY A 90 2.977 5.879 10.428 1.00 1.35 N ATOM 1385 CA GLY A 90 3.036 7.153 9.728 1.00 1.15 C ATOM 1386 C GLY A 90 3.573 7.067 8.319 1.00 1.08 C ATOM 1387 O GLY A 90 4.625 6.473 8.085 1.00 1.29 O ATOM 0 H GLY A 90 3.349 5.903 11.377 1.00 1.35 H new ATOM 0 HA2 GLY A 90 2.035 7.583 9.697 1.00 1.15 H new ATOM 0 HA3 GLY A 90 3.660 7.839 10.300 1.00 1.15 H new ATOM 1391 N PRO A 91 2.868 7.681 7.356 1.00 0.96 N ATOM 1392 CA PRO A 91 3.292 7.697 5.952 1.00 1.07 C ATOM 1393 C PRO A 91 4.682 8.307 5.812 1.00 1.17 C ATOM 1394 O PRO A 91 5.528 7.800 5.075 1.00 1.60 O ATOM 1395 CB PRO A 91 2.233 8.583 5.279 1.00 1.09 C ATOM 1396 CG PRO A 91 1.047 8.494 6.174 1.00 1.09 C ATOM 1397 CD PRO A 91 1.613 8.433 7.558 1.00 0.91 C ATOM 0 HA PRO A 91 3.361 6.702 5.512 1.00 1.07 H new ATOM 0 HB2 PRO A 91 2.580 9.612 5.182 1.00 1.09 H new ATOM 0 HB3 PRO A 91 2.000 8.229 4.275 1.00 1.09 H new ATOM 0 HG2 PRO A 91 0.394 9.358 6.052 1.00 1.09 H new ATOM 0 HG3 PRO A 91 0.450 7.610 5.952 1.00 1.09 H new ATOM 0 HD2 PRO A 91 1.796 9.427 7.966 1.00 0.91 H new ATOM 0 HD3 PRO A 91 0.941 7.924 8.249 1.00 0.91 H new ATOM 1405 N ARG A 92 4.898 9.391 6.556 1.00 0.93 N ATOM 1406 CA ARG A 92 6.174 10.108 6.580 1.00 1.03 C ATOM 1407 C ARG A 92 6.872 10.099 5.223 1.00 1.13 C ATOM 1408 O ARG A 92 7.979 9.579 5.098 1.00 1.95 O ATOM 1409 CB ARG A 92 7.099 9.501 7.640 1.00 1.21 C ATOM 1410 CG ARG A 92 8.055 10.497 8.298 1.00 1.04 C ATOM 1411 CD ARG A 92 8.869 11.297 7.292 1.00 1.71 C ATOM 1412 NE ARG A 92 9.807 12.203 7.954 1.00 2.57 N ATOM 1413 CZ ARG A 92 10.709 12.936 7.307 1.00 3.53 C ATOM 1414 NH1 ARG A 92 10.816 12.855 5.987 1.00 3.96 N ATOM 1415 NH2 ARG A 92 11.514 13.746 7.982 1.00 4.39 N ATOM 0 H ARG A 92 4.188 9.800 7.164 1.00 0.93 H new ATOM 0 HA ARG A 92 5.954 11.146 6.829 1.00 1.03 H new ATOM 0 HB2 ARG A 92 6.487 9.039 8.415 1.00 1.21 H new ATOM 0 HB3 ARG A 92 7.685 8.706 7.179 1.00 1.21 H new ATOM 0 HG2 ARG A 92 7.482 11.184 8.921 1.00 1.04 H new ATOM 0 HG3 ARG A 92 8.734 9.958 8.959 1.00 1.04 H new ATOM 0 HD2 ARG A 92 9.418 10.615 6.643 1.00 1.71 H new ATOM 0 HD3 ARG A 92 8.197 11.871 6.654 1.00 1.71 H new ATOM 0 HE ARG A 92 9.767 12.277 8.971 1.00 2.57 H new ATOM 0 HH11 ARG A 92 10.205 12.228 5.463 1.00 3.96 H new ATOM 0 HH12 ARG A 92 11.509 13.419 5.496 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.442 13.807 8.998 1.00 4.39 H new ATOM 0 HH22 ARG A 92 12.205 14.308 7.485 1.00 4.39 H new ATOM 1429 N THR A 93 6.215 10.685 4.220 1.00 0.94 N ATOM 1430 CA THR A 93 6.743 10.785 2.862 1.00 0.91 C ATOM 1431 C THR A 93 6.592 9.467 2.125 1.00 0.83 C ATOM 1432 O THR A 93 6.115 9.439 0.993 1.00 1.08 O ATOM 1433 CB THR A 93 8.203 11.248 2.852 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.074 10.174 3.110 1.00 1.52 O ATOM 1435 CG2 THR A 93 8.500 12.317 3.877 1.00 1.47 C ATOM 0 H THR A 93 5.293 11.107 4.331 1.00 0.94 H new ATOM 0 HA THR A 93 6.156 11.541 2.340 1.00 0.91 H new ATOM 0 HB THR A 93 8.361 11.659 1.855 1.00 1.02 H new ATOM 0 HG1 THR A 93 8.994 9.906 4.049 1.00 1.52 H new ATOM 0 HG21 THR A 93 9.551 12.598 3.815 1.00 1.47 H new ATOM 0 HG22 THR A 93 7.878 13.191 3.682 1.00 1.47 H new ATOM 0 HG23 THR A 93 8.285 11.934 4.875 1.00 1.47 H new ATOM 1443 N LEU A 94 6.977 8.365 2.757 1.00 0.68 N ATOM 1444 CA LEU A 94 6.827 7.079 2.106 1.00 0.64 C ATOM 1445 C LEU A 94 6.665 5.936 3.100 1.00 0.56 C ATOM 1446 O LEU A 94 7.298 5.904 4.155 1.00 0.71 O ATOM 1447 CB LEU A 94 8.003 6.789 1.172 1.00 0.72 C ATOM 1448 CG LEU A 94 7.936 5.437 0.455 1.00 1.00 C ATOM 1449 CD1 LEU A 94 6.739 5.385 -0.481 1.00 1.44 C ATOM 1450 CD2 LEU A 94 9.222 5.164 -0.306 1.00 1.87 C ATOM 0 H LEU A 94 7.383 8.338 3.692 1.00 0.68 H new ATOM 0 HA LEU A 94 5.911 7.142 1.519 1.00 0.64 H new ATOM 0 HB2 LEU A 94 8.057 7.579 0.423 1.00 0.72 H new ATOM 0 HB3 LEU A 94 8.927 6.833 1.749 1.00 0.72 H new ATOM 0 HG LEU A 94 7.816 4.659 1.209 1.00 1.00 H new ATOM 0 HD11 LEU A 94 6.710 4.417 -0.981 1.00 1.44 H new ATOM 0 HD12 LEU A 94 5.823 5.526 0.092 1.00 1.44 H new ATOM 0 HD13 LEU A 94 6.826 6.175 -1.227 1.00 1.44 H new ATOM 0 HD21 LEU A 94 9.150 4.198 -0.807 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.379 5.947 -1.048 1.00 1.87 H new ATOM 0 HD23 LEU A 94 10.061 5.150 0.390 1.00 1.87 H new ATOM 1462 N ASP A 95 5.814 4.993 2.721 1.00 0.52 N ATOM 1463 CA ASP A 95 5.535 3.810 3.521 1.00 0.53 C ATOM 1464 C ASP A 95 4.733 2.822 2.685 1.00 0.46 C ATOM 1465 O ASP A 95 3.502 2.845 2.690 1.00 0.59 O ATOM 1466 CB ASP A 95 4.763 4.186 4.788 1.00 0.73 C ATOM 1467 CG ASP A 95 4.443 2.981 5.650 1.00 1.16 C ATOM 1468 OD1 ASP A 95 5.391 2.301 6.096 1.00 1.72 O ATOM 1469 OD2 ASP A 95 3.244 2.715 5.877 1.00 1.64 O ATOM 0 H ASP A 95 5.295 5.028 1.844 1.00 0.52 H new ATOM 0 HA ASP A 95 6.476 3.351 3.825 1.00 0.53 H new ATOM 0 HB2 ASP A 95 5.348 4.899 5.368 1.00 0.73 H new ATOM 0 HB3 ASP A 95 3.836 4.687 4.510 1.00 0.73 H new ATOM 1474 N LEU A 96 5.437 1.972 1.946 1.00 0.38 N ATOM 1475 CA LEU A 96 4.785 0.995 1.082 1.00 0.36 C ATOM 1476 C LEU A 96 5.003 -0.432 1.587 1.00 0.40 C ATOM 1477 O LEU A 96 6.072 -1.015 1.409 1.00 0.53 O ATOM 1478 CB LEU A 96 5.282 1.150 -0.369 1.00 0.43 C ATOM 1479 CG LEU A 96 6.762 0.840 -0.620 1.00 0.52 C ATOM 1480 CD1 LEU A 96 7.039 0.768 -2.113 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.651 1.892 0.027 1.00 0.89 C ATOM 0 H LEU A 96 6.456 1.940 1.928 1.00 0.38 H new ATOM 0 HA LEU A 96 3.712 1.186 1.104 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.684 0.499 -1.006 1.00 0.43 H new ATOM 0 HB3 LEU A 96 5.089 2.174 -0.689 1.00 0.43 H new ATOM 0 HG LEU A 96 6.989 -0.127 -0.171 1.00 0.52 H new ATOM 0 HD11 LEU A 96 8.094 0.547 -2.277 1.00 0.97 H new ATOM 0 HD12 LEU A 96 6.430 -0.019 -2.559 1.00 0.97 H new ATOM 0 HD13 LEU A 96 6.792 1.724 -2.575 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.697 1.652 -0.164 1.00 0.89 H new ATOM 0 HD22 LEU A 96 7.421 2.871 -0.393 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.473 1.908 1.102 1.00 0.89 H new ATOM 1493 N ASP A 97 3.974 -0.988 2.223 1.00 0.38 N ATOM 1494 CA ASP A 97 4.040 -2.347 2.755 1.00 0.44 C ATOM 1495 C ASP A 97 2.901 -3.195 2.202 1.00 0.39 C ATOM 1496 O ASP A 97 1.771 -2.722 2.069 1.00 0.40 O ATOM 1497 CB ASP A 97 3.977 -2.339 4.287 1.00 0.55 C ATOM 1498 CG ASP A 97 5.083 -1.511 4.920 1.00 1.14 C ATOM 1499 OD1 ASP A 97 5.925 -0.977 4.168 1.00 1.45 O ATOM 1500 OD2 ASP A 97 5.105 -1.393 6.162 1.00 1.93 O ATOM 0 H ASP A 97 3.083 -0.517 2.383 1.00 0.38 H new ATOM 0 HA ASP A 97 4.991 -2.779 2.445 1.00 0.44 H new ATOM 0 HB2 ASP A 97 3.010 -1.948 4.604 1.00 0.55 H new ATOM 0 HB3 ASP A 97 4.042 -3.363 4.654 1.00 0.55 H new ATOM 1505 N ILE A 98 3.203 -4.449 1.886 1.00 0.39 N ATOM 1506 CA ILE A 98 2.202 -5.367 1.351 1.00 0.36 C ATOM 1507 C ILE A 98 0.989 -5.471 2.266 1.00 0.35 C ATOM 1508 O ILE A 98 1.117 -5.705 3.469 1.00 0.53 O ATOM 1509 CB ILE A 98 2.791 -6.777 1.123 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.666 -6.794 -0.128 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.684 -7.821 1.009 1.00 0.44 C ATOM 1512 CD1 ILE A 98 2.927 -6.415 -1.394 1.00 1.20 C ATOM 0 H ILE A 98 4.133 -4.854 1.991 1.00 0.39 H new ATOM 0 HA ILE A 98 1.886 -4.955 0.393 1.00 0.36 H new ATOM 0 HB ILE A 98 3.408 -7.028 1.986 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.501 -6.108 0.014 1.00 0.48 H new ATOM 0 HG13 ILE A 98 4.090 -7.791 -0.250 1.00 0.48 H new ATOM 0 HG21 ILE A 98 2.126 -8.804 0.849 1.00 0.44 H new ATOM 0 HG22 ILE A 98 1.098 -7.832 1.928 1.00 0.44 H new ATOM 0 HG23 ILE A 98 1.036 -7.574 0.168 1.00 0.44 H new ATOM 0 HD11 ILE A 98 3.613 -6.450 -2.240 1.00 1.20 H new ATOM 0 HD12 ILE A 98 2.109 -7.116 -1.561 1.00 1.20 H new ATOM 0 HD13 ILE A 98 2.526 -5.407 -1.293 1.00 1.20 H new ATOM 1524 N MET A 99 -0.188 -5.315 1.674 1.00 0.32 N ATOM 1525 CA MET A 99 -1.441 -5.410 2.409 1.00 0.36 C ATOM 1526 C MET A 99 -2.261 -6.578 1.877 1.00 0.33 C ATOM 1527 O MET A 99 -3.138 -7.101 2.561 1.00 0.37 O ATOM 1528 CB MET A 99 -2.234 -4.107 2.286 1.00 0.43 C ATOM 1529 CG MET A 99 -1.510 -2.895 2.851 1.00 0.68 C ATOM 1530 SD MET A 99 -1.100 -3.082 4.599 1.00 1.56 S ATOM 1531 CE MET A 99 -2.727 -3.291 5.314 1.00 2.37 C ATOM 0 H MET A 99 -0.300 -5.121 0.679 1.00 0.32 H new ATOM 0 HA MET A 99 -1.220 -5.579 3.463 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.459 -3.927 1.235 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.188 -4.222 2.801 1.00 0.43 H new ATOM 0 HG2 MET A 99 -0.595 -2.726 2.283 1.00 0.68 H new ATOM 0 HG3 MET A 99 -2.134 -2.011 2.721 1.00 0.68 H new ATOM 0 HE1 MET A 99 -2.643 -3.347 6.399 1.00 2.37 H new ATOM 0 HE2 MET A 99 -3.356 -2.443 5.042 1.00 2.37 H new ATOM 0 HE3 MET A 99 -3.175 -4.210 4.937 1.00 2.37 H new ATOM 1541 N LEU A 100 -1.947 -6.988 0.651 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.627 -8.101 0.005 1.00 0.30 C ATOM 1543 C LEU A 100 -1.704 -8.733 -1.027 1.00 0.31 C ATOM 1544 O LEU A 100 -1.051 -8.025 -1.795 1.00 0.58 O ATOM 1545 CB LEU A 100 -3.934 -7.630 -0.651 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.213 -8.176 -0.012 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.442 -7.615 -0.707 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.228 -9.698 -0.057 1.00 0.43 C ATOM 0 H LEU A 100 -1.217 -6.559 0.082 1.00 0.30 H new ATOM 0 HA LEU A 100 -2.881 -8.848 0.758 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -3.967 -6.541 -0.619 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -3.920 -7.918 -1.702 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.233 -7.861 1.031 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.340 -8.016 -0.237 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.443 -6.528 -0.624 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.426 -7.898 -1.759 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.145 -10.067 0.402 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.182 -10.032 -1.094 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.368 -10.087 0.488 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.627 -10.058 -1.033 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.753 -10.750 -1.969 1.00 0.36 C ATOM 1562 C PHE A 101 -1.380 -12.058 -2.446 1.00 0.38 C ATOM 1563 O PHE A 101 -1.177 -13.113 -1.844 1.00 0.88 O ATOM 1564 CB PHE A 101 0.602 -11.025 -1.312 1.00 0.46 C ATOM 1565 CG PHE A 101 1.706 -11.275 -2.297 1.00 0.70 C ATOM 1566 CD1 PHE A 101 2.305 -10.220 -2.968 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.149 -12.560 -2.547 1.00 1.10 C ATOM 1568 CE1 PHE A 101 3.326 -10.447 -3.872 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.169 -12.794 -3.452 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.757 -11.735 -4.115 1.00 1.75 C ATOM 0 H PHE A 101 -2.153 -10.668 -0.408 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.609 -10.108 -2.838 1.00 0.36 H new ATOM 0 HB2 PHE A 101 0.871 -10.176 -0.684 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.509 -11.890 -0.655 1.00 0.46 H new ATOM 0 HD1 PHE A 101 1.970 -9.210 -2.783 1.00 1.13 H new ATOM 0 HD2 PHE A 101 1.694 -13.391 -2.030 1.00 1.10 H new ATOM 0 HE1 PHE A 101 3.786 -9.617 -4.388 1.00 1.59 H new ATOM 0 HE2 PHE A 101 3.505 -13.803 -3.640 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.553 -11.915 -4.823 1.00 1.75 H new ATOM 1580 N GLY A 102 -2.133 -11.977 -3.539 1.00 0.58 N ATOM 1581 CA GLY A 102 -2.773 -13.156 -4.095 1.00 0.60 C ATOM 1582 C GLY A 102 -3.667 -13.871 -3.099 1.00 0.73 C ATOM 1583 O GLY A 102 -4.564 -13.265 -2.511 1.00 1.49 O ATOM 0 H GLY A 102 -2.312 -11.113 -4.051 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -3.365 -12.866 -4.963 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -2.007 -13.846 -4.448 1.00 0.60 H new ATOM 1587 N ASN A 103 -3.425 -15.165 -2.918 1.00 0.56 N ATOM 1588 CA ASN A 103 -4.214 -15.976 -1.996 1.00 0.58 C ATOM 1589 C ASN A 103 -3.340 -16.551 -0.888 1.00 0.52 C ATOM 1590 O ASN A 103 -3.844 -17.130 0.072 1.00 0.67 O ATOM 1591 CB ASN A 103 -4.882 -17.126 -2.747 1.00 0.76 C ATOM 1592 CG ASN A 103 -3.861 -18.097 -3.307 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -3.131 -17.776 -4.245 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -3.789 -19.282 -2.717 1.00 0.90 N ATOM 0 H ASN A 103 -2.686 -15.677 -3.400 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.973 -15.332 -1.552 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -5.558 -17.655 -2.075 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -5.489 -16.726 -3.560 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -3.108 -19.971 -3.037 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -4.414 -19.505 -1.943 1.00 0.90 H new ATOM 1601 N GLU A 104 -2.027 -16.404 -1.033 1.00 0.43 N ATOM 1602 CA GLU A 104 -1.102 -16.926 -0.052 1.00 0.42 C ATOM 1603 C GLU A 104 -1.227 -16.214 1.282 1.00 0.42 C ATOM 1604 O GLU A 104 -1.758 -15.104 1.369 1.00 0.58 O ATOM 1605 CB GLU A 104 0.327 -16.819 -0.560 1.00 0.51 C ATOM 1606 CG GLU A 104 0.659 -15.490 -1.217 1.00 0.56 C ATOM 1607 CD GLU A 104 0.603 -15.562 -2.732 1.00 1.57 C ATOM 1608 OE1 GLU A 104 -0.501 -15.779 -3.273 1.00 2.29 O ATOM 1609 OE2 GLU A 104 1.656 -15.390 -3.378 1.00 2.14 O ATOM 0 H GLU A 104 -1.587 -15.928 -1.821 1.00 0.43 H new ATOM 0 HA GLU A 104 -1.356 -17.975 0.103 1.00 0.42 H new ATOM 0 HB2 GLU A 104 1.010 -16.979 0.274 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.506 -17.620 -1.277 1.00 0.51 H new ATOM 0 HG2 GLU A 104 -0.039 -14.730 -0.866 1.00 0.56 H new ATOM 0 HG3 GLU A 104 1.655 -15.174 -0.908 1.00 0.56 H new ATOM 1616 N VAL A 105 -0.731 -16.872 2.315 1.00 0.50 N ATOM 1617 CA VAL A 105 -0.764 -16.340 3.664 1.00 0.56 C ATOM 1618 C VAL A 105 0.530 -16.677 4.393 1.00 0.61 C ATOM 1619 O VAL A 105 0.650 -17.730 5.022 1.00 0.72 O ATOM 1620 CB VAL A 105 -1.967 -16.896 4.443 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -1.867 -16.558 5.925 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -3.263 -16.352 3.863 1.00 0.67 C ATOM 0 H VAL A 105 -0.294 -17.791 2.241 1.00 0.50 H new ATOM 0 HA VAL A 105 -0.866 -15.257 3.601 1.00 0.56 H new ATOM 0 HB VAL A 105 -1.962 -17.982 4.345 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -2.732 -16.964 6.450 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -0.956 -16.992 6.337 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -1.842 -15.476 6.050 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -4.108 -16.752 4.423 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -3.264 -15.264 3.933 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -3.347 -16.649 2.818 1.00 0.67 H new ATOM 1632 N ILE A 106 1.501 -15.781 4.288 1.00 0.58 N ATOM 1633 CA ILE A 106 2.793 -15.977 4.918 1.00 0.64 C ATOM 1634 C ILE A 106 3.242 -14.709 5.625 1.00 0.61 C ATOM 1635 O ILE A 106 3.719 -13.778 4.987 1.00 0.57 O ATOM 1636 CB ILE A 106 3.866 -16.363 3.882 1.00 0.74 C ATOM 1637 CG1 ILE A 106 3.415 -17.581 3.074 1.00 0.76 C ATOM 1638 CG2 ILE A 106 5.194 -16.639 4.572 1.00 1.31 C ATOM 1639 CD1 ILE A 106 4.343 -17.917 1.927 1.00 1.45 C ATOM 0 H ILE A 106 1.415 -14.907 3.769 1.00 0.58 H new ATOM 0 HA ILE A 106 2.679 -16.786 5.640 1.00 0.64 H new ATOM 0 HB ILE A 106 4.002 -15.528 3.195 1.00 0.74 H new ATOM 0 HG12 ILE A 106 3.343 -18.442 3.738 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.415 -17.397 2.681 1.00 0.76 H new ATOM 0 HG21 ILE A 106 5.942 -16.910 3.827 1.00 1.31 H new ATOM 0 HG22 ILE A 106 5.520 -15.746 5.104 1.00 1.31 H new ATOM 0 HG23 ILE A 106 5.073 -17.459 5.280 1.00 1.31 H new ATOM 0 HD11 ILE A 106 3.964 -18.790 1.396 1.00 1.45 H new ATOM 0 HD12 ILE A 106 4.396 -17.071 1.242 1.00 1.45 H new ATOM 0 HD13 ILE A 106 5.338 -18.132 2.315 1.00 1.45 H new ATOM 1651 N ASN A 107 3.108 -14.687 6.942 1.00 0.84 N ATOM 1652 CA ASN A 107 3.530 -13.532 7.716 1.00 0.90 C ATOM 1653 C ASN A 107 4.987 -13.706 8.096 1.00 0.91 C ATOM 1654 O ASN A 107 5.322 -14.520 8.956 1.00 1.02 O ATOM 1655 CB ASN A 107 2.670 -13.369 8.972 1.00 1.09 C ATOM 1656 CG ASN A 107 1.204 -13.117 8.661 1.00 1.00 C ATOM 1657 OD1 ASN A 107 0.388 -12.964 9.571 1.00 1.28 O ATOM 1658 ND2 ASN A 107 0.856 -13.068 7.379 1.00 1.21 N ATOM 0 H ASN A 107 2.714 -15.449 7.493 1.00 0.84 H new ATOM 0 HA ASN A 107 3.408 -12.632 7.113 1.00 0.90 H new ATOM 0 HB2 ASN A 107 2.757 -14.267 9.584 1.00 1.09 H new ATOM 0 HB3 ASN A 107 3.057 -12.541 9.565 1.00 1.09 H new ATOM 0 HD21 ASN A 107 -0.116 -12.899 7.121 1.00 1.21 H new ATOM 0 HD22 ASN A 107 1.561 -13.200 6.654 1.00 1.21 H new ATOM 1665 N THR A 108 5.855 -12.962 7.429 1.00 0.86 N ATOM 1666 CA THR A 108 7.281 -13.070 7.683 1.00 0.89 C ATOM 1667 C THR A 108 7.751 -12.040 8.708 1.00 0.91 C ATOM 1668 O THR A 108 6.961 -11.544 9.511 1.00 1.16 O ATOM 1669 CB THR A 108 8.050 -12.921 6.374 1.00 0.90 C ATOM 1670 OG1 THR A 108 7.218 -13.246 5.278 1.00 1.07 O ATOM 1671 CG2 THR A 108 9.253 -13.825 6.294 1.00 0.92 C ATOM 0 H THR A 108 5.599 -12.282 6.713 1.00 0.86 H new ATOM 0 HA THR A 108 7.479 -14.056 8.104 1.00 0.89 H new ATOM 0 HB THR A 108 8.379 -11.883 6.341 1.00 0.90 H new ATOM 0 HG1 THR A 108 7.171 -14.220 5.181 1.00 1.07 H new ATOM 0 HG21 THR A 108 9.759 -13.674 5.340 1.00 0.92 H new ATOM 0 HG22 THR A 108 9.938 -13.592 7.109 1.00 0.92 H new ATOM 0 HG23 THR A 108 8.933 -14.864 6.374 1.00 0.92 H new ATOM 1679 N GLU A 109 9.044 -11.726 8.675 1.00 0.83 N ATOM 1680 CA GLU A 109 9.623 -10.761 9.604 1.00 0.86 C ATOM 1681 C GLU A 109 9.038 -9.376 9.371 1.00 0.73 C ATOM 1682 O GLU A 109 8.070 -8.982 10.024 1.00 0.87 O ATOM 1683 CB GLU A 109 11.146 -10.724 9.451 1.00 0.95 C ATOM 1684 CG GLU A 109 11.829 -12.044 9.776 1.00 1.22 C ATOM 1685 CD GLU A 109 11.668 -12.447 11.228 1.00 1.93 C ATOM 1686 OE1 GLU A 109 10.514 -12.658 11.661 1.00 2.60 O ATOM 1687 OE2 GLU A 109 12.691 -12.553 11.936 1.00 2.37 O ATOM 0 H GLU A 109 9.710 -12.126 8.014 1.00 0.83 H new ATOM 0 HA GLU A 109 9.379 -11.073 10.620 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.392 -10.441 8.428 1.00 0.95 H new ATOM 0 HB3 GLU A 109 11.548 -9.948 10.102 1.00 0.95 H new ATOM 0 HG2 GLU A 109 11.418 -12.827 9.139 1.00 1.22 H new ATOM 0 HG3 GLU A 109 12.890 -11.966 9.541 1.00 1.22 H new ATOM 1694 N ARG A 110 9.614 -8.646 8.425 1.00 0.63 N ATOM 1695 CA ARG A 110 9.131 -7.316 8.091 1.00 0.64 C ATOM 1696 C ARG A 110 7.963 -7.439 