USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=38 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 154 LYS NZ :NH3+ 178:sc= -2.79! (180deg=-3.12!) USER MOD Set 1.2: A 157 LYS NZ :NH3+ -164:sc= -0.0441 (180deg=-0.299) USER MOD Set 2.1: A 40 TYR OH : rot -147:sc= 0.297 USER MOD Set 2.2: A 124 MET CE :methyl 173:sc= -2.09 (180deg=-2.51) USER MOD Set 3.1: A 118 MET CE :methyl -156:sc= -8.49! (180deg=-8.73!) USER MOD Set 3.2: A 119 LYS NZ :NH3+ -161:sc= -2.53! (180deg=-0.309) USER MOD Set 4.1: A 107 ASN :FLIP amide:sc= -3.57! C(o=-5.4!,f=-3.6!) USER MOD Set 4.2: A 112 THR OG1 : rot 180:sc= -0.0623 USER MOD Set 5.1: A 71 ASN : amide:sc= -0.386! K(o=-2.4!,f=-3.2) USER MOD Set 5.2: A 74 GLN : amide:sc= -2.01! C(o=-2.4!,f=-2.7!) USER MOD Set 6.1: A 31 SER OG : rot 130:sc= 0.469 USER MOD Set 6.2: A 62 THR OG1 : rot 83:sc= 1.25 USER MOD Set 7.1: A 42 THR OG1 : rot 100:sc= -0.536 USER MOD Set 7.2: A 55 ASN : amide:sc= -6.13! C(o=-6.7!,f=-8.6!) USER MOD Set 8.1: A 37 SER OG : rot 180:sc= -0.615 USER MOD Set 8.2: A 38 SER OG : rot -80:sc= -0.76 USER MOD Set 9.1: A 17 GLN :FLIP amide:sc= -1.05 F(o=-10!,f=-5.5) USER MOD Set 9.2: A 80 GLN :FLIP amide:sc= -3.41! C(o=-8.5!,f=-5.5!) USER MOD Set 9.3: A 93 THR OG1 : rot 139:sc= -1.07 USER MOD Single : A 1 THR N :NH3+ -173:sc= 0 (180deg=-0.0499) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -74:sc= -12.3! USER MOD Single : A 9 SER OG : rot 179:sc= -0.783 USER MOD Single : A 10 ASN : amide:sc= -2.1 K(o=-2.1,f=-3.9) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -2.47 F(o=-7.2!,f=-2.5) USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= -2.3! (180deg=-4.59!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 47:sc= -3.16! USER MOD Single : A 48 GLN :FLIP amide:sc= -6.17! C(o=-7.7!,f=-6.2!) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.57 F(o=-6.2!,f=-1.6) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0357 X(o=-0.036,f=-0.44) USER MOD Single : A 73 THR OG1 : rot -14:sc= -1.48! USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -140:sc= -7.01! (180deg=-9.67!) USER MOD Single : A 103 ASN :FLIP amide:sc= -2.61! C(o=-9!,f=-2.6!) USER MOD Single : A 108 THR OG1 : rot -47:sc= -1.8! USER MOD Single : A 115 HIS : no HD1:sc= -13.4! C(o=-13!,f=-18!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN :FLIP amide:sc= -1.21 F(o=-3.8!,f=-1.2) USER MOD Single : A 142 MET CE :methyl -143:sc= -2.84! (180deg=-5.09!) USER MOD Single : A 145 GLN :FLIP amide:sc= -4.27! C(o=-8.3!,f=-4.3!) USER MOD Single : A 148 HIS : no HD1:sc= -2.04 K(o=-2,f=-2.6) USER MOD Single : A 149 THR OG1 : rot -81:sc= 0.475 USER MOD Single : A 156 ASN :FLIP amide:sc= -0.153 F(o=-2!,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.992 -8.689 -15.439 1.00 0.82 N ATOM 2 CA THR A 1 1.551 -9.250 -14.135 1.00 0.59 C ATOM 3 C THR A 1 1.097 -8.151 -13.183 1.00 0.52 C ATOM 4 O THR A 1 1.908 -7.575 -12.448 1.00 0.52 O ATOM 5 CB THR A 1 2.712 -10.034 -13.519 1.00 0.64 C ATOM 6 OG1 THR A 1 3.122 -11.081 -14.381 1.00 0.92 O ATOM 7 CG2 THR A 1 2.375 -10.649 -12.177 1.00 0.62 C ATOM 0 H1 THR A 1 2.182 -9.465 -16.104 1.00 0.82 H new ATOM 0 H2 THR A 1 1.244 -8.078 -15.825 1.00 0.82 H new ATOM 0 H3 THR A 1 2.859 -8.131 -15.302 1.00 0.82 H new ATOM 0 HA THR A 1 0.700 -9.909 -14.304 1.00 0.59 H new ATOM 0 HB THR A 1 3.509 -9.305 -13.375 1.00 0.64 H new ATOM 0 HG1 THR A 1 3.866 -11.570 -13.971 1.00 0.92 H new ATOM 0 HG21 THR A 1 3.241 -11.190 -11.797 1.00 0.62 H new ATOM 0 HG22 THR A 1 2.102 -9.862 -11.474 1.00 0.62 H new ATOM 0 HG23 THR A 1 1.539 -11.339 -12.292 1.00 0.62 H new ATOM 17 N VAL A 2 -0.207 -7.882 -13.186 1.00 0.54 N ATOM 18 CA VAL A 2 -0.771 -6.870 -12.309 1.00 0.54 C ATOM 19 C VAL A 2 -0.583 -7.311 -10.872 1.00 0.44 C ATOM 20 O VAL A 2 -1.197 -8.277 -10.410 1.00 0.45 O ATOM 21 CB VAL A 2 -2.269 -6.640 -12.587 1.00 0.65 C ATOM 22 CG1 VAL A 2 -2.831 -5.578 -11.655 1.00 1.49 C ATOM 23 CG2 VAL A 2 -2.489 -6.252 -14.040 1.00 1.42 C ATOM 0 H VAL A 2 -0.887 -8.351 -13.785 1.00 0.54 H new ATOM 0 HA VAL A 2 -0.254 -5.928 -12.494 1.00 0.54 H new ATOM 0 HB VAL A 2 -2.800 -7.573 -12.398 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -3.890 -5.431 -11.868 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -2.710 -5.901 -10.621 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -2.296 -4.640 -11.807 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -3.553 -6.094 -14.217 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -1.944 -5.333 -14.258 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -2.128 -7.050 -14.688 1.00 1.42 H new ATOM 33 N ALA A 3 0.313 -6.634 -10.178 1.00 0.43 N ATOM 34 CA ALA A 3 0.621 -7.001 -8.817 1.00 0.40 C ATOM 35 C ALA A 3 0.164 -5.982 -7.790 1.00 0.33 C ATOM 36 O ALA A 3 -0.026 -4.795 -8.073 1.00 0.37 O ATOM 37 CB ALA A 3 2.111 -7.247 -8.669 1.00 0.48 C ATOM 0 H ALA A 3 0.835 -5.833 -10.535 1.00 0.43 H new ATOM 0 HA ALA A 3 0.062 -7.915 -8.615 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.334 -7.523 -7.638 1.00 0.48 H new ATOM 0 HB2 ALA A 3 2.414 -8.055 -9.335 1.00 0.48 H new ATOM 0 HB3 ALA A 3 2.657 -6.340 -8.927 1.00 0.48 H new ATOM 43 N TYR A 4 0.022 -6.508 -6.589 1.00 0.38 N ATOM 44 CA TYR A 4 -0.395 -5.788 -5.396 1.00 0.48 C ATOM 45 C TYR A 4 0.657 -4.823 -4.869 1.00 0.46 C ATOM 46 O TYR A 4 1.836 -5.158 -4.787 1.00 0.72 O ATOM 47 CB TYR A 4 -0.591 -6.835 -4.315 1.00 0.79 C ATOM 48 CG TYR A 4 0.553 -7.866 -4.241 1.00 2.03 C ATOM 49 CD1 TYR A 4 1.678 -7.745 -5.036 1.00 3.01 C ATOM 50 CD2 TYR A 4 0.523 -8.927 -3.341 1.00 2.70 C ATOM 51 CE1 TYR A 4 2.729 -8.631 -4.935 1.00 4.21 C