USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=40 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 142 MET CE :methyl -139:sc= -0.274 (180deg=-1.39) USER MOD Set 1.2: A 145 GLN :FLIP amide:sc= -1.91! C(o=-3.6!,f=-2.2!) USER MOD Set 2.1: A 107 ASN :FLIP amide:sc= -12.6! C(o=-21!,f=-13!) USER MOD Set 2.2: A 112 THR OG1 : rot 130:sc= -0.148 USER MOD Set 3.1: A 31 SER OG : rot 171:sc= -1.25! USER MOD Set 3.2: A 62 THR OG1 : rot 59:sc= -0.923! USER MOD Set 4.1: A 42 THR OG1 : rot 142:sc= -0.119 USER MOD Set 4.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.3: A 55 ASN : amide:sc= -0.862 K(o=-0.98,f=-2.8!) USER MOD Set 5.1: A 10 ASN :FLIP amide:sc= -1.06 F(o=-14!,f=-6.2) USER MOD Set 5.2: A 48 GLN :FLIP amide:sc= -0.712 F(o=-11!,f=-6.2) USER MOD Set 5.3: A 50 GLN : amide:sc= -4.42! C(o=-6.2!,f=-7.5!) USER MOD Single : A 1 THR N :NH3+ 157:sc= 0.0052 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00412 USER MOD Single : A 4 TYR OH : rot 30:sc= -0.0695 USER MOD Single : A 9 SER OG : rot 73:sc= -1.52! USER MOD Single : A 13 SER OG : rot -99:sc= 0.871 USER MOD Single : A 17 GLN :FLIP amide:sc= -4.25! C(o=-5.7!,f=-4.3!) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.24 F(o=-7.1!,f=-2.2) USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= -0.037 (180deg=-0.337) USER MOD Single : A 32 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.003) USER MOD Single : A 35 THR OG1 : rot -87:sc= -3.81! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -78:sc= -2.48 USER MOD Single : A 40 TYR OH : rot -64:sc= -7! USER MOD Single : A 63 SER OG : rot 104:sc= 0.422 USER MOD Single : A 71 ASN :FLIP amide:sc= -3.28! C(o=-7.2!,f=-3.3!) USER MOD Single : A 72 HIS : no HD1:sc= -0.519 K(o=-0.52,f=-1.3) USER MOD Single : A 73 THR OG1 : rot 90:sc= -3.85! USER MOD Single : A 74 GLN : amide:sc= -1.33! C(o=-1.3!,f=-3!) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.6!) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= -0.0481 (180deg=-0.262) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 138:sc= -2.78! (180deg=-3.52!) USER MOD Single : A 103 ASN :FLIP amide:sc= -1.58! C(o=-4.3!,f=-1.6!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 115 HIS : no HE2:sc= -11.4! C(o=-11!,f=-18!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 139:sc= -1.61 (180deg=-4.43!) USER MOD Single : A 119 LYS NZ :NH3+ -164:sc= -0.0643 (180deg=-0.359) USER MOD Single : A 120 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 124 MET CE :methyl -114:sc= -2.37 (180deg=-4.96!) USER MOD Single : A 148 HIS :FLIP no HE2:sc= -0.0587 F(o=-0.63,f=-0.059) USER MOD Single : A 149 THR OG1 : rot -83:sc= 0.721 USER MOD Single : A 154 LYS NZ :NH3+ 164:sc= -0.0713 (180deg=-0.294) USER MOD Single : A 156 ASN : amide:sc= -0.0356 X(o=-0.036,f=-0.42) USER MOD Single : A 157 LYS NZ :NH3+ -141:sc= 0.0997 (180deg=-0.457) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.769 -9.313 -14.935 1.00 0.82 N ATOM 2 CA THR A 1 2.867 -9.743 -13.834 1.00 0.59 C ATOM 3 C THR A 1 2.354 -8.547 -13.039 1.00 0.52 C ATOM 4 O THR A 1 3.122 -7.866 -12.355 1.00 0.52 O ATOM 5 CB THR A 1 3.638 -10.697 -12.918 1.00 0.64 C ATOM 6 OG1 THR A 1 4.072 -11.838 -13.635 1.00 0.92 O ATOM 7 CG2 THR A 1 2.826 -11.179 -11.736 1.00 0.62 C ATOM 0 H1 THR A 1 4.393 -10.102 -15.201 1.00 0.82 H new ATOM 0 H2 THR A 1 3.201 -9.028 -15.758 1.00 0.82 H new ATOM 0 H3 THR A 1 4.345 -8.508 -14.617 1.00 0.82 H new ATOM 0 HA THR A 1 1.999 -10.248 -14.259 1.00 0.59 H new ATOM 0 HB THR A 1 4.484 -10.119 -12.545 1.00 0.64 H new ATOM 0 HG1 THR A 1 4.564 -12.435 -13.033 1.00 0.92 H new ATOM 0 HG21 THR A 1 3.432 -11.851 -11.128 1.00 0.62 H new ATOM 0 HG22 THR A 1 2.517 -10.324 -11.134 1.00 0.62 H new ATOM 0 HG23 THR A 1 1.943 -11.709 -12.093 1.00 0.62 H new ATOM 17 N VAL A 2 1.051 -8.298 -13.133 1.00 0.54 N ATOM 18 CA VAL A 2 0.430 -7.185 -12.426 1.00 0.54 C ATOM 19 C VAL A 2 0.414 -7.436 -10.922 1.00 0.44 C ATOM 20 O VAL A 2 -0.365 -8.249 -10.425 1.00 0.45 O ATOM 21 CB VAL A 2 -1.008 -6.940 -12.916 1.00 0.65 C ATOM 22 CG1 VAL A 2 -1.631 -5.756 -12.190 1.00 1.49 C ATOM 23 CG2 VAL A 2 -1.027 -6.721 -14.421 1.00 1.42 C ATOM 0 H VAL A 2 0.405 -8.854 -13.693 1.00 0.54 H new ATOM 0 HA VAL A 2 1.028 -6.298 -12.637 1.00 0.54 H new ATOM 0 HB VAL A 2 -1.603 -7.825 -12.691 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -2.647 -5.601 -12.552 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -1.654 -5.957 -11.119 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -1.038 -4.861 -12.378 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -2.052 -6.549 -14.751 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -0.415 -5.854 -14.670 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -0.628 -7.603 -14.922 1.00 1.42 H new ATOM 33 N ALA A 3 1.282 -6.732 -10.207 1.00 0.43 N ATOM 34 CA ALA A 3 1.378 -6.871 -8.758 1.00 0.40 C ATOM 35 C ALA A 3 0.574 -5.784 -8.050 1.00 0.33 C ATOM 36 O ALA A 3 0.745 -4.596 -8.324 1.00 0.37 O ATOM 37 CB ALA A 3 2.832 -6.827 -8.330 1.00 0.48 C ATOM 0 H ALA A 3 1.932 -6.056 -10.608 1.00 0.43 H new ATOM 0 HA ALA A 3 0.956 -7.835 -8.473 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.896 -6.931 -7.247 1.00 0.48 H new ATOM 0 HB2 ALA A 3 3.376 -7.643 -8.806 1.00 0.48 H new ATOM 0 HB3 ALA A 3 3.271 -5.875 -8.629 1.00 0.48 H new ATOM 43 N TYR A 4 -0.313 -6.205 -7.150 1.00 0.38 N ATOM 44 CA TYR A 4 -1.164 -5.273 -6.415 1.00 0.48 C ATOM 45 C TYR A 4 -0.525 -4.842 -5.103 1.00 0.46 C ATOM 46 O TYR A 4 -0.546 -5.565 -4.104 1.00 0.72 O ATOM 47 CB TYR A 4 -2.540 -5.897 -6.185 1.00 0.79 C ATOM 48 CG TYR A 4 -3.183 -6.393 -7.464 1.00 2.03 C ATOM 49 CD1 TYR A 4 -2.725 -7.540 -8.096 1.00 3.01 C ATOM 50 CD2 TYR A 4 -4.254 -5.714 -8.037 1.00 2.70 C ATOM 51 CE1 TYR A 4 -3.312 -7.999 -9.259 1.00 4.21 C ATOM 52 CE2 TYR A 4 -4.847 -6.167 -9.201 1.00 3.83 C ATOM 53 CZ TYR A 4 -4.358 -7.297 -9.820 1.00 4.50 C ATOM 54 OH TYR A 4 -4.960 -7.764 -10.965 1.00 5.73 O ATOM 0 H TYR A 4 -0.461 -7.186 -6.913 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.285 -4.372 -7.016 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -2.444 -6.728 -5.486 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -3.194 -5.161 -5.717 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -1.894 -8.084 -7.671 1.00 3.01 H new ATOM 0 HD2 TYR A 4 -4.628 -4.818 -7.564 1.00 2.70 H new ATOM 0 HE1 TYR A 4 -2.953 -8.904 -9.727 1.00 4.21 H new ATOM 0 HE2 TYR A 4 -5.689 -5.638 -9.623 1.00 3.83 H new ATOM 0 HH TYR A 4 -4.903 -8.742 -10.989 1.00 5.73 H new ATOM 64 N ILE A 5 0.061 -3.651 -5.150 1.00 0.40 N ATOM 65 CA ILE A 5 0.757 -3.044 -4.024 1.00 0.45 C ATOM 66 C ILE A 5 -0.077 -1.954 -3.364 1.00 0.44 C ATOM 67 O ILE A 5 -0.886 -1.290 -4.010 1.00 0.57 O ATOM 68 CB ILE A 5 2.070 -2.403 -4.512 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.364 -2.899 -5.929 1.00 0.52 C ATOM 70 CG2 ILE A 5 3.219 -2.711 -3.561 1.00 0.93 C ATOM 71 CD1 ILE A 5 3.579 -2.266 -6.568 1.00 0.79 C ATOM 0 H ILE A 5 0.065 -3.070 -5.988 1.00 0.40 H new ATOM 0 HA ILE A 5 0.948 -3.834 -3.298 1.00 0.45 H new ATOM 0 HB ILE A 5 1.962 -1.319 -4.529 1.00 0.55 H new ATOM 0 HG12 ILE A 5 2.503 -3.980 -5.902 1.00 0.52 H new ATOM 0 HG13 ILE A 5 1.495 -2.705 -6.557 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.132 -2.246 -3.931 1.00 0.93 H new ATOM 0 HG22 ILE A 5 2.987 -2.318 -2.571 1.00 0.93 H new ATOM 0 HG23 ILE A 5 3.361 -3.790 -3.499 1.00 0.93 H new ATOM 0 HD11 ILE A 5 3.716 -2.672 -7.570 1.00 0.79 H new ATOM 0 HD12 ILE A 5 3.437 -1.187 -6.630 1.00 0.79 H new ATOM 0 HD13 ILE A 5 4.461 -2.481 -5.965 1.00 0.79 H new ATOM 83 N ALA A 6 0.156 -1.769 -2.077 1.00 0.48 N ATOM 84 CA ALA A 6 -0.532 -0.746 -1.300 1.00 0.51 C ATOM 85 C ALA A 6 0.449 0.335 -0.864 1.00 0.46 C ATOM 86 O ALA A 6 1.610 0.044 -0.574 1.00 0.58 O ATOM 87 CB ALA A 6 -1.203 -1.365 -0.088 1.00 0.71 C ATOM 0 H ALA A 6 0.825 -2.320 -1.540 1.00 0.48 H new ATOM 0 HA ALA A 6 -1.298 -0.291 -1.927 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -1.713 -0.588 0.482 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -1.928 -2.110 -0.415 1.00 0.71 H new ATOM 0 HB3 ALA A 6 -0.451 -1.842 0.540 1.00 0.71 H new ATOM 93 N ILE A 7 -0.010 1.582 -0.825 1.00 0.44 N ATOM 94 CA ILE A 7 0.851 2.690 -0.425 1.00 0.43 C ATOM 95 C ILE A 7 0.125 3.652 0.511 1.00 0.49 C ATOM 96 O ILE A 7 -1.038 3.990 0.289 1.00 0.58 O ATOM 97 CB ILE A 7 1.372 3.460 -1.656 1.00 0.47 C ATOM 98 CG1 ILE A 7 2.308 4.591 -1.227 1.00 1.19 C ATOM 99 CG2 ILE A 7 0.206 4.005 -2.471 1.00 1.41 C ATOM 100 CD1 ILE A 7 2.984 5.292 -2.388 1.00 1.42 C ATOM 0 H ILE A 7 -0.965 1.850 -1.063 1.00 0.44 H new ATOM 0 HA ILE A 7 1.698 2.259 0.109 1.00 0.43 H new ATOM 0 HB ILE A 7 1.938 2.771 -2.282 1.00 0.47 H new ATOM 0 HG12 ILE A 7 1.740 5.323 -0.652 1.00 1.19 H new ATOM 0 HG13 ILE A 7 3.072 4.187 -0.563 1.00 1.19 H new ATOM 0 HG21 ILE A 7 0.588 4.546 -3.337 1.00 1.41 H new ATOM 0 HG22 ILE A 7 -0.420 3.179 -2.807 1.00 1.41 H new ATOM 0 HG23 ILE A 7 -0.385 4.681 -1.853 1.00 1.41 H new ATOM 0 HD11 ILE A 7 3.632 6.082 -2.009 1.00 1.42 H new ATOM 0 HD12 ILE A 7 3.579 4.573 -2.950 1.00 1.42 H new ATOM 0 HD13 ILE A 7 2.227 5.726 -3.041 1.00 1.42 H new ATOM 112 N GLY A 8 0.818 4.086 1.561 1.00 0.57 N ATOM 113 CA GLY A 8 0.221 5.003 2.517 1.00 0.69 C ATOM 114 C GLY A 8 1.250 5.852 3.239 1.00 0.68 C ATOM 115 O GLY A 8 2.354 5.388 3.528 1.00 0.77 O ATOM 0 H GLY A 8 1.781 3.819 1.767 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.482 5.655 1.998 1.00 0.69 H new ATOM 0 HA3 GLY A 8 -0.353 4.435 3.249 1.00 0.69 H new ATOM 119 N SER A 9 0.884 7.098 3.533 1.00 0.70 N ATOM 120 CA SER A 9 1.780 8.021 4.228 1.00 0.75 C ATOM 121 C SER A 9 1.050 8.754 5.350 1.00 0.87 C ATOM 122 O SER A 9 -0.179 8.826 5.361 1.00 0.92 O ATOM 123 CB SER A 9 2.363 9.041 3.248 1.00 0.76 C ATOM 124 OG SER A 9 3.062 10.064 3.933 1.00 1.67 O ATOM 0 H SER A 9 -0.028 7.492 3.301 1.00 0.70 H new ATOM 0 HA SER A 9 2.589 7.433 4.662 1.00 0.75 H new ATOM 0 HB2 SER A 9 3.036 8.539 2.553 1.00 0.76 H new ATOM 0 HB3 SER A 9 1.561 9.479 2.654 1.00 0.76 H new ATOM 0 HG SER A 9 3.904 9.706 4.284 1.00 1.67 H new ATOM 130 N ASN A 10 1.820 9.306 6.283 1.00 1.03 N ATOM 131 CA ASN A 10 1.254 10.045 7.406 1.00 1.23 C ATOM 132 C ASN A 10 1.745 11.492 7.389 1.00 1.30 C ATOM 133 O ASN A 10 1.747 12.134 6.340 1.00 2.00 O ATOM 134 CB ASN A 10 1.622 9.366 8.727 1.00 1.55 C ATOM 135 CG ASN A 10 1.137 7.932 8.792 1.00 2.18 C ATOM 136 OD1 ASN A 10 0.251 7.650 9.742 1.00 2.66 O flip ATOM 137 ND2 ASN A 10 1.548 7.089 7.996 1.00 3.02 N flip ATOM 0 H ASN A 10 2.839 9.255 6.283 1.00 1.03 H new ATOM 0 HA ASN A 10 0.168 10.049 7.312 1.00 1.23 H new ATOM 0 HB2 ASN A 10 2.704 9.387 8.854 1.00 1.55 H new ATOM 0 HB3 ASN A 10 1.192 9.930 9.555 1.00 1.55 H new ATOM 0 HD21 ASN A 10 2.229 7.350 7.283 1.00 3.02 H new ATOM 0 HD22 ASN A 10 1.208 6.129 8.049 1.00 3.02 H new ATOM 144 N LEU A 11 2.160 12.005 8.548 1.00 1.21 N ATOM 145 CA LEU A 11 2.651 13.377 8.643 1.00 1.31 C ATOM 146 C LEU A 11 1.566 14.383 8.267 1.00 1.49 C ATOM 147 O LEU A 11 0.502 14.010 7.773 1.00 1.96 O ATOM 148 CB LEU A 11 3.874 13.572 7.738 1.00 1.36 C ATOM 149 CG LEU A 11 5.138 12.820 8.163 1.00 1.66 C ATOM 150 CD1 LEU A 11 6.286 13.147 7.221 1.00 2.11 C ATOM 151 CD2 LEU A 11 5.512 13.164 9.597 1.00 2.45 C ATOM 0 H LEU A 11 2.165 11.492 9.430 1.00 1.21 H new ATOM 0 HA LEU A 11 2.938 13.553 9.680 1.00 1.31 H new ATOM 0 HB2 LEU A 11 3.609 13.260 6.728 1.00 1.36 H new ATOM 0 HB3 LEU A 11 4.104 14.636 7.693 1.00 1.36 H new ATOM 0 HG LEU A 11 4.937 11.750 8.111 1.00 1.66 H new ATOM 0 HD11 LEU A 11 7.179 12.606 7.534 1.00 2.11 H new ATOM 0 HD12 LEU A 11 6.020 12.851 6.206 1.00 2.11 H new ATOM 0 HD13 LEU A 11 6.484 14.219 7.246 1.00 2.11 H new ATOM 0 HD21 LEU A 11 6.413 12.619 9.879 1.00 2.45 H new ATOM 0 HD22 LEU A 11 5.696 14.235 9.678 1.00 2.45 H new ATOM 0 HD23 LEU A 11 4.696 12.885 10.263 1.00 2.45 H new ATOM 163 N ALA A 12 1.847 15.663 8.501 1.00 1.57 N ATOM 164 CA ALA A 12 0.901 16.725 8.181 1.00 1.79 C ATOM 165 C ALA A 12 0.779 16.896 6.673 1.00 1.71 C ATOM 166 O ALA A 12 -0.221 17.415 6.172 1.00 2.29 O ATOM 167 CB ALA A 12 1.336 18.032 8.829 1.00 2.08 C ATOM 0 H ALA A 12 2.723 15.988 8.911 1.00 1.57 H new ATOM 0 HA ALA A 12 -0.076 16.448 8.576 1.00 1.79 H new ATOM 0 HB1 ALA A 12 0.621 18.816 8.582 1.00 2.08 H new ATOM 0 HB2 ALA A 12 1.377 17.906 9.911 1.00 2.08 H new ATOM 0 HB3 ALA A 12 2.323 18.311 8.459 1.00 2.08 H new ATOM 173 N SER A 13 1.805 16.450 5.956 1.00 1.54 N ATOM 174 CA SER A 13 1.826 16.543 4.501 1.00 1.42 C ATOM 175 C SER A 13 2.319 15.233 3.888 1.00 1.10 C ATOM 176 O SER A 13 3.484 15.115 3.509 1.00 1.17 O ATOM 177 CB SER A 13 2.720 17.702 4.056 1.00 1.72 C ATOM 178 OG SER A 13 2.760 17.803 2.642 1.00 2.45 O ATOM 0 H SER A 13 2.636 16.019 6.361 1.00 1.54 H new ATOM 0 HA SER A 13 0.810 16.729 4.153 1.00 1.42 H new ATOM 0 HB2 SER A 13 2.349 18.635 4.480 1.00 1.72 H new ATOM 0 HB3 SER A 13 3.729 17.556 4.442 1.00 1.72 H new ATOM 0 HG SER A 13 3.578 17.381 2.307 1.00 2.45 H new ATOM 184 N PRO A 14 1.434 14.222 3.791 1.00 0.96 N ATOM 185 CA PRO A 14 1.784 12.913 3.229 1.00 0.92 C ATOM 186 C PRO A 14 1.922 12.936 1.711 1.00 0.86 C ATOM 187 O PRO A 14 1.766 11.909 1.053 1.00 0.90 O ATOM 188 CB PRO A 14 0.604 12.031 3.636 1.00 1.18 C ATOM 189 CG PRO A 14 -0.547 12.968 3.756 1.00 1.23 C ATOM 190 CD PRO A 14 0.024 14.277 4.230 1.00 1.14 C ATOM 0 HA PRO A 14 2.751 12.566 3.593 1.00 0.92 H new ATOM 0 HB2 PRO A 14 0.410 11.260 2.890 1.00 1.18 H new ATOM 0 HB3 PRO A 14 0.798 11.520 4.579 1.00 1.18 H new ATOM 0 HG2 PRO A 14 -1.052 13.088 2.798 1.00 1.23 H new ATOM 0 HG3 PRO A 14 -1.286 12.588 4.461 1.00 1.23 H new ATOM 0 HD2 PRO A 14 -0.500 15.125 3.790 1.00 1.14 H new ATOM 0 HD3 PRO A 14 -0.055 14.380 5.312 1.00 1.14 H new ATOM 198 N LEU A 15 2.208 14.111 1.159 1.00 0.89 N ATOM 199 CA LEU A 15 2.356 14.261 -0.285 1.00 0.90 C ATOM 200 C LEU A 15 3.769 13.905 -0.743 1.00 0.84 C ATOM 201 O LEU A 15 3.946 13.163 -1.706 1.00 0.84 O ATOM 202 CB LEU A 15 2.020 15.693 -0.704 1.00 1.07 C ATOM 203 CG LEU A 15 2.141 15.980 -2.203 1.00 1.33 C ATOM 204 CD1 LEU A 15 1.147 15.143 -2.993 1.00 1.67 C ATOM 205 CD2 LEU A 15 1.929 17.461 -2.478 1.00 1.72 C ATOM 0 H LEU A 15 2.342 14.972 1.689 1.00 0.89 H new ATOM 0 HA LEU A 15 1.661 13.570 -0.763 1.00 0.90 H new ATOM 0 HB2 LEU A 15 1.001 15.917 -0.389 1.00 1.07 H new ATOM 0 HB3 LEU A 15 2.677 16.376 -0.166 1.00 1.07 H new ATOM 0 HG LEU A 15 3.146 15.708 -2.524 1.00 1.33 H new ATOM 0 HD11 LEU A 15 1.250 15.363 -4.056 1.00 1.67 H new ATOM 0 HD12 LEU A 15 1.344 14.085 -2.820 1.00 1.67 H new ATOM 0 HD13 LEU A 15 0.133 15.381 -2.670 1.00 1.67 H new ATOM 0 HD21 LEU A 15 2.018 17.649 -3.548 1.00 1.72 H new ATOM 0 HD22 LEU A 15 0.936 17.755 -2.139 1.00 1.72 H new ATOM 0 HD23 LEU A 15 2.681 18.042 -1.944 1.00 1.72 H new ATOM 217 N GLU A 16 4.768 14.445 -0.056 1.00 0.86 N ATOM 218 CA GLU A 16 6.160 14.189 -0.408 1.00 0.88 C ATOM 219 C GLU A 16 6.571 12.761 -0.054 1.00 0.76 C ATOM 220 O GLU A 16 7.350 12.135 -0.774 1.00 0.75 O ATOM 221 CB GLU A 16 7.091 15.184 0.294 1.00 1.05 C ATOM 222 CG GLU A 16 6.872 16.634 -0.118 1.00 1.40 C ATOM 223 CD GLU A 16 5.663 17.270 0.546 1.00 1.82 C ATOM 224 OE1 GLU A 16 5.074 16.627 1.440 1.00 2.49 O ATOM 225 OE2 GLU A 16 5.292 18.397 0.158 1.00 2.16 O ATOM 0 H GLU A 16 4.641 15.062 0.746 1.00 0.86 H new ATOM 0 HA GLU A 16 6.250 14.317 -1.487 1.00 0.88 H new ATOM 0 HB2 GLU A 16 6.951 15.098 1.372 1.00 1.05 H new ATOM 0 HB3 GLU A 16 8.125 14.909 0.084 1.00 1.05 H new ATOM 0 HG2 GLU A 16 7.761 17.213 0.130 1.00 1.40 H new ATOM 0 HG3 GLU A 16 6.751 16.683 -1.200 1.00 1.40 H new ATOM 232 N GLN A 17 6.055 12.254 1.059 1.00 0.73 N ATOM 233 CA GLN A 17 6.382 10.906 1.506 1.00 0.71 C ATOM 234 C GLN A 17 5.772 9.853 0.577 1.00 0.57 C ATOM 235 O GLN A 17 6.462 8.936 0.113 1.00 0.51 O ATOM 236 CB GLN A 17 5.899 10.700 2.943 1.00 0.86 C ATOM 237 CG GLN A 17 6.287 11.828 3.887 1.00 1.20 C ATOM 238 CD GLN A 17 7.785 11.918 4.135 1.00 1.35 C ATOM 239 OE1 GLN A 17 8.532 10.922 3.671 1.00 2.20 O flip ATOM 240 NE2 GLN A 17 8.264 12.867 4.756 1.00 1.36 N flip ATOM 0 H GLN A 17 5.409 12.756 1.668 1.00 0.73 H new ATOM 0 HA GLN A 17 7.465 10.788 1.476 1.00 0.71 H new ATOM 0 HB2 GLN A 17 4.814 10.597 2.941 1.00 0.86 H new ATOM 0 HB3 GLN A 17 6.307 9.764 3.323 1.00 0.86 H new ATOM 0 HG2 GLN A 17 5.937 12.774 3.474 1.00 1.20 H new ATOM 0 HG3 GLN A 17 5.776 11.687 4.839 1.00 1.20 H new ATOM 0 HE21 GLN A 17 7.657 13.613 5.096 1.00 1.36 H new ATOM 0 HE22 GLN A 17 9.268 12.908 4.930 1.00 1.36 H new ATOM 249 N VAL A 18 4.476 9.985 0.299 1.00 0.57 N ATOM 250 CA VAL A 18 3.800 9.043 -0.585 1.00 0.53 C ATOM 251 C VAL A 18 4.507 8.994 -1.937 1.00 0.49 C ATOM 252 O VAL A 18 4.574 7.945 -2.577 1.00 0.51 O ATOM 253 CB VAL A 18 2.313 9.404 -0.788 1.00 0.62 C ATOM 254 CG1 VAL A 18 2.166 10.710 -1.552 1.00 1.10 C ATOM 255 CG2 VAL A 18 1.582 8.279 -1.503 1.00 1.25 C ATOM 0 H VAL A 18 3.881 10.726 0.669 1.00 0.57 H new ATOM 0 HA VAL A 18 3.842 8.063 -0.110 1.00 0.53 H new ATOM 0 HB VAL A 18 1.862 9.538 0.195 1.00 0.62 H new ATOM 0 HG11 VAL A 18 1.108 10.939 -1.680 1.00 1.10 H new ATOM 0 HG12 VAL A 18 2.647 11.514 -0.994 1.00 1.10 H new ATOM 0 HG13 VAL A 18 2.638 10.615 -2.530 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.535 8.552 -1.637 1.00 1.25 H new ATOM 0 HG22 VAL A 18 2.040 8.109 -2.477 1.00 1.25 H new ATOM 0 HG23 VAL A 18 1.646 7.368 -0.908 1.00 1.25 H new ATOM 265 N ASN A 19 5.052 10.136 -2.351 1.00 0.52 N ATOM 266 CA ASN A 19 5.776 10.232 -3.612 1.00 0.57 C ATOM 267 C ASN A 19 7.121 9.523 -3.510 1.00 0.50 C ATOM 268 O ASN A 19 7.682 9.097 -4.516 1.00 0.52 O ATOM 269 CB ASN A 19 5.985 11.698 -4.003 1.00 0.72 C ATOM 270 CG ASN A 19 4.684 12.423 -4.308 1.00 1.26 C ATOM 271 OD1 ASN A 19 3.561 11.714 -4.213 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 4.688 13.612 -4.626 1.00 1.71 N flip ATOM 0 H ASN A 19 5.004 11.010 -1.827 1.00 0.52 H new ATOM 0 HA ASN A 19 5.180 9.746 -4.384 1.00 0.57 H new ATOM 0 HB2 ASN A 19 6.501 12.214 -3.193 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.635 11.746 -4.877 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.570 14.120 -4.688 1.00 1.71 H new ATOM 0 HD22 ASN A 19 3.809 14.089 -4.828 1.00 1.71 H new ATOM 279 N ALA A 20 7.626 9.384 -2.282 1.00 0.49 N ATOM 280 CA ALA A 20 8.896 8.703 -2.059 1.00 0.49 C ATOM 281 C ALA A 20 8.813 7.290 -2.601 1.00 0.42 C ATOM 282 O ALA A 20 9.667 6.849 -3.369 1.00 0.48 O ATOM 283 CB ALA A 20 9.244 8.685 -0.581 1.00 0.57 C ATOM 0 H ALA A 20 7.176 9.732 -1.435 1.00 0.49 H new ATOM 0 HA ALA A 20 9.685 9.243 -2.583 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.195 8.172 -0.437 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.324 9.708 -0.214 1.00 0.57 H new ATOM 0 HB3 ALA A 20 8.463 8.162 -0.030 1.00 0.57 H new ATOM 289 N ALA A 21 7.752 6.593 -2.216 1.00 0.41 N ATOM 290 CA ALA A 21 7.531 5.233 -2.692 1.00 0.45 C ATOM 291 C ALA A 21 7.187 5.272 -4.171 1.00 0.36 C ATOM 292 O ALA A 21 7.595 4.409 -4.945 