7.130 1.00 0.66 C ATOM 1697 O ARG A 110 7.221 -6.483 6.897 1.00 0.77 O ATOM 1698 CB ARG A 110 10.246 -6.479 7.457 1.00 0.63 C ATOM 1699 CG ARG A 110 11.489 -6.367 8.326 1.00 0.86 C ATOM 1700 CD ARG A 110 12.560 -5.518 7.660 1.00 1.64 C ATOM 1701 NE ARG A 110 13.764 -5.404 8.481 1.00 2.22 N ATOM 1702 CZ ARG A 110 13.790 -4.829 9.681 1.00 2.77 C ATOM 1703 NH1 ARG A 110 12.686 -4.307 10.199 1.00 3.01 N ATOM 1704 NH2 ARG A 110 14.927 -4.773 10.364 1.00 3.68 N ATOM 0 H ARG A 110 10.417 -8.954 7.876 1.00 0.63 H new ATOM 0 HA ARG A 110 8.807 -6.815 9.003 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.521 -6.920 6.499 1.00 0.63 H new ATOM 0 HB3 ARG A 110 9.866 -5.479 7.250 1.00 0.63 H new ATOM 0 HG2 ARG A 110 11.223 -5.930 9.288 1.00 0.86 H new ATOM 0 HG3 ARG A 110 11.885 -7.363 8.527 1.00 0.86 H new ATOM 0 HD2 ARG A 110 12.820 -5.955 6.696 1.00 1.64 H new ATOM 0 HD3 ARG A 110 12.162 -4.523 7.462 1.00 1.64 H new ATOM 0 HE ARG A 110 14.635 -5.787 8.113 1.00 2.22 H new ATOM 0 HH11 ARG A 110 11.810 -4.345 9.677 1.00 3.01 H new ATOM 0 HH12 ARG A 110 12.713 -3.868 11.119 1.00 3.01 H new ATOM 0 HH21 ARG A 110 15.779 -5.170 9.969 1.00 3.68 H new ATOM 0 HH22 ARG A 110 14.948 -4.333 11.284 1.00 3.68 H new ATOM 1718 N LEU A 111 7.814 -8.638 6.577 1.00 0.62 N ATOM 1719 CA LEU A 111 6.746 -8.929 5.636 1.00 0.63 C ATOM 1720 C LEU A 111 5.475 -9.346 6.357 1.00 0.56 C ATOM 1721 O LEU A 111 5.513 -10.028 7.381 1.00 0.66 O ATOM 1722 CB LEU A 111 7.182 -10.043 4.673 1.00 0.73 C ATOM 1723 CG LEU A 111 6.121 -10.534 3.675 1.00 0.94 C ATOM 1724 CD1 LEU A 111 5.121 -11.460 4.341 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.401 -9.372 3.014 1.00 1.64 C ATOM 0 H LEU A 111 8.428 -9.429 6.769 1.00 0.62 H new ATOM 0 HA LEU A 111 6.538 -8.019 5.073 1.00 0.63 H new ATOM 0 HB2 LEU A 111 8.045 -9.689 4.109 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.516 -10.895 5.265 1.00 0.73 H new ATOM 0 HG LEU A 111 6.646 -11.095 2.902 1.00 0.94 H new ATOM 0 HD11 LEU A 111 4.385 -11.789 3.607 1.00 1.15 H new ATOM 0 HD12 LEU A 111 5.642 -12.327 4.746 1.00 1.15 H new ATOM 0 HD13 LEU A 111 4.616 -10.930 5.149 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.658 -9.755 2.315 1.00 1.64 H new ATOM 0 HD22 LEU A 111 4.906 -8.770 3.776 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.122 -8.756 2.476 1.00 1.64 H new ATOM 1737 N THR A 112 4.350 -8.955 5.782 1.00 0.46 N ATOM 1738 CA THR A 112 3.047 -9.300 6.309 1.00 0.42 C ATOM 1739 C THR A 112 2.098 -9.605 5.162 1.00 0.39 C ATOM 1740 O THR A 112 1.988 -8.824 4.217 1.00 0.43 O ATOM 1741 CB THR A 112 2.477 -8.163 7.157 1.00 0.45 C ATOM 1742 OG1 THR A 112 2.793 -6.905 6.590 1.00 0.65 O ATOM 1743 CG2 THR A 112 2.960 -8.170 8.591 1.00 0.68 C ATOM 0 H THR A 112 4.318 -8.388 4.935 1.00 0.46 H new ATOM 0 HA THR A 112 3.156 -10.179 6.944 1.00 0.42 H new ATOM 0 HB THR A 112 1.400 -8.328 7.166 1.00 0.45 H new ATOM 0 HG1 THR A 112 2.418 -6.191 7.147 1.00 0.65 H new ATOM 0 HG21 THR A 112 2.513 -7.334 9.130 1.00 0.68 H new ATOM 0 HG22 THR A 112 2.670 -9.106 9.068 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.046 -8.075 8.610 1.00 0.68 H new ATOM 1751 N VAL A 113 1.397 -10.725 5.253 1.00 0.36 N ATOM 1752 CA VAL A 113 0.449 -11.088 4.222 1.00 0.38 C ATOM 1753 C VAL A 113 -0.863 -10.360 4.566 1.00 0.32 C ATOM 1754 O VAL A 113 -0.897 -9.713 5.610 1.00 0.30 O ATOM 1755 CB VAL A 113 0.280 -12.631 4.154 1.00 0.45 C ATOM 1756 CG1 VAL A 113 -1.002 -13.096 4.829 1.00 1.52 C ATOM 1757 CG2 VAL A 113 0.358 -13.123 2.713 1.00 1.18 C ATOM 0 H VAL A 113 1.468 -11.389 6.024 1.00 0.36 H new ATOM 0 HA VAL A 113 0.789 -10.789 3.231 1.00 0.38 H new ATOM 0 HB VAL A 113 1.107 -13.073 4.709 1.00 0.45 H new ATOM 0 HG11 VAL A 113 -1.078 -14.181 4.757 1.00 1.52 H new ATOM 0 HG12 VAL A 113 -0.988 -12.802 5.879 1.00 1.52 H new ATOM 0 HG13 VAL A 113 -1.860 -12.639 4.336 1.00 1.52 H new ATOM 0 HG21 VAL A 113 0.237 -14.206 2.691 1.00 1.18 H new ATOM 0 HG22 VAL A 113 -0.434 -12.658 2.126 1.00 1.18 H new ATOM 0 HG23 VAL A 113 1.327 -12.858 2.290 1.00 1.18 H new ATOM 1767 N PRO A 114 -1.949 -10.414 3.743 1.00 0.35 N ATOM 1768 CA PRO A 114 -3.202 -9.729 4.038 1.00 0.36 C ATOM 1769 C PRO A 114 -3.320 -9.341 5.509 1.00 0.33 C ATOM 1770 O PRO A 114 -3.680 -10.157 6.358 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.215 -10.790 3.627 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.569 -11.487 2.454 1.00 0.46 C ATOM 1773 CD PRO A 114 -2.090 -11.133 2.473 1.00 0.42 C ATOM 0 HA PRO A 114 -3.324 -8.776 3.524 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.416 -11.486 4.442 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -5.169 -10.342 3.348 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -3.706 -12.566 2.525 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -4.028 -11.169 1.518 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -1.460 -12.022 2.438 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -1.811 -10.511 1.622 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.968 -8.088 5.799 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.974 -7.570 7.154 1.00 0.33 C ATOM 1783 C HIS A 115 -4.373 -7.166 7.582 1.00 0.34 C ATOM 1784 O HIS A 115 -4.957 -6.243 7.015 1.00 0.46 O ATOM 1785 CB HIS A 115 -2.040 -6.359 7.232 1.00 0.39 C ATOM 1786 CG HIS A 115 -1.714 -5.916 8.624 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -2.665 -5.745 9.608 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -0.526 -5.590 9.191 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -2.078 -5.334 10.717 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -0.781 -5.233 10.490 1.00 0.67 N ATOM 0 H HIS A 115 -2.672 -7.410 5.097 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.629 -8.354 7.828 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -1.112 -6.598 6.713 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -2.499 -5.527 6.697 1.00 0.39 H new ATOM 0 HD2 HIS A 115 0.440 -5.608 8.709 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -2.574 -5.117 11.651 1.00 0.87 H new ATOM 0 HE2 HIS A 115 -0.082 -4.937 11.171 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.890 -7.840 8.601 1.00 0.34 N ATOM 1800 CA TYR A 116 -6.210 -7.513 9.123 1.00 0.42 C ATOM 1801 C TYR A 116 -6.235 -6.047 9.530 1.00 0.43 C ATOM 1802 O TYR A 116 -5.864 -5.694 10.651 1.00 0.49 O ATOM 1803 CB TYR A 116 -6.574 -8.418 10.310 1.00 0.52 C ATOM 1804 CG TYR A 116 -5.395 -8.876 11.155 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -4.325 -8.031 11.441 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -5.362 -10.164 11.674 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -3.261 -8.460 12.215 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -4.303 -10.599 12.448 1.00 1.31 C ATOM 1809 CZ TYR A 116 -3.257 -9.744 12.715 1.00 1.68 C ATOM 1810 OH TYR A 116 -2.201 -10.174 13.486 1.00 2.22 O ATOM 0 H TYR A 116 -4.421 -8.609 9.079 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.955 -7.684 8.346 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -7.276 -7.885 10.951 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -7.093 -9.298 9.931 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -4.326 -7.024 11.052 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -6.180 -10.839 11.469 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -2.439 -7.792 12.426 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -4.296 -11.605 12.842 1.00 1.31 H new ATOM 0 HH TYR A 116 -2.353 -11.102 13.760 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.634 -5.187 8.596 1.00 0.42 N ATOM 1821 CA ASP A 117 -6.655 -3.755 8.846 1.00 0.50 C ATOM 1822 C ASP A 117 -7.289 -3.008 7.677 1.00 0.52 C ATOM 1823 O ASP A 117 -8.135 -2.134 7.863 1.00 0.73 O ATOM 1824 CB ASP A 117 -5.219 -3.266 9.032 1.00 0.52 C ATOM 1825 CG ASP A 117 -5.150 -1.915 9.718 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -5.693 -0.938 9.159 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -4.549 -1.831 10.808 1.00 0.87 O ATOM 0 H ASP A 117 -6.945 -5.459 7.664 1.00 0.42 H new ATOM 0 HA ASP A 117 -7.246 -3.563 9.742 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -4.663 -3.997 9.619 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -4.732 -3.201 8.059 1.00 0.52 H new ATOM 1832 N MET A 118 -6.841 -3.356 6.477 1.00 0.38 N ATOM 1833 CA MET A 118 -7.312 -2.732 5.246 1.00 0.39 C ATOM 1834 C MET A 118 -8.830 -2.636 5.184 1.00 0.38 C ATOM 1835 O MET A 118 -9.382 -1.645 4.706 1.00 0.45 O ATOM 1836 CB MET A 118 -6.826 -3.534 4.041 1.00 0.44 C ATOM 1837 CG MET A 118 -7.325 -4.971 4.005 1.00 0.48 C ATOM 1838 SD MET A 118 -7.128 -5.730 2.379 1.00 1.29 S ATOM 1839 CE MET A 118 -5.411 -5.364 2.036 1.00 2.05 C ATOM 0 H MET A 118 -6.139 -4.081 6.329 1.00 0.38 H new ATOM 0 HA MET A 118 -6.907 -1.720 5.230 1.00 0.39 H new ATOM 0 HB2 MET A 118 -7.144 -3.028 3.130 1.00 0.44 H new ATOM 0 HB3 MET A 118 -5.736 -3.540 4.038 1.00 0.44 H new ATOM 0 HG2 MET A 118 -6.783 -5.559 4.745 1.00 0.48 H new ATOM 0 HG3 MET A 118 -8.377 -4.994 4.288 1.00 0.48 H new ATOM 0 HE1 MET A 118 -5.120 -5.831 1.095 1.00 2.05 H new ATOM 0 HE2 MET A 