ATOM 52 CE2 TYR A 4 1.556 -9.819 -3.243 1.00 3.83 C ATOM 53 CZ TYR A 4 2.563 -9.776 -4.182 1.00 4.50 C ATOM 54 OH TYR A 4 3.704 -10.529 -3.908 1.00 5.73 O ATOM 0 H TYR A 4 0.202 -7.495 -6.407 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.285 -5.211 -5.646 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -0.683 -6.336 -3.350 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -1.530 -7.359 -4.494 1.00 0.79 H new ATOM 0 HD1 TYR A 4 1.734 -6.938 -5.752 1.00 3.01 H new ATOM 0 HD2 TYR A 4 -0.339 -9.050 -2.702 1.00 2.70 H new ATOM 0 HE1 TYR A 4 3.665 -8.433 -5.436 1.00 4.21 H new ATOM 0 HE2 TYR A 4 1.581 -10.544 -2.443 1.00 3.83 H new ATOM 0 HH TYR A 4 3.982 -11.008 -4.716 1.00 5.73 H new ATOM 64 N ILE A 5 0.232 -3.624 -4.476 1.00 0.40 N ATOM 65 CA ILE A 5 1.170 -2.650 -3.926 1.00 0.45 C ATOM 66 C ILE A 5 0.493 -1.714 -2.934 1.00 0.44 C ATOM 67 O ILE A 5 -0.227 -0.791 -3.316 1.00 0.57 O ATOM 68 CB ILE A 5 1.853 -1.811 -5.015 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.224 -2.694 -6.206 1.00 0.52 C ATOM 70 CG2 ILE A 5 3.093 -1.150 -4.434 1.00 0.93 C ATOM 71 CD1 ILE A 5 2.881 -1.940 -7.341 1.00 0.79 C ATOM 0 H ILE A 5 -0.737 -3.308 -4.527 1.00 0.40 H new ATOM 0 HA ILE A 5 1.931 -3.236 -3.411 1.00 0.45 H new ATOM 0 HB ILE A 5 1.167 -1.039 -5.364 1.00 0.55 H new ATOM 0 HG12 ILE A 5 2.897 -3.482 -5.867 1.00 0.52 H new ATOM 0 HG13 ILE A 5 1.324 -3.182 -6.579 1.00 0.52 H new ATOM 0 HG21 ILE A 5 3.582 -0.553 -5.204 1.00 0.93 H new ATOM 0 HG22 ILE A 5 2.806 -0.506 -3.603 1.00 0.93 H new ATOM 0 HG23 ILE A 5 3.781 -1.917 -4.078 1.00 0.93 H new ATOM 0 HD11 ILE A 5 3.115 -2.632 -8.150 1.00 0.79 H new ATOM 0 HD12 ILE A 5 2.202 -1.170 -7.707 1.00 0.79 H new ATOM 0 HD13 ILE A 5 3.800 -1.474 -6.985 1.00 0.79 H new ATOM 83 N ALA A 6 0.746 -1.959 -1.656 1.00 0.48 N ATOM 84 CA ALA A 6 0.189 -1.148 -0.585 1.00 0.51 C ATOM 85 C ALA A 6 1.106 0.025 -0.264 1.00 0.46 C ATOM 86 O ALA A 6 2.233 -0.172 0.194 1.00 0.58 O ATOM 87 CB ALA A 6 -0.022 -2.000 0.656 1.00 0.71 C ATOM 0 H ALA A 6 1.341 -2.723 -1.334 1.00 0.48 H new ATOM 0 HA ALA A 6 -0.772 -0.753 -0.915 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -0.439 -1.385 1.453 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -0.711 -2.813 0.426 1.00 0.71 H new ATOM 0 HB3 ALA A 6 0.933 -2.414 0.980 1.00 0.71 H new ATOM 93 N ILE A 7 0.628 1.244 -0.495 1.00 0.44 N ATOM 94 CA ILE A 7 1.428 2.428 -0.214 1.00 0.43 C ATOM 95 C ILE A 7 0.718 3.338 0.776 1.00 0.49 C ATOM 96 O ILE A 7 -0.428 3.733 0.563 1.00 0.58 O ATOM 97 CB ILE A 7 1.765 3.215 -1.497 1.00 0.47 C ATOM 98 CG1 ILE A 7 0.488 3.638 -2.227 1.00 1.19 C ATOM 99 CG2 ILE A 7 2.651 2.378 -2.408 1.00 1.41 C ATOM 100 CD1 ILE A 7 0.742 4.495 -3.448 1.00 1.42 C ATOM 0 H ILE A 7 -0.300 1.436 -0.872 1.00 0.44 H new ATOM 0 HA ILE A 7 2.364 