1.00 0.40 O ATOM 293 CB ALA A 21 6.408 4.564 -1.917 1.00 0.64 C ATOM 0 H ALA A 21 7.035 6.943 -1.580 1.00 0.41 H new ATOM 0 HA ALA A 21 8.441 4.653 -2.539 1.00 0.45 H new ATOM 0 HB1 ALA A 21 6.262 3.550 -2.290 1.00 0.64 H new ATOM 0 HB2 ALA A 21 6.668 4.527 -0.859 1.00 0.64 H new ATOM 0 HB3 ALA A 21 5.488 5.134 -2.045 1.00 0.64 H new ATOM 299 N LEU A 22 6.437 6.303 -4.552 1.00 0.40 N ATOM 300 CA LEU A 22 6.029 6.500 -5.936 1.00 0.47 C ATOM 301 C LEU A 22 7.245 6.800 -6.804 1.00 0.44 C ATOM 302 O LEU A 22 7.200 6.680 -8.029 1.00 0.53 O ATOM 303 CB LEU A 22 5.017 7.648 -6.021 1.00 0.64 C ATOM 304 CG LEU A 22 3.652 7.358 -5.393 1.00 1.16 C ATOM 305 CD1 LEU A 22 2.754 8.583 -5.481 1.00 1.74 C ATOM 306 CD2 LEU A 22 2.991 6.165 -6.070 1.00 1.73 C ATOM 0 H LEU A 22 6.098 7.021 -3.912 1.00 0.40 H new ATOM 0 HA LEU A 22 5.559 5.587 -6.302 1.00 0.47 H new ATOM 0 HB2 LEU A 22 5.444 8.525 -5.535 1.00 0.64 H new ATOM 0 HB3 LEU A 22 4.870 7.905 -7.070 1.00 0.64 H new ATOM 0 HG LEU A 22 3.804 7.115 -4.341 1.00 1.16 H new ATOM 0 HD11 LEU A 22 1.787 8.359 -5.030 1.00 1.74 H new ATOM 0 HD12 LEU A 22 3.219 9.414 -4.950 1.00 1.74 H new ATOM 0 HD13 LEU A 22 2.612 8.855 -6.527 1.00 1.74 H new ATOM 0 HD21 LEU A 22 2.022 5.976 -5.609 1.00 1.73 H new ATOM 0 HD22 LEU A 22 2.853 6.379 -7.130 1.00 1.73 H new ATOM 0 HD23 LEU A 22 3.625 5.285 -5.957 1.00 1.73 H new ATOM 318 N LYS A 23 8.334 7.185 -6.148 1.00 0.43 N ATOM 319 CA LYS A 23 9.582 7.499 -6.829 1.00 0.52 C ATOM 320 C LYS A 23 10.280 6.219 -7.270 1.00 0.47 C ATOM 321 O LYS A 23 10.646 6.068 -8.435 1.00 0.56 O ATOM 322 CB LYS A 23 10.489 8.302 -5.892 1.00 0.61 C ATOM 323 CG LYS A 23 11.880 8.555 -6.442 1.00 1.13 C ATOM 324 CD LYS A 23 12.751 9.267 -5.421 1.00 1.51 C ATOM 325 CE LYS A 23 14.175 9.437 -5.920 1.00 2.12 C ATOM 326 NZ LYS A 23 14.835 8.126 -6.174 1.00 2.74 N ATOM 0 H LYS A 23 8.376 7.288 -5.134 1.00 0.43 H new ATOM 0 HA LYS A 23 9.365 8.095 -7.715 1.00 0.52 H new ATOM 0 HB2 LYS A 23 10.015 9.260 -5.678 1.00 0.61 H new ATOM 0 HB3 LYS A 23 10.576 7.770 -4.944 1.00 0.61 H new ATOM 0 HG2 LYS A 23 12.342 7.608 -6.721 1.00 1.13 H new ATOM 0 HG3 LYS A 23 11.812 9.156 -7.349 1.00 1.13 H new ATOM 0 HD2 LYS A 23 12.324 10.245 -5.197 1.00 1.51 H new ATOM 0 HD3 LYS A 23 12.757 8.701 -4.489 1.00 1.51 H new ATOM 0 HE2 LYS A 23 14.170 10.025 -6.838 1.00 2.12 H new ATOM 0 HE3 LYS A 23 14.753 9.998 -5.185 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 15.865 8.232 -6.080 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 14.494 7.426 -5.484 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 14.607 7.803 -7.136 1.00 2.74 H new ATOM 340 N ALA A 24 10.450 5.297 -6.329 1.00 0.40 N ATOM 341 CA ALA A 24 11.089 4.021 -6.612 1.00 0.43 C ATOM 342 C ALA A 24 10.146 3.113 -7.387 1.00 0.38 C ATOM 343 O ALA A 24 10.524 2.541 -8.409 1.00 0.46 O ATOM 344 CB ALA A 24 11.530 3.363 -5.312 1.00 0.51 C ATOM 0 H ALA A 24 10.152 5.412 -5.360 1.00 0.40 H new ATOM 0 HA ALA A 24 11.970 4.195 -7.229 1.00 0.43 H new ATOM 0 HB1 ALA A 24 12.008 2.408 -5.531 1.00 0.51 H new ATOM 0 HB2 ALA A 24 12.238 4.013 -4.797 1.00 0.51 H new ATOM 0 HB3 ALA A 24 10.661 3.196 -4.676 1.00 0.51 H new ATOM 350 N LEU A 25 8.912 2.996 -6.903 1.00 0.43 N ATOM 351 CA LEU A 25 7.911 2.169 -7.563 1.00 0.40 C ATOM 352 C LEU A 25 7.733 2.634 -9.001 1.00 0.37 C ATOM 353 O LEU A 25 7.526 1.826 -9.906 1.00 0.45 O ATOM 354 CB LEU A 25 6.571 2.238 -6.819 1.00 0.47 C ATOM 355 CG LEU A 25 5.556 1.164 -7.205 1.00 0.56 C ATOM 356 CD1 LEU A 25 6.124 -0.220 -6.942 1.00 0.96 C ATOM 357 CD2 LEU A 25 4.262 1.361 -6.434 1.00 1.04 C ATOM 0 H LEU A 25 8.584 3.463 -6.058 1.00 0.43 H new ATOM 0 HA LEU A 25 8.253 1.134 -7.555 1.00 0.40 H new ATOM 0 HB2 LEU A 25 6.764 2.165 -5.749 1.00 0.47 H new ATOM 0 HB3 LEU A 25 6.125 3.217 -6.996 1.00 0.47 H new ATOM 0 HG LEU A 25 5.343 1.253 -8.270 1.00 0.56 H new ATOM 0 HD11 LEU A 25 5.389 -0.974 -7.222 1.00 0.96 H new ATOM 0 HD12 LEU A 25 7.030 -0.360 -7.532 1.00 0.96 H new ATOM 0 HD13 LEU A 25 6.362 -0.321 -5.883 1.00 0.96 H new ATOM 0 HD21 LEU A 25 3.548 0.589 -6.719 1.00 1.04 H new ATOM 0 HD22 LEU A 25 4.462 1.294 -5.365 1.00 1.04 H new ATOM 0 HD23 LEU A 25 3.847 2.342 -6.665 1.00 1.04 H new ATOM 369 N GLY A 26 7.835 3.947 -9.203 1.00 0.43 N ATOM 370 CA GLY A 26 7.703 4.506 -10.536 1.00 0.53 C ATOM 371 C GLY A 26 8.642 3.838 -11.513 1.00 0.56 C ATOM 372 O GLY A 26 8.224 3.380 -12.576 1.00 0.82 O ATOM 0 H GLY A 26 8.007 4.632 -8.467 1.00 0.43 H new ATOM 0 HA2 GLY A 26 6.675 4.390 -10.880 1.00 0.53 H new ATOM 0 HA3 GLY A 26 7.910 5.576 -10.505 1.00 0.53 H new ATOM 376 N ASP A 27 9.917 3.764 -11.141 1.00 0.59 N ATOM 377 CA ASP A 27 10.917 3.126 -11.981 1.00 0.76 C ATOM 378 C ASP A 27 11.736 2.128 -11.170 1.00 0.56 C ATOM 379 O ASP A 27 12.642 2.506 -10.426 1.00 0.81 O ATOM 380 CB ASP A 27 11.836 4.178 -12.600 1.00 1.35 C ATOM 381 CG ASP A 27 12.853 3.575 -13.549 1.00 2.02 C ATOM 382 OD1 ASP A 27 12.436 2.946 -14.545 1.00 2.42 O ATOM 383 OD2 ASP A 27 14.067 3.733 -13.298 1.00 2.61 O ATOM 0 H ASP A 27 10.278 4.139 -10.264 1.00 0.59 H new ATOM 0 HA ASP A 27 10.406 2.590 -12.780 1.00 0.76 H new ATOM 0 HB2 ASP A 27 11.234 4.911 -13.136 1.00 1.35 H new ATOM 0 HB3 ASP A 27 12.357 4.713 -11.806 1.00 1.35 H new ATOM 388 N ILE A 28 11.409 0.852 -11.328 1.00 0.51 N ATOM 389 CA ILE A 28 12.103 -0.219 -10.626 1.00 0.51 C ATOM 390 C ILE A 28 12.894 -1.068 -11.622 1.00 0.49 C ATOM 391 O ILE A 28 12.459 -1.244 -12.761 1.00 0.48 O ATOM 392 CB ILE A 28 11.105 -1.122 -9.867 1.00 0.71 C ATOM 393 CG1 ILE A 28 9.950 -0.283 -9.311 1.00 0.82 C ATOM 394 CG2 ILE A 28 11.795 -1.869 -8.737 1.00 0.83 C ATOM 395 CD1 ILE A 28 8.972 -1.069 -8.466 1.00 1.26 C ATOM 0 H ILE A 28 10.660 0.532 -11.942 1.00 0.51 H new ATOM 0 HA ILE A 28 12.783 0.235 -9.905 1.00 0.51 H new ATOM 0 HB ILE A 28 10.709 -1.855 -10.570 1.00 0.71 H new ATOM 0 HG12 ILE A 28 10.360 0.530 -8.712 1.00 0.82 H new ATOM 0 HG13 ILE A 28 9.412 0.173 -10.142 1.00 0.82 H new ATOM 0 HG21 ILE A 28 11.070 -2.497 -8.220 1.00 0.83 H new ATOM 0 HG22 ILE A 28 12.589 -2.494 -9.145 1.00 0.83 H new ATOM 0 HG23 ILE A 28 12.221 -1.153 -8.034 1.00 0.83 H new ATOM 0 HD11 ILE A 28 8.184 -0.406 -8.109 1.00 1.26 H new ATOM 0 HD12 ILE A 28 8.532 -1.866 -9.065 1.00 1.26 H new ATOM 0 HD13 ILE A 28 9.494 -1.503 -7.613 1.00 1.26 H new ATOM 407 N PRO A 29 14.064 -1.600 -11.216 1.00 0.68 N ATOM 408 CA PRO A 29 14.912 -2.426 -12.071 1.00 0.83 C ATOM 409 C PRO A 29 14.158 -3.236 -13.128 1.00 0.70 C ATOM 410 O PRO A 29 14.561 -3.265 -14.291 1.00 0.88 O ATOM 411 CB PRO A 29 15.555 -3.347 -11.049 1.00 1.07 C ATOM 412 CG PRO A 29 15.780 -2.472 -9.864 1.00 1.14 C ATOM 413 CD PRO A 29 14.678 -1.438 -9.880 1.00 0.87 C ATOM 0 HA PRO A 29 15.597 -1.825 -12.669 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.906 -4.188 -10.806 1.00 1.07 H new ATOM 0 HB3 PRO A 29 16.491 -3.764 -11.421 1.00 1.07 H new ATOM 0 HG2 PRO A 29 15.754 -3.053 -8.942 1.00 1.14 H new ATOM 0 HG3 PRO A 29 16.759 -1.996 -9.913 1.00 1.14 H new ATOM 0 HD2 PRO A 29 13.955 -1.611 -9.083 1.00 0.87 H new ATOM 0 HD3 PRO A 29 15.072 -0.431 -9.740 1.00 0.87 H new ATOM 421 N GLU A 30 13.080 -3.913 -12.729 1.00 0.54 N ATOM 422 CA GLU A 30 12.316 -4.730 -13.671 1.00 0.58 C ATOM 423 C GLU A 30 10.806 -4.544 -13.511 1.00 0.60 C ATOM 424 O GLU A 30 10.021 -5.335 -14.034 1.00 1.01 O ATOM 425 CB GLU A 30 12.668 -6.207 -13.486 1.00 0.62 C ATOM 426 CG GLU A 30 14.159 -6.490 -13.539 1.00 0.63 C ATOM 427 CD GLU A 30 14.481 -7.964 -13.393 1.00 1.39 C ATOM 428 OE1 GLU A 30 13.535 -8.768 -13.260 1.00 2.35 O ATOM 429 OE2 GLU A 30 15.680 -8.317 -13.410 1.00 1.66 O ATOM 0 H GLU A 30 12.721 -3.912 -11.774 1.00 0.54 H new ATOM 0 HA GLU A 30 12.587 -4.401 -14.674 1.00 0.58 H new ATOM 0 HB2 GLU A 30 12.276 -6.548 -12.527 1.00 0.62 H new ATOM 0 HB3 GLU A 30 12.169 -6.790 -14.260 1.00 0.62 H new ATOM 0 HG2 GLU A 30 14.560 -6.127 -14.485 1.00 0.63 H new ATOM 0 HG3 GLU A 30 14.659 -5.933 -12.746 1.00 0.63 H new ATOM 436 N SER A 31 10.399 -3.503 -12.792 1.00 0.36 N ATOM 437 CA SER A 31 8.980 -3.238 -12.581 1.00 0.34 C ATOM 438 C SER A 31 8.540 -1.971 -13.305 1.00 0.36 C ATOM 439 O SER A 31 9.347 -1.297 -13.947 1.00 0.46 O ATOM 440 CB SER A 31 8.678 -3.108 -11.092 1.00 0.37 C ATOM 441 OG SER A 31 9.065 -4.271 -10.386 1.00 0.83 O ATOM 0 H SER A 31 11.027 -2.833 -12.348 1.00 0.36 H new ATOM 0 HA SER A 31 8.423 -4.081 -12.990 1.00 0.34 H new ATOM 0 HB2 SER A 31 9.202 -2.243 -10.687 1.00 0.37 H new ATOM 0 HB3 SER A 31 7.612 -2.931 -10.949 1.00 0.37 H new ATOM 0 HG SER A 31 8.996 -4.107 -9.422 1.00 0.83 H new ATOM 447 N HIS A 32 7.254 -1.652 -13.187 1.00 0.33 N ATOM 448 CA HIS A 32 6.688 -0.470 -13.819 1.00 0.39 C ATOM 449 C HIS A 32 5.235 -0.302 -13.395 1.00 0.34 C ATOM 450 O HIS A 32 4.414 -1.202 -13.574 1.00 0.36 O ATOM 451 CB HIS A 32 6.783 -0.580 -15.338 1.00 0.51 C ATOM 452 CG HIS A 32 6.420 0.678 -16.069 1.00 0.94 C ATOM 453 ND1 HIS A 32 6.431 0.774 -17.445 1.00 1.83 N ATOM 454 CD2 HIS A 32 6.038 1.896 -15.613 1.00 1.60 C ATOM 455 CE1 HIS A 32 6.075 1.996 -17.802 1.00 2.29 C ATOM 456 NE2 HIS A 32 5.830 2.695 -16.710 1.00 2.07 N ATOM 0 H HIS A 32 6.581 -2.203 -12.654 1.00 0.33 H new ATOM 0 HA HIS A 32 7.256 0.404 -13.500 1.00 0.39 H new ATOM 0 HB2 HIS A 32 7.801 -0.863 -15.608 1.00 0.51 H new ATOM 0 HB3 HIS A 32 6.129 -1.384 -15.675 1.00 0.51 H new ATOM 0 HD2 HIS A 32 5.919 2.184 -14.579 1.00 1.60 H new ATOM 0 HE1 HIS A 32 5.998 2.360 -18.816 1.00 2.29 H new ATOM 0 HE2 HIS A 32 5.534 3.671 -16.685 1.00 2.07 H new ATOM 465 N ILE A 33 4.933 0.846 -12.817 1.00 0.36 N ATOM 466 CA ILE A 33 3.591 1.144 -12.340 1.00 0.36 C ATOM 467 C ILE A 33 2.561 1.140 -13.469 1.00 0.38 C ATOM 468 O ILE A 33 2.882 1.436 -14.620 1.00 0.50 O ATOM 469 CB ILE A 33 3.582 2.505 -11.638 1.00 0.53 C ATOM 470 CG1 ILE A 33 4.523 2.453 -10.434 1.00 0.58 C ATOM 471 CG2 ILE A 33 2.168 2.896 -11.216 1.00 0.93 C ATOM 472 CD1 ILE A 33 4.526 3.709 -9.602 1.00 1.05 C ATOM 0 H ILE A 33 5.606 1.597 -12.664 1.00 0.36 H new ATOM 0 HA ILE A 33 3.311 0.358 -11.638 1.00 0.36 H new ATOM 0 HB ILE A 33 3.932 3.269 -12.332 1.00 0.53 H new ATOM 0 HG12 ILE A 33 4.240 1.611 -9.801 1.00 0.58 H new ATOM 0 HG13 ILE A 33 5.536 2.261 -10.786 1.00 0.58 H new ATOM 0 HG21 ILE A 33 2.192 3.866 -10.720 1.00 0.93 H new ATOM 0 HG22 ILE A 33 1.528 2.954 -12.097 1.00 0.93 H new ATOM 0 HG23 ILE A 33 1.773 2.147 -10.529 1.00 0.93 H new ATOM 0 HD11 ILE A 33 5.218 3.592 -8.768 1.00 1.05 H new ATOM 0 HD12 ILE A 33 4.839 4.552 -10.218 1.00 1.05 H new ATOM 0 HD13 ILE A 33 3.523 3.893 -9.217 1.00 1.05 H new ATOM 484 N LEU A 34 1.316 0.805 -13.122 1.00 0.38 N ATOM 485 CA LEU A 34 0.229 0.762 -14.095 1.00 0.50 C ATOM 486 C LEU A 34 -1.030 1.434 -13.548 1.00 0.46 C ATOM 487 O LEU A 34 -1.526 2.403 -14.122 1.00 0.60 O ATOM 488 CB LEU A 34 -0.088 -0.686 -14.480 1.00 0.65 C ATOM 489 CG LEU A 34 1.048 -1.443 -15.170 1.00 1.01 C ATOM 490 CD1 LEU A 34 0.638 -2.883 -15.436 1.00 1.69 C ATOM 491 CD2 LEU A 34 1.437 -0.753 -16.470 1.00 1.34 C ATOM 0 H LEU A 34 1.038 0.560 -12.172 1.00 0.38 H new ATOM 0 HA LEU A 34 0.556 1.307 -14.980 1.00 0.50 H new ATOM 0 HB2 LEU A 34 -0.371 -1.231 -13.579 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -0.956 -0.688 -15.139 1.00 0.65 H new ATOM 0 HG LEU A 34 1.914 -1.444 -14.509 1.00 1.01 H new ATOM 0 HD11 LEU A 34 1.456 -3.409 -15.927 1.00 1.69 H new ATOM 0 HD12 LEU A 34 0.405 -3.375 -14.492 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -0.241 -2.898 -16.080 1.00 1.69 H new ATOM 0 HD21 LEU A 34 2.247 -1.305 -16.947 1.00 1.34 H new ATOM 0 HD22 LEU A 34 0.576 -0.722 -17.138 1.00 1.34 H new ATOM 0 HD23 LEU A 34 1.768 0.264 -16.258 1.00 1.34 H new ATOM 503 N THR A 35 -1.546 0.906 -12.439 1.00 0.46 N ATOM 504 CA THR A 35 -2.752 1.450 -11.820 1.00 0.43 C ATOM 505 C THR A 35 -2.431 2.180 -10.522 1.00 0.43 C ATOM 506 O THR A 35 -1.814 1.620 -9.618 1.00 0.52 O ATOM 507 CB THR A 35 -3.757 0.329 -11.544 1.00 0.49 C ATOM 508 OG1 THR A 35 -3.148 -0.717 -10.815 1.00 0.68 O ATOM 509 CG2 THR A 35 -4.353 -0.269 -12.801 1.00 0.72 C ATOM 0 H THR A 35 -1.148 0.103 -11.952 1.00 0.46 H new ATOM 0 HA THR A 35 -3.187 2.166 -12.517 1.00 0.43 H new ATOM 0 HB THR A 35 -4.560 0.795 -10.972 1.00 0.49 H new ATOM 0 HG1 THR A 35 -2.726 -1.346 -11.436 1.00 0.68 H new ATOM 0 HG21 THR A 35 -5.056 -1.057 -12.531 1.00 0.72 H new ATOM 0 HG22 THR A 35 -4.875 0.507 -13.361 1.00 0.72 H new ATOM 0 HG23 THR A 35 -3.557 -0.688 -13.417 1.00 0.72 H new ATOM 517 N VAL A 36 -2.865 3.433 -10.435 1.00 0.40 N ATOM 518 CA VAL A 36 -2.638 4.245 -9.246 1.00 0.46 C ATOM 519 C VAL A 36 -3.636 5.396 -9.170 1.00 0.48 C ATOM 520 O VAL A 36 -3.569 6.340 -9.959 1.00 0.56 O ATOM 521 CB VAL A 36 -1.199 4.801 -9.202 1.00 0.58 C ATOM 522 CG1 VAL A 36 -0.853 5.502 -10.505 1.00 1.32 C ATOM 523 CG2 VAL A 36 -1.025 5.746 -8.020 1.00 1.45 C ATOM 0 H VAL A 36 -3.378 3.909 -11.177 1.00 0.40 H new ATOM 0 HA VAL A 36 -2.781 3.593 -8.384 1.00 0.46 H new ATOM 0 HB VAL A 36 -0.513 3.963 -9.074 1.00 0.58 H new ATOM 0 HG11 VAL A 36 0.166 5.886 -10.452 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -0.932 4.795 -11.331 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -1.545 6.329 -10.668 1.00 1.32 H new ATOM 0 HG21 VAL A 36 -0.004 6.127 -8.006 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -1.722 6.579 -8.114 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -1.224 5.209 -7.093 1.00 1.45 H new ATOM 533 N SER A 37 -4.563 5.314 -8.215 1.00 0.45 N ATOM 534 CA SER A 37 -5.576 6.357 -8.045 1.00 0.54 C ATOM 535 C SER A 37 -6.550 6.022 -6.918 1.00 0.57 C ATOM 536 O SER A 37 -7.482 5.237 -7.108 1.00 1.08 O ATOM 537 CB SER A 37 -6.357 6.562 -9.347 1.00 0.65 C ATOM 538 OG SER A 37 -7.331 7.581 -9.202 1.00 1.28 O ATOM 0 H SER A 37 -4.634 4.542 -7.552 1.00 0.45 H new ATOM 0 HA SER A 37 -5.051 7.276 -7.783 1.00 0.54 H new ATOM 0 HB2 SER A 37 -5.669 6.824 -10.150 1.00 0.65 H new ATOM 0 HB3 SER A 37 -6.842 5.629 -9.635 1.00 0.65 H new ATOM 0 HG SER A 37 -7.815 7.694 -10.047 1.00 1.28 H new ATOM 544 N SER A 38 -6.340 6.640 -5.755 1.00 0.59 N ATOM 545 CA SER A 38 -7.205 6.431 -4.592 1.00 0.59 C ATOM 546 C SER A 38 -6.633 7.127 -3.360 1.00 0.52 C ATOM 547 O SER A 38 -6.333 6.481 -2.356 1.00 0.63 O ATOM 548 CB SER A 38 -7.383 4.935 -4.299 1.00 0.78 C ATOM 549 OG SER A 38 -6.138 4.321 -4.029 1.00 1.68 O ATOM 0 H SER A 38 -5.574 7.293 -5.593 1.00 0.59 H new ATOM 0 HA SER A 38 -8.179 6.862 -4.826 1.00 0.59 H new ATOM 0 HB2 SER A 38 -8.050 4.804 -3.447 1.00 0.78 H new ATOM 0 HB3 SER A 38 -7.856 4.447 -5.151 1.00 0.78 H new ATOM 0 HG SER A 38 -5.662 4.162 -4.871 1.00 1.68 H new ATOM 555 N PHE A 39 -6.494 8.448 -3.433 1.00 0.44 N ATOM 556 CA PHE A 39 -5.969 9.216 -2.312 1.00 0.50 C ATOM 557 C PHE A 39 -7.106 9.672 -1.412 1.00 0.57 C ATOM 558 O PHE A 39 -7.753 10.684 -1.676 1.00 0.75 O ATOM 559 CB PHE A 39 -5.167 10.424 -2.801 1.00 0.59 C ATOM 560 CG PHE A 39 -3.910 10.062 -3.549 1.00 0.59 C ATOM 561 CD1 PHE A 39 -3.970 9.239 -4.663 1.00 0.65 C ATOM 562 CD2 PHE A 39 -2.674 10.538 -3.139 1.00 0.83 C ATOM 563 CE1 PHE A 39 -2.822 8.899 -5.353 1.00 0.98 C ATOM 564 CE2 PHE A 39 -1.524 10.202 -3.826 1.00 1.19 C ATOM 565 CZ PHE A 39 -1.586 9.409 -4.929 1.00 1.26 C ATOM 0 H PHE A 39 -6.737 9.005 -4.252 1.00 0.44 H new ATOM 0 HA PHE A 39 -5.299 8.572 -1.742 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -5.801 11.030 -3.448 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -4.902 11.043 -1.944 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -4.925 8.859 -4.995 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -2.610 11.179 -2.272 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -2.876 8.246 -6.212 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -0.568 10.572 -3.485 1.00 1.19 H new ATOM 0 HZ PHE A 39 -0.686 9.173 -5.477 1.00 1.26 H new ATOM 575 N TYR A 40 -7.355 8.898 -0.364 1.00 0.65 N ATOM 576 CA TYR A 40 -8.429 9.192 0.575 1.00 0.81 C ATOM 577 C TYR A 40 -7.903 9.405 1.989 1.00 0.71 C ATOM 578 O TYR A 40 -6.696 9.365 2.231 1.00 0.71 O ATOM 579 CB TYR A 40 -9.439 8.045 0.562 1.00 1.01 C ATOM 580 CG TYR A 40 -8.796 6.702 0.783 1.00 1.49 C ATOM 581 CD1 TYR A 40 -8.190 6.395 1.994 1.00 2.39 C ATOM 582 CD2 TYR A 40 -8.781 5.746 -0.222 1.00 1.73 C ATOM 583 CE1 TYR A 40 -7.588 5.177 2.196 1.00 3.35 C ATOM 584 CE2 TYR A 40 -8.177 4.526 -0.026 1.00 2.61 C ATOM 585 CZ TYR A 40 -7.584 4.250 1.183 1.00 3.41 C ATOM 586 OH TYR A 40 -6.978 3.046 1.377 1.00 4.43 O ATOM 0 H TYR A 40 -6.824 8.056 -0.142 1.00 0.65 H new ATOM 0 HA TYR A 40 -8.910 10.119 0.262 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -10.187 8.217 1.336 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -9.964 8.039 -0.393 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -8.192 7.125 2.790 1.00 2.39 H new ATOM 0 HD2 TYR A 40 -9.250 5.962 -1.171 1.00 1.73 H new ATOM 0 HE1 TYR A 40 -7.122 4.950 3.143 1.00 3.35 H new ATOM 0 HE2 TYR A 40 -8.169 3.790 -0.816 1.00 2.61 H new ATOM 0 HH TYR A 40 -6.016 3.181 1.507 1.00 4.43 H new ATOM 596 N ARG A 41 -8.829 9.620 2.920 1.00 0.70 N ATOM 597 CA ARG A 41 -8.480 9.836 4.319 1.00 0.67 C ATOM 598 C ARG A 41 -8.623 8.545 5.123 1.00 0.64 C ATOM 599 O ARG A 41 -9.433 7.681 4.788 1.00 0.70 O ATOM 600 CB ARG A 41 -9.377 10.920 4.924 1.00 0.79 C ATOM 601 CG ARG A 41 -9.059 11.229 6.377 1.00 0.95 C ATOM 602 CD ARG A 41 -10.016 12.258 6.955 1.00 1.52 C ATOM 603 NE ARG A 41 -11.402 11.798 6.919 1.00 2.11 N ATOM 604 CZ ARG A 41 -12.427 12.507 7.384 1.00 2.49 C ATOM 605 NH1 ARG A 41 -12.223 13.704 7.917 1.00 2.37 N ATOM 606 NH2 ARG A 41 -13.657 12.016 7.317 1.00 3.51 N ATOM 0 H ARG A 41 -9.830 9.649 2.728 1.00 0.70 H new ATOM 0 HA ARG A 41 -7.440 10.159 4.362 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -9.277 11.833 4.337 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -10.417 10.604 4.847 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -9.112 10.312 6.964 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -8.037 11.599 6.455 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -9.734 12.477 7.985 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -9.928 13.189 6.395 1.00 1.52 H new ATOM 0 HE ARG A 41 -11.595 10.882 6.515 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -11.278 14.084 7.971 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -13.011 14.245 8.273 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -13.817 11.095 6.909 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -14.443 12.559 7.673 1.00 3.51 H new ATOM 620 N THR A 42 -7.838 8.426 6.190 1.00 0.80 N ATOM 621 CA THR A 42 -7.885 7.247 7.046 1.00 0.97 C ATOM 622 C THR A 42 -7.610 7.619 8.504 1.00 1.03 C ATOM 623 O THR A 42 -6.576 8.213 8.816 1.00 1.12 O ATOM 624 CB THR A 42 -6.872 6.200 6.579 1.00 1.17 C ATOM 625 OG1 THR A 42 -7.120 5.828 5.234 1.00 1.44 O ATOM 626 CG2 THR A 42 -6.887 4.938 7.414 1.00 1.32 C ATOM 0 H THR A 42 -7.162 9.132 6.482 1.00 0.80 H new ATOM 0 HA THR A 42 -8.888 6.825 6.976 1.00 0.97 H new ATOM 0 HB THR A 42 -5.896 6.675 6.685 1.00 1.17 H new