118 -5.277 -4.285 1.962 1.00 2.05 H new ATOM 0 HE3 MET A 118 -4.788 -5.753 2.842 1.00 2.05 H new ATOM 1849 N LYS A 119 -9.489 -3.681 5.642 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.940 -3.757 5.614 1.00 0.47 C ATOM 1851 C LYS A 119 -11.586 -2.760 6.566 1.00 0.50 C ATOM 1852 O LYS A 119 -12.638 -2.199 6.262 1.00 0.80 O ATOM 1853 CB LYS A 119 -11.364 -5.180 5.946 1.00 0.57 C ATOM 1854 CG LYS A 119 -10.615 -5.754 7.133 1.00 0.69 C ATOM 1855 CD LYS A 119 -11.000 -7.203 7.402 1.00 0.80 C ATOM 1856 CE LYS A 119 -10.614 -8.110 6.245 1.00 1.02 C ATOM 1857 NZ LYS A 119 -9.150 -8.080 5.977 1.00 1.93 N ATOM 0 H LYS A 119 -9.037 -4.502 6.044 1.00 0.40 H new ATOM 0 HA LYS A 119 -11.283 -3.493 4.614 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -12.434 -5.196 6.155 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -11.199 -5.816 5.076 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -9.542 -5.692 6.950 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -10.823 -5.153 8.018 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -10.510 -7.547 8.313 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -12.074 -7.269 7.573 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -10.921 -9.132 6.468 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -11.153 -7.803 5.349 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -8.895 -8.873 5.354 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -8.900 -7.182 5.515 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -8.631 -8.164 6.874 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.958 -2.534 7.712 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.496 -1.593 8.682 1.00 0.52 C ATOM 1873 C ASN A 120 -10.998 -0.180 8.383 1.00 0.56 C ATOM 1874 O ASN A 120 -10.859 0.646 9.286 1.00 0.74 O ATOM 1875 CB ASN A 120 -11.123 -2.020 10.110 1.00 0.53 C ATOM 1876 CG ASN A 120 -9.650 -1.857 10.438 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -9.060 -0.797 10.238 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -9.051 -2.912 10.978 1.00 1.30 N ATOM 0 H ASN A 120 -10.086 -2.984 7.990 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.583 -1.593 8.605 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -11.709 -1.435 10.818 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -11.403 -3.064 10.251 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -8.067 -2.860 11.243 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -9.575 -3.774 11.128 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.737 0.084 7.100 1.00 0.49 N ATOM 1886 CA ARG A 121 -10.248 1.388 6.656 1.00 0.58 C ATOM 1887 C ARG A 121 -10.654 1.650 5.206 1.00 0.63 C ATOM 1888 O ARG A 121 -11.411 0.883 4.612 1.00 1.07 O ATOM 1889 CB ARG A 121 -8.721 1.444 6.761 1.00 0.64 C ATOM 1890 CG ARG A 121 -8.179 1.286 8.173 1.00 0.91 C ATOM 1891 CD ARG A 121 -8.282 2.580 8.969 1.00 1.24 C ATOM 1892 NE ARG A 121 -9.663 3.028 9.131 1.00 1.84 N ATOM 1893 CZ ARG A 121 -10.013 4.124 9.797 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -9.086 4.888 10.358 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -11.293 4.457 9.901 1.00 3.50 N ATOM 0 H ARG A 121 -10.858 -0.594 6.348 1.00 0.49 H new ATOM 0 HA ARG A 121 -10.690 2.150 7.298 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -8.297 0.660 6.133 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -8.377 2.396 6.358 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -8.730 0.499 8.687 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -7.137 0.969 8.129 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -7.833 2.435 9.951 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -7.707 3.358 8.467 1.00 1.24 H new ATOM 0 HE ARG A 121 -10.402 2.467 8.708 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -8.101 4.636 10.279 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -9.358 5.728 10.868 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -12.009 3.872 9.470 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -11.561 5.298 10.412 1.00 3.50 H new ATOM 1909 N GLY A 122 -10.131 2.736 4.642 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.429 3.084 3.266 1.00 0.61 C ATOM 1911 C GLY A 122 -9.168 3.361 2.473 1.00 0.56 C ATOM 1912 O GLY A 122 -9.209 3.509 1.252 1.00 0.70 O ATOM 0 H GLY A 122 -9.503 3.383 5.118 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -10.983 2.271 2.797 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.073 3.963 3.244 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.040 3.418 3.172 1.00 0.52 N ATOM 1917 CA PHE A 123 -6.757 3.666 2.534 1.00 0.58 C ATOM 1918 C PHE A 123 -6.363 2.472 1.677 1.00 0.42 C ATOM 1919 O PHE A 123 -5.769 2.623 0.613 1.00 0.43 O ATOM 1920 CB PHE A 123 -5.693 3.971 3.602 1.00 0.84 C ATOM 1921 CG PHE A 123 -4.266 3.965 3.105 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -3.942 4.430 1.838 1.00 2.11 C ATOM 1923 CD2 PHE A 123 -3.248 3.489 3.916 1.00 1.62 C ATOM 1924 CE1 PHE A 123 -2.632 4.415 1.393 1.00 3.16 C ATOM 1925 CE2 PHE A 123 -1.938 3.473 3.476 1.00 2.59 C ATOM 1926 CZ PHE A 123 -1.631 3.938 2.212 1.00 3.31 C ATOM 0 H PHE A 123 -7.990 3.295 4.183 1.00 0.52 H new ATOM 0 HA PHE A 123 -6.836 4.535 1.880 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -5.906 4.948 4.036 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -5.785 3.239 4.404 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -4.721 4.808 1.192 1.00 2.11 H new ATOM 0 HD2 PHE A 123 -3.482 3.125 4.906 1.00 1.62 H new ATOM 0 HE1 PHE A 123 -2.394 4.777 0.404 1.00 3.16 H new ATOM 0 HE2 PHE A 123 -1.156 3.098 4.119 1.00 2.59 H new ATOM 0 HZ PHE A 123 -0.608 3.928 1.866 1.00 3.31 H new ATOM 1936 N MET A 124 -6.711 1.281 2.140 1.00 0.37 N ATOM 1937 CA MET A 124 -6.406 0.067 1.400 1.00 0.38 C ATOM 1938 C MET A 124 -7.532 -0.301 0.434 1.00 0.38 C ATOM 1939 O MET A 124 -7.334 -0.341 -0.773 1.00 0.57 O ATOM 1940 CB MET A 124 -6.142 -1.091 2.359 1.00 0.50 C ATOM 1941 CG MET A 124 -4.782 -1.028 3.041 1.00 0.90 C ATOM 1942 SD MET A 124 -4.524 0.493 3.971 1.00 1.99 S ATOM 1943 CE MET A 124 -5.863 0.407 5.156 1.00 2.44 C ATOM 0 H MET A 124 -7.203 1.130 3.021 1.00 0.37 H new ATOM 0 HA MET A 124 -5.508 0.258 0.813 1.00 0.38 H new ATOM 0 HB2 MET A 124 -6.920 -1.103 3.122 1.00 0.50 H new ATOM 0 HB3 MET A 124 -6.219 -2.030 1.810 1.00 0.50 H new ATOM 0 HG2 MET A 124 -4.681 -1.879 3.714 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.000 -1.122 2.287 1.00 0.90 H new ATOM 0 HE1 MET A 124 -5.944 1.358 5.683 1.00 2.44 H new ATOM 0 HE2 MET A 124 -6.798 0.201 4.635 1.00 2.44 H new ATOM 0 HE3 MET A 124 -5.664 -0.390 5.873 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.704 -0.592 0.990 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.876 -0.998 0.205 1.00 0.41 C ATOM 1955 C LEU A 125 -10.143 -0.110 -1.011 1.00 0.34 C ATOM 1956 O LEU A 125 -10.079 -0.571 -2.150 1.00 0.40 O ATOM 1957 CB LEU A 125 -11.122 -1.000 1.091 1.00 0.53 C ATOM 1958 CG LEU A 125 -11.068 -1.929 2.305 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -12.362 -1.835 3.099 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -10.806 -3.364 1.874 1.00 0.76 C ATOM 0 H LEU A 125 -8.873 -0.555 1.995 1.00 0.37 H new ATOM 0 HA LEU A 125 -9.653 -1.998 -0.168 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -11.298 0.017 1.442 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.980 -1.280 0.480 1.00 0.53 H new ATOM 0 HG LEU A 125 -10.245 -1.613 2.945 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -12.310 -2.501 3.960 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -12.505 -0.810 3.441 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -13.200 -2.126 2.465 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -10.772 -4.007 2.753 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -11.605 -3.697 1.212 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -9.853 -3.418 1.348 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.498 1.145 -0.756 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.846 2.087 -1.821 1.00 0.32 C ATOM 1974 C TRP A 126 -9.835 2.081 -2.979 1.00 0.29 C ATOM 1975 O TRP A 126 -10.215 1.804 -4.118 1.00 0.31 O ATOM 1976 CB TRP A 126 -11.002 3.497 -1.238 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.271 4.556 -2.264 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -10.646 5.764 -2.364 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.234 4.513 -3.325 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.155 6.474 -3.422 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.130 5.727 -4.029 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -13.169 3.564 -3.752 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -12.927 6.019 -5.133 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -13.961 3.856 -4.847 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -13.835 5.075 -5.528 1.00 1.93 C ATOM 0 H TRP A 126 -10.553 1.538 0.184 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.796 1.762 -2.245 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.817 3.491 -0.515 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -10.094 3.756 -0.693 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -9.864 6.112 -1.706 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -10.856 7.406 -3.710 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -13.270 2.621 -3.236 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -12.832 6.958 -5.659 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -14.689 3.133 -5.183 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -14.467 5.273 -6.381 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.545 2.390 -2.736 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.536 2.413 -3.803 1.00 0.29 C ATOM 1998 C PRO A 127 -7.242 1.029 -4.380 1.00 0.28 C ATOM 1999 O PRO A 127 -7.050 0.882 -5.587 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.288 2.984 -3.120 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.783 3.596 -1.855 1.00 0.31 C ATOM 2002 CD PRO A 127 -7.961 2.764 -1.438 1.00 0.29 C ATOM 0 HA PRO A 127 -7.878 3.001 -4.654 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.556 2.202 -2.919 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.798 3.725 -3.751 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -6.009 3.591 -1.088 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -7.072 4.636 -2.009 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.660 1.891 -0.859 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.662 3.328 -0.822 1.00 0.29 H new ATOM 2010 N LEU A 128 -7.206 0.013 -3.519 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.935 -1.355 -3.962 1.00 0.26 C ATOM 2012 C LEU A 128 -8.030 -1.821 -4.910 1.00 0.27 C ATOM 2013 O LEU A 128 -7.804 -2.652 -5.790 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.870 -2.305 -2.767 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.739 -3.317 -2.797 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.425 -2.634 -2.452 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -6.021 -4.455 -1.832 1.00 0.44 C ATOM 0 H LEU A 128 -7.360 0.110 -2.515 1.00 0.25 H new ATOM 0 HA LEU A 128 -5.974 -1.363 -4.477 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.779 -1.711 -1.858 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.815 -2.844 -2.702 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.663 -3.734 -3.801 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.617 -3.366 -2.475 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -4.222 -1.847 -3.178 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.492 -2.199 -1.455 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -5.201 -5.172 -1.865 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.116 -4.059 -0.821 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.949 -4.952 -2.116 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.214 -1.262 -4.713 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.378 -1.582 -5.532 1.00 0.30 C ATOM 2031 C PHE A 129 -10.118 -1.191 -6.986 1.00 0.30 C ATOM 2032 O PHE A 129 -10.848 -1.583 -7.892 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.601 -0.827 -4.997 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.881 -1.114 -5.732 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.425 -2.387 -5.727 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.538 -0.111 -6.426 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.601 -2.656 -6.401 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.713 -0.372 -7.103 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.252 -1.637 -7.085 1.00 0.58 C ATOM 0 H PHE A 129 -9.397 -0.574 -3.982 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.567 -2.654 -5.486 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.736 -1.079 -3.945 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.401 0.243 -5.045 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -12.924 -3.179 -5.190 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -13.126 0.887 -6.438 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -15.012 -3.655 -6.396 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -15.209 0.418 -7.647 1.00 0.56 H new ATOM 0 HZ PHE A 129 -16.179 -1.838 -7.601 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.075 -0.393 -7.188 1.00 0.29 N ATOM 2050 CA GLU A 130 -8.704 0.077 -8.515 1.00 0.31 C ATOM 2051 C GLU A 130 -7.472 -0.647 -9.047 1.00 0.29 C ATOM 2052 O GLU A 130 -7.350 -0.879 -10.250 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.443 1.586 -8.483 1.00 0.36 C ATOM 2054 CG GLU A 130 -7.986 2.162 -9.815 1.00 0.93 C ATOM 2055 CD GLU A 130 -9.035 2.041 -10.906 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -10.145 1.543 -10.617 1.00 1.52 O ATOM 2057 OE2 GLU A 130 -8.748 2.452 -12.051 1.00 2.43 O ATOM 0 H GLU A 130 -8.467 -0.056 -6.441 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.536 -0.139 -9.186 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -9.355 2.096 -8.172 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -7.686 1.798 -7.728 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -7.729 3.213 -9.681 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -7.078 1.650 -10.133 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.544 -0.982 -8.150 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.315 -1.653 -8.557 1.00 0.27 C ATOM 2066 C ILE A 131 -5.589 -3.094 -8.957 1.00 0.27 C ATOM 2067 O ILE A 131 -4.906 -3.652 -9.813 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.263 -1.621 -7.428 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.490 -2.740 -6.398 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.301 -0.266 -6.740 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.333 -2.921 -5.447 1.00 0.59 C ATOM 0 H ILE A 131 -6.620 -0.801 -7.149 1.00 0.26 H new ATOM 0 HA ILE A 131 -4.921 -1.115 -9.419 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.283 -1.785 -7.876 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.391 -2.519 -5.825 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.669 -3.678 -6.924 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.559 -0.242 -5.942 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -4.080 0.517 -7.466 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.292 -0.100 -6.318 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.559 -3.726 -4.748 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.435 -3.172 -6.011 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.168 -1.996 -4.895 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.620 -3.663 -8.350 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.042 -5.033 -8.636 1.00 0.25 C ATOM 2085 C ALA A 132 -8.039 -5.529 -7.596 1.00 0.23 C ATOM 2086 O ALA A 132 -7.664 -6.149 -6.606 1.00 0.28 O ATOM 2087 CB ALA A 132 -5.849 -5.978 -8.708 1.00 0.30 C ATOM 0 H ALA A 132 -7.189 -3.192 -7.646 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.531 -5.023 -9.610 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.198 -6.988 -8.922 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.174 -5.652 -9.499 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.321 -5.971 -7.754 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.333 -5.255 -7.803 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.384 -5.665 -6.885 1.00 0.31 C ATOM 2095 C PRO A 133 -10.984 -7.013 -7.258 1.00 0.35 C ATOM 2096 O PRO A 133 -12.066 -7.376 -6.795 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.390 -4.552 -7.076 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.329 -4.278 -8.541 1.00 0.37 C ATOM 2099 CD PRO A 133 -9.890 -4.508 -8.948 1.00 0.29 C ATOM 0 HA PRO A 133 -10.040 -5.800 -5.860 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.390 -4.856 -6.765 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -11.129 -3.670 -6.491 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.000 -4.939 -9.090 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.638 -3.256 -8.760 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -9.819 -5.078 -9.874 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.362 -3.568 -9.111 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.263 -7.756 -8.091 1.00 0.32 N ATOM 2108 CA GLU A 134 -10.705 -9.073 -8.522 1.00 0.37 C ATOM 2109 C GLU A 134 -10.059 -10.107 -7.629 1.00 0.37 C ATOM 2110 O GLU A 134 -10.052 -11.303 -7.913 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.326 -9.319 -9.985 1.00 0.44 C ATOM 2112 CG GLU A 134 -8.830 -9.244 -10.245 1.00 0.46 C ATOM 2113 CD GLU A 134 -8.477 -9.494 -11.699 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -8.795 -10.589 -12.207 1.00 1.14 O ATOM 2115 OE2 GLU A 134 -7.885 -8.593 -12.329 1.00 0.87 O ATOM 0 H GLU A 134 -9.367 -7.465 -8.481 1.00 0.32 H new ATOM 0 HA GLU A 134 -11.790 -9.140 -8.446 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -10.690 -10.301 -10.286 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -10.833 -8.585 -10.612 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.463 -8.261 -9.950 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.319 -9.976 -9.620 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.497 -9.596 -6.548 1.00 0.30 N ATOM 2123 CA LEU A 135 -8.805 -10.401 -5.570 