ATOM 0 HG1 THR A 42 -6.268 5.695 4.769 1.00 1.44 H new ATOM 0 HG21 THR A 42 -6.145 4.238 7.029 1.00 1.32 H new ATOM 0 HG22 THR A 42 -6.651 5.184 8.449 1.00 1.32 H new ATOM 0 HG23 THR A 42 -7.876 4.482 7.366 1.00 1.32 H new ATOM 634 N PRO A 43 -8.537 7.275 9.415 1.00 1.12 N ATOM 635 CA PRO A 43 -8.397 7.571 10.837 1.00 1.31 C ATOM 636 C PRO A 43 -7.660 6.462 11.590 1.00 1.50 C ATOM 637 O PRO A 43 -8.131 5.325 11.646 1.00 1.71 O ATOM 638 CB PRO A 43 -9.852 7.661 11.291 1.00 1.48 C ATOM 639 CG PRO A 43 -10.585 6.692 10.422 1.00 1.38 C ATOM 640 CD PRO A 43 -9.803 6.574 9.132 1.00 1.15 C ATOM 0 HA PRO A 43 -7.810 8.470 11.028 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -9.954 7.402 12.345 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -10.242 8.672 11.172 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -10.669 5.722 10.912 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -11.600 7.040 10.227 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -9.630 5.532 8.864 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -10.336 7.033 8.299 1.00 1.15 H new ATOM 648 N PRO A 44 -6.489 6.774 12.179 1.00 1.55 N ATOM 649 CA PRO A 44 -5.691 5.790 12.924 1.00 1.80 C ATOM 650 C PRO A 44 -6.479 5.143 14.060 1.00 2.15 C ATOM 651 O PRO A 44 -6.902 3.991 13.953 1.00 2.77 O ATOM 652 CB PRO A 44 -4.525 6.616 13.476 1.00 1.80 C ATOM 653 CG PRO A 44 -4.432 7.793 12.570 1.00 1.81 C ATOM 654 CD PRO A 44 -5.844 8.100 12.163 1.00 1.54 C ATOM 0 HA PRO A 44 -5.376 4.960 12.292 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -4.710 6.923 14.506 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -3.598 6.042 13.476 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -3.976 8.643 13.077 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -3.813 7.571 11.701 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -6.323 8.790 12.857 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -5.889 8.559 11.175 1.00 1.54 H new ATOM 662 N LEU A 45 -6.671 5.889 15.145 1.00 2.16 N ATOM 663 CA LEU A 45 -7.411 5.390 16.303 1.00 2.52 C ATOM 664 C LEU A 45 -6.796 4.100 16.838 1.00 2.69 C ATOM 665 O LEU A 45 -7.508 3.144 17.150 1.00 3.09 O ATOM 666 CB LEU A 45 -8.883 5.158 15.945 1.00 2.75 C ATOM 667 CG LEU A 45 -9.728 6.424 15.757 1.00 3.05 C ATOM 668 CD1 LEU A 45 -9.742 7.254 17.032 1.00 3.66 C ATOM 669 CD2 LEU A 45 -9.214 7.248 14.588 1.00 3.32 C ATOM 0 H LEU A 45 -6.324 6.843 15.247 1.00 2.16 H new ATOM 0 HA LEU A 45 -7.352 6.148 17.084 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -8.927 4.574 15.026 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -9.338 4.553 16.729 1.00 2.75 H new ATOM 0 HG LEU A 45 -10.751 6.119 15.535 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -10.347 8.148 16.878 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -10.166 6.665 17.845 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -8.723 7.545 17.288 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -9.829 8.141 14.474 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -8.181 7.540 14.775 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -9.263 6.655 13.675 1.00 3.32 H new ATOM 681 N GLY A 46 -5.473 4.081 16.948 1.00 2.52 N ATOM 682 CA GLY A 46 -4.786 2.908 17.452 1.00 2.73 C ATOM 683 C GLY A 46 -3.294 3.134 17.575 1.00 2.68 C ATOM 684 O GLY A 46 -2.798 3.433 18.661 1.00 2.81 O ATOM 0 H GLY A 46 -4.863 4.859 16.696 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -5.194 2.640 18.427 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -4.971 2.065 16.786 1.00 2.73 H new ATOM 688 N PRO A 47 -2.547 3.001 16.467 1.00 2.59 N ATOM 689 CA PRO A 47 -1.096 3.197 16.462 1.00 2.65 C ATOM 690 C PRO A 47 -0.713 4.660 16.649 1.00 2.60 C ATOM 691 O PRO A 47 0.394 4.972 17.094 1.00 2.86 O ATOM 692 CB PRO A 47 -0.661 2.708 15.071 1.00 2.59 C ATOM 693 CG PRO A 47 -1.850 2.010 14.498 1.00 2.63 C ATOM 694 CD PRO A 47 -3.048 2.649 15.133 1.00 2.54 C ATOM 0 HA PRO A 47 -0.615 2.662 17.281 1.00 2.65 H new ATOM 0 HB2 PRO A 47 -0.356 3.543 14.440 1.00 2.59 H new ATOM 0 HB3 PRO A 47 0.192 2.034 15.142 1.00 2.59 H new ATOM 0 HG2 PRO A 47 -1.880 2.116 13.414 1.00 2.63 H new ATOM 0 HG3 PRO A 47 -1.817 0.942 14.713 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -3.381 3.527 14.580 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -3.894 1.964 15.185 1.00 2.54 H new ATOM 702 N GLN A 48 -1.632 5.556 16.304 1.00 2.39 N ATOM 703 CA GLN A 48 -1.394 6.988 16.429 1.00 2.50 C ATOM 704 C GLN A 48 -2.579 7.679 17.097 1.00 2.40 C ATOM 705 O GLN A 48 -3.367 7.039 17.794 1.00 2.57 O ATOM 706 CB GLN A 48 -1.136 7.594 15.049 1.00 2.56 C ATOM 707 CG GLN A 48 0.065 6.991 14.339 1.00 2.73 C ATOM 708 CD GLN A 48 0.219 7.482 12.910 1.00 2.73 C ATOM 709 OE1 GLN A 48 -0.718 8.309 12.456 1.00 3.26 O flip ATOM 710 NE2 GLN A 48 1.170 7.117 12.220 1.00 2.45 N flip ATOM 0 H GLN A 48 -2.551 5.314 15.934 1.00 2.39 H new ATOM 0 HA GLN A 48 -0.515 7.140 17.056 1.00 2.50 H new ATOM 0 HB2 GLN A 48 -2.022 7.457 14.429 1.00 2.56 H new ATOM 0 HB3 GLN A 48 -0.984 8.668 15.155 1.00 2.56 H new ATOM 0 HG2 GLN A 48 0.969 7.231 14.899 1.00 2.73 H new ATOM 0 HG3 GLN A 48 -0.029 5.905 14.336 1.00 2.73 H new ATOM 0 HE21 GLN A 48 1.867 6.481 12.608 1.00 2.45 H new ATOM 0 HE22 GLN A 48 1.261 7.450 11.260 1.00 2.45 H new ATOM 719 N ASP A 49 -2.702 8.987 16.886 1.00 2.45 N ATOM 720 CA ASP A 49 -3.794 9.753 17.478 1.00 2.47 C ATOM 721 C ASP A 49 -4.394 10.733 16.473 1.00 2.38 C ATOM 722 O ASP A 49 -5.614 10.803 16.317 1.00 2.57 O ATOM 723 CB ASP A 49 -3.306 10.508 18.715 1.00 2.79 C ATOM 724 CG ASP A 49 -2.171 11.463 18.403 1.00 2.83 C ATOM 725 OD1 ASP A 49 -1.112 10.995 17.933 1.00 3.28 O ATOM 726 OD2 ASP A 49 -2.341 12.681 18.627 1.00 3.02 O ATOM 0 H ASP A 49 -2.062 9.536 16.312 1.00 2.45 H new ATOM 0 HA ASP A 49 -4.572 9.048 17.772 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -4.137 11.065 19.147 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -2.977 9.791 19.468 1.00 2.79 H new ATOM 731 N GLN A 50 -3.536 11.491 15.797 1.00 2.26 N ATOM 732 CA GLN A 50 -3.998 12.465 14.816 1.00 2.39 C ATOM 733 C GLN A 50 -4.611 11.774 13.598 1.00 2.01 C ATOM 734 O GLN A 50 -4.039 10.829 13.055 1.00 2.19 O ATOM 735 CB GLN A 50 -2.848 13.397 14.401 1.00 3.08 C ATOM 736 CG GLN A 50 -1.597 12.681 13.911 1.00 3.45 C ATOM 737 CD GLN A 50 -1.722 12.175 12.486 1.00 3.73 C ATOM 738 OE1 GLN A 50 -1.991 12.942 11.564 1.00 4.34 O ATOM 739 NE2 GLN A 50 -1.515 10.877 12.299 1.00 3.74 N ATOM 0 H GLN A 50 -2.523 11.450 15.910 1.00 2.26 H new ATOM 0 HA GLN A 50 -4.778 13.069 15.279 1.00 2.39 H new ATOM 0 HB2 GLN A 50 -3.203 14.061 13.613 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -2.582 14.025 15.251 1.00 3.08 H new ATOM 0 HG2 GLN A 50 -0.747 13.361 13.976 1.00 3.45 H new ATOM 0 HG3 GLN A 50 -1.384 11.841 14.572 1.00 3.45 H new ATOM 0 HE21 GLN A 50 -1.294 10.276 13.093 1.00 3.74 H new ATOM 0 HE22 GLN A 50 -1.577 10.481 11.361 1.00 3.74 H new ATOM 748 N PRO A 51 -5.803 12.224 13.164 1.00 1.98 N ATOM 749 CA PRO A 51 -6.504 11.644 12.025 1.00 2.00 C ATOM 750 C PRO A 51 -6.151 12.327 10.707 1.00 1.82 C ATOM 751 O PRO A 51 -6.867 13.217 10.246 1.00 2.47 O ATOM 752 CB PRO A 51 -7.964 11.893 12.388 1.00 2.71 C ATOM 753 CG PRO A 51 -7.951 13.188 13.135 1.00 2.89 C ATOM 754 CD PRO A 51 -6.581 13.326 13.761 1.00 2.51 C ATOM 0 HA PRO A 51 -6.249 10.597 11.863 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -8.589 11.955 11.497 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -8.363 11.085 13.002 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -8.153 14.022 12.463 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -8.727 13.199 13.900 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -6.136 14.296 13.537 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -6.628 13.239 14.847 1.00 2.51 H new ATOM 762 N ASP A 52 -5.045 11.904 10.105 1.00 1.32 N ATOM 763 CA ASP A 52 -4.596 12.472 8.840 1.00 1.52 C ATOM 764 C ASP A 52 -3.811 11.446 8.030 1.00 1.28 C ATOM 765 O ASP A 52 -2.925 11.802 7.253 1.00 2.07 O ATOM 766 CB ASP A 52 -3.729 13.709 9.087 1.00 2.12 C ATOM 767 CG ASP A 52 -4.482 14.821 9.790 1.00 2.77 C ATOM 768 OD1 ASP A 52 -5.486 15.305 9.227 1.00 3.33 O ATOM 769 OD2 ASP A 52 -4.067 15.208 10.904 1.00 3.26 O ATOM 0 H ASP A 52 -4.442 11.168 10.474 1.00 1.32 H new ATOM 0 HA ASP A 52 -5.479 12.763 8.271 1.00 1.52 H new ATOM 0 HB2 ASP A 52 -2.863 13.427 9.686 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -3.350 14.078 8.134 1.00 2.12 H new ATOM 774 N TYR A 53 -4.139 10.169 8.213 1.00 0.84 N ATOM 775 CA TYR A 53 -3.457 9.101 7.495 1.00 1.19 C ATOM 776 C TYR A 53 -3.990 8.981 6.070 1.00 0.96 C ATOM 777 O TYR A 53 -5.083 8.460 5.846 1.00 1.43 O ATOM 778 CB TYR A 53 -3.628 7.772 8.239 1.00 2.08 C ATOM 779 CG TYR A 53 -2.858 6.616 7.634 1.00 3.12 C ATOM 780 CD1 TYR A 53 -1.564 6.792 7.163 1.00 3.74 C ATOM 781 CD2 TYR A 53 -3.429 5.354 7.524 1.00 3.88 C ATOM 782 CE1 TYR A 53 -0.858 5.743 6.605 1.00 4.86 C ATOM 783 CE2 TYR A 53 -2.729 4.300 6.967 1.00 5.03 C ATOM 784 CZ TYR A 53 -1.447 4.484 6.535 1.00 5.45 C ATOM 785 OH TYR A 53 -0.745 3.454 5.952 1.00 6.66 O ATOM 0 H TYR A 53 -4.870 9.852 8.850 1.00 0.84 H new ATOM 0 HA TYR A 53 -2.396 9.344 7.444 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -3.309 7.904 9.273 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -4.687 7.515 8.262 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -1.101 7.765 7.234 1.00 3.74 H new ATOM 0 HD2 TYR A 53 -4.436 5.194 7.879 1.00 3.88 H new ATOM 0 HE1 TYR A 53 0.142 5.899 6.227 1.00 4.86 H new ATOM 0 HE2 TYR A 53 -3.196 3.331 6.874 1.00 5.03 H new ATOM 0 HH TYR A 53 -1.284 2.636 5.977 1.00 6.66 H new ATOM 795 N LEU A 54 -3.207 9.464 5.110 1.00 0.84 N ATOM 796 CA LEU A 54 -3.592 9.409 3.702 1.00 0.76 C ATOM 797 C LEU A 54 -3.124 8.101 3.080 1.00 0.76 C ATOM 798 O LEU A 54 -2.120 7.531 3.509 1.00 0.98 O ATOM 799 CB LEU A 54 -2.979 10.584 2.939 1.00 0.97 C ATOM 800 CG LEU A 54 -3.253 10.593 1.435 1.00 1.15 C ATOM 801 CD1 LEU A 54 -4.638 11.148 1.142 1.00 1.60 C ATOM 802 CD2 LEU A 54 -2.185 11.386 0.703 1.00 1.60 C ATOM 0 H LEU A 54 -2.300 9.899 5.281 1.00 0.84 H new ATOM 0 HA LEU A 54 -4.679 9.469 3.639 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -3.357 11.512 3.367 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -1.900 10.576 3.096 1.00 0.97 H new ATOM 0 HG LEU A 54 -3.220 9.565 1.075 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -4.811 11.145 0.066 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -5.389 10.529 1.632 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -4.708 12.169 1.518 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -2.397 11.381 -0.366 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -2.181 12.413 1.067 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -1.209 10.934 0.882 1.00 1.60 H new ATOM 814 N ASN A 55 -3.841 7.628 2.065 1.00 0.60 N ATOM 815 CA ASN A 55 -3.463 6.382 1.405 1.00 0.66 C ATOM 816 C ASN A 55 -3.801 6.404 -0.080 1.00 0.50 C ATOM 817 O ASN A 55 -4.535 7.271 -0.551 1.00 0.56 O ATOM 818 CB ASN A 55 -4.149 5.184 2.063 1.00 0.87 C ATOM 819 CG ASN A 55 -3.726 4.969 3.503 1.00 1.51 C ATOM 820 OD1 ASN A 55 -3.976 5.803 4.369 1.00 2.21 O ATOM 821 ND2 ASN A 55 -3.078 3.840 3.763 1.00 2.21 N ATOM 0 H ASN A 55 -4.674 8.079 1.686 1.00 0.60 H new ATOM 0 HA ASN A 55 -2.383 6.284 1.513 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -5.229 5.327 2.026 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -3.926 4.285 1.488 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -2.767 3.638 4.713 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -2.891 3.175 3.013 1.00 2.21 H new ATOM 828 N ALA A 56 -3.260 5.427 -0.801 1.00 0.50 N ATOM 829 CA ALA A 56 -3.488 5.295 -2.233 1.00 0.45 C ATOM 830 C ALA A 56 -3.316 3.845 -2.673 1.00 0.45 C ATOM 831 O ALA A 56 -2.867 3.001 -1.895 1.00 0.61 O ATOM 832 CB ALA A 56 -2.543 6.202 -3.005 1.00 0.58 C ATOM 0 H ALA A 56 -2.653 4.707 -0.409 1.00 0.50 H new ATOM 0 HA ALA A 56 -4.513 5.598 -2.448 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -2.725 6.092 -4.074 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -2.713 7.238 -2.712 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -1.512 5.927 -2.783 1.00 0.58 H new ATOM 838 N ALA A 57 -3.670 3.561 -3.922 1.00 0.43 N ATOM 839 CA ALA A 57 -3.553 2.211 -4.458 1.00 0.47 C ATOM 840 C ALA A 57 -2.675 2.196 -5.694 1.00 0.40 C ATOM 841 O ALA A 57 -2.931 2.926 -6.652 1.00 0.44 O ATOM 842 CB ALA A 57 -4.925 1.648 -4.791 1.00 0.59 C ATOM 0 H ALA A 57 -4.040 4.247 -4.580 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.090 1.585 -3.695 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -4.817 0.639 -5.190 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -5.535 1.618 -3.888 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -5.408 2.282 -5.534 1.00 0.59 H new ATOM 848 N VAL A 58 -1.638 1.362 -5.669 1.00 0.39 N ATOM 849 CA VAL A 58 -0.725 1.259 -6.795 1.00 0.39 C ATOM 850 C VAL A 58 -0.387 -0.194 -7.109 1.00 0.40 C ATOM 851 O VAL A 58 0.413 -0.821 -6.419 1.00 0.60 O ATOM 852 CB VAL A 58 0.585 2.026 -6.538 1.00 0.49 C ATOM 853 CG1 VAL A 58 1.401 2.126 -7.817 1.00 1.11 C ATOM 854 CG2 VAL A 58 0.301 3.405 -5.964 1.00 1.22 C ATOM 0 H VAL A 58 -1.413 0.752 -4.883 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.239 1.704 -7.647 1.00 0.39 H new ATOM 0 HB VAL A 58 1.169 1.473 -5.803 1.00 0.49 H new ATOM 0 HG11 VAL A 58 2.324 2.671 -7.618 1.00 1.11 H new ATOM 0 HG12 VAL A 58 1.641 1.125 -8.175 1.00 1.11 H new ATOM 0 HG13 VAL A 58 0.824 2.654 -8.576 1.00 1.11 H new ATOM 0 HG21 VAL A 58 1.242 3.928 -5.791 1.00 1.22 H new ATOM 0 HG22 VAL A 58 -0.306 3.974 -6.668 1.00 1.22 H new ATOM 0 HG23 VAL A 58 -0.236 3.303 -5.021 1.00 1.22 H new ATOM 864 N ALA A 59 -0.986 -0.709 -8.174 1.00 0.34 N ATOM 865 CA ALA A 59 -0.745 -2.072 -8.623 1.00 0.36 C ATOM 866 C ALA A 59 0.200 -2.039 -9.814 1.00 0.37 C ATOM 867 O ALA A 59 -0.217 -1.820 -10.951 1.00 0.43 O ATOM 868 CB ALA A 59 -2.056 -2.756 -8.987 1.00 0.44 C ATOM 0 H ALA A 59 -1.652 -0.194 -8.750 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.288 -2.647 -7.818 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -1.855 -3.774 -9.320 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -2.707 -2.782 -8.114 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -2.545 -2.202 -9.788 1.00 0.44 H new ATOM 874 N LEU A 60 1.481 -2.216 -9.530 1.00 0.37 N ATOM 875 CA LEU A 60 2.511 -2.168 -10.558 1.00 0.45 C ATOM 876 C LEU A 60 2.914 -3.555 -11.038 1.00 0.39 C ATOM 877 O LEU A 60 2.968 -4.504 -10.256 1.00 0.38 O ATOM 878 CB LEU A 60 3.726 -1.400 -10.008 1.00 0.56 C ATOM 879 CG LEU A 60 5.102 -1.838 -10.524 1.00 0.48 C ATOM 880 CD1 LEU A 60 6.109 -0.715 -10.346 1.00 0.44 C ATOM 881 CD2 LEU A 60 5.580 -3.080 -9.783 1.00 0.98 C ATOM 0 H LEU A 60 1.834 -2.395 -8.590 1.00 0.37 H new ATOM 0 HA LEU A 60 2.108 -1.650 -11.428 1.00 0.45 H new ATOM 0 HB2 LEU A 60 3.595 -0.343 -10.240 1.00 0.56 H new ATOM 0 HB3 LEU A 60 3.724 -1.491 -8.922 1.00 0.56 H new ATOM 0 HG LEU A 60 5.012 -2.074 -11.584 1.00 0.48 H new ATOM 0 HD11 LEU A 60 7.082 -1.037 -10.716 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.780 0.161 -10.905 1.00 0.44 H new ATOM 0 HD13 LEU A 60 6.188 -0.462 -9.289 1.00 0.44 H new ATOM 0 HD21 LEU A 60 6.558 -3.376 -10.162 1.00 0.98 H new ATOM 0 HD22 LEU A 60 5.655 -2.862 -8.718 1.00 0.98 H new ATOM 0 HD23 LEU A 60 4.870 -3.892 -9.938 1.00 0.98 H new ATOM 893 N GLU A 61 3.227 -3.653 -12.328 1.00 0.39 N ATOM 894 CA GLU A 61 3.664 -4.911 -12.911 1.00 0.38 C ATOM 895 C GLU A 61 5.147 -5.109 -12.625 1.00 0.36 C ATOM 896 O GLU A 61 6.003 -4.472 -13.242 1.00 0.38 O ATOM 897 CB GLU A 61 3.399 -4.939 -14.424 1.00 0.44 C ATOM 898 CG GLU A 61 4.042 -3.789 -15.185 1.00 1.08 C ATOM 899 CD GLU A 61 3.920 -3.939 -16.690 1.00 1.06 C ATOM 900 OE1 GLU A 61 2.776 -4.029 -17.185 1.00 1.39 O ATOM 901 OE2 GLU A 61 4.964 -3.969 -17.373 1.00 1.24 O ATOM 0 H GLU A 61 3.185 -2.875 -12.986 1.00 0.39 H new ATOM 0 HA GLU A 61 3.096 -5.725 -12.461 1.00 0.38 H new ATOM 0 HB2 GLU A 61 3.767 -5.881 -14.830 1.00 0.44 H new ATOM 0 HB3 GLU A 61 2.323 -4.918 -14.595 1.00 0.44 H new ATOM 0 HG2 GLU A 61 3.577 -2.852 -14.879 1.00 1.08 H new ATOM 0 HG3 GLU A 61 5.096 -3.725 -14.915 1.00 1.08 H new ATOM 908 N THR A 62 5.451 -5.974 -11.667 1.00 0.39 N ATOM 909 CA THR A 62 6.827 -6.224 -11.292 1.00 0.43 C ATOM 910 C THR A 62 7.345 -7.510 -11.905 1.00 0.39 C ATOM 911 O THR A 62 6.612 -8.278 -12.526 1.00 0.43 O ATOM 912 CB THR A 62 6.968 -6.295 -9.764 1.00 0.54 C ATOM 913 OG1 THR A 62 8.281 -6.665 -9.391 1.00 1.47 O ATOM 914 CG2 THR A 62 6.017 -7.277 -9.122 1.00 1.02 C ATOM 0 H THR A 62 4.762 -6.511 -11.140 1.00 0.39 H new ATOM 0 HA THR A 62 7.421 -5.394 -11.673 1.00 0.43 H new ATOM 0 HB THR A 62 6.728 -5.292 -9.410 1.00 0.54 H new ATOM 0 HG1 THR A 62 8.918 -6.009 -9.744 1.00 1.47 H new ATOM 0 HG21 THR A 62 6.169 -7.278 -8.043 1.00 1.02 H new ATOM 0 HG22 THR A 62 4.990 -6.987 -9.344 1.00 1.02 H new ATOM 0 HG23 THR A 62 6.205 -8.276 -9.516 1.00 1.02 H new ATOM 922 N SER A 63 8.619 -7.726 -11.678 1.00 0.40 N ATOM 923 CA SER A 63 9.323 -8.910 -12.136 1.00 0.44 C ATOM 924 C SER A 63 10.168 -9.389 -10.976 1.00 0.44 C ATOM 925 O SER A 63 10.707 -10.495 -10.962 1.00 0.64 O ATOM 926 CB SER A 63 10.185 -8.581 -13.351 1.00 0.56 C ATOM 927 OG SER A 63 9.385 -8.195 -14.455 1.00 1.23 O ATOM 0 H SER A 63 9.210 -7.075 -11.161 1.00 0.40 H new ATOM 0 HA SER A 63 8.627 -9.689 -12.448 1.00 0.44 H new ATOM 0 HB2 SER A 63 10.878 -7.778 -13.102 1.00 0.56 H new ATOM 0 HB3 SER A 63 10.786 -9.449 -13.620 1.00 0.56 H new ATOM 0 HG SER A 63 9.427 -7.222 -14.565 1.00 1.23 H new ATOM 933 N LEU A 64 10.226 -8.510 -9.986 1.00 0.39 N ATOM 934 CA LEU A 64 10.930 -8.729 -8.751 1.00 0.38 C ATOM 935 C LEU A 64 9.906 -8.854 -7.635 1.00 0.35 C ATOM 936 O LEU A 64 9.424 -7.846 -7.120 1.00 0.39 O ATOM 937 CB LEU A 64 11.860 -7.546 -8.469 1.00 0.42 C ATOM 938 CG LEU A 64 11.297 -6.171 -8.827 1.00 0.50 C ATOM 939 CD1 LEU A 64 11.961 -5.097 -7.980 1.00 0.78 C ATOM 940 CD2 LEU A 64 11.512 -5.878 -10.303 1.00 0.84 C ATOM 0 H LEU A 64 9.767 -7.600 -10.031 1.00 0.39 H new ATOM 0 HA LEU A 64 11.529 -9.637 -8.816 1.00 0.38 H new ATOM 0 HB2 LEU A 64 12.115 -7.551 -7.409 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.788 -7.695 -9.021 1.00 0.42 H new ATOM 0 HG LEU A 64 10.226 -6.170 -8.624 1.00 0.50 H new ATOM 0 HD11 LEU A 64 11.552 -4.121 -8.243 1.00 0.78 H new ATOM 0 HD12 LEU A 64 11.772 -5.297 -6.925 1.00 0.78 H new ATOM 0 HD13 LEU A 64 13.035 -5.102 -8.163 1.00 0.78 H new ATOM 0 HD21 LEU A 64 11.105 -4.895 -10.542 1.00 0.84 H new ATOM 0 HD22 LEU A 64 12.579 -5.893 -10.525 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.006 -6.635 -10.902 1.00 0.84 H new ATOM 952 N ALA A 65 9.555 -10.089 -7.290 1.00 0.38 N ATOM 953 CA ALA A 65 8.564 -10.342 -6.250 1.00 0.42 C ATOM 954 C ALA A 65 8.691 -9.336 -5.110 1.00 0.39 C ATOM 955 O ALA A 65 9.796 -8.913 -4.784 1.00 0.38 O ATOM 956 