1.00 0.35 C ATOM 2124 C LEU A 135 -9.783 -11.104 -4.652 1.00 0.34 C ATOM 2125 O LEU A 135 -10.784 -10.525 -4.242 1.00 0.39 O ATOM 2126 CB LEU A 135 -7.892 -9.493 -4.759 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.753 -10.184 -4.018 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -7.241 -10.769 -2.701 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -6.119 -11.271 -4.877 1.00 1.41 C ATOM 0 H LEU A 135 -9.511 -8.600 -6.327 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.222 -11.167 -6.082 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.464 -8.748 -5.430 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.500 -8.955 -4.031 1.00 0.41 H new ATOM 0 HG LEU A 135 -5.993 -9.433 -3.803 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -6.411 -11.257 -2.190 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -7.635 -9.971 -2.072 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -8.027 -11.499 -2.896 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -5.310 -11.747 -4.323 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -6.871 -12.017 -5.133 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -5.722 -10.828 -5.790 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.479 -12.347 -4.322 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.328 -13.127 -3.439 1.00 0.38 C ATOM 2143 C VAL A 136 -9.484 -13.947 -2.470 1.00 0.42 C ATOM 2144 O VAL A 136 -8.580 -14.675 -2.882 1.00 0.53 O ATOM 2145 CB VAL A 136 -11.267 -14.056 -4.236 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.477 -14.900 -5.226 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -12.074 -14.945 -3.299 1.00 0.44 C ATOM 0 H VAL A 136 -8.649 -12.839 -4.653 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.942 -12.428 -2.872 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.963 -13.432 -4.796 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -11.159 -15.548 -5.777 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.953 -14.247 -5.924 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -9.753 -15.511 -4.687 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.729 -15.591 -3.884 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -11.396 -15.558 -2.705 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.676 -14.323 -2.636 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.778 -13.821 -1.179 1.00 0.46 N ATOM 2158 CA PHE A 137 -9.043 -14.550 -0.158 1.00 0.53 C ATOM 2159 C PHE A 137 -9.359 -16.039 -0.240 1.00 0.57 C ATOM 2160 O PHE A 137 -10.403 -16.425 -0.767 1.00 0.60 O ATOM 2161 CB PHE A 137 -9.393 -14.017 1.238 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.951 -12.599 1.493 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -9.297 -11.572 0.626 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -8.188 -12.295 2.611 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.890 -10.274 0.868 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.778 -10.999 2.858 1.00 0.68 C ATOM 2167 CZ PHE A 137 -8.130 -9.987 1.985 1.00 0.64 C ATOM 0 H PHE A 137 -10.520 -13.221 -0.818 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.977 -14.405 -0.332 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.472 -14.079 1.377 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -8.938 -14.666 1.986 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.892 -11.790 -0.249 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -7.911 -13.082 3.297 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -9.166 -9.485 0.184 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -7.183 -10.777 3.732 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.811 -8.973 2.176 1.00 0.64 H new ATOM 2177 N PRO A 138 -8.467 -16.900 0.284 1.00 0.60 N ATOM 2178 CA PRO A 138 -8.677 -18.351 0.269 1.00 0.66 C ATOM 2179 C PRO A 138 -10.059 -18.726 0.792 1.00 0.73 C ATOM 2180 O PRO A 138 -10.554 -19.828 0.549 1.00 0.78 O ATOM 2181 CB PRO A 138 -7.586 -18.874 1.204 1.00 0.70 C ATOM 2182 CG PRO A 138 -6.505 -17.854 1.127 1.00 0.75 C ATOM 2183 CD PRO A 138 -7.195 -16.532 0.936 1.00 0.62 C ATOM 0 HA PRO A 138 -8.625 -18.769 -0.736 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -7.956 -18.983 2.223 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -7.229 -19.854 0.888 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -5.904 -17.853 2.037 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -5.829 -18.064 0.299 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -7.363 -16.025 1.886 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -6.606 -15.857 0.315 1.00 0.62 H new ATOM 2191 N ASP A 139 -10.676 -17.792 1.508 1.00 0.77 N ATOM 2192 CA ASP A 139 -12.003 -17.995 2.073 1.00 0.87 C ATOM 2193 C ASP A 139 -13.072 -17.876 0.990 1.00 0.80 C ATOM 2194 O ASP A 139 -13.808 -18.826 0.719 1.00 1.03 O ATOM 2195 CB ASP A 139 -12.268 -16.963 3.169 1.00 0.92 C ATOM 2196 CG ASP A 139 -13.504 -17.286 3.985 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -14.603 -17.366 3.398 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -13.372 -17.460 5.216 1.00 1.91 O ATOM 0 H ASP A 139 -10.272 -16.878 1.712 1.00 0.77 H new ATOM 0 HA ASP A 139 -12.045 -18.997 2.500 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -11.403 -16.911 3.831 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -12.383 -15.978 2.716 1.00 0.92 H new ATOM 2203 N GLY A 140 -13.148 -16.696 0.380 1.00 0.59 N ATOM 2204 CA GLY A 140 -14.127 -16.462 -0.667 1.00 0.59 C ATOM 2205 C GLY A 140 -14.476 -14.992 -0.820 1.00 0.61 C ATOM 2206 O GLY A 140 -15.209 -14.615 -1.734 1.00 0.95 O ATOM 0 H GLY A 140 -12.549 -15.898 0.592 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -13.740 -16.840 -1.613 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -15.033 -17.026 -0.445 1.00 0.59 H new ATOM 2210 N GLU A 141 -13.948 -14.159 0.076 1.00 0.51 N ATOM 2211 CA GLU A 141 -14.209 -12.724 0.032 1.00 0.62 C ATOM 2212 C GLU A 141 -13.320 -12.031 -0.991 1.00 0.53 C ATOM 2213 O GLU A 141 -12.321 -12.587 -1.438 1.00 0.59 O ATOM 2214 CB GLU A 141 -13.995 -12.090 1.407 1.00 0.86 C ATOM 2215 CG GLU A 141 -15.142 -12.324 2.378 1.00 1.38 C ATOM 2216 CD GLU A 141 -15.217 -13.751 2.888 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -14.307 -14.547 2.575 1.00 2.76 O ATOM 2218 OE2 GLU A 141 -16.181 -14.070 3.614 1.00 2.53 O ATOM 0 H GLU A 141 -13.339 -14.454 0.839 1.00 0.51 H new ATOM 0 HA GLU A 141 -15.250 -12.593 -0.265 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -13.078 -12.488 1.841 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -13.850 -11.017 1.283 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -15.034 -11.648 3.226 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -16.082 -12.072 1.887 1.00 1.38 H new ATOM 2225 N MET A 142 -13.698 -10.810 -1.354 1.00 0.48 N ATOM 2226 CA MET A 142 -12.947 -10.021 -2.329 1.00 0.41 C ATOM 2227 C MET A 142 -12.954 -8.551 -1.931 1.00 0.37 C ATOM 2228 O MET A 142 -13.764 -8.148 -1.100 1.00 0.39 O ATOM 2229 CB MET A 142 -13.577 -10.173 -3.715 1.00 0.42 C ATOM 2230 CG MET A 142 -13.650 -11.611 -4.204 1.00 0.49 C ATOM 2231 SD MET A 142 -14.377 -11.750 -5.849 1.00 0.55 S ATOM 2232 CE MET A 142 -16.010 -11.075 -5.560 1.00 1.68 C ATOM 0 H MET A 142 -14.526 -10.341 -0.986 1.00 0.48 H new ATOM 0 HA MET A 142 -11.919 -10.382 -2.354 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.584 -9.755 -3.694 1.00 0.42 H new ATOM 0 HB3 MET A 142 -13.003 -9.585 -4.431 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.647 -12.037 -4.217 1.00 0.49 H new ATOM 0 HG3 MET A 142 -14.238 -12.200 -3.500 1.00 0.49 H new ATOM 0 HE1 MET A 142 -16.748 -11.661 -6.108 1.00 1.68 H new ATOM 0 HE2 MET A 142 -16.236 -11.112 -4.494 1.00 1.68 H new ATOM 0 HE3 MET A 142 -16.042 -10.040 -5.902 1.00 1.68 H new ATOM 2242 N LEU A 143 -12.079 -7.736 -2.533 1.00 0.38 N ATOM 2243 CA LEU A 143 -12.064 -6.319 -2.217 1.00 0.39 C ATOM 2244 C LEU A 143 -13.451 -5.760 -2.497 1.00 0.41 C ATOM 2245 O LEU A 143 -13.896 -4.798 -1.874 1.00 0.50 O ATOM 2246 CB LEU A 143 -11.010 -5.593 -3.061 1.00 0.44 C ATOM 2247 CG LEU A 143 -10.503 -4.257 -2.498 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -11.630 -3.247 -2.357 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -9.807 -4.473 -1.163 1.00 1.56 C ATOM 0 H LEU A 143 -11.391 -8.032 -3.225 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.806 -6.170 -1.169 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -10.156 -6.258 -3.191 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -11.427 -5.413 -4.052 1.00 0.44 H new ATOM 0 HG LEU A 143 -9.782 -3.849 -3.207 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -11.234 -2.314 -1.956 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -12.077 -3.062 -3.334 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -12.388 -3.640 -1.680 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -9.454 -3.516 -0.778 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -10.508 -4.913 -0.454 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -8.959 -5.145 -1.299 1.00 1.56 H new ATOM 2261 N ARG A 144 -14.141 -6.408 -3.430 1.00 0.39 N ATOM 2262 CA ARG A 144 -15.491 -6.014 -3.800 1.00 0.47 C ATOM 2263 C ARG A 144 -16.465 -6.376 -2.687 1.00 0.49 C ATOM 2264 O ARG A 144 -17.268 -5.546 -2.256 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.904 -6.693 -5.107 1.00 0.54 C ATOM 2266 CG ARG A 144 -17.348 -6.433 -5.506 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.666 -4.946 -5.523 1.00 0.88 C ATOM 2268 NE ARG A 144 -19.012 -4.681 -6.025 1.00 1.47 N ATOM 2269 CZ ARG A 144 -19.538 -3.464 -6.123 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -18.835 -2.401 -5.759 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -20.771 -3.310 -6.587 1.00 2.83 N ATOM 0 H ARG A 144 -13.783 -7.212 -3.945 1.00 0.39 H new ATOM 0 HA ARG A 144 -15.512 -4.934 -3.948 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -15.249 -6.349 -5.907 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.752 -7.768 -5.011 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -17.535 -6.857 -6.493 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -18.015 -6.940 -4.809 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -17.569 -4.543 -4.515 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -16.938 -4.426 -6.146 1.00 0.88 H new ATOM 0 HE ARG A 144 -19.581 -5.475 -6.317 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -17.886 -2.515 -5.402 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -19.243 -1.469 -5.836 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -21.315 -4.125 -6.869 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -21.175 -2.376 -6.662 1.00 2.83 H new ATOM 2285 N GLN A 145 -16.382 -7.616 -2.218 1.00 0.47 N ATOM 2286 CA GLN A 145 -17.246 -8.083 -1.143 1.00 0.52 C ATOM 2287 C GLN A 145 -17.002 -7.264 0.120 1.00 0.48 C ATOM 2288 O GLN A 145 -17.919 -7.021 0.904 1.00 0.56 O ATOM 2289 CB GLN A 145 -17.005 -9.575 -0.883 1.00 0.57 C ATOM 2290 CG GLN A 145 -17.765 -10.127 0.315 1.00 0.64 C ATOM 2291 CD GLN A 145 -17.083 -9.839 1.642 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -17.658 -10.064 2.707 1.00 0.67 O ATOM 2293 NE2 GLN A 145 -15.844 -9.358 1.590 1.00 0.52 N ATOM 0 H GLN A 145 -15.725 -8.315 -2.566 1.00 0.47 H new ATOM 0 HA GLN A 145 -18.287 -7.951 -1.440 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -17.290 -10.138 -1.772 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -15.938 -9.739 -0.730 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -18.768 -9.700 0.329 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -17.879 -11.205 0.199 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -15.402 -9.185 0.687 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -15.336 -9.162 2.453 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.755 -6.837 0.306 1.00 0.40 N ATOM 2303 CA ILE A 146 -15.386 -6.040 1.467 1.00 0.40 C ATOM 2304 C ILE A 146 -15.989 -4.644 1.376 1.00 0.43 C ATOM 2305 O ILE A 146 -16.707 -4.219 2.279 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.856 -5.930 1.623 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -13.235 -7.323 1.756 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -13.515 -5.076 2.836 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.722 -7.313 1.819 1.00 0.78 C ATOM 0 H ILE A 146 -14.985 -7.031 -0.334 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.784 -6.551 2.344 1.00 0.40 H new ATOM 0 HB ILE A 146 -13.444 -5.453 0.734 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -13.624 -7.800 2.656 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -13.550 -7.934 0.910 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -12.432 -5.004 2.938 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.934 -4.078 2.708 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.934 -5.533 3.732 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -11.355 -8.335 1.913 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -11.323 -6.866 0.908 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -11.398 -6.730 2.681 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.708 -3.933 0.282 1.00 0.42 N ATOM 2322 CA LEU A 147 -16.250 -2.589 0.099 1.00 0.50 C ATOM 2323 C LEU A 147 -17.777 -2.606 0.121 1.00 0.59 C ATOM 2324 O LEU A 147 -18.415 -1.562 0.247 1.00 0.72 O ATOM 2325 CB LEU A 147 -15.759 -1.969 -1.208 1.00 0.55 C ATOM 2326 CG LEU A 147 -14.343 -1.391 -1.161 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -13.966 -0.794 -2.508 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -14.238 -0.338 -0.068 1.00 0.62 C ATOM 0 H LEU A 147 -15.116 -4.262 -0.481 1.00 0.42 H new ATOM 0 HA LEU A 147 -15.893 -1.980 0.929 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -15.799 -2.728 -1.990 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -16.449 -1.176 -1.498 1.00 0.55 H new ATOM 0 HG LEU A 147 -13.647 -2.199 -0.935 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -12.956 -0.388 -2.456 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -14.006 -1.569 -3.274 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -14.665 0.003 -2.761 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -13.225 0.064 -0.046 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -14.944 0.467 -0.270 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -14.469 -0.790 0.896 1.00 0.62 H new ATOM 2340 N HIS A 148 -18.358 -3.795 0.000 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.808 -3.937 0.013 1.00 0.73 C ATOM 2342 C HIS A 148 -20.335 -3.860 1.443 1.00 0.79 C ATOM 2343 O HIS A 148 -21.436 -3.366 1.687 1.00 0.90 O ATOM 2344 CB HIS A 148 -20.220 -5.263 -0.632 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.703 -5.467 -0.695 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -22.500 -5.556 0.425 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -22.534 -5.594 -1.758 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.757 -5.730 0.057 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.804 -5.755 -1.262 1.00 1.34 N ATOM 0 H HIS A 148 -17.848 -4.672 -0.108 1.00 0.59 H new ATOM 0 HA HIS A 148 -20.241 -3.120 -0.564 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.813 -5.307 -1.642 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.773 -6.084 -0.072 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -22.250 -5.573 -2.800 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -24.602 -5.834 0.722 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -24.648 -5.875 -1.822 1.00 1.34 H new ATOM 2358 N THR A 149 -19.532 -4.347 2.386 1.00 0.77 N ATOM 2359 CA THR A 149 -19.905 -4.335 3.796 1.00 0.88 C ATOM 2360 C THR A 149 -19.426 -3.053 4.470 1.00 0.86 C ATOM 2361 O THR A 149 -20.130 -2.474 5.297 1.00 0.94 O ATOM 2362 CB THR A 149 -19.312 -5.553 4.508 1.00 0.90 C ATOM 2363 OG1 THR A 149 -19.773 -6.753 3.914 1.00 1.10 O ATOM 2364 CG2 THR A 149 -19.646 -5.611 5.982 1.00 1.18 C ATOM 0 H THR A 149 -18.617 -4.756 2.197 1.00 0.77 H new ATOM 0 HA THR A 149 -20.992 -4.376 3.864 1.00 0.88 H new ATOM 0 HB THR A 149 -18.232 -5.449 4.404 1.00 0.90 H new ATOM 0 HG1 THR A 149 -19.382 -7.521 4.381 1.00 1.10 H new ATOM 0 HG21 THR A 149 -19.194 -6.499 6.423 1.00 1.18 H new ATOM 0 HG22 THR A 149 -19.258 -4.722 6.478 1.00 1.18 H new ATOM 0 HG23 THR A 149 -20.728 -5.654 6.109 1.00 1.18 H new ATOM 2372 N ARG A 150 -18.222 -2.618 4.110 1.00 0.86 N ATOM 2373 CA ARG A 150 -17.642 -1.406 4.677 1.00 0.93 C ATOM 2374 C ARG A 150 -18.132 -0.167 3.936 1.00 0.95 C ATOM 2375 O ARG A 150 -18.642 0.771 4.550 1.00 1.05 O ATOM 2376 CB ARG A 150 -16.110 -1.467 4.616 1.00 0.99 C ATOM 2377 CG ARG A 150 -15.496 -2.642 5.364 1.00 0.96 C ATOM 2378 CD ARG A 150 -15.731 -2.557 6.866 1.00 1.26 C ATOM 2379 NE ARG A 150 -17.135 -2.755 7.222 1.00 2.01 N ATOM 2380 CZ ARG A 150 -17.595 -2.711 8.469 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -16.766 -2.477 9.479 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -18.885 -2.902 8.709 1.00 3.55 N ATOM 0 H ARG A 150 -17.628 -3.088 3.427 1.00 0.86 H new ATOM 0 HA ARG A 150 -17.960 -1.340 5.718 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.802 -1.516 3.572 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -15.705 -0.541 5.024 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.919 -3.572 4.984 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -14.424 -2.675 5.167 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -15.122 -3.308 7.369 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -15.401 -1.583 7.228 1.00 1.26 H new ATOM 0 HE ARG A 150 -17.800 -2.937 6.471 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -15.773 -2.330 9.300 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -17.122 -2.444 10.434 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -19.526 -3.083 7.937 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -19.236 -2.868 9.666 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.962 -0.169 2.615 1.00 0.94 N ATOM 2397 CA ALA A 151 -18.374 0.958 1.782 1.00 1.04 C ATOM 2398 C ALA A 151 -17.558 2.200 2.118 1.00 1.11 C ATOM 2399 O ALA A 151 -18.110 3.246 2.464 1.00 1.59 O ATOM 2400 CB ALA A 151 -19.862 1.230 1.947 1.00 1.61 C ATOM 0 H ALA A 151 -17.541 -0.941 2.098 1.00 