CB ALA A 65 8.707 -11.760 -5.721 1.00 0.52 C ATOM 0 H ALA A 65 9.943 -10.931 -7.716 1.00 0.38 H new ATOM 0 HA ALA A 65 7.574 -10.227 -6.692 1.00 0.42 H new ATOM 0 HB1 ALA A 65 7.962 -11.936 -4.945 1.00 0.52 H new ATOM 0 HB2 ALA A 65 8.558 -12.469 -6.535 1.00 0.52 H new ATOM 0 HB3 ALA A 65 9.705 -11.893 -5.302 1.00 0.52 H new ATOM 962 N PRO A 66 7.555 -8.930 -4.503 1.00 0.44 N ATOM 963 CA PRO A 66 7.520 -7.967 -3.397 1.00 0.47 C ATOM 964 C PRO A 66 8.708 -8.064 -2.460 1.00 0.45 C ATOM 965 O PRO A 66 9.038 -7.105 -1.772 1.00 0.49 O ATOM 966 CB PRO A 66 6.251 -8.370 -2.670 1.00 0.55 C ATOM 967 CG PRO A 66 5.330 -8.758 -3.764 1.00 0.57 C ATOM 968 CD PRO A 66 6.190 -9.365 -4.856 1.00 0.50 C ATOM 0 HA PRO A 66 7.550 -6.938 -3.755 1.00 0.47 H new ATOM 0 HB2 PRO A 66 6.428 -9.197 -1.983 1.00 0.55 H new ATOM 0 HB3 PRO A 66 5.848 -7.547 -2.080 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.588 -9.475 -3.411 1.00 0.57 H new ATOM 0 HG3 PRO A 66 4.784 -7.892 -4.137 1.00 0.57 H new ATOM 0 HD2 PRO A 66 6.107 -10.452 -4.874 1.00 0.50 H new ATOM 0 HD3 PRO A 66 5.897 -9.007 -5.843 1.00 0.50 H new ATOM 976 N GLU A 67 9.368 -9.207 -2.445 1.00 0.45 N ATOM 977 CA GLU A 67 10.526 -9.372 -1.606 1.00 0.49 C ATOM 978 C GLU A 67 11.535 -8.310 -1.999 1.00 0.44 C ATOM 979 O GLU A 67 11.982 -7.515 -1.181 1.00 0.47 O ATOM 980 CB GLU A 67 11.104 -10.772 -1.788 1.00 0.52 C ATOM 981 CG GLU A 67 10.064 -11.868 -1.613 1.00 0.71 C ATOM 982 CD GLU A 67 10.606 -13.246 -1.932 1.00 0.77 C ATOM 983 OE1 GLU A 67 11.043 -13.461 -3.083 1.00 1.20 O ATOM 984 OE2 GLU A 67 10.595 -14.112 -1.032 1.00 1.06 O ATOM 0 H GLU A 67 9.120 -10.025 -3.002 1.00 0.45 H new ATOM 0 HA GLU A 67 10.264 -9.259 -0.554 1.00 0.49 H new ATOM 0 HB2 GLU A 67 11.545 -10.851 -2.782 1.00 0.52 H new ATOM 0 HB3 GLU A 67 11.909 -10.924 -1.069 1.00 0.52 H new ATOM 0 HG2 GLU A 67 9.698 -11.855 -0.586 1.00 0.71 H new ATOM 0 HG3 GLU A 67 9.211 -11.660 -2.258 1.00 0.71 H new ATOM 991 N GLU A 68 11.845 -8.290 -3.286 1.00 0.40 N ATOM 992 CA GLU A 68 12.763 -7.326 -3.856 1.00 0.39 C ATOM 993 C GLU A 68 12.043 -6.013 -4.132 1.00 0.35 C ATOM 994 O GLU A 68 12.554 -4.936 -3.826 1.00 0.40 O ATOM 995 CB GLU A 68 13.320 -7.883 -5.156 1.00 0.41 C ATOM 996 CG GLU A 68 13.489 -9.390 -5.142 1.00 0.97 C ATOM 997 CD GLU A 68 14.534 -9.859 -4.145 1.00 1.52 C ATOM 998 OE1 GLU A 68 15.168 -9.002 -3.495 1.00 1.90 O ATOM 999 OE2 GLU A 68 14.721 -11.088 -4.020 1.00 2.06 O ATOM 0 H GLU A 68 11.463 -8.948 -3.965 1.00 0.40 H new ATOM 0 HA GLU A 68 13.574 -7.140 -3.152 1.00 0.39 H new ATOM 0 HB2 GLU A 68 12.656 -7.607 -5.975 1.00 0.41 H new ATOM 0 HB3 GLU A 68 14.285 -7.418 -5.358 1.00 0.41 H new ATOM 0 HG2 GLU A 68 12.533 -9.855 -4.904 1.00 0.97 H new ATOM 0 HG3 GLU A 68 13.769 -9.728 -6.140 1.00 0.97 H new ATOM 1006 N LEU A 69 10.843 -6.118 -4.710 1.00 0.32 N ATOM 1007 CA LEU A 69 10.034 -4.944 -5.021 1.00 0.33 C ATOM 1008 C LEU A 69 9.953 -4.027 -3.816 1.00 0.34 C ATOM 1009 O LEU A 69 9.977 -2.803 -3.949 1.00 0.44 O ATOM 1010 CB LEU A 69 8.628 -5.368 -5.466 1.00 0.38 C ATOM 1011 CG LEU A 69 7.491 -4.409 -5.074 1.00 0.44 C ATOM 1012 CD1 LEU A 69 7.467 -3.204 -6.001 1.00 0.66 C ATOM 1013 CD2 LEU A 69 6.142 -5.126 -5.074 1.00 0.67 C ATOM 0 H LEU A 69 10.413 -7.006 -4.971 1.00 0.32 H new ATOM 0 HA LEU A 69 10.507 -4.401 -5.839 1.00 0.33 H new ATOM 0 HB2 LEU A 69 8.628 -5.480 -6.550 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.413 -6.350 -5.044 1.00 0.38 H new ATOM 0 HG LEU A 69 7.678 -4.057 -4.060 1.00 0.44 H new ATOM 0 HD11 LEU A 69 6.656 -2.536 -5.709 1.00 0.66 H new ATOM 0 HD12 LEU A 69 8.417 -2.673 -5.933 1.00 0.66 H new ATOM 0 HD13 LEU A 69 7.311 -3.537 -7.027 1.00 0.66 H new ATOM 0 HD21 LEU A 69 5.357 -4.424 -4.793 1.00 0.67 H new ATOM 0 HD22 LEU A 69 5.939 -5.519 -6.070 1.00 0.67 H new ATOM 0 HD23 LEU A 69 6.167 -5.948 -4.358 1.00 0.67 H new ATOM 1025 N LEU A 70 9.875 -4.627 -2.637 1.00 0.39 N ATOM 1026 CA LEU A 70 9.810 -3.861 -1.409 1.00 0.47 C ATOM 1027 C LEU A 70 11.166 -3.271 -1.074 1.00 0.44 C ATOM 1028 O LEU A 70 11.246 -2.140 -0.607 1.00 0.47 O ATOM 1029 CB LEU A 70 9.285 -4.711 -0.252 1.00 0.62 C ATOM 1030 CG LEU A 70 7.779 -4.604 -0.019 1.00 0.99 C ATOM 1031 CD1 LEU A 70 7.389 -3.148 0.154 1.00 1.48 C ATOM 1032 CD2 LEU A 70 7.003 -5.226 -1.172 1.00 1.65 C ATOM 0 H LEU A 70 9.855 -5.639 -2.509 1.00 0.39 H new ATOM 0 HA LEU A 70 9.108 -3.041 -1.562 1.00 0.47 H new ATOM 0 HB2 LEU A 70 9.537 -5.754 -0.441 1.00 0.62 H new ATOM 0 HB3 LEU A 70 9.803 -4.418 0.661 1.00 0.62 H new ATOM 0 HG LEU A 70 7.529 -5.153 0.889 1.00 0.99 H new ATOM 0 HD11 LEU A 70 6.314 -3.076 0.320 1.00 1.48 H new ATOM 0 HD12 LEU A 70 7.917 -2.729 1.011 1.00 1.48 H new ATOM 0 HD13 LEU A 70 7.655 -2.591 -0.744 1.00 1.48 H new ATOM 0 HD21 LEU A 70 5.934 -5.136 -0.981 1.00 1.65 H new ATOM 0 HD22 LEU A 70 7.251 -4.708 -2.099 1.00 1.65 H new ATOM 0 HD23 LEU A 70 7.268 -6.279 -1.263 1.00 1.65 H new ATOM 1044 N ASN A 71 12.236 -4.024 -1.325 1.00 0.46 N ATOM 1045 CA ASN A 71 13.580 -3.524 -1.053 1.00 0.50 C ATOM 1046 C ASN A 71 13.739 -2.101 -1.587 1.00 0.41 C ATOM 1047 O ASN A 71 14.329 -1.246 -0.932 1.00 0.44 O ATOM 1048 CB ASN A 71 14.649 -4.415 -1.695 1.00 0.59 C ATOM 1049 CG ASN A 71 14.657 -5.839 -1.165 1.00 0.79 C ATOM 1050 OD1 ASN A 71 13.666 -6.187 -0.357 1.00 1.59 O flip ATOM 1051 ND2 ASN A 71 15.543 -6.625 -1.498 1.00 0.72 N flip ATOM 0 H ASN A 71 12.200 -4.968 -1.710 1.00 0.46 H new ATOM 0 HA ASN A 71 13.715 -3.532 0.029 1.00 0.50 H new ATOM 0 HB2 ASN A 71 14.490 -4.439 -2.773 1.00 0.59 H new ATOM 0 HB3 ASN A 71 15.629 -3.969 -1.528 1.00 0.59 H new ATOM 0 HD21 ASN A 71 16.289 -6.318 -2.122 1.00 0.72 H new ATOM 0 HD22 ASN A 71 15.532 -7.584 -1.150 1.00 0.72 H new ATOM 1058 N HIS A 72 13.213 -1.864 -2.789 1.00 0.37 N ATOM 1059 CA HIS A 72 13.304 -0.558 -3.434 1.00 0.35 C ATOM 1060 C HIS A 72 12.283 0.431 -2.882 1.00 0.32 C ATOM 1061 O HIS A 72 12.635 1.553 -2.523 1.00 0.35 O ATOM 1062 CB HIS A 72 13.125 -0.717 -4.943 1.00 0.39 C ATOM 1063 CG HIS A 72 14.198 -1.547 -5.574 1.00 0.57 C ATOM 1064 ND1 HIS A 72 15.462 -1.066 -5.844 1.00 1.07 N ATOM 1065 CD2 HIS A 72 14.201 -2.846 -5.964 1.00 0.61 C ATOM 1066 CE1 HIS A 72 16.194 -2.031 -6.378 1.00 1.40 C ATOM 1067 NE2 HIS A 72 15.452 -3.118 -6.460 1.00 1.11 N ATOM 0 H HIS A 72 12.716 -2.566 -3.337 1.00 0.37 H new ATOM 0 HA HIS A 72 14.292 -0.150 -3.220 1.00 0.35 H new ATOM 0 HB2 HIS A 72 12.156 -1.174 -5.142 1.00 0.39 H new ATOM 0 HB3 HIS A 72 13.115 0.269 -5.408 1.00 0.39 H new ATOM 0 HD2 HIS A 72 13.374 -3.537 -5.897 1.00 0.61 H new ATOM 0 HE1 HIS A 72 17.223 -1.943 -6.693 1.00 1.40 H new ATOM 0 HE2 HIS A 72 15.758 -4.017 -6.832 1.00 1.11 H new ATOM 1076 N THR A 73 11.020 0.024 -2.812 1.00 0.34 N ATOM 1077 CA THR A 73 9.982 0.909 -2.290 1.00 0.38 C ATOM 1078 C THR A 73 10.388 1.421 -0.908 1.00 0.36 C ATOM 1079 O THR A 73 10.318 2.620 -0.623 1.00 0.36 O ATOM 1080 CB THR A 73 8.645 0.175 -2.209 1.00 0.47 C ATOM 1081 OG1 THR A 73 8.746 -0.957 -1.367 1.00 0.77 O ATOM 1082 CG2 THR A 73 8.138 -0.298 -3.555 1.00 0.61 C ATOM 0 H THR A 73 10.693 -0.897 -3.104 1.00 0.34 H new ATOM 0 HA THR A 73 9.868 1.756 -2.966 1.00 0.38 H new ATOM 0 HB THR A 73 7.940 0.904 -1.809 1.00 0.47 H new ATOM 0 HG1 THR A 73 8.530 -0.700 -0.446 1.00 0.77 H new ATOM 0 HG21 THR A 73 7.185 -0.811 -3.425 1.00 0.61 H new ATOM 0 HG22 THR A 73 8.002 0.559 -4.214 1.00 0.61 H new ATOM 0 HG23 THR A 73 8.862 -0.983 -3.996 1.00 0.61 H new ATOM 1090 N GLN A 74 10.829 0.496 -0.064 1.00 0.39 N ATOM 1091 CA GLN A 74 11.266 0.823 1.281 1.00 0.42 C ATOM 1092 C GLN A 74 12.666 1.418 1.251 1.00 0.41 C ATOM 1093 O GLN A 74 13.135 1.979 2.239 1.00 0.50 O ATOM 1094 CB GLN A 74 11.233 -0.425 2.174 1.00 0.49 C ATOM 1095 CG GLN A 74 12.392 -1.392 1.958 1.00 1.45 C ATOM 1096 CD GLN A 74 13.658 -0.965 2.679 1.00 1.87 C ATOM 1097 OE1 GLN A 74 13.674 -0.834 3.904 1.00 2.25 O ATOM 1098 NE2 GLN A 74 14.726 -0.749 1.923 1.00 2.54 N ATOM 0 H GLN A 74 10.892 -0.496 -0.294 1.00 0.39 H new ATOM 0 HA GLN A 74 10.583 1.563 1.698 1.00 0.42 H new ATOM 0 HB2 GLN A 74 11.230 -0.109 3.217 1.00 0.49 H new ATOM 0 HB3 GLN A 74 10.297 -0.956 1.999 1.00 0.49 H new ATOM 0 HG2 GLN A 74 12.100 -2.384 2.303 1.00 1.45 H new ATOM 0 HG3 GLN A 74 12.597 -1.473 0.891 1.00 1.45 H new ATOM 0 HE21 GLN A 74 14.668 -0.870 0.912 1.00 2.54 H new ATOM 0 HE22 GLN A 74 15.606 -0.462 2.353 1.00 2.54 H new ATOM 1107 N ARG A 75 13.323 1.301 0.098 1.00 0.37 N ATOM 1108 CA ARG A 75 14.669 1.841 -0.064 1.00 0.41 C ATOM 1109 C ARG A 75 14.611 3.355 0.007 1.00 0.39 C ATOM 1110 O ARG A 75 15.536 4.009 0.489 1.00 0.43 O ATOM 1111 CB ARG A 75 15.269 1.405 -1.403 1.00 0.48 C ATOM 1112 CG ARG A 75 16.711 1.836 -1.606 1.00 0.89 C ATOM 1113 CD ARG A 75 17.224 1.417 -2.977 1.00 0.88 C ATOM 1114 NE ARG A 75 18.639 1.740 -3.151 1.00 1.59 N ATOM 1115 CZ ARG A 75 19.322 1.491 -4.264 1.00 2.26 C ATOM 1116 NH1 ARG A 75 18.727 0.919 -5.302 1.00 2.72 N ATOM 1117 NH2 ARG A 75 20.606 1.819 -4.340 1.00 3.06 N ATOM 0 H ARG A 75 12.947 0.841 -0.731 1.00 0.37 H new ATOM 0 HA ARG A 75 15.303 1.458 0.736 1.00 0.41 H new ATOM 0 HB2 ARG A 75 15.212 0.319 -1.478 1.00 0.48 H new ATOM 0 HB3 ARG A 75 14.662 1.813 -2.211 1.00 0.48 H new ATOM 0 HG2 ARG A 75 16.788 2.918 -1.501 1.00 0.89 H new ATOM 0 HG3 ARG A 75 17.337 1.396 -0.830 1.00 0.89 H new ATOM 0 HD2 ARG A 75 17.078 0.345 -3.107 1.00 0.88 H new ATOM 0 HD3 ARG A 75 16.640 1.915 -3.751 1.00 0.88 H new ATOM 0 HE ARG A 75 19.130 2.182 -2.374 1.00 1.59 H new ATOM 0 HH11 ARG A 75 17.740 0.668 -5.249 1.00 2.72 H new ATOM 0 HH12 ARG A 75 19.256 0.731 -6.153 1.00 2.72 H new ATOM 0 HH21 ARG A 75 21.067 2.261 -3.545 1.00 3.06 H new ATOM 0 HH22 ARG A 75 21.131 1.629 -5.193 1.00 3.06 H new ATOM 1131 N ILE A 76 13.499 3.899 -0.470 1.00 0.38 N ATOM 1132 CA ILE A 76 13.294 5.332 -0.461 1.00 0.41 C ATOM 1133 C ILE A 76 12.783 5.794 0.893 1.00 0.42 C ATOM 1134 O ILE A 76 13.382 6.668 1.503 1.00 0.44 O ATOM 1135 CB ILE A 76 12.307 5.772 -1.555 1.00 0.45 C ATOM 1136 CG1 ILE A 76 12.743 5.212 -2.912 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.212 7.291 -1.606 1.00 0.50 C ATOM 1138 CD1 ILE A 76 14.108 5.688 -3.364 1.00 0.83 C ATOM 0 H ILE A 76 12.727 3.364 -0.868 1.00 0.38 H new ATOM 0 HA ILE A 76 14.261 5.794 -0.662 1.00 0.41 H new ATOM 0 HB ILE A 76 11.319 5.377 -1.317 1.00 0.45 H new ATOM 0 HG12 ILE A 76 12.748 4.123 -2.860 1.00 0.55 H new ATOM 0 HG13 ILE A 76 12.005 5.492 -3.663 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.509 7.586 -2.386 1.00 0.50 H new ATOM 0 HG22 ILE A 76 11.864 7.666 -0.643 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.194 7.710 -1.826 1.00 0.50 H new ATOM 0 HD11 ILE A 76 14.345 5.248 -4.333 1.00 0.83 H new ATOM 0 HD12 ILE A 76 14.104 6.775 -3.451 1.00 0.83 H new ATOM 0 HD13 ILE A 76 14.859 5.385 -2.635 1.00 0.83 H new ATOM 1150 N GLU A 77 11.683 5.203 1.369 1.00 0.44 N ATOM 1151 CA GLU A 77 11.132 5.592 2.668 1.00 0.47 C ATOM 1152 C GLU A 77 12.196 5.498 3.754 1.00 0.48 C ATOM 1153 O GLU A 77 12.091 6.146 4.796 1.00 0.54 O ATOM 1154 CB GLU A 77 9.893 4.763 3.038 1.00 0.50 C ATOM 1155 CG GLU A 77 10.107 3.258 3.111 1.00 0.66 C ATOM 1156 CD GLU A 77 10.581 2.777 4.472 1.00 0.97 C ATOM 1157 OE1 GLU A 77 11.712 3.136 4.861 1.00 1.32 O ATOM 1158 OE2 GLU A 77 9.832 2.046 5.147 1.00 1.43 O ATOM 0 H GLU A 77 11.166 4.469 0.885 1.00 0.44 H new ATOM 0 HA GLU A 77 10.811 6.631 2.589 1.00 0.47 H new ATOM 0 HB2 GLU A 77 9.523 5.107 4.004 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.111 4.966 2.307 1.00 0.50 H new ATOM 0 HG2 GLU A 77 9.173 2.754 2.862 1.00 0.66 H new ATOM 0 HG3 GLU A 77 10.838 2.966 2.357 1.00 0.66 H new ATOM 1165 N LEU A 78 13.234 4.706 3.495 1.00 0.45 N ATOM 1166 CA LEU A 78 14.329 4.553 4.441 1.00 0.49 C ATOM 1167 C LEU A 78 15.249 5.762 4.334 1.00 0.49 C ATOM 1168 O LEU A 78 15.691 6.317 5.338 1.00 0.59 O ATOM 1169 CB LEU A 78 15.099 3.256 4.160 1.00 0.53 C ATOM 1170 CG LEU A 78 16.035 2.776 5.280 1.00 0.88 C ATOM 1171 CD1 LEU A 78 16.535 1.372 4.984 1.00 1.66 C ATOM 1172 CD2 LEU A 78 17.212 3.723 5.457 1.00 1.52 C ATOM 0 H LEU A 78 13.337 4.162 2.638 1.00 0.45 H new ATOM 0 HA LEU A 78 13.933 4.493 5.455 1.00 0.49 H new ATOM 0 HB2 LEU A 78 14.378 2.466 3.952 1.00 0.53 H new ATOM 0 HB3 LEU A 78 15.689 3.395 3.254 1.00 0.53 H new ATOM 0 HG LEU A 78 15.466 2.763 6.210 1.00 0.88 H new ATOM 0 HD11 LEU A 78 17.197 1.045 5.786 1.00 1.66 H new ATOM 0 HD12 LEU A 78 15.687 0.691 4.913 1.00 1.66 H new ATOM 0 HD13 LEU A 78 17.080 1.371 4.040 1.00 1.66 H new ATOM 0 HD21 LEU A 78 17.856 3.357 6.256 1.00 1.52 H new ATOM 0 HD22 LEU A 78 17.780 3.775 4.528 1.00 1.52 H new ATOM 0 HD23 LEU A 78 16.844 4.716 5.714 1.00 1.52 H new ATOM 1184 N GLN A 79 15.516 6.175 3.100 1.00 0.47 N ATOM 1185 CA GLN A 79 16.364 7.331 2.845 1.00 0.52 C ATOM 1186 C GLN A 79 15.508 8.579 2.637 1.00 0.53 C ATOM 1187 O GLN A 79 16.004 9.624 2.214 1.00 0.72 O ATOM 1188 CB GLN A 79 17.241 7.085 1.616 1.00 0.63 C ATOM 1189 CG GLN A 79 18.141 5.866 1.746 1.00 1.12 C ATOM 1190 CD GLN A 79 19.006 5.627 0.518 1.00 1.67 C ATOM 1191 OE1 GLN A 79 18.888 6.495 -0.482 1.00 2.24 O flip ATOM 1192 NE2 GLN A 79 19.777 4.668 0.471 1.00 2.32 N flip ATOM 0 H GLN A 79 15.156 5.724 2.259 1.00 0.47 H new ATOM 0 HA GLN A 79 17.008 7.487 3.710 1.00 0.52 H new ATOM 0 HB2 GLN A 79 16.601 6.963 0.742 1.00 0.63 H new ATOM 0 HB3 GLN A 79 17.859 7.965 1.438 1.00 0.63 H new ATOM 0 HG2 GLN A 79 18.784 5.988 2.617 1.00 1.12 H new ATOM 0 HG3 GLN A 79 17.525 4.985 1.926 1.00 1.12 H new ATOM 0 HE21 GLN A 79 19.839 4.024 1.260 1.00 2.32 H new ATOM 0 HE22 GLN A 79 20.354 4.518 -0.357 1.00 2.32 H new ATOM 1201 N GLN A 80 14.216 8.454 2.938 1.00 0.61 N ATOM 1202 CA GLN A 80 13.277 9.561 2.787 1.00 0.72 C ATOM 1203 C GLN A 80 12.722 9.989 4.144 1.00 0.88 C ATOM 1204 O GLN A 80 12.567 11.180 4.413 1.00 1.15 O ATOM 1205 CB GLN A 80 12.124 9.175 1.849 1.00 0.74 C ATOM 1206 CG GLN A 80 11.096 10.284 1.674 1.00 1.27 C ATOM 1207 CD GLN A 80 11.660 11.508 0.978 1.00 1.51 C ATOM 1208 OE1 GLN A 80 12.590 12.146 1.473 1.00 2.00 O ATOM 1209 NE2 GLN A 80 11.095 11.844 -0.176 1.00 2.07 N ATOM 0 H GLN A 80 13.796 7.593 3.289 1.00 0.61 H new ATOM 0 HA GLN A 80 13.818 10.400 2.349 1.00 0.72 H new ATOM 0 HB2 GLN A 80 12.531 8.909 0.874 1.00 0.74 H new ATOM 0 HB3 GLN A 80 11.628 8.287 2.240 1.00 0.74 H new ATOM 0 HG2 GLN A 80 10.252 9.902 1.100 1.00 1.27 H new ATOM 0 HG3 GLN A 80 10.711 10.573 2.652 1.00 1.27 H new ATOM 0 HE21 GLN A 80 10.327 11.286 -0.549 1.00 2.07 H new ATOM 0 HE22 GLN A 80 11.429 12.660 -0.689 1.00 2.07 H new ATOM 1218 N GLY A 81 12.425 9.009 4.995 1.00 0.99 N ATOM 1219 CA GLY A 81 11.889 9.307 6.314 1.00 1.25 C ATOM 1220 C GLY A 81 12.937 9.214 7.405 1.00 1.79 C ATOM 1221 O GLY A 81 12.671 9.546 8.561 1.00 2.18 O ATOM 0 H GLY A 81 12.545 8.016 4.796 1.00 0.99 H new ATOM 0 HA2 GLY A 81 11.462 10.310 6.310 1.00 1.25 H new ATOM 0 HA3 GLY A 81 11.076 8.615 6.536 1.00 1.25 H new ATOM 1225 N ARG A 82 14.134 8.771 7.039 1.00 2.09 N ATOM 1226 CA ARG A 82 15.229 8.645 7.994 1.00 2.89 C ATOM 1227 C ARG A 82 16.424 9.472 7.540 1.00 2.71 C ATOM 1228 O ARG A 82 16.604 9.707 6.344 1.00 3.22 O ATOM 1229 CB ARG A 82 15.632 7.179 8.156 1.00 3.76 C ATOM 1230 CG ARG A 82 14.501 6.287 8.638 1.00 4.75 C ATOM 1231 CD ARG A 82 14.933 4.830 8.706 1.00 5.59 C ATOM 1232 NE ARG A 82 16.050 4.632 9.626 1.00 6.37 N ATOM 1233 CZ ARG A 82 16.624 3.453 9.846 1.00 7.14 C ATOM 1234 NH1 ARG A 82 16.192 2.371 9.209 1.00 7.29 N ATOM 1235 NH2 ARG A 82 17.636 3.354 10.697 1.00 8.02 N ATOM 0 H ARG A 82 14.371 8.493 6.087 1.00 2.09 H new ATOM 0 HA ARG A 82 14.890 9.020 8.960 1.00 2.89 H new ATOM 0 HB2 ARG A 82 15.997 6.804 7.200 1.00 3.76 H new ATOM 0 HB3 ARG A 82 16.460 7.114 8.862 1.00 3.76 H new ATOM 0 HG2 ARG A 82 14.171 6.616 9.623 1.00 4.75 H new ATOM 0 HG3 ARG A 82 13.648 6.384 7.967 1.00 4.75 H new ATOM 0 HD2 ARG A 82 14.090 4.216 9.023 1.00 5.59 H new ATOM 0 HD3 ARG A 82 15.219 4.490 7.711 1.00 5.59 H new ATOM 0 HE ARG A 82 16.410 5.444 10.128 1.00 6.37 H new ATOM 0 HH11 ARG A 82 15.418 2.443 8.549 1.00 7.29 H new ATOM 0 HH12 ARG A 82 16.634 1.468 9.380 1.00 7.29 H new ATOM 0 HH21 ARG A 82 17.976 4.183 11.184 1.00 8.02 H new ATOM 0 HH22 ARG A 82 18.075 2.449 10.864 1.00 8.02 H new ATOM 1249 N VAL A 83 17.231 9.924 8.498 1.00 2.65 N ATOM 1250 CA VAL A 83 18.403 10.739 8.193 1.00 2.95 C ATOM 1251 C VAL A 83 17.971 12.069 7.573 1.00 2.78 C ATOM 1252 O VAL A 83 18.798 12.880 7.154 1.00 3.48 O ATOM 1253 CB VAL A 83 19.367 10.003 7.234 1.00 3.70 C ATOM 1254 CG1 VAL A 83 20.683 10.755 7.097 1.00 4.50 C ATOM 1255 CG2 VAL A 83 19.611 8.579 7.715 1.00 4.33 C ATOM 0 H VAL A 83 17.094 9.739 9.492 1.00 2.65 H new ATOM 0 HA VAL A 83 18.931 10.928 9.127 1.00 2.95 H new ATOM 0 HB VAL A 83 18.900 9.962 6.250 1.00 3.70 H new ATOM 0 HG11 VAL A 83 21.342 10.215 6.417 1.00 4.50 H new ATOM 0 HG12 VAL A 83 20.492 11.753 6.702 1.00 4.50 H new ATOM 0 HG13 VAL A 83 21.159 10.837 8.074 1.00 4.50 H new ATOM 0 HG21 VAL A 83 20.292 8.075 7.029 1.00 4.33 H new ATOM 0 HG22 VAL A 83 20.052 8.602 8.712 1.00 4.33 H new ATOM 0 HG23 VAL A 83 18.665 8.039 7.749 1.00 4.33 H new ATOM 1265 N ARG A 84 16.659 12.286 7.527 1.00 2.54 N ATOM 1266 CA ARG A 84 16.093 13.508 6.971 1.00 3.37 C ATOM 1267 C ARG A 84 15.162 14.173 7.979 1.00 3.75 C ATOM 1268 O ARG A 84 14.626 15.252 7.728 1.00 4.35 O ATOM 1269 CB ARG A 84 15.325 13.200 5.682 1.00 3.92 C ATOM 1270 CG ARG A 84 16.189 12.605 4.581 1.00 4.19 C ATOM 1271 CD ARG A 84 17.267 13.579 4.130 1.00 5.23 C ATOM 1272 NE ARG A 84 16.699 14.819 3.612 1.00 5.75 N ATOM 1273 CZ ARG A 84 17.430 15.825 3.143 1.00 6.40 C ATOM 1274 NH1 ARG A 84 18.754 15.741 3.135 1.00 6.67 N ATOM 1275 NH2 ARG A 84 16.837 16.920 2.683 1.00 7.08 N ATOM 0 H ARG A 84 15.964 11.624 7.872 1.00 2.54 H new ATOM 0 HA ARG A 84 16.911 14.191 6.743 1.00 3.37 H new ATOM 0 HB2 ARG A 84 14.515 12.508 5.909 1.00 3.92 H new ATOM 0 HB3 ARG A 84 14.866 14.118 5.315 1.00 3.92 H new ATOM 0 HG2 ARG A 84 16.654 11.686 4.938 1.00 4.19 H new ATOM 0 HG3 ARG A 84 15.562 12.335 3.731 1.00 4.19 H new ATOM 0 HD2 ARG A 84 17.926 13.804 4.968 1.00 5.23 H new ATOM 0 HD3 ARG A 84 17.880 13.111 3.360 1.00 5.23 H new ATOM 0 HE ARG A 84 15.684 14.919 3.610 1.00 5.75 H new ATOM 0 HH11 ARG A 84 19.214 14.902 3.489 1.00 6.67 H new ATOM 0 HH12 ARG A 84 19.312 16.515 2.774 1.00 6.67 H new ATOM 0 HH21 ARG A 84 15.819 16.990 2.689 1.00 7.08 H new ATOM 0 HH22 ARG A 84 17.399 17.692 2.323 1.00 7.08 H new ATOM 1289 N LYS A 85 14.975 13.514 9.120 1.00 4.00 N ATOM 1290 CA LYS A 85 14.108 14.026 10.177 1.00 4.93 C ATOM 1291 C LYS A 85 12.685 14.222 9.669 1.00 5.06 C ATOM 1292 O LYS A 85 11.978 15.132 10.104 1.00 5.81 O ATOM 1293 CB LYS A 85 14.661 15.342 10.730 1.00 5.72 C ATOM 1294 CG LYS A 85 16.035 15.204 11.367 1.00 6.56 C ATOM 1295 CD LYS A 85 16.006 14.262 12.561 1.00 7.22 C ATOM 1296 CE LYS A 85 17.386 14.098 13.178 1.00 8.23 C ATOM 1297 NZ LYS A 85 18.362 13.518 12.214 1.00 8.70 N ATOM 0 H LYS A 85 15.415 12.620 9.336 1.00 4.00 H new ATOM 0 HA LYS A 85 14.084 