0.94 H new ATOM 0 HA ALA A 151 -18.188 0.700 0.739 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -20.150 2.073 1.319 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -20.428 0.347 1.651 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -20.075 1.465 2.990 1.00 1.61 H new ATOM 2406 N PHE A 152 -16.238 2.075 2.020 1.00 1.09 N ATOM 2407 CA PHE A 152 -15.339 3.175 2.317 1.00 1.61 C ATOM 2408 C PHE A 152 -14.779 3.794 1.040 1.00 1.38 C ATOM 2409 O PHE A 152 -13.564 3.844 0.844 1.00 1.90 O ATOM 2410 CB PHE A 152 -14.195 2.699 3.222 1.00 2.51 C ATOM 2411 CG PHE A 152 -14.600 2.432 4.650 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -15.864 1.954 4.959 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -13.710 2.667 5.687 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -16.231 1.714 6.271 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -14.072 2.430 6.999 1.00 5.41 C ATOM 2416 CZ PHE A 152 -15.334 1.952 7.290 1.00 5.37 C ATOM 0 H PHE A 152 -15.769 1.215 1.735 1.00 1.09 H new ATOM 0 HA PHE A 152 -15.910 3.942 2.840 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.770 1.788 2.801 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -13.406 3.451 3.215 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -16.572 1.766 4.165 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -12.721 3.040 5.466 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -17.219 1.341 6.497 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -13.368 2.619 7.796 1.00 5.41 H new ATOM 0 HZ PHE A 152 -15.618 1.765 8.315 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.672 4.295 0.186 1.00 1.04 N ATOM 2427 CA ASP A 153 -15.261 4.944 -1.057 1.00 1.18 C ATOM 2428 C ASP A 153 -14.717 6.334 -0.747 1.00 1.01 C ATOM 2429 O ASP A 153 -14.686 7.218 -1.603 1.00 1.40 O ATOM 2430 CB ASP A 153 -16.439 5.041 -2.029 1.00 1.46 C ATOM 2431 CG ASP A 153 -16.987 3.681 -2.409 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -17.431 2.946 -1.503 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -16.972 3.350 -3.615 1.00 2.52 O ATOM 0 H ASP A 153 -16.681 4.264 0.332 1.00 1.04 H new ATOM 0 HA ASP A 153 -14.480 4.347 -1.528 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -17.232 5.636 -1.576 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -16.121 5.566 -2.930 1.00 1.46 H new ATOM 2438 N LYS A 154 -14.301 6.499 0.504 1.00 0.68 N ATOM 2439 CA LYS A 154 -13.754 7.744 1.015 1.00 0.59 C ATOM 2440 C LYS A 154 -12.478 8.150 0.280 1.00 0.52 C ATOM 2441 O LYS A 154 -12.313 7.883 -0.910 1.00 0.67 O ATOM 2442 CB LYS A 154 -13.442 7.552 2.499 1.00 0.63 C ATOM 2443 CG LYS A 154 -14.661 7.240 3.352 1.00 0.79 C ATOM 2444 CD LYS A 154 -14.288 7.074 4.820 1.00 0.93 C ATOM 2445 CE LYS A 154 -13.309 5.925 5.032 1.00 0.94 C ATOM 2446 NZ LYS A 154 -12.937 5.771 6.465 1.00 1.77 N ATOM 0 H LYS A 154 -14.337 5.756 1.202 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.487 8.536 0.863 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -12.720 6.743 2.606 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -12.967 8.456 2.880 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -15.393 8.042 3.250 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -15.135 6.328 2.991 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -13.847 8.000 5.189 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -15.190 6.895 5.406 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -13.754 4.998 4.671 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.410 6.100 4.440 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -11.932 6.007 6.590 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -13.518 6.410 7.045 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -13.101 4.788 6.763 1.00 1.77 H new ATOM 2460 N LEU A 155 -11.570 8.779 1.023 1.00 0.55 N ATOM 2461 CA LEU A 155 -10.286 9.216 0.495 1.00 0.57 C ATOM 2462 C LEU A 155 -10.449 10.006 -0.798 1.00 0.51 C ATOM 2463 O LEU A 155 -10.249 9.473 -1.889 1.00 0.61 O ATOM 2464 CB LEU A 155 -9.362 8.012 0.258 1.00 0.67 C ATOM 2465 CG LEU A 155 -9.328 6.961 1.383 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -9.241 7.620 2.750 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -10.544 6.050 1.307 1.00 1.95 C ATOM 0 H LEU A 155 -11.707 8.999 2.010 1.00 0.55 H new ATOM 0 HA LEU A 155 -9.836 9.873 1.239 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -9.668 7.519 -0.665 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -8.349 8.381 0.101 1.00 0.67 H new ATOM 0 HG LEU A 155 -8.433 6.355 1.244 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -9.219 6.852 3.523 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -8.333 8.220 2.808 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -10.109 8.261 2.901 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -10.499 5.315 2.111 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -11.451 6.645 1.409 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -10.554 5.536 0.346 1.00 1.95 H new ATOM 2479 N ASN A 156 -10.792 11.285 -0.669 1.00 0.54 N ATOM 2480 CA ASN A 156 -10.954 12.147 -1.831 1.00 0.54 C ATOM 2481 C ASN A 156 -9.621 12.290 -2.550 1.00 0.53 C ATOM 2482 O ASN A 156 -8.601 11.802 -2.069 1.00 0.75 O ATOM 2483 CB ASN A 156 -11.476 13.523 -1.411 1.00 0.63 C ATOM 2484 CG ASN A 156 -10.534 14.230 -0.457 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -10.250 13.736 0.635 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -10.045 15.394 -0.866 1.00 1.34 N ATOM 0 H ASN A 156 -10.962 11.744 0.226 1.00 0.54 H new ATOM 0 HA ASN A 156 -11.681 11.696 -2.506 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -11.622 14.140 -2.298 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -12.451 13.410 -0.938 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -9.406 15.917 -0.267 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -10.308 15.765 -1.779 1.00 1.34 H new ATOM 2493 N LYS A 157 -9.628 12.951 -3.698 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.404 13.143 -4.471 1.00 0.46 C ATOM 2495 C LYS A 157 -7.689 14.430 -4.069 1.00 0.48 C ATOM 2496 O LYS A 157 -8.326 15.446 -3.794 1.00 0.64 O ATOM 2497 CB LYS A 157 -8.710 13.158 -5.970 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.182 11.815 -6.506 1.00 0.60 C ATOM 2499 CD LYS A 157 -9.471 11.874 -8.000 1.00 1.33 C ATOM 2500 CE LYS A 157 -10.599 12.842 -8.316 1.00 1.77 C ATOM 2501 NZ LYS A 157 -10.886 12.904 -9.776 1.00 2.30 N ATOM 0 H LYS A 157 -10.462 13.363 -4.116 1.00 0.46 H new ATOM 0 HA LYS A 157 -7.742 12.305 -4.254 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -9.475 13.909 -6.169 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -7.815 13.463 -6.513 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -8.422 11.058 -6.312 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -10.082 11.507 -5.973 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -8.570 12.178 -8.533 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -9.734 10.879 -8.360 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -11.499 12.537 -7.782 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -10.336 13.836 -7.955 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -11.661 13.575 -9.949 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -10.035 13.219 -10.284 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -11.162 11.961 -10.116 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.355 14.366 -4.042 1.00 0.45 N ATOM 2516 CA TRP A 158 -5.516 15.510 -3.682 1.00 0.54 C ATOM 2517 C TRP A 158 -6.066 16.809 -4.261 1.00 0.75 C ATOM 2518 O TRP A 158 -5.902 17.028 -5.481 1.00 1.21 O ATOM 2519 CB TRP A 158 -4.089 15.279 -4.187 1.00 0.62 C ATOM 2520 CG TRP A 158 -3.124 16.355 -3.792 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -2.451 17.200 -4.626 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -2.708 16.690 -2.463 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -1.652 18.048 -3.898 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -1.792 17.753 -2.566 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -3.026 16.196 -1.194 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -1.189 18.328 -1.450 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -2.428 16.767 -0.087 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -1.518 17.825 -0.222 1.00 1.07 C ATOM 2529 OXT TRP A 158 -6.656 17.597 -3.493 1.00 1.47 O ATOM 0 H TRP A 158 -5.829 13.522 -4.268 1.00 0.45 H new ATOM 0 HA TRP A 158 -5.514 15.602 -2.596 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -3.729 14.324 -3.805 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -4.107 15.202 -5.274 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -2.534 17.202 -5.703 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -1.053 18.777 -4.285 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -3.727 15.382 -1.081 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -0.487 19.142 -1.551 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -2.665 16.392 0.898 1.00 1.03 H new ATOM 0 HH2 TRP A 158 -1.068 18.251 0.662 1.00 1.07 H new TER 2540 TRP A 158