13.290 10.981 1.00 4.93 H new ATOM 0 HB2 LYS A 85 14.716 16.072 9.922 1.00 5.72 H new ATOM 0 HB3 LYS A 85 13.965 15.737 11.470 1.00 5.72 H new ATOM 0 HG2 LYS A 85 16.744 14.833 10.627 1.00 6.56 H new ATOM 0 HG3 LYS A 85 16.390 16.184 11.685 1.00 6.56 H new ATOM 0 HD2 LYS A 85 15.315 14.646 13.311 1.00 7.22 H new ATOM 0 HD3 LYS A 85 15.629 13.288 12.248 1.00 7.22 H new ATOM 0 HE2 LYS A 85 17.747 15.067 13.521 1.00 8.23 H new ATOM 0 HE3 LYS A 85 17.317 13.455 14.055 1.00 8.23 H new ATOM 0 HZ1 LYS A 85 19.218 13.219 12.724 1.00 8.70 H new ATOM 0 HZ2 LYS A 85 17.936 12.696 11.741 1.00 8.70 H new ATOM 0 HZ3 LYS A 85 18.615 14.234 11.503 1.00 8.70 H new ATOM 1311 N ALA A 86 12.266 13.356 8.751 1.00 4.58 N ATOM 1312 CA ALA A 86 10.925 13.426 8.188 1.00 4.96 C ATOM 1313 C ALA A 86 9.958 12.563 8.991 1.00 4.23 C ATOM 1314 O ALA A 86 8.834 12.974 9.281 1.00 4.67 O ATOM 1315 CB ALA A 86 10.939 12.991 6.730 1.00 5.68 C ATOM 0 H ALA A 86 12.838 12.597 8.382 1.00 4.58 H new ATOM 0 HA ALA A 86 10.585 14.460 8.240 1.00 4.96 H new ATOM 0 HB1 ALA A 86 9.929 13.049 6.323 1.00 5.68 H new ATOM 0 HB2 ALA A 86 11.598 13.647 6.161 1.00 5.68 H new ATOM 0 HB3 ALA A 86 11.300 11.965 6.660 1.00 5.68 H new ATOM 1321 N GLU A 87 10.409 11.364 9.350 1.00 3.27 N ATOM 1322 CA GLU A 87 9.589 10.438 10.126 1.00 2.78 C ATOM 1323 C GLU A 87 9.762 10.686 11.621 1.00 2.78 C ATOM 1324 O GLU A 87 8.813 10.540 12.392 1.00 3.47 O ATOM 1325 CB GLU A 87 9.957 8.990 9.790 1.00 2.42 C ATOM 1326 CG GLU A 87 9.154 7.961 10.569 1.00 3.19 C ATOM 1327 CD GLU A 87 9.541 6.536 10.226 1.00 3.92 C ATOM 1328 OE1 GLU A 87 9.410 6.153 9.043 1.00 4.37 O ATOM 1329 OE2 GLU A 87 9.976 5.802 11.137 1.00 4.46 O ATOM 0 H GLU A 87 11.337 11.011 9.116 1.00 3.27 H new ATOM 0 HA GLU A 87 8.545 10.608 9.864 1.00 2.78 H new ATOM 0 HB2 GLU A 87 9.807 8.824 8.723 1.00 2.42 H new ATOM 0 HB3 GLU A 87 11.018 8.838 9.990 1.00 2.42 H new ATOM 0 HG2 GLU A 87 9.299 8.126 11.637 1.00 3.19 H new ATOM 0 HG3 GLU A 87 8.093 8.104 10.365 1.00 3.19 H new ATOM 1336 N ARG A 88 10.982 11.064 12.014 1.00 2.49 N ATOM 1337 CA ARG A 88 11.312 11.344 13.414 1.00 2.70 C ATOM 1338 C ARG A 88 10.634 10.356 14.365 1.00 2.60 C ATOM 1339 O ARG A 88 10.379 9.207 14.001 1.00 3.18 O ATOM 1340 CB ARG A 88 10.938 12.789 13.776 1.00 3.45 C ATOM 1341 CG ARG A 88 9.458 13.106 13.631 1.00 4.14 C ATOM 1342 CD ARG A 88 9.185 14.585 13.856 1.00 4.97 C ATOM 1343 NE ARG A 88 7.769 14.913 13.698 1.00 5.51 N ATOM 1344 CZ ARG A 88 7.280 16.147 13.795 1.00 6.30 C ATOM 1345 NH1 ARG A 88 8.089 17.166 14.052 1.00 6.63 N ATOM 1346 NH2 ARG A 88 5.982 16.362 13.633 1.00 7.05 N ATOM 0 H ARG A 88 11.766 11.184 11.373 1.00 2.49 H new ATOM 0 HA ARG A 88 12.389 11.221 13.530 1.00 2.70 H new ATOM 0 HB2 ARG A 88 11.240 12.984 14.805 1.00 3.45 H new ATOM 0 HB3 ARG A 88 11.507 13.469 13.142 1.00 3.45 H new ATOM 0 HG2 ARG A 88 9.118 12.819 12.636 1.00 4.14 H new ATOM 0 HG3 ARG A 88 8.886 12.515 14.346 1.00 4.14 H new ATOM 0 HD2 ARG A 88 9.512 14.865 14.857 1.00 4.97 H new ATOM 0 HD3 ARG A 88 9.774 15.173 13.152 1.00 4.97 H new ATOM 0 HE ARG A 88 7.118 14.152 13.502 1.00 5.51 H new ATOM 0 HH11 ARG A 88 9.089 17.005 14.176 1.00 6.63 H new ATOM 0 HH12 ARG A 88 7.712 18.111 14.126 1.00 6.63 H new ATOM 0 HH21 ARG A 88 5.357 15.581 13.434 1.00 7.05 H new ATOM 0 HH22 ARG A 88 5.609 17.308 13.708 1.00 7.05 H new ATOM 1360 N TRP A 89 10.352 10.803 15.587 1.00 2.49 N ATOM 1361 CA TRP A 89 9.712 9.951 16.582 1.00 2.93 C ATOM 1362 C TRP A 89 8.209 10.208 16.630 1.00 2.93 C ATOM 1363 O TRP A 89 7.743 11.089 17.353 1.00 3.71 O ATOM 1364 CB TRP A 89 10.328 10.193 17.963 1.00 3.69 C ATOM 1365 CG TRP A 89 9.790 9.284 19.027 1.00 4.09 C ATOM 1366 CD1 TRP A 89 9.641 7.928 18.950 1.00 4.50 C ATOM 1367 CD2 TRP A 89 9.330 9.665 20.329 1.00 4.70 C ATOM 1368 NE1 TRP A 89 9.115 7.445 20.124 1.00 5.25 N ATOM 1369 CE2 TRP A 89 8.916 8.491 20.987 1.00 5.32 C ATOM 1370 CE3 TRP A 89 9.229 10.886 21.003 1.00 5.16 C ATOM 1371 CZ2 TRP A 89 8.409 8.503 22.284 1.00 6.18 C ATOM 1372 CZ3 TRP A 89 8.725 10.896 22.291 1.00 6.02 C ATOM 1373 CH2 TRP A 89 8.322 9.712 22.919 1.00 6.44 C ATOM 0 H TRP A 89 10.557 11.749 15.910 1.00 2.49 H new ATOM 0 HA TRP A 89 9.876 8.912 16.296 1.00 2.93 H new ATOM 0 HB2 TRP A 89 11.408 10.063 17.898 1.00 3.69 H new ATOM 0 HB3 TRP A 89 10.149 11.228 18.256 1.00 3.69 H new ATOM 0 HD1 TRP A 89 9.899 7.324 18.092 1.00 4.50 H new ATOM 0 HE1 TRP A 89 8.906 6.466 20.321 1.00 5.25 H new ATOM 0 HE3 TRP A 89 9.539 11.804 20.527 1.00 5.16 H new ATOM 0 HZ2 TRP A 89 8.096 7.591 22.771 1.00 6.18 H new ATOM 0 HZ3 TRP A 89 8.641 11.833 22.821 1.00 6.02 H new ATOM 0 HH2 TRP A 89 7.934 9.753 23.926 1.00 6.44 H new ATOM 1384 N GLY A 90 7.454 9.433 15.854 1.00 2.39 N ATOM 1385 CA GLY A 90 6.010 9.598 15.824 1.00 2.51 C ATOM 1386 C GLY A 90 5.350 8.776 14.728 1.00 2.11 C ATOM 1387 O GLY A 90 5.552 7.564 14.656 1.00 2.15 O ATOM 0 H GLY A 90 7.815 8.696 15.248 1.00 2.39 H new ATOM 0 HA2 GLY A 90 5.595 9.309 16.790 1.00 2.51 H new ATOM 0 HA3 GLY A 90 5.771 10.651 15.677 1.00 2.51 H new ATOM 1391 N PRO A 91 4.544 9.413 13.855 1.00 1.87 N ATOM 1392 CA PRO A 91 3.854 8.719 12.763 1.00 1.71 C ATOM 1393 C PRO A 91 4.795 8.345 11.623 1.00 1.71 C ATOM 1394 O PRO A 91 5.828 8.986 11.423 1.00 2.14 O ATOM 1395 CB PRO A 91 2.829 9.749 12.287 1.00 1.86 C ATOM 1396 CG PRO A 91 3.447 11.066 12.606 1.00 2.00 C ATOM 1397 CD PRO A 91 4.242 10.859 13.867 1.00 1.98 C ATOM 0 HA PRO A 91 3.417 7.776 13.092 1.00 1.71 H new ATOM 0 HB2 PRO A 91 2.634 9.650 11.219 1.00 1.86 H new ATOM 0 HB3 PRO A 91 1.874 9.624 12.798 1.00 1.86 H new ATOM 0 HG2 PRO A 91 4.088 11.403 11.792 1.00 2.00 H new ATOM 0 HG3 PRO A 91 2.683 11.831 12.748 1.00 2.00 H new ATOM 0 HD2 PRO A 91 5.152 11.458 13.870 1.00 1.98 H new ATOM 0 HD3 PRO A 91 3.671 11.142 14.752 1.00 1.98 H new ATOM 1405 N ARG A 92 4.425 7.313 10.869 1.00 2.00 N ATOM 1406 CA ARG A 92 5.233 6.865 9.740 1.00 2.09 C ATOM 1407 C ARG A 92 5.192 7.897 8.619 1.00 1.39 C ATOM 1408 O ARG A 92 4.699 9.009 8.812 1.00 1.88 O ATOM 1409 CB ARG A 92 4.733 5.511 9.230 1.00 3.24 C ATOM 1410 CG ARG A 92 4.738 4.420 10.291 1.00 4.14 C ATOM 1411 CD ARG A 92 6.142 4.142 10.808 1.00 4.91 C ATOM 1412 NE ARG A 92 6.145 3.144 11.875 1.00 5.90 N ATOM 1413 CZ ARG A 92 7.247 2.707 12.476 1.00 6.64 C ATOM 1414 NH1 ARG A 92 8.434 3.173 12.109 1.00 6.67 N ATOM 1415 NH2 ARG A 92 7.165 1.804 13.442 1.00 7.60 N ATOM 0 H ARG A 92 3.573 6.773 11.019 1.00 2.00 H new ATOM 0 HA ARG A 92 6.264 6.752 10.075 1.00 2.09 H new ATOM 0 HB2 ARG A 92 3.719 5.628 8.847 1.00 3.24 H new ATOM 0 HB3 ARG A 92 5.356 5.195 8.393 1.00 3.24 H new ATOM 0 HG2 ARG A 92 4.097 4.717 11.121 1.00 4.14 H new ATOM 0 HG3 ARG A 92 4.316 3.505 9.874 1.00 4.14 H new ATOM 0 HD2 ARG A 92 6.769 3.796 9.986 1.00 4.91 H new ATOM 0 HD3 ARG A 92 6.583 5.068 11.177 1.00 4.91 H new ATOM 0 HE ARG A 92 5.249 2.760 12.176 1.00 5.90 H new ATOM 0 HH11 ARG A 92 8.501 3.867 11.365 1.00 6.67 H new ATOM 0 HH12 ARG A 92 9.279 2.837 12.571 1.00 6.67 H new ATOM 0 HH21 ARG A 92 6.255 1.442 13.726 1.00 7.60 H new ATOM 0 HH22 ARG A 92 8.012 1.470 13.902 1.00 7.60 H new ATOM 1429 N THR A 93 5.711 7.536 7.449 1.00 1.14 N ATOM 1430 CA THR A 93 5.722 8.448 6.318 1.00 1.33 C ATOM 1431 C THR A 93 5.494 7.693 5.020 1.00 1.11 C ATOM 1432 O THR A 93 5.115 8.279 4.012 1.00 1.61 O ATOM 1433 CB THR A 93 7.057 9.193 6.250 1.00 1.94 C ATOM 1434 OG1 THR A 93 8.125 8.286 6.042 1.00 2.57 O ATOM 1435 CG2 THR A 93 7.371 9.985 7.499 1.00 2.58 C ATOM 0 H THR A 93 6.126 6.623 7.263 1.00 1.14 H new ATOM 0 HA THR A 93 4.915 9.168 6.454 1.00 1.33 H new ATOM 0 HB THR A 93 6.954 9.888 5.416 1.00 1.94 H new ATOM 0 HG1 THR A 93 8.970 8.780 5.999 1.00 2.57 H new ATOM 0 HG21 THR A 93 8.331 10.487 7.380 1.00 2.58 H new ATOM 0 HG22 THR A 93 6.591 10.728 7.664 1.00 2.58 H new ATOM 0 HG23 THR A 93 7.417 9.312 8.355 1.00 2.58 H new ATOM 1443 N LEU A 94 5.746 6.393 5.035 1.00 0.80 N ATOM 1444 CA LEU A 94 5.580 5.601 3.830 1.00 0.54 C ATOM 1445 C LEU A 94 5.517 4.110 4.143 1.00 0.52 C ATOM 1446 O LEU A 94 6.369 3.576 4.854 1.00 0.65 O ATOM 1447 CB LEU A 94 6.748 5.901 2.896 1.00 0.48 C ATOM 1448 CG LEU A 94 6.554 5.515 1.435 1.00 0.52 C ATOM 1449 CD1 LEU A 94 5.333 6.211 0.851 1.00 1.39 C ATOM 1450 CD2 LEU A 94 7.802 5.869 0.644 1.00 1.37 C ATOM 0 H LEU A 94 6.061 5.873 5.854 1.00 0.80 H new ATOM 0 HA LEU A 94 4.636 5.866 3.354 1.00 0.54 H new ATOM 0 HB2 LEU A 94 6.960 6.969 2.943 1.00 0.48 H new ATOM 0 HB3 LEU A 94 7.630 5.384 3.273 1.00 0.48 H new ATOM 0 HG LEU A 94 6.387 4.440 1.373 1.00 0.52 H new ATOM 0 HD11 LEU A 94 5.213 5.921 -0.193 1.00 1.39 H new ATOM 0 HD12 LEU A 94 4.445 5.920 1.412 1.00 1.39 H new ATOM 0 HD13 LEU A 94 5.465 7.291 0.915 1.00 1.39 H new ATOM 0 HD21 LEU A 94 7.661 5.592 -0.401 1.00 1.37 H new ATOM 0 HD22 LEU A 94 7.985 6.941 0.714 1.00 1.37 H new ATOM 0 HD23 LEU A 94 8.656 5.328 1.051 1.00 1.37 H new ATOM 1462 N ASP A 95 4.499 3.443 3.604 1.00 0.49 N ATOM 1463 CA ASP A 95 4.318 2.011 3.822 1.00 0.56 C ATOM 1464 C ASP A 95 3.912 1.316 2.525 1.00 0.48 C ATOM 1465 O ASP A 95 2.891 1.655 1.925 1.00 0.65 O ATOM 1466 CB ASP A 95 3.257 1.773 4.901 1.00 0.87 C ATOM 1467 CG ASP A 95 3.126 0.310 5.277 1.00 1.51 C ATOM 1468 OD1 ASP A 95 3.896 -0.512 4.737 1.00 1.92 O ATOM 1469 OD2 ASP A 95 2.250 -0.016 6.106 1.00 2.19 O ATOM 0 H ASP A 95 3.787 3.872 3.013 1.00 0.49 H new ATOM 0 HA ASP A 95 5.266 1.590 4.157 1.00 0.56 H new ATOM 0 HB2 ASP A 95 3.511 2.351 5.789 1.00 0.87 H new ATOM 0 HB3 ASP A 95 2.294 2.141 4.546 1.00 0.87 H new ATOM 1474 N LEU A 96 4.721 0.350 2.093 1.00 0.48 N ATOM 1475 CA LEU A 96 4.446 -0.385 0.858 1.00 0.63 C ATOM 1476 C LEU A 96 4.287 -1.879 1.119 1.00 0.60 C ATOM 1477 O LEU A 96 5.193 -2.525 1.634 1.00 0.76 O ATOM 1478 CB LEU A 96 5.573 -0.173 -0.161 1.00 0.97 C ATOM 1479 CG LEU A 96 5.781 1.265 -0.642 1.00 0.98 C ATOM 1480 CD1 LEU A 96 4.482 1.844 -1.180 1.00 1.91 C ATOM 1481 CD2 LEU A 96 6.341 2.133 0.476 1.00 2.04 C ATOM 0 H LEU A 96 5.570 0.058 2.578 1.00 0.48 H new ATOM 0 HA LEU A 96 3.510 0.003 0.457 1.00 0.63 H new ATOM 0 HB2 LEU A 96 6.505 -0.526 0.280 1.00 0.97 H new ATOM 0 HB3 LEU A 96 5.373 -0.800 -1.030 1.00 0.97 H new ATOM 0 HG LEU A 96 6.508 1.252 -1.454 1.00 0.98 H new ATOM 0 HD11 LEU A 96 4.651 2.867 -1.517 1.00 1.91 H new ATOM 0 HD12 LEU A 96 4.133 1.239 -2.017 1.00 1.91 H new ATOM 0 HD13 LEU A 96 3.729 1.842 -0.392 1.00 1.91 H new ATOM 0 HD21 LEU A 96 6.481 3.151 0.111 1.00 2.04 H new ATOM 0 HD22 LEU A 96 5.645 2.140 1.314 1.00 2.04 H new ATOM 0 HD23 LEU A 96 7.299 1.730 0.804 1.00 2.04 H new ATOM 1493 N ASP A 97 3.132 -2.426 0.755 1.00 0.55 N ATOM 1494 CA ASP A 97 2.872 -3.852 0.934 1.00 0.62 C ATOM 1495 C ASP A 97 1.889 -4.366 -0.108 1.00 0.56 C ATOM 1496 O ASP A 97 0.810 -3.803 -0.276 1.00 0.70 O ATOM 1497 CB ASP A 97 2.339 -4.135 2.340 1.00 0.79 C ATOM 1498 CG ASP A 97 3.347 -3.808 3.424 1.00 1.45 C ATOM 1499 OD1 ASP A 97 4.439 -4.409 3.418 1.00 2.17 O ATOM 1500 OD2 ASP A 97 3.042 -2.949 4.278 1.00 1.98 O ATOM 0 H ASP A 97 2.362 -1.906 0.335 1.00 0.55 H new ATOM 0 HA ASP A 97 3.818 -4.378 0.805 1.00 0.62 H new ATOM 0 HB2 ASP A 97 1.433 -3.552 2.505 1.00 0.79 H new ATOM 0 HB3 ASP A 97 2.060 -5.186 2.414 1.00 0.79 H new ATOM 1505 N ILE A 98 2.246 -5.453 -0.784 1.00 0.69 N ATOM 1506 CA ILE A 98 1.362 -6.047 -1.777 1.00 0.63 C ATOM 1507 C ILE A 98 0.393 -7.004 -1.104 1.00 0.67 C ATOM 1508 O ILE A 98 0.764 -7.740 -0.188 1.00 0.93 O ATOM 1509 CB ILE A 98 2.136 -6.791 -2.893 1.00 0.74 C ATOM 1510 CG1 ILE A 98 2.532 -5.817 -3.998 1.00 1.91 C ATOM 1511 CG2 ILE A 98 1.317 -7.947 -3.456 1.00 1.40 C ATOM 1512 CD1 ILE A 98 3.212 -6.473 -5.177 1.00 2.73 C ATOM 0 H ILE A 98 3.136 -5.937 -0.663 1.00 0.69 H new ATOM 0 HA ILE A 98 0.816 -5.229 -2.248 1.00 0.63 H new ATOM 0 HB ILE A 98 3.043 -7.212 -2.458 1.00 0.74 H new ATOM 0 HG12 ILE A 98 1.640 -5.298 -4.348 1.00 1.91 H new ATOM 0 HG13 ILE A 98 3.198 -5.061 -3.581 1.00 1.91 H new ATOM 0 HG21 ILE A 98 1.887 -8.450 -4.237 1.00 1.40 H new ATOM 0 HG22 ILE A 98 1.091 -8.655 -2.659 1.00 1.40 H new ATOM 0 HG23 ILE A 98 0.387 -7.564 -3.875 1.00 1.40 H new ATOM 0 HD11 ILE A 98 3.463 -5.716 -5.920 1.00 2.73 H new ATOM 0 HD12 ILE A 98 4.123 -6.968 -4.842 1.00 2.73 H new ATOM 0 HD13 ILE A 98 2.541 -7.209 -5.621 1.00 2.73 H new ATOM 1524 N MET A 99 -0.846 -6.999 -1.570 1.00 0.53 N ATOM 1525 CA MET A 99 -1.863 -7.873 -1.024 1.00 0.63 C ATOM 1526 C MET A 99 -2.243 -8.903 -2.069 1.00 0.63 C ATOM 1527 O MET A 99 -2.903 -9.897 -1.776 1.00 0.87 O ATOM 1528 CB MET A 99 -3.094 -7.069 -0.599 1.00 0.70 C ATOM 1529 CG MET A 99 -2.787 -5.915 0.341 1.00 0.93 C ATOM 1530 SD MET A 99 -1.915 -4.564 -0.474 1.00 1.77 S ATOM 1531 CE MET A 99 -3.107 -4.093 -1.724 1.00 2.48 C ATOM 0 H MET A 99 -1.169 -6.396 -2.327 1.00 0.53 H new ATOM 0 HA MET A 99 -1.468 -8.376 -0.141 1.00 0.63 H new ATOM 0 HB2 MET A 99 -3.584 -6.677 -1.490 1.00 0.70 H new ATOM 0 HB3 MET A 99 -3.803 -7.740 -0.114 1.00 0.70 H new ATOM 0 HG2 MET A 99 -3.719 -5.538 0.763 1.00 0.93 H new ATOM 0 HG3 MET A 99 -2.185 -6.280 1.173 1.00 0.93 H new ATOM 0 HE1 MET A 99 -3.157 -3.006 -1.788 1.00 2.48 H new ATOM 0 HE2 MET A 99 -2.802 -4.499 -2.689 1.00 2.48 H new ATOM 0 HE3 MET A 99 -4.088 -4.487 -1.458 1.00 2.48 H new ATOM 1541 N LEU A 100 -1.815 -8.644 -3.298 1.00 0.51 N ATOM 1542 CA LEU A 100 -2.103 -9.528 -4.412 1.00 0.55 C ATOM 1543 C LEU A 100 -0.940 -9.525 -5.404 1.00 0.54 C ATOM 1544 O LEU A 100 -0.463 -8.465 -5.791 1.00 0.76 O ATOM 1545 CB LEU A 100 -3.394 -9.069 -5.080 1.00 0.75 C ATOM 1546 CG LEU A 100 -4.302 -10.197 -5.529 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -5.751 -9.740 -5.548 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -3.887 -10.700 -6.902 1.00 1.69 C ATOM 0 H LEU A 100 -1.264 -7.822 -3.546 1.00 0.51 H new ATOM 0 HA LEU A 100 -2.229 -10.550 -4.054 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -3.942 -8.432 -4.385 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -3.143 -8.455 -5.945 1.00 0.75 H new ATOM 0 HG LEU A 100 -4.208 -11.017 -4.817 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -6.388 -10.563 -5.873 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -6.047 -9.426 -4.547 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -5.860 -8.903 -6.238 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -4.550 -11.509 -7.209 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -3.952 -9.885 -7.623 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -2.861 -11.067 -6.860 1.00 1.69 H new ATOM 1560 N PHE A 101 -0.471 -10.709 -5.798 1.00 0.46 N ATOM 1561 CA PHE A 101 0.655 -10.804 -6.729 1.00 0.46 C ATOM 1562 C PHE A 101 0.286 -11.556 -8.008 1.00 0.51 C ATOM 1563 O PHE A 101 0.320 -12.781 -8.047 1.00 0.58 O ATOM 1564 CB PHE A 101 1.841 -11.495 -6.055 1.00 0.45 C ATOM 1565 CG PHE A 101 3.083 -11.520 -6.902 1.00 0.51 C ATOM 1566 CD1 PHE A 101 3.661 -10.340 -7.345 1.00 0.56 C ATOM 1567 CD2 PHE A 101 3.676 -12.721 -7.250 1.00 0.58 C ATOM 1568 CE1 PHE A 101 4.804 -10.361 -8.120 1.00 0.65 C ATOM 1569 CE2 PHE A 101 4.819 -12.749 -8.023 1.00 0.68 C ATOM 1570 CZ PHE A 101 5.385 -11.567 -8.459 1.00 0.71 C ATOM 0 H PHE A 101 -0.847 -11.606 -5.492 1.00 0.46 H new ATOM 0 HA PHE A 101 0.927 -9.786 -7.007 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.062 -10.987 -5.116 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.561 -12.518 -5.805 1.00 0.45 H new ATOM 0 HD1 PHE A 101 3.212 -9.394 -7.081 1.00 0.56 H new ATOM 0 HD2 PHE A 101 3.238 -13.649 -6.912 1.00 0.58 H new ATOM 0 HE1 PHE A 101 5.243 -9.435 -8.461 1.00 0.65 H new ATOM 0 HE2 PHE A 101 5.270 -13.694 -8.287 1.00 0.68 H new ATOM 0 HZ PHE A 101 6.280 -11.586 -9.064 1.00 0.71 H new ATOM 1580 N GLY A 102 -0.043 -10.801 -9.051 1.00 0.54 N ATOM 1581 CA GLY A 102 -0.398 -11.383 -10.339 1.00 0.65 C ATOM 1582 C GLY A 102 -1.488 -12.430 -10.245 1.00 0.67 C ATOM 1583 O GLY A 102 -1.614 -13.281 -11.125 1.00 0.99 O ATOM 0 H GLY A 102 -0.071 -9.782 -9.028 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -0.724 -10.589 -11.011 1.00 0.65 H new ATOM 0 HA3 GLY A 102 0.490 -11.832 -10.784 1.00 0.65 H new ATOM 1587 N ASN A 103 -2.263 -12.378 -9.164 1.00 0.58 N ATOM 1588 CA ASN A 103 -3.334 -13.345 -8.941 1.00 0.64 C ATOM 1589 C ASN A 103 -2.715 -14.728 -8.883 1.00 0.71 C ATOM 1590 O ASN A 103 -3.309 -15.731 -9.280 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.384 -13.265 -10.055 1.00 0.78 C ATOM 1592 CG ASN A 103 -5.658 -14.024 -9.725 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -5.744 -14.557 -8.509 1.00 2.12 O flip ATOM 1594 ND2 ASN A 103 -6.562 -14.120 -10.554 1.00 1.38 N flip ATOM 0 H ASN A 103 -2.169 -11.677 -8.429 1.00 0.58 H new ATOM 0 HA ASN A 103 -3.843 -13.125 -8.003 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.629 -12.219 -10.242 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -3.959 -13.663 -10.977 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -6.456 -13.696 -11.476 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -7.418 -14.623 -10.319 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.486 -14.733 -8.398 1.00 0.53 N ATOM 1602 CA GLU A 104 -0.679 -15.925 -8.273 1.00 0.61 C ATOM 1603 C GLU A 104 -0.624 -16.381 -6.821 1.00 0.64 C ATOM 1604 O GLU A 104 -0.315 -15.590 -5.938 1.00 0.84 O ATOM 1605 CB GLU A 104 0.717 -15.582 -8.782 1.00 0.70 C ATOM 1606 CG GLU A 104 1.116 -16.328 -10.037 1.00 1.16 C ATOM 1607 CD GLU A 104 1.534 -17.759 -9.764 1.00 1.28 C ATOM 1608 OE1 GLU A 104 2.505 -17.962 -9.004 1.00 1.87 O ATOM 1609 OE2 GLU A 104 0.889 -18.680 -10.310 1.00 1.79 O ATOM 0 H GLU A 104 -1.015 -13.888 -8.074 1.00 0.53 H new ATOM 0 HA GLU A 104 -1.107 -16.742 -8.854 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.768 -14.511 -8.977 1.00 0.70 H new ATOM 0 HB3 GLU A 104 1.442 -15.798 -7.997 1.00 0.70 H new ATOM 0 HG2 GLU A 104 0.280 -16.326 -10.736 1.00 1.16 H new ATOM 0 HG3 GLU A 104 1.938 -15.801 -10.521 1.00 1.16 H new ATOM 1616 N VAL A 105 -0.914 -17.653 -6.577 1.00 0.62 N ATOM 1617 CA VAL A 105 -0.892 -18.177 -5.216 1.00 0.66 C ATOM 1618 C VAL A 105 0.540 -18.328 -4.755 1.00 0.70 C ATOM 1619 O VAL A 105 1.185 -19.353 -4.980 1.00 0.83 O ATOM 1620 CB VAL A 105 -1.605 -19.534 -5.102 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -1.673 -19.981 -3.649 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -2.996 -19.464 -5.716 1.00 0.95 C ATOM 0 H VAL A 105 -1.164 -18.334 -7.294 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.426 -17.467 -4.585 1.00 0.66 H new ATOM 0 HB VAL A 105 -1.029 -20.274 -5.658 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -2.181 -20.943 -3.588 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -0.663 -20.078 -3.250 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -2.224 -19.242 -3.066 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -3.483 -20.435 -5.625 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -3.587 -18.711 -5.194 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -2.916 -19.196 -6.769 1.00 0.95 H new ATOM 1632 N ILE A 106 1.038 -17.271 -4.137 1.00 0.65 N ATOM 1633 CA ILE A 106 2.404 -17.233 -3.665 1.00 0.72 C ATOM 1634 C ILE A 106 2.515 -16.347 -2.430 1.00 0.77 C ATOM 1635 O ILE A 106 2.538 -15.119 -2.528 1.00 0.84 O ATOM 1636 CB ILE A 106 3.295 -16.704 -4.803 1.00 0.81 C ATOM 1637 CG1 ILE A 106 4.739 -16.503 -4.357 1.00 0.76 C ATOM 1638 CG2 ILE A 106 2.725 -15.408 -5.359 1.00 1.33 C ATOM 1639 CD1 ILE A 106 5.617 -16.013 -5.484 1.00 0.76 C ATOM 0 H ILE A 106 0.507 -16.421 -3.951 1.00 0.65 H new ATOM 0 HA ILE A 106 2.730 -18.233 -3.381 1.00 0.72 H new ATOM 0 HB ILE A 106 3.303 -17.459 -5.589 1.00 0.81 H new ATOM 0 HG12 ILE A 106 4.768 -15.786 -3.537 1.00 0.76 H new ATOM 0 HG13 ILE A 106 5.134 -17.443 -3.973 1.00 0.76 H new ATOM 0 HG21 ILE A 106 3.365 -15.045 -6.163 1.00 1.33 H new ATOM 0 HG22 ILE A 106 1.722 -15.588 -5.746 1.00 1.33 H new ATOM 0 HG23 ILE A 106 2.679 -14.661 -4.566 1.00 1.33 H new ATOM 0 HD11 ILE A 106 6.637 -15.884 -5.121 1.00 0.76 H new ATOM 0 HD12 ILE A 106 5.610 -16.742 -6.294 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.239 -15.059 -5.851 1.00 0.76 H new ATOM 1651 N ASN A 107 2.556 -16.981 -1.261 1.00 0.80 N ATOM 1652 CA ASN A 107 2.632 -16.246 -0.001 1.00 0.91 C ATOM 1653 C ASN A 107 3.905 -16.543 0.778 1.00 0.92 C ATOM 1654 O ASN A 107 4.351 -17.687 0.873 1.00 1.03 O ATOM 1655 CB ASN A 107 1.417 -16.560 0.876 1.00 1.00 C ATOM 1656 CG ASN A 107 0.117 -16.255 0.183 1.00 1.11 C ATOM 1657 OD1 ASN A 107 0.200 -15.497 -0.899 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 -0.949 -16.677 0.630 1.00 1.12 N flip ATOM 0 H ASN A 107 2.538 -17.996 -1.160 1.00 0.80 H new ATOM 0 HA ASN A 107 2.643 -15.188 -0.261 1.00 0.91 H new ATOM 0 HB2 ASN A 107 1.438 -17.613 1.157 1.00 1.00 H new ATOM 0 HB3 ASN A 107 1.479 -15.982 1.798 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -0.956 -17.258 1.468 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -1.825 -16.446 0.162 1.00 1.12 H new ATOM 1665 N THR A 108 4.457 -15.488 1.357 1.00 0.92 N ATOM 1666 CA THR A 108 5.657 -15.575 2.173 1.00 1.01 C ATOM 1667 C THR A 108 5.513 -14.643 3.371 1.00 1.15 C ATOM 1668 O THR A 108 5.352 -15.095 4.505 1.00 1.79 O ATOM 1669 CB THR A 108 6.899 -15.210 1.353 1.00 1.00 C ATOM 1670 OG1 THR A 108 6.770 -13.921 0.783 1.00 1.66 O ATOM 1671 CG2 THR A 108 7.180 -16.185 0.230 1.00 1.26 C ATOM 0 H THR A 108 4.083 -14.543 1.273 1.00 0.92 H new ATOM 0 HA THR A 108 5.780 -16.600 2.523 1.00 1.01 H new ATOM 0 HB THR A 108 7.729 -15.243 2.059 1.00 1.00 H new ATOM 0 HG1 THR A 108 7.575 -13.710 0.266 1.00 1.66 H new ATOM 0 HG21 THR A 108 8.072 -15.869 -0.311 1.00 1.26 H new ATOM 0 HG22 THR A 108 7.340 -17.180 0.644 1.00 1.26 H new ATOM 0 HG23 THR A 108 6.331 -16.208 -0.453 1.00 1.26 H new ATOM 1679 N GLU A 109 5.535 -13.339 3.098 1.00 0.95 N ATOM 1680 CA GLU A 109 5.375 -12.316 4.129 1.00 1.05 C ATOM 1681 C GLU A 109 4.923 -11.011 3.496 1.00 1.06 C ATOM 1682 O GLU A 109 3.774 -10.596 3.651 1.00 1.32 O ATOM 1683 CB GLU A 109 6.679 -12.092 4.906 1.00 1.20 C ATOM 1684 CG GLU A 109 7.087 -13.258 5.793 1.00 1.46 C ATOM 1685 CD GLU A 109 8.372 -12.990 6.552 1.00 2.13 C ATOM 1686 OE1 GLU A 109 9.413 -12.768 5.897 1.00 2.74 O ATOM 1687 OE2 GLU A 109 8.339 -13.002 7.801 1.00 2.57 O ATOM 0 H GLU A 109 5.664 -12.963 2.158 1.00 0.95 H new ATOM 0 HA GLU A 109 4.619 -12.664 4.833 1.00 1.05 H new ATOM 0 HB2 GLU A 109 7.482 -11.893 4.196 1.00 1.20 H new ATOM 0 HB3 GLU A 109 6.571 -11.201 5.524 1.00 1.20 H new ATOM 0 HG2 GLU A 109 6.287 -13.467 6.503 1.00 1.46 H new ATOM 0 HG3 GLU A 109 7.211 -14.151 5.180 1.00 1.46 H new ATOM 1694 N ARG A 110 5.826 -10.382 2.759 1.00 0.93 N ATOM 1695 CA ARG A 110 5.513 -9.141 2.073 1.00 0.97 C ATOM 1696 C ARG A 110 5.038 -9.467 0.668 1.00 0.79 C ATOM 1697 O ARG A 110 4.828 -8.583 -0.160 1.00 0.87 O ATOM 1698 CB ARG A 110 6.733 -8.211 2.050 1.00 1.17 C ATOM 1699 CG ARG A 110 7.958 -8.797 1.362 1.00 1.05 C ATOM 1700 CD ARG A 110 9.223 -8.058 1.773 1.00 1.57 C ATOM 1701 NE ARG A 110 9.481 -8.167 3.207 1.00 2.14 N ATOM 1702 CZ ARG A 110 9.748 -9.314 3.828 1.00 2.68 C ATOM 1703 NH1 ARG A 110 9.806 -10.450 3.143 1.00 2.96 N ATOM 1704 NH2 ARG A 110 9.960 -9.324 5.137 1.00 3.52 N ATOM 0 H ARG A 110 6.781 -10.712 2.622 1.00 0.93 H new ATOM 0 HA ARG A 110 4.720 -8.615 2.604 1.00 0.97 H new ATOM 0 HB2 ARG A 110 6.458 -7.284 1.548 1.00 1.17 H new ATOM 0 HB3 ARG A 110 6.996 -7.952 3.075 1.00 1.17 H new ATOM 0 HG2 ARG A 110 8.051 -9.853 1.616 1.00 1.05 H new ATOM 0 HG3 ARG A 110 7.834 -8.739 0.281 1.00 1.05 H new ATOM 0 HD2 ARG A 110 10.073 -8.459 1.221 1.00 1.57 H new ATOM 0 HD3 ARG A 110 9.133 -7.007 1.500 1.00 1.57 H new ATOM 0 HE ARG A 110 9.455 -7.314 3.765 1.00 2.14 H new ATOM 0 HH11 ARG A 110 9.646 -10.447 2.136 1.00 2.96 H new ATOM 0 HH12 ARG A 110 10.011 -11.326 3.624 1.00 2.96 H new ATOM 0 HH21 ARG A 110 9.918 -8.454 5.667 1.00 3.52 H new ATOM 0 HH22 ARG A 110 10.165 -10.202 5.614 1.00 3.52 H new ATOM 1718 N LEU A 111 4.865 -10.767 0.427 1.00 0.72 N ATOM 1719 CA LEU A 111 4.411 -11.271 -0.860 1.00 0.75 C ATOM 1720 C LEU A 111 3.305 -12.313 -0.685 1.00 0.66 C ATOM 1721 O LEU A 111 3.560 -13.516 -0.698 1.00 0.70 O ATOM 1722 CB LEU A 111 5.587 -11.880 -1.631 1.00 0.95 C ATOM 1723 CG LEU A 111 5.198 -12.720 -2.849 1.00 0.69 C ATOM 1724 CD1 LEU A 111 4.358 -11.905 -3.812 1.00 0.95 C ATOM 1725 CD2 LEU A 111 6.432 -13.255 -3.548 1.00 1.36 C ATOM 0 H LEU A 111 5.037 -11.495 1.120 1.00 0.72 H new ATOM 0 HA LEU A 111 4.004 -10.434 -1.427 1.00 0.75 H new ATOM 0 HB2 LEU A 111 6.243 -11.074 -1.959 1.00 0.95 H new ATOM 0 HB3 LEU A 111 6.165 -12.503 -0.949 1.00 0.95 H new ATOM 0 HG LEU A 111 4.605 -13.566 -2.503 1.00 0.69 H new ATOM 0 HD11 LEU A 111 4.091 -12.519 -4.672 1.00 0.95 H new ATOM 0 HD12 LEU A 111 3.450 -11.570 -3.310 1.00 0.95 H new ATOM 0 HD13 LEU A 111 4.927 -11.038 -4.148 1.00 0.95 H new ATOM 0 HD21 LEU A 111 6.132 -13.849 -4.411 1.00 1.36 H new ATOM 0 HD22 LEU A 111 7.053 -12.422 -3.879 1.00 1.36 H new ATOM 0 HD23 LEU A 111 7.000 -13.879 -2.857 1.00 1.36 H new ATOM 1737 N THR A 112 2.078 -11.838 -0.512 1.00 0.71 N ATOM 1738 CA THR A 112 0.925 -12.715 -0.329 1.00 0.67 C ATOM 1739 C THR A 112 -0.229 -12.310 -1.253 1.00 0.66 C ATOM 1740 O THR A 112 -0.674 -11.162 -1.229 1.00 0.82 O ATOM 1741 CB THR A 112 0.475 -12.661 1.127 1.00 0.74 C ATOM 1742 OG1 THR A 112 -0.725 -13.391 1.314 1.00 0.75 O ATOM 1743 CG2 THR A 112 0.248 -11.249 1.618 1.00 0.83 C ATOM 0 H THR A 112 1.853 -10.843 -0.494 1.00 0.71 H new ATOM 0 HA THR A 112 1.217 -13.733 -0.585 1.00 0.67 H new ATOM 0 HB THR A 112 1.287 -13.104 1.703 1.00 0.74 H new ATOM 0 HG1 THR A 112 -0.620 -14.004 2.071 1.00 0.75 H new ATOM 0 HG21 THR A 112 -0.071 -11.273 2.660 1.00 0.83 H new ATOM 0 HG22 THR A 112 1.175 -10.681 1.535 1.00 0.83 H new ATOM 0 HG23 THR A 112 -0.524 -10.773 1.013 1.00 0.83 H new ATOM 1751 N VAL A 113 -0.704 -13.249 -2.080 1.00 0.60 N ATOM 1752 CA VAL A 113 -1.795 -12.960 -3.014 1.00 0.61 C ATOM 1753 C VAL A 113 -3.182 -12.998 -2.342 1.00 0.64 C ATOM 1754 O VAL A 113 -3.992 -12.107 -2.591 1.00 0.80 O ATOM 1755 CB VAL A 113 -1.759 -13.886 -4.259 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -2.371 -15.249 -3.992 1.00 1.27 C ATOM 1757 CG2 VAL A 113 -2.442 -13.222 -5.439 1.00 1.38 C ATOM 0 H VAL A 113 -0.353 -14.206 -2.121 1.00 0.60 H new ATOM 0 HA VAL A 113 -1.630 -11.937 -3.353 1.00 0.61 H new ATOM 0 HB VAL A 113 -0.708 -14.050 -4.499 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -2.319 -15.855 -4.897 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -1.821 -15.744 -3.192 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -3.413 -15.128 -3.696 1.00 1.27 H new ATOM 0 HG21 VAL A 113 -2.406 -13.887 -6.302 1.00 1.38 H new ATOM 0 HG22 VAL A 113 -3.481 -13.011 -5.186 1.00 1.38 H new ATOM 0 HG23 VAL A 113 -1.930 -12.290 -5.678 1.00 1.38 H new ATOM 1767 N PRO A 114 -3.494 -13.991 -1.463 1.00 0.61 N ATOM 1768 CA PRO A 114 -4.788 -14.045 -0.778 1.00 0.70 C ATOM 1769 C PRO A 114 -4.928 -12.869 0.159 1.00 0.76 C ATOM 1770 O PRO A 114 -5.954 -12.691 0.817 1.00 0.88 O ATOM 1771 CB PRO A 114 -4.732 -15.347 0.022 1.00 0.68 C ATOM 1772 CG PRO A 114 -3.660 -16.128 -0.639 1.00 0.83 C ATOM 1773 CD PRO A 114 -2.648 -15.104 -1.033 1.00 0.63 C ATOM 0 HA PRO A 114 -5.631 -14.008 -1.467 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -4.502 -15.161 1.071 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -5.686 -15.874 -0.006 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -3.234 -16.869 0.037 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -4.038 -16.668 -1.507 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -2.002 -14.827 -0.200 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -2.000 -15.458 -1.835 1.00 0.63 H new ATOM 1781 N HIS A 115 -3.867 -12.069 0.203 1.00 0.82 N ATOM 1782 CA HIS A 115 -3.815 -10.883 1.038 1.00 0.95 C ATOM 1783 C HIS A 115 -3.652 -11.279 2.502 1.00 0.86 C ATOM 1784 O HIS A 115 -4.574 -11.813 3.113 1.00 0.88 O ATOM 1785 CB HIS A 115 -5.080 -10.020 0.877 1.00 1.14 C ATOM 1786 CG HIS A 115 -5.612 -9.878 -0.526 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -6.190 -10.916 -1.230 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -5.677 -8.800 -1.343 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -6.581 -10.481 -2.414 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -6.282 -9.201 -2.506 1.00 3.97 N ATOM 0 H HIS A 115 -3.020 -12.229 -0.342 1.00 0.82 H new ATOM 0 HA HIS A 115 -2.957 -10.292 0.718 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -5.867 -10.445 1.501 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -4.868 -9.024 1.266 1.00 1.14 H new ATOM 0 HD1 HIS A 115 -6.298 -11.871 -0.888 1.00 3.14 H new ATOM 0 HD2 HIS A 115 -5.318 -7.806 -1.119 1.00 2.95 H new ATOM 0 HE1 HIS A 115 -7.064 -11.074 -3.177 1.00 4.09 H new ATOM 1799 N TYR A 116 -2.476 -11.019 3.057 1.00 1.04 N ATOM 1800 CA TYR A 116 -2.205 -11.347 4.456 1.00 1.14 C ATOM 1801 C TYR A 116 -2.357 -10.110 5.337 1.00 1.04 C ATOM 1802 O TYR A 116 -1.666 -9.110 5.139 1.00 1.47 O ATOM 1803 CB TYR A 116 -0.799 -11.932 4.615 1.00 1.62 C ATOM 1804 CG TYR A 116 -0.445 -12.310 6.038 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -1.294 -13.101 6.803 1.00 2.56 C ATOM 1806 CD2 TYR A 116 0.745 -11.879 6.614 1.00 3.06 C ATOM 1807 CE1 TYR A 116 -0.970 -13.451 8.101 1.00 3.50 C ATOM 1808 CE2 TYR A 116 1.076 -12.224 7.911 1.00 4.05 C ATOM 1809 CZ TYR A 116 0.216 -13.008 8.650 1.00 4.18 C ATOM 1810 OH TYR A 116 0.542 -13.353 9.942 1.00 5.29 O ATOM 0 H TYR A 116 -1.696 -10.584 2.565 1.00 1.04 H new ATOM 0 HA TYR A 116 -2.931 -12.096 4.772 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -0.711 -12.816 3.983 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -0.072 -11.206 4.251 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -2.223 -13.448 6.376 1.00 2.56 H new ATOM 0 HD2 TYR A 116 1.422 -11.265 6.039 1.00 3.06 H new ATOM 0 HE1 TYR A 116 -1.641 -14.067 8.681 1.00 3.50 H new ATOM 0 HE2 TYR A 116 2.004 -11.881 8.343 1.00 4.05 H new ATOM 0 HH TYR A 116 1.410 -12.962 10.176 1.00 5.29 H new ATOM 1820 N ASP A 117 -3.276 -10.190 6.303 1.00 0.77 N ATOM 1821 CA ASP A 117 -3.548 -9.090 7.232 1.00 0.80 C ATOM 1822 C ASP A 117 -4.380 -8.000 6.568 1.00 0.72 C ATOM 1823 O ASP A 117 -4.623 -6.947 7.156 1.00 0.82 O ATOM 1824 CB ASP A 117 -2.250 -8.498 7.790 1.00 1.03 C ATOM 1825 CG ASP A 117 -1.459 -9.498 8.610 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -1.934 -10.642 8.772 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -0.366 -9.136 9.098 1.00 2.22 O ATOM 0 H ASP A 117 -3.851 -11.017 6.463 1.00 0.77 H new ATOM 0 HA ASP A 117 -4.121 -9.503 8.062 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -1.633 -8.141 6.965 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -2.486 -7.632 8.409 1.00 1.03 H new ATOM 1832 N MET A 118 -4.827 -8.262 5.344 1.00 0.69 N ATOM 1833 CA MET A 118 -5.647 -7.305 4.608 1.00 0.72 C ATOM 1834 C MET A 118 -6.936 -7.021 5.367 1.00 0.71 C ATOM 1835 O MET A 118 -7.485 -5.921 5.301 1.00 0.73 O ATOM 1836 CB MET A 118 -5.987 -7.848 3.214 1.00 0.83 C ATOM 1837 CG MET A 118 -6.948 -9.032 3.235 1.00 1.15 C ATOM 1838 SD MET A 118 -6.461 -10.342 4.377 1.00 2.40 S ATOM 1839 CE MET A 118 -7.674 -11.601 3.991 1.00 3.10 C ATOM 0 H MET A 118 -4.636 -9.128 4.841 1.00 0.69 H new ATOM 0 HA MET A 118 -5.079 -6.381 4.502 1.00 0.72 H new ATOM 0 HB2 MET A 118 -6.425 -7.047 2.618 1.00 0.83 H new ATOM 0 HB3 MET A 118 -5.065 -8.148 2.716 1.00 0.83 H new ATOM 0 HG2 MET A 118 -7.942 -8.677 3.506 1.00 1.15 H new ATOM 0 HG3 MET A 118 -7.021 -9.447 2.230 1.00 1.15 H new ATOM 0 HE1 MET A 118 -7.192 -12.579 3.977 1.00 3.10 H new ATOM 0 HE2 MET A 118 -8.459 -11.594 4.747 1.00 3.10 H new ATOM 0 HE3 MET A 118 -8.111 -11.398 3.013 1.00 3.10 H new ATOM 1849 N LYS A 119 -7.404 -8.026 6.097 1.00 0.80 N ATOM 1850 CA LYS A 119 -8.622 -7.911 6.887 1.00 0.95 C ATOM 1851 C LYS A 119 -8.414 -6.962 8.054 1.00 0.99 C ATOM 1852 O LYS A 119 -9.283 -6.815 8.914 1.00 1.24 O ATOM 1853 CB LYS A 119 -9.019 -9.285 7.418 1.00 1.15 C ATOM 1854 CG LYS A 119 -7.903 -9.988 8.176 1.00 1.30 C ATOM 1855 CD LYS A 119 -8.375 -11.304 8.776 1.00 1.70 C ATOM 1856 CE LYS A 119 -9.399 -11.083 9.878 1.00 2.06 C ATOM 1857 NZ LYS A 119 -8.847 -10.270 10.997 1.00 2.67 N ATOM 0 H LYS A 119 -6.952 -8.939 6.158 1.00 0.80 H new ATOM 0 HA LYS A 119 -9.414 -7.517 6.250 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -9.882 -9.176 8.075 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -9.331 -9.912 6.583 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -7.066 -10.174 7.503 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -7.535 -9.337 8.969 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -8.810 -11.926 7.994 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -7.520 -11.849 9.177 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -10.275 -10.583 9.464 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -9.733 -12.047 10.261 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -9.460 -10.366 11.831 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -7.890 -10.604 11.230 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -8.805 -9.271 10.712 1.00 2.67 H new ATOM 1871 N ASN A 120 -7.249 -6.338 8.087 1.00 0.90 N ATOM 1872 CA ASN A 120 -6.907 -5.420 9.154 1.00 1.04 C ATOM 1873 C ASN A 120 -6.674 -4.009 8.634 1.00 1.08 C ATOM 1874 O ASN A 120 -6.170 -3.158 9.369 1.00 1.35 O ATOM 1875 CB ASN A 120 -5.651 -5.917 9.867 1.00 1.08 C ATOM 1876 CG ASN A 120 -5.901 -7.170 10.681 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -6.720 -7.175 11.600 1.00 1.77 O ATOM 1878 ND2 ASN A 120 -5.194 -8.244 10.349 1.00 1.84 N ATOM 0 H ASN A 120 -6.522 -6.453 7.381 1.00 0.90 H new ATOM 0 HA ASN A 120 -7.746 -5.384 9.848 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -4.874 -6.116 9.129 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -5.275 -5.131 10.522 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -5.320 -9.116 10.863 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -4.525 -8.197 9.580 1.00 1.84 H new ATOM 1885 N ARG A 121 -7.020 -3.748 7.372 1.00 0.93 N ATOM 1886 CA ARG A 121 -6.802 -2.417 6.820 1.00 1.06 C ATOM 1887 C ARG A 121 -7.457 -2.187 5.454 1.00 0.84 C ATOM 1888 O ARG A 121 -6.852 -2.412 4.401 1.00 0.87 O ATOM 1889 CB ARG A 121 -5.305 -2.147 6.726 1.00 1.31 C ATOM 1890 CG ARG A 121 -4.528 -3.269 6.065 1.00 1.14 C ATOM 1891 CD ARG A 121 -3.039 -2.975 6.051 1.00 1.39 C ATOM 1892 NE ARG A 121 -2.488 -2.844 7.400 1.00 1.56 N ATOM 1893 CZ ARG A 121 -2.458 -3.833 8.289 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -2.923 -5.032 7.972 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -1.955 -3.620 9.499 1.00 2.04 N ATOM 0 H ARG A 121 -7.440 -4.421 6.731 1.00 0.93 H new ATOM 0 HA ARG A 121 -7.285 -1.719 7.504 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -5.145 -1.226 6.166 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -4.910 -1.984 7.729 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -4.711 -4.203 6.596 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -4.883 -3.408 5.044 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -2.518 -3.774 5.524 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -2.857 -2.055 5.495 1.00 1.39 H new ATOM 0 HE ARG A 121 -2.104 -1.940 7.675 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -3.307 -5.201 7.042 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -2.897 -5.787 8.658 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -1.592 -2.699 9.746 1.00 2.04 H new ATOM 0 HH22 ARG A 121 -1.931 -4.377 10.182 1.00 2.04 H new ATOM 1909 N GLY A 122 -8.673 -1.657 5.480 1.00 0.73 N ATOM 1910 CA GLY A 122 -9.360 -1.320 4.249 1.00 0.60 C ATOM 1911 C GLY A 122 -8.696 -0.133 3.589 1.00 0.57 C ATOM 1912 O GLY A 122 -9.190 0.396 2.596 1.00 0.59 O ATOM 0 H GLY A 122 -9.196 -1.454 6.332 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -9.350 -2.175 3.572 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -10.405 -1.092 4.458 1.00 0.60 H new ATOM 1916 N PHE A 123 -7.558 0.288 4.153 1.00 0.65 N ATOM 1917 CA PHE A 123 -6.823 1.420 3.613 1.00 0.72 C ATOM 1918 C PHE A 123 -5.845 0.958 2.537 1.00 0.80 C ATOM 1919 O PHE A 123 -4.970 1.708 2.100 1.00 1.14 O ATOM 1920 CB PHE A 123 -6.134 2.246 4.713 1.00 0.84 C ATOM 1921 CG PHE A 123 -5.055 1.546 5.501 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -3.964 0.995 4.847 1.00 1.47 C ATOM 1923 CD2 PHE A 123 -5.144 1.404 6.878 1.00 1.10 C ATOM 1924 CE1 PHE A 123 -2.982 0.320 5.549 1.00 2.04 C ATOM 1925 CE2 PHE A 123 -4.163 0.735 7.584 1.00 1.49 C ATOM 1926 CZ PHE A 123 -3.045 0.322 6.985 1.00 1.98 C ATOM 0 H PHE A 123 -7.135 -0.139 4.977 1.00 0.65 H new ATOM 0 HA PHE A 123 -7.542 2.091 3.143 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -5.700 3.133 4.252 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -6.898 2.590 5.410 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -3.880 1.094 3.775 1.00 1.47 H new ATOM 0 HD2 PHE A 123 -5.990 1.821 7.404 1.00 1.10 H new ATOM 0 HE1 PHE A 123 -2.187 -0.196 5.031 1.00 2.04 H new ATOM 0 HE2 PHE A 123 -4.303 0.543 8.638 1.00 1.49 H new ATOM 0 HZ PHE A 123 -2.199 -0.006 7.571 1.00 1.98 H new ATOM 1936 N MET A 124 -6.048 -0.270 2.084 1.00 0.62 N ATOM 1937 CA MET A 124 -5.251 -0.850 1.017 1.00 0.68 C ATOM 1938 C MET A 124 -6.130 -1.795 0.207 1.00 0.64 C ATOM 1939 O MET A 124 -5.897 -2.018 -0.983 1.00 0.68 O ATOM 1940 CB MET A 124 -4.005 -1.568 1.545 1.00 0.80 C ATOM 1941 CG MET A 124 -4.276 -2.590 2.628 1.00 1.00 C ATOM 1942 SD MET A 124 -2.885 -3.713 2.875 1.00 1.91 S ATOM 1943 CE MET A 124 -1.544 -2.553 3.134 1.00 2.23 C ATOM 0 H MET A 124 -6.771 -0.892 2.447 1.00 0.62 H new ATOM 0 HA MET A 124 -4.887 -0.045 0.378 1.00 0.68 H new ATOM 0 HB2 MET A 124 -3.508 -2.065 0.712 1.00 0.80 H new ATOM 0 HB3 MET A 124 -3.310 -0.823 1.933 1.00 0.80 H new ATOM 0 HG2 MET A 124 -4.495 -2.075 3.564 1.00 1.00 H new ATOM 0 HG3 MET A 124 -5.163 -3.167 2.366 1.00 1.00 H new ATOM 0 HE1 MET A 124 -0.834 -2.627 2.310 1.00 2.23 H new ATOM 0 HE2 MET A 124 -1.943 -1.540 3.179 1.00 2.23 H new ATOM 0 HE3 MET A 124 -1.038 -2.785 4.071 1.00 2.23 H new ATOM 1953 N LEU A 125 -7.172 -2.317 0.859 1.00 0.61 N ATOM 1954 CA LEU A 125 -8.123 -3.209 0.209 1.00 0.62 C ATOM 1955 C LEU A 125 -9.134 -2.406 -0.614 1.00 0.56 C ATOM 1956 O LEU A 125 -9.430 -2.736 -1.761 1.00 0.63 O ATOM 1957 CB LEU A 125 -8.854 -4.054 1.256 1.00 0.67 C ATOM 1958 CG LEU A 125 -8.038 -5.158 1.935 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -7.627 -6.216 0.929 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -6.814 -4.592 2.626 1.00 1.16 C ATOM 0 H LEU A 125 -7.375 -2.133 1.842 1.00 0.61 H new ATOM 0 HA LEU A 125 -7.574 -3.871 -0.461 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -9.233 -3.386 2.029 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -9.720 -4.514 0.779 1.00 0.67 H new ATOM 0 HG LEU A 125 -8.673 -5.619 2.691 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -7.048 -6.991 1.432 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -8.517 -6.660 0.483 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -7.020 -5.759 0.148 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -6.256 -5.401 3.098 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -6.180 -4.094 1.893 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -7.124 -3.874 3.385 1.00 1.16 H new ATOM 1972 N TRP A 126 -9.657 -1.346 -0.011 1.00 0.48 N ATOM 1973 CA TRP A 126 -10.636 -0.479 -0.663 1.00 0.48 C ATOM 1974 C TRP A 126 -10.016 0.280 -1.839 1.00 0.47 C ATOM 1975 O TRP A 126 -10.554 0.253 -2.944 1.00 0.48 O ATOM 1976 CB TRP A 126 -11.239 0.477 0.375 1.00 0.52 C ATOM 1977 CG TRP A 126 -11.770 1.761 -0.177 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -11.466 3.004 0.280 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -12.693 1.939 -1.258 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -12.130 3.954 -0.454 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -12.894 3.326 -1.405 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -13.367 1.066 -2.118 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -13.738 3.858 -2.376 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -14.206 1.596 -3.080 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -14.385 2.980 -3.203 1.00 3.03 C ATOM 0 H TRP A 126 -9.418 -1.062 0.939 1.00 0.48 H new ATOM 0 HA TRP A 126 -11.434 -1.094 -1.078 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -12.047 -0.039 0.895 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -10.477 0.707 1.120 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -10.798 3.214 1.102 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -12.066 4.963 -0.315 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -13.234 -0.002 -2.032 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -13.877 4.925 -2.473 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -14.733 0.931 -3.749 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -15.047 3.362 -3.966 1.00 3.03 H new ATOM 1996 N PRO A 127 -8.869 0.957 -1.640 1.00 0.50 N ATOM 1997 CA PRO A 127 -8.203 1.687 -2.721 1.00 0.54 C ATOM 1998 C PRO A 127 -7.936 0.781 -3.915 1.00 0.53 C ATOM 1999 O PRO A 127 -8.250 1.125 -5.055 1.00 0.56 O ATOM 2000 CB PRO A 127 -6.878 2.142 -2.101 1.00 0.61 C ATOM 2001 CG PRO A 127 -6.731 1.347 -0.853 1.00 0.61 C ATOM 2002 CD PRO A 127 -8.125 1.058 -0.381 1.00 0.55 C ATOM 0 HA PRO A 127 -8.810 2.513 -3.093 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -6.045 1.964 -2.781 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -6.891 3.211 -1.887 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -6.183 0.424 -1.041 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -6.171 1.902 -0.100 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -8.175 0.134 0.196 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -8.511 1.853 0.256 1.00 0.55 H new ATOM 2010 N LEU A 128 -7.367 -0.389 -3.637 1.00 0.53 N ATOM 2011 CA LEU A 128 -7.066 -1.362 -4.677 1.00 0.56 C ATOM 2012 C LEU A 128 -8.349 -1.819 -5.349 1.00 0.54 C ATOM 2013 O LEU A 128 -8.333 -2.317 -6.475 1.00 0.61 O ATOM 2014 CB LEU A 128 -6.337 -2.568 -4.080 1.00 0.63 C ATOM 2015 CG LEU A 128 -5.895 -3.630 -5.093 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -4.997 -3.010 -6.151 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -5.175 -4.767 -4.385 1.00 1.55 C ATOM 0 H LEU A 128 -7.105 -0.685 -2.696 1.00 0.53 H new ATOM 0 HA LEU A 128 -6.421 -0.891 -5.419 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -5.457 -2.212 -3.544 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -6.989 -3.039 -3.345 1.00 0.63 H new ATOM 0 HG LEU A 128 -6.781 -4.033 -5.584 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -4.691 -3.776 -6.863 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -5.541 -2.224 -6.675 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -4.114 -2.584 -5.675 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -4.867 -5.514 -5.117 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -4.296 -4.377 -3.872 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -5.846 -5.226 -3.658 1.00 1.55 H new ATOM 2029 N PHE A 129 -9.465 -1.638 -4.649 1.00 0.50 N ATOM 2030 CA PHE A 129 -10.760 -2.025 -5.180 1.00 0.51 C ATOM 2031 C PHE A 129 -11.165 -1.069 -6.297 1.00 0.53 C ATOM 2032 O PHE A 129 -11.795 -1.466 -7.273 1.00 0.70 O ATOM 2033 CB PHE A 129 -11.822 -2.025 -4.077 1.00 0.49 C ATOM 2034 CG PHE A 129 -13.087 -2.730 -4.471 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -14.057 -2.075 -5.215 1.00 0.62 C ATOM 2036 CD2 PHE A 129 -13.306 -4.049 -4.101 1.00 0.60 C ATOM 2037 CE1 PHE A 129 -15.219 -2.722 -5.588 1.00 0.73 C ATOM 2038 CE2 PHE A 129 -14.468 -4.696 -4.469 1.00 0.71 C ATOM 2039 CZ PHE A 129 -15.423 -4.035 -5.215 1.00 0.75 C ATOM 0 H PHE A 129 -9.495 -1.227 -3.716 1.00 0.50 H new ATOM 0 HA PHE A 129 -10.684 -3.036 -5.580 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -11.411 -2.501 -3.187 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -12.057 -0.995 -3.808 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -13.902 -1.047 -5.506 1.00 0.62 H new ATOM 0 HD2 PHE A 129 -12.561 -4.573 -3.521 1.00 0.60 H new ATOM 0 HE1 PHE A 129 -15.966 -2.202 -6.170 1.00 0.73 H new ATOM 0 HE2 PHE A 129 -14.631 -5.722 -4.173 1.00 0.71 H new ATOM 0 HZ PHE A 129 -16.329 -4.545 -5.507 1.00 0.75 H new ATOM 2049 N GLU A 130 -10.785 0.195 -6.144 1.00 0.43 N ATOM 2050 CA GLU A 130 -11.098 1.218 -7.138 1.00 0.49 C ATOM 2051 C GLU A 130 -10.343 0.964 -8.440 1.00 0.53 C ATOM 2052 O GLU A 130 -10.902 1.103 -9.529 1.00 0.68 O ATOM 2053 CB GLU A 130 -10.751 2.607 -6.596 1.00 0.54 C ATOM 2054 CG GLU A 130 -11.012 3.732 -7.586 1.00 0.99 C ATOM 2055 CD GLU A 130 -12.464 3.809 -8.015 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -13.332 4.004 -7.138 1.00 2.40 O ATOM 2057 OE2 GLU A 130 -12.732 3.677 -9.227 1.00 2.04 O ATOM 0 H GLU A 130 -10.259 0.537 -5.340 1.00 0.43 H new ATOM 0 HA GLU A 130 -12.167 1.172 -7.346 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -11.331 2.789 -5.691 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -9.699 2.623 -6.310 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -10.719 4.681 -7.137 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -10.385 3.589 -8.466 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.070 0.596 -8.322 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.241 0.328 -9.491 1.00 0.56 C ATOM 2066 C ILE A 131 -8.375 -1.120 -9.948 1.00 0.52 C ATOM 2067 O ILE A 131 -7.942 -1.475 -11.044 1.00 0.64 O ATOM 2068 CB ILE A 131 -6.756 0.636 -9.216 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -6.226 -0.247 -8.082 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -6.580 2.109 -8.878 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -4.749 -0.054 -7.809 1.00 1.41 C ATOM 0 H ILE A 131 -8.591 0.477 -7.429 1.00 0.48 H new ATOM 0 HA ILE A 131 -8.598 0.987 -10.283 1.00 0.56 H new ATOM 0 HB ILE A 131 -6.181 0.416 -10.115 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -6.787 -0.033 -7.172 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -6.408 -1.293 -8.330 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -5.527 2.315 -8.686 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -6.922 2.718 -9.715 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -7.165 2.351 -7.991 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -4.441 -0.710 -6.995 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -4.179 -0.296 -8.706 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -4.563 0.983 -7.530 1.00 1.41 H new ATOM 2083 N ALA A 132 -8.972 -1.957 -9.103 1.00 0.53 N ATOM 2084 CA ALA A 132 -9.152 -3.366 -9.432 1.00 0.58 C ATOM 2085 C ALA A 132 -10.320 -3.980 -8.659 1.00 0.56 C ATOM 2086 O ALA A 132 -10.117 -4.748 -7.718 1.00 0.63 O ATOM 2087 CB ALA A 132 -7.867 -4.129 -9.153 1.00 0.73 C ATOM 0 H ALA A 132 -9.337 -1.685 -8.190 1.00 0.53 H new ATOM 0 HA ALA A 132 -9.390 -3.439 -10.493 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -8.008 -5.181 -9.401 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -7.061 -3.718 -9.760 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -7.610 -4.036 -8.098 1.00 0.73 H new ATOM 2093 N PRO A 133 -11.566 -3.645 -9.046 1.00 0.63 N ATOM 2094 CA PRO A 133 -12.768 -4.158 -8.394 1.00 0.66 C ATOM 2095 C PRO A 133 -13.283 -5.440 -9.048 1.00 0.88 C ATOM 2096 O PRO A 133 -14.492 -5.639 -9.165 1.00 1.24 O ATOM 2097 CB PRO A 133 -13.760 -3.025 -8.624 1.00 0.79 C ATOM 2098 CG PRO A 133 -13.385 -2.458 -9.956 1.00 0.82 C ATOM 2099 CD PRO A 133 -11.909 -2.733 -10.153 1.00 0.81 C ATOM 0 HA PRO A 133 -12.600 -4.419 -7.349 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -14.787 -3.391 -8.624 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -13.690 -2.272 -7.839 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -13.973 -2.918 -10.750 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -13.586 -1.387 -9.990 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -11.714 -3.191 -11.123 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -11.323 -1.815 -10.110 1.00 0.81 H new ATOM 2107 N GLU A 134 -12.366 -6.303 -9.484 1.00 0.90 N ATOM 2108 CA GLU A 134 -12.756 -7.552 -10.135 1.00 1.12 C ATOM 2109 C GLU A 134 -11.842 -8.712 -9.742 1.00 1.08 C ATOM 2110 O GLU A 134 -12.018 -9.830 -10.223 1.00 1.25 O ATOM 2111 CB GLU A 134 -12.747 -7.385 -11.657 1.00 1.34 C ATOM 2112 CG GLU A 134 -13.757 -6.369 -12.169 1.00 1.87 C ATOM 2113 CD GLU A 134 -13.737 -6.239 -13.680 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -12.679 -5.865 -14.230 1.00 2.50 O ATOM 2115 OE2 GLU A 134 -14.780 -6.508 -14.313 1.00 2.61 O ATOM 0 H GLU A 134 -11.359 -6.163 -9.400 1.00 0.90 H new ATOM 0 HA GLU A 134 -13.765 -7.789 -9.797 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -11.749 -7.083 -11.974 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -12.950 -8.351 -12.120 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -14.756 -6.661 -11.846 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -13.548 -5.397 -11.721 1.00 1.87 H new ATOM 2122 N LEU A 135 -10.872 -8.445 -8.871 1.00 0.99 N ATOM 2123 CA LEU A 135 -9.945 -9.482 -8.429 1.00 1.03 C ATOM 2124 C LEU A 135 -10.685 -10.666 -7.817 1.00 1.50 C ATOM 2125 O LEU A 135 -11.049 -11.604 -8.525 1.00 2.32 O ATOM 2126 CB LEU A 135 -8.943 -8.902 -7.432 1.00 1.00 C ATOM 2127 CG LEU A 135 -7.613 -8.473 -8.044 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -6.874 -9.682 -8.593 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -7.840 -7.444 -9.140 1.00 2.26 C ATOM 0 H LEU A 135 -10.708 -7.526 -8.460 1.00 0.99 H new ATOM 0 HA LEU A 135 -9.405 -9.847 -9.303 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -9.396 -8.041 -6.941 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -8.749 -9.645 -6.658 1.00 1.00 H new ATOM 0 HG LEU A 135 -7.002 -8.016 -7.266 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -5.926 -9.363 -9.027 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -6.684 -10.389 -7.786 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -7.481 -10.162 -9.360 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -6.881 -7.149 -9.566 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -8.466 -7.876 -9.921 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -8.336 -6.569 -8.720 1.00 2.26 H new ATOM 2141 N VAL A 136 -10.908 -10.610 -6.502 1.00 1.65 N ATOM 2142 CA VAL A 136 -11.613 -11.669 -5.780 1.00 2.11 C ATOM 2143 C VAL A 136 -11.291 -13.057 -6.336 1.00 1.98 C ATOM 2144 O VAL A 136 -12.060 -13.623 -7.113 1.00 2.82 O ATOM 2145 CB VAL A 136 -13.142 -11.431 -5.798 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -13.676 -11.320 -7.219 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -13.873 -12.526 -5.034 1.00 3.66 C ATOM 0 H VAL A 136 -10.607 -9.834 -5.912 1.00 1.65 H new ATOM 0 HA VAL A 136 -11.262 -11.634 -4.749 1.00 2.11 H new ATOM 0 HB VAL A 136 -13.329 -10.480 -5.299 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -14.753 -11.153 -7.191 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -13.192 -10.485 -7.725 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -13.466 -12.243 -7.760 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -14.946 -12.335 -5.062 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -13.664 -13.492 -5.494 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -13.533 -12.536 -3.998 1.00 3.66 H new ATOM 2157 N PHE A 137 -10.146 -13.605 -5.936 1.00 1.34 N ATOM 2158 CA PHE A 137 -9.753 -14.929 -6.417 1.00 1.66 C ATOM 2159 C PHE A 137 -8.651 -15.580 -5.570 1.00 1.18 C ATOM 2160 O PHE A 137 -8.788 -16.738 -5.174 1.00 1.57 O ATOM 2161 CB PHE A 137 -9.303 -14.850 -7.872 1.00 2.23 C ATOM 2162 CG PHE A 137 -9.171 -16.194 -8.537 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -10.153 -17.159 -8.382 1.00 3.49 C ATOM 2164 CD2 PHE A 137 -8.063 -16.491 -9.318 1.00 3.88 C ATOM 2165 CE1 PHE A 137 -10.034 -18.394 -8.993 1.00 4.44 C ATOM 2166 CE2 PHE A 137 -7.940 -17.724 -9.930 1.00 4.85 C ATOM 2167 CZ PHE A 137 -8.934 -18.677 -9.767 1.00 5.09 C ATOM 0 H PHE A 137 -9.486 -13.165 -5.294 1.00 1.34 H new ATOM 0 HA PHE A 137 -10.636 -15.562 -6.330 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -10.017 -14.246 -8.432 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -8.343 -14.335 -7.919 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -11.022 -16.944 -7.777 1.00 3.49 H new ATOM 0 HD2 PHE A 137 -7.288 -15.750 -9.449 1.00 3.88 H new ATOM 0 HE1 PHE A 137 -10.807 -19.137 -8.862 1.00 4.44 H new ATOM 0 HE2 PHE A 137 -7.072 -17.945 -10.534 1.00 4.85 H new ATOM 0 HZ PHE A 137 -8.844 -19.640 -10.247 1.00 5.09 H new ATOM 2177 N PRO A 138 -7.539 -14.866 -5.283 1.00 0.88 N ATOM 2178 CA PRO A 138 -6.437 -15.419 -4.487 1.00 0.92 C ATOM 2179 C PRO A 138 -6.944 -16.168 -3.266 1.00 1.20 C ATOM 2180 O PRO A 138 -6.605 -17.330 -3.043 1.00 1.94 O ATOM 2181 CB PRO A 138 -5.661 -14.175 -4.072 1.00 1.24 C ATOM 2182 CG PRO A 138 -5.875 -13.216 -5.187 1.00 1.68 C ATOM 2183 CD PRO A 138 -7.265 -13.476 -5.701 1.00 1.44 C ATOM 0 HA PRO A 138 -5.841 -16.145 -5.040 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -6.029 -13.774 -3.127 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -4.602 -14.395 -3.935 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -5.774 -12.187 -4.841 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -5.135 -13.362 -5.974 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -7.987 -12.780 -5.274 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -7.319 -13.366 -6.784 1.00 1.44 H new ATOM 2191 N ASP A 139 -7.775 -15.490 -2.493 1.00 1.07 N ATOM 2192 CA ASP A 139 -8.367 -16.070 -1.296 1.00 1.62 C ATOM 2193 C ASP A 139 -9.850 -16.334 -1.524 1.00 1.65 C ATOM 2194 O ASP A 139 -10.494 -17.049 -0.757 1.00 2.28 O ATOM 2195 CB ASP A 139 -8.179 -15.134 -0.099 1.00 2.26 C ATOM 2196 CG ASP A 139 -8.919 -13.820 -0.269 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -10.166 -13.843 -0.321 1.00 3.20 O ATOM 2198 OD2 ASP A 139 -8.252 -12.768 -0.351 1.00 3.67 O ATOM 0 H ASP A 139 -8.058 -14.527 -2.674 1.00 1.07 H new ATOM 0 HA ASP A 139 -7.866 -17.014 -1.082 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -8.530 -15.631 0.806 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -7.116 -14.934 0.039 1.00 2.26 H new ATOM 2203 N GLY A 140 -10.383 -15.741 -2.591 1.00 1.25 N ATOM 2204 CA GLY A 140 -11.786 -15.907 -2.919 1.00 1.72 C ATOM 2205 C GLY A 140 -12.613 -14.701 -2.525 1.00 1.31 C ATOM 2206 O GLY A 140 -13.830 -14.799 -2.369 1.00 1.85 O ATOM 0 H GLY A 140 -9.863 -15.146 -3.236 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -11.889 -16.081 -3.990 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -12.173 -16.792 -2.413 1.00 1.72 H new ATOM 2210 N GLU A 141 -11.947 -13.558 -2.372 1.00 0.75 N ATOM 2211 CA GLU A 141 -12.626 -12.317 -2.000 1.00 0.94 C ATOM 2212 C GLU A 141 -11.849 -11.103 -2.475 1.00 0.82 C ATOM 2213 O GLU A 141 -10.647 -10.992 -2.231 1.00 1.19 O ATOM 2214 CB GLU A 141 -12.796 -12.205 -0.479 1.00 1.56 C ATOM 2215 CG GLU A 141 -13.657 -13.287 0.138 1.00 1.38 C ATOM 2216 CD GLU A 141 -13.966 -13.026 1.599 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -14.588 -11.983 1.897 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -13.586 -13.862 2.445 1.00 2.47 O ATOM 0 H GLU A 141 -10.939 -13.465 -2.500 1.00 0.75 H new ATOM 0 HA GLU A 141 -13.605 -12.345 -2.479 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -11.811 -12.232 -0.013 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -13.232 -11.234 -0.245 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -14.591 -13.364 -0.419 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -13.150 -14.247 0.044 1.00 1.38 H new ATOM 2225 N MET A 142 -12.546 -10.168 -3.112 1.00 0.57 N ATOM 2226 CA MET A 142 -11.910 -8.944 -3.558 1.00 0.54 C ATOM 2227 C MET A 142 -11.318 -8.244 -2.353 1.00 0.58 C ATOM 2228 O MET A 142 -11.776 -8.442 -1.229 1.00 0.92 O ATOM 2229 CB MET A 142 -12.902 -8.027 -4.273 1.00 0.57 C ATOM 2230 CG MET A 142 -12.784 -8.077 -5.781 1.00 0.67 C ATOM 2231 SD MET A 142 -14.150 -7.247 -6.617 1.00 1.32 S ATOM 2232 CE MET A 142 -15.543 -8.225 -6.056 1.00 1.58 C ATOM 0 H MET A 142 -13.541 -10.237 -3.327 1.00 0.57 H new ATOM 0 HA MET A 142 -11.125 -9.189 -4.274 1.00 0.54 H new ATOM 0 HB2 MET A 142 -13.916 -8.306 -3.985 1.00 0.57 H new ATOM 0 HB3 MET A 142 -12.746 -7.002 -3.937 1.00 0.57 H new ATOM 0 HG2 MET A 142 -11.844 -7.614 -6.083 1.00 0.67 H new ATOM 0 HG3 MET A 142 -12.745 -9.117 -6.104 1.00 0.67 H new ATOM 0 HE1 MET A 142 -16.231 -8.387 -6.886 1.00 1.58 H new ATOM 0 HE2 MET A 142 -15.187 -9.187 -5.686 1.00 1.58 H new ATOM 0 HE3 MET A 142 -16.059 -7.697 -5.254 1.00 1.58 H new ATOM 2242 N LEU A 143 -10.293 -7.449 -2.588 1.00 0.55 N ATOM 2243 CA LEU A 143 -9.624 -6.732 -1.513 1.00 0.62 C ATOM 2244 C LEU A 143 -10.644 -6.190 -0.518 1.00 0.56 C ATOM 2245 O LEU A 143 -10.742 -6.645 0.627 1.00 0.60 O ATOM 2246 CB LEU A 143 -8.799 -5.554 -2.057 1.00 0.76 C ATOM 2247 CG LEU A 143 -8.497 -5.538 -3.561 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -7.802 -6.820 -4.000 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -9.764 -5.297 -4.373 1.00 1.70 C ATOM 0 H LEU A 143 -9.902 -7.281 -3.515 1.00 0.55 H new ATOM 0 HA LEU A 143 -8.958 -7.439 -1.018 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -9.325 -4.632 -1.809 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -7.849 -5.533 -1.523 1.00 0.76 H new ATOM 0 HG LEU A 143 -7.815 -4.710 -3.751 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -7.602 -6.777 -5.071 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -6.862 -6.928 -3.459 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -8.444 -7.674 -3.785 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -9.520 -5.291 -5.435 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -10.482 -6.091 -4.171 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -10.197 -4.336 -4.095 1.00 1.70 H new ATOM 2261 N ARG A 144 -11.386 -5.199 -0.973 1.00 0.53 N ATOM 2262 CA ARG A 144 -12.395 -4.540 -0.171 1.00 0.52 C ATOM 2263 C ARG A 144 -13.372 -5.508 0.498 1.00 0.61 C ATOM 2264 O ARG A 144 -13.781 -5.251 1.617 1.00 0.69 O ATOM 2265 CB ARG A 144 -13.158 -3.535 -1.021 1.00 0.53 C ATOM 2266 CG ARG A 144 -14.283 -2.833 -0.276 1.00 0.58 C ATOM 2267 CD ARG A 144 -15.074 -1.922 -1.199 1.00 0.85 C ATOM 2268 NE ARG A 144 -16.220 -1.313 -0.528 1.00 1.18 N ATOM 2269 CZ ARG A 144 -17.108 -0.538 -1.146 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -16.981 -0.283 -2.442 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -18.124 -0.020 -0.471 1.00 2.16 N ATOM 0 H ARG A 144 -11.304 -4.826 -1.919 1.00 0.53 H new ATOM 0 HA ARG A 144 -11.866 -4.030 0.634 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -12.460 -2.786 -1.397 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -13.573 -4.048 -1.889 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -14.949 -3.575 0.164 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -13.869 -2.250 0.546 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -14.420 -1.138 -1.580 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -15.421 -2.493 -2.060 1.00 0.85 H new ATOM 0 HE ARG A 144 -16.346 -1.492 0.468 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -16.202 -0.681 -2.966 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -17.663 0.311 -2.914 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -18.227 -0.215 0.525 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -18.803 0.574 -0.947 1.00 2.16 H new ATOM 2285 N GLN A 145 -13.759 -6.602 -0.164 1.00 0.76 N ATOM 2286 CA GLN A 145 -14.700 -7.547 0.457 1.00 0.92 C ATOM 2287 C GLN A 145 -14.243 -7.852 1.863 1.00 0.89 C ATOM 2288 O GLN A 145 -15.020 -7.826 2.817 1.00 0.97 O ATOM 2289 CB GLN A 145 -14.778 -8.869 -0.303 1.00 1.21 C ATOM 2290 CG GLN A 145 -14.771 -8.707 -1.795 1.00 0.96 C ATOM 2291 CD GLN A 145 -15.917 -7.869 -2.299 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -15.594 -6.663 -2.725 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -17.073 -8.289 -2.283 1.00 1.87 N flip ATOM 0 H GLN A 145 -13.448 -6.854 -1.102 1.00 0.76 H new ATOM 0 HA GLN A 145 -15.684 -7.077 0.444 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -13.936 -9.497 -0.010 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -15.686 -9.395 -0.008 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -13.830 -8.249 -2.101 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -14.814 -9.691 -2.262 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -17.269 -9.231 -1.943 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -17.836 -7.696 -2.610 1.00 1.87 H new ATOM 2302 N ILE A 146 -12.959 -8.145 1.964 1.00 0.85 N ATOM 2303 CA ILE A 146 -12.343 -8.467 3.220 1.00 0.90 C ATOM 2304 C ILE A 146 -12.454 -7.308 4.199 1.00 0.85 C ATOM 2305 O ILE A 146 -12.641 -7.513 5.388 1.00 1.01 O ATOM 2306 CB ILE A 146 -10.859 -8.776 2.998 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -10.688 -9.650 1.755 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -10.269 -9.454 4.222 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -9.370 -9.435 1.053 1.00 1.06 C ATOM 0 H ILE A 146 -12.320 -8.164 1.169 1.00 0.85 H new ATOM 0 HA ILE A 146 -12.858 -9.333 3.635 1.00 0.90 H new ATOM 0 HB ILE A 146 -10.322 -7.841 2.840 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -10.773 -10.698 2.042 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -11.501 -9.443 1.059 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -9.214 -9.666 4.047 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -10.368 -8.796 5.086 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -10.800 -10.386 4.413 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -9.312 -10.085 0.180 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -9.292 -8.395 0.737 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -8.552 -9.669 1.735 1.00 1.06 H new ATOM 2321 N LEU A 147 -12.295 -6.085 3.704 1.00 0.72 N ATOM 2322 CA LEU A 147 -12.331 -4.908 4.581 1.00 0.75 C ATOM 2323 C LEU A 147 -13.728 -4.318 4.788 1.00 0.71 C ATOM 2324 O LEU A 147 -13.955 -3.580 5.744 1.00 0.81 O ATOM 2325 CB LEU A 147 -11.457 -3.816 3.987 1.00 0.92 C ATOM 2326 CG LEU A 147 -12.226 -2.812 3.129 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -12.656 -1.609 3.949 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -11.404 -2.375 1.955 1.00 1.66 C ATOM 0 H LEU A 147 -12.142 -5.879 2.717 1.00 0.72 H new ATOM 0 HA LEU A 147 -11.975 -5.252 5.552 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -10.958 -3.282 4.796 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -10.677 -4.277 3.380 1.00 0.92 H new ATOM 0 HG LEU A 147 -13.122 -3.310 2.758 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -13.201 -0.911 3.313 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -13.301 -1.936 4.765 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -11.775 -1.114 4.359 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -11.972 -1.661 1.359 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -10.486 -1.904 2.308 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -11.155 -3.242 1.343 1.00 1.66 H new ATOM 2340 N HIS A 148 -14.635 -4.590 3.871 1.00 0.71 N ATOM 2341 CA HIS A 148 -15.977 -4.019 3.933 1.00 0.76 C ATOM 2342 C HIS A 148 -16.822 -4.801 4.899 1.00 0.83 C ATOM 2343 O HIS A 148 -17.812 -4.308 5.440 1.00 0.92 O ATOM 2344 CB HIS A 148 -16.619 -4.015 2.541 1.00 0.79 C ATOM 2345 CG HIS A 148 -17.900 -3.238 2.451 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -18.547 -2.469 3.362 1.00 1.04 N flip ATOM 2347 CD2 HIS A 148 -18.667 -3.191 1.306 1.00 1.02 C flip ATOM 2348 CE1 HIS A 148 -19.679 -1.980 2.755 1.00 1.20 C flip ATOM 2349 NE2 HIS A 148 -19.726 -2.430 1.517 1.00 1.19 N flip ATOM 0 H HIS A 148 -14.473 -5.202 3.072 1.00 0.71 H new ATOM 0 HA HIS A 148 -15.907 -2.989 4.282 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -15.907 -3.602 1.827 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -16.811 -5.045 2.240 1.00 0.79 H new ATOM 0 HD1 HIS A 148 -18.249 -2.287 4.320 1.00 1.04 H new ATOM 0 HD2 HIS A 148 -18.438 -3.698 0.380 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -20.410 -1.333 3.217 1.00 1.20 H new ATOM 2358 N THR A 149 -16.415 -6.028 5.112 1.00 0.86 N ATOM 2359 CA THR A 149 -17.124 -6.895 6.011 1.00 0.97 C ATOM 2360 C THR A 149 -16.408 -6.997 7.347 1.00 1.00 C ATOM 2361 O THR A 149 -17.052 -7.087 8.391 1.00 1.13 O ATOM 2362 CB THR A 149 -17.275 -8.288 5.388 1.00 1.02 C ATOM 2363 OG1 THR A 149 -16.017 -8.936 5.294 1.00 1.35 O ATOM 2364 CG2 THR A 149 -17.873 -8.259 3.996 1.00 1.48 C ATOM 0 H THR A 149 -15.595 -6.446 4.673 1.00 0.86 H new ATOM 0 HA THR A 149 -18.113 -6.471 6.185 1.00 0.97 H new ATOM 0 HB THR A 149 -17.952 -8.827 6.051 1.00 1.02 H new ATOM 0 HG1 THR A 149 -15.553 -8.633 4.486 1.00 1.35 H new ATOM 0 HG21 THR A 149 -17.952 -9.276 3.613 1.00 1.48 H new ATOM 0 HG22 THR A 149 -18.864 -7.808 4.035 1.00 1.48 H new ATOM 0 HG23 THR A 149 -17.233 -7.672 3.337 1.00 1.48 H new ATOM 2372 N ARG A 150 -15.075 -7.040 7.318 1.00 0.91 N ATOM 2373 CA ARG A 150 -14.334 -7.202 8.562 1.00 0.97 C ATOM 2374 C ARG A 150 -13.340 -6.077 8.899 1.00 0.97 C ATOM 2375 O ARG A 150 -12.517 -6.252 9.799 1.00 1.16 O ATOM 2376 CB ARG A 150 -13.666 -8.568 8.528 1.00 1.01 C ATOM 2377 CG ARG A 150 -12.314 -8.611 7.859 1.00 1.12 C ATOM 2378 CD ARG A 150 -12.082 -9.960 7.180 1.00 1.43 C ATOM 2379 NE ARG A 150 -12.008 -11.072 8.129 1.00 1.84 N ATOM 2380 CZ ARG A 150 -13.070 -11.688 8.655 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -14.296 -11.356 8.277 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -12.899 -12.657 9.545 1.00 2.86 N ATOM 0 H ARG A 150 -14.505 -6.967 6.475 1.00 0.91 H new ATOM 0 HA ARG A 150 -15.051 -7.133 9.380 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -13.557 -8.926 9.552 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -14.329 -9.265 8.015 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -12.244 -7.812 7.121 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -11.533 -8.433 8.598 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -12.889 -10.147 6.471 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -11.157 -9.917 6.606 1.00 1.43 H new ATOM 0 HE ARG A 150 -11.083 -11.399 8.407 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -14.434 -10.625 7.579 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -15.101 -11.832 8.684 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -11.958 -12.931 9.827 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -13.709 -13.128 9.948 1.00 2.86 H new ATOM 2396 N ALA A 151 -13.394 -4.929 8.217 1.00 0.88 N ATOM 2397 CA ALA A 151 -12.467 -3.852 8.530 1.00 0.91 C ATOM 2398 C ALA A 151 -13.198 -2.523 8.627 1.00 0.92 C ATOM 2399 O ALA A 151 -13.706 -2.163 9.689 1.00 1.18 O ATOM 2400 CB ALA A 151 -11.353 -3.790 7.494 1.00 0.89 C ATOM 0 H ALA A 151 -14.053 -4.729 7.465 1.00 0.88 H new ATOM 0 HA ALA A 151 -12.016 -4.056 9.501 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -10.669 -2.979 7.743 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -10.809 -4.735 7.488 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -11.782 -3.612 6.508 1.00 0.89 H new ATOM 2406 N PHE A 152 -13.252 -1.797 7.520 1.00 0.79 N ATOM 2407 CA PHE A 152 -13.924 -0.514 7.495 1.00 0.99 C ATOM 2408 C PHE A 152 -15.215 -0.584 6.686 1.00 0.88 C ATOM 2409 O PHE A 152 -15.676 -1.666 6.328 1.00 1.32 O ATOM 2410 CB PHE A 152 -12.999 0.543 6.910 1.00 1.26 C ATOM 2411 CG PHE A 152 -11.869 0.945 7.821 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -10.993 -0.008 8.317 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -11.682 2.270 8.182 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -9.955 0.352 9.154 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -10.645 2.636 9.020 1.00 3.27 C ATOM 2416 CZ PHE A 152 -9.785 1.696 9.501 1.00 3.92 C ATOM 0 H PHE A 152 -12.838 -2.077 6.631 1.00 0.79 H new ATOM 0 HA PHE A 152 -14.181 -0.244 8.519 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -12.582 0.168 5.975 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -13.586 1.428 6.665 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -11.124 -1.045 8.046 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -12.355 3.026 7.804 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -9.280 -0.399 9.538 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -10.516 3.673 9.295 1.00 3.27 H new ATOM 0 HZ PHE A 152 -8.973 1.988 10.150 1.00 3.92 H new ATOM 2426 N ASP A 153 -15.795 0.579 6.405 1.00 0.92 N ATOM 2427 CA ASP A 153 -17.033 0.651 5.638 1.00 1.10 C ATOM 2428 C ASP A 153 -16.873 1.569 4.429 1.00 1.14 C ATOM 2429 O ASP A 153 -17.653 2.504 4.240 1.00 1.88 O ATOM 2430 CB ASP A 153 -18.180 1.144 6.522 1.00 1.43 C ATOM 2431 CG ASP A 153 -18.437 0.228 7.704 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -17.520 0.055 8.533 1.00 2.80 O ATOM 2433 OD2 ASP A 153 -19.557 -0.317 7.798 1.00 2.58 O ATOM 0 H ASP A 153 -15.427 1.484 6.697 1.00 0.92 H new ATOM 0 HA ASP A 153 -17.267 -0.352 5.280 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -17.950 2.145 6.886 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -19.088 1.223 5.924 1.00 1.43 H new ATOM 2438 N LYS A 154 -15.857 1.292 3.614 1.00 0.75 N ATOM 2439 CA LYS A 154 -15.583 2.083 2.415 1.00 0.78 C ATOM 2440 C LYS A 154 -15.224 3.523 2.778 1.00 0.91 C ATOM 2441 O LYS A 154 -16.087 4.318 3.150 1.00 1.80 O ATOM 2442 CB LYS A 154 -16.790 2.042 1.466 1.00 0.89 C ATOM 2443 CG LYS A 154 -16.593 2.791 0.152 1.00 0.86 C ATOM 2444 CD LYS A 154 -16.910 4.272 0.289 1.00 1.03 C ATOM 2445 CE LYS A 154 -16.730 5.005 -1.031 1.00 1.54 C ATOM 2446 NZ LYS A 154 -17.605 4.449 -2.100 1.00 2.17 N ATOM 0 H LYS A 154 -15.206 0.521 3.763 1.00 0.75 H new ATOM 0 HA LYS A 154 -14.725 1.647 1.904 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -17.025 1.001 1.244 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -17.654 2.461 1.981 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -15.563 2.670 -0.184 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -17.232 2.353 -0.615 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -17.935 4.395 0.638 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -16.261 4.716 1.044 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -16.954 6.063 -0.892 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -15.688 4.938 -1.344 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -17.661 5.124 -2.889 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -17.208 3.550 -2.441 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -18.558 4.284 -1.718 1.00 2.17 H new ATOM 2460 N LEU A 155 -13.940 3.848 2.655 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.454 5.189 2.956 1.00 0.61 C ATOM 2462 C LEU A 155 -13.793 6.132 1.805 1.00 0.68 C ATOM 2463 O LEU A 155 -14.288 5.690 0.769 1.00 0.89 O ATOM 2464 CB LEU A 155 -11.942 5.155 3.197 1.00 0.60 C ATOM 2465 CG LEU A 155 -11.477 4.181 4.289 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -9.972 4.276 4.478 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -12.195 4.466 5.602 1.00 1.23 C ATOM 0 H LEU A 155 -13.216 3.198 2.348 1.00 0.61 H new ATOM 0 HA LEU A 155 -13.940 5.554 3.861 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -11.447 4.891 2.262 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -11.610 6.159 3.462 1.00 0.60 H new ATOM 0 HG LEU A 155 -11.725 3.167 3.974 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -9.658 3.579 5.255 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -9.471 4.026 3.543 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -9.706 5.291 4.772 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -11.852 3.766 6.364 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -11.977 5.485 5.922 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -13.270 4.352 5.461 1.00 1.23 H new ATOM 2479 N ASN A 156 -13.527 7.428 1.973 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.819 8.388 0.922 1.00 0.77 C ATOM 2481 C ASN A 156 -12.578 9.160 0.536 1.00 0.65 C ATOM 2482 O ASN A 156 -11.772 9.525 1.390 1.00 0.69 O ATOM 2483 CB ASN A 156 -14.925 9.351 1.352 1.00 1.04 C ATOM 2484 CG ASN A 156 -16.288 8.701 1.294 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -16.750 8.298 0.226 1.00 2.44 O ATOM 2486 ND2 ASN A 156 -16.940 8.590 2.439 1.00 2.12 N ATOM 0 H ASN A 156 -13.116 7.828 2.816 1.00 0.66 H new ATOM 0 HA ASN A 156 -14.165 7.830 0.052 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -14.731 9.698 2.367 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -14.913 10.230 0.707 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -17.863 8.157 2.460 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -16.520 8.938 3.301 1.00 2.12 H new ATOM 2493 N LYS A 157 -12.437 9.407 -0.759 1.00 0.64 N ATOM 2494 CA LYS A 157 -11.287 10.140 -1.258 1.00 0.64 C ATOM 2495 C LYS A 157 -11.145 11.444 -0.498 1.00 0.68 C ATOM 2496 O LYS A 157 -12.136 12.058 -0.102 1.00 0.95 O ATOM 2497 CB LYS A 157 -11.388 10.401 -2.761 1.00 0.79 C ATOM 2498 CG LYS A 157 -11.440 9.133 -3.604 1.00 0.96 C ATOM 2499 CD LYS A 157 -12.809 8.470 -3.549 1.00 1.67 C ATOM 2500 CE LYS A 157 -12.833 7.168 -4.334 1.00 1.70 C ATOM 2501 NZ LYS A 157 -14.182 6.535 -4.317 1.00 2.51 N ATOM 0 H LYS A 157 -13.100 9.112 -1.476 1.00 0.64 H new ATOM 0 HA LYS A 157 -10.399 9.529 -1.097 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -12.281 10.994 -2.958 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -10.533 11.000 -3.075 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -11.195 9.375 -4.638 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -10.683 8.432 -3.252 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -13.078 8.274 -2.511 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -13.560 9.151 -3.950 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -12.535 7.360 -5.365 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -12.102 6.477 -3.914 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -14.080 5.504 -4.229 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -14.726 6.899 -3.509 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -14.682 6.760 -5.201 1.00 2.51 H new ATOM 2515 N TRP A 158 -9.904 11.836 -0.274 1.00 0.73 N ATOM 2516 CA TRP A 158 -9.596 13.045 0.467 1.00 0.83 C ATOM 2517 C TRP A 158 -10.496 14.205 0.045 1.00 1.08 C ATOM 2518 O TRP A 158 -10.949 14.955 0.935 1.00 1.47 O ATOM 2519 CB TRP A 158 -8.130 13.414 0.247 1.00 0.85 C ATOM 2520 CG TRP A 158 -7.662 14.577 1.072 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -6.967 15.665 0.627 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -7.847 14.768 2.481 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -6.712 16.523 1.670 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -7.243 15.995 2.817 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -8.467 14.024 3.488 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -7.239 16.491 4.120 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -8.464 14.518 4.778 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -7.855 15.741 5.084 1.00 2.95 C ATOM 2529 OXT TRP A 158 -10.739 14.354 -1.172 1.00 1.75 O ATOM 0 H TRP A 158 -9.083 11.326 -0.600 1.00 0.73 H new ATOM 0 HA TRP A 158 -9.776 12.854 1.525 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -7.510 12.547 0.475 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -7.979 13.646 -0.807 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -6.662 15.828 -0.396 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -6.210 17.408 1.601 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -8.940 13.080 3.262 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -6.767 17.432 4.359 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -8.940 13.951 5.564 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -7.872 16.100 6.103 1.00 2.95 H new TER 2540 TRP A 158