2.081 0.224 1.00 0.43 H new ATOM 0 HB ILE A 7 2.307 4.118 -1.216 1.00 0.47 H new ATOM 0 HG12 ILE A 7 -0.061 2.746 -2.528 1.00 1.19 H new ATOM 0 HG13 ILE A 7 -0.151 4.187 -1.535 1.00 1.19 H new ATOM 0 HG21 ILE A 7 2.882 2.944 -3.310 1.00 1.41 H new ATOM 0 HG22 ILE A 7 3.576 2.130 -1.888 1.00 1.41 H new ATOM 0 HG23 ILE A 7 2.130 1.460 -2.679 1.00 1.41 H new ATOM 0 HD11 ILE A 7 -0.208 4.756 -3.913 1.00 1.42 H new ATOM 0 HD12 ILE A 7 1.263 5.405 -3.152 1.00 1.42 H new ATOM 0 HD13 ILE A 7 1.355 3.942 -4.160 1.00 1.42 H new ATOM 112 N GLY A 8 1.398 3.657 1.870 1.00 0.57 N ATOM 113 CA GLY A 8 0.806 4.506 2.882 1.00 0.69 C ATOM 114 C GLY A 8 1.688 5.676 3.258 1.00 0.68 C ATOM 115 O GLY A 8 2.905 5.624 3.093 1.00 0.77 O ATOM 0 H GLY A 8 2.347 3.343 2.073 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.151 4.881 2.520 1.00 0.69 H new ATOM 0 HA3 GLY A 8 0.600 3.912 3.772 1.00 0.69 H new ATOM 119 N SER A 9 1.067 6.733 3.767 1.00 0.70 N ATOM 120 CA SER A 9 1.798 7.925 4.170 1.00 0.75 C ATOM 121 C SER A 9 1.074 8.658 5.298 1.00 0.87 C ATOM 122 O SER A 9 -0.159 8.695 5.348 1.00 0.92 O ATOM 123 CB SER A 9 2.006 8.848 2.972 1.00 0.76 C ATOM 124 OG SER A 9 2.600 10.074 3.365 1.00 1.67 O ATOM 0 H SER A 9 0.059 6.788 3.910 1.00 0.70 H new ATOM 0 HA SER A 9 2.774 7.617 4.546 1.00 0.75 H new ATOM 0 HB2 SER A 9 2.639 8.354 2.235 1.00 0.76 H new ATOM 0 HB3 SER A 9 1.048 9.043 2.490 1.00 0.76 H new ATOM 0 HG SER A 9 2.744 10.636 2.575 1.00 1.67 H new ATOM 130 N ASN A 10 1.857 9.233 6.204 1.00 1.03 N ATOM 131 CA ASN A 10 1.317 9.961 7.347 1.00 1.23 C ATOM 132 C ASN A 10 2.355 10.931 7.903 1.00 1.30 C ATOM 133 O ASN A 10 3.155 10.569 8.765 1.00 2.00 O ATOM 134 CB ASN A 10 0.885 8.981 8.445 1.00 1.55 C ATOM 135 CG ASN A 10 -0.284 8.108 8.030 1.00 2.18 C ATOM 136 OD1 ASN A 10 -1.367 8.606 7.722 1.00 2.66 O ATOM 137 ND2 ASN A 10 -0.071 6.796 8.022 1.00 3.02 N ATOM 0 H ASN A 10 2.876 9.208 6.168 1.00 1.03 H new ATOM 0 HA ASN A 10 0.449 10.528 7.012 1.00 1.23 H new ATOM 0 HB2 ASN A 10 1.730 8.346 8.711 1.00 1.55 H new ATOM 0 HB3 ASN A 10 0.614 9.542 9.339 1.00 1.55 H new ATOM 0 HD21 ASN A 10 -0.821 6.159 7.753 1.00 3.02 H new ATOM 0 HD22 ASN A 10 0.843 6.426 8.285 1.00 3.02 H new ATOM 144 N LEU A 11 2.340 12.160 7.395 1.00 1.21 N ATOM 145 CA LEU A 11 3.284 13.187 7.827 1.00 1.31 C ATOM 146 C LEU A 11 2.987 14.497 7.103 1.00 1.49 C ATOM 147 O LEU A 11 2.487 14.474 5.980 1.00 1.96 O ATOM 148 CB LEU A 11 4.721 12.722 7.540 1.00 1.36 C ATOM 149 CG LEU A 11 5.853 13.613 8.073 1.00 1.66 C ATOM 150 CD1 LEU A 11 6.036 14.851 7.207 1.00 2.11 C ATOM 151 CD2 LEU A 11 5.593 14.008 9.520 1.00 2.45 C ATOM 0 H LEU A 11 1.681 12.470 6.681 1.00 1.21 H new ATOM 0 HA LEU A 11 3.179 13.352 8.899 1.00 1.31 H new ATOM 0 HB2 LEU A 11 4.846 11.724 7.961 1.00 1.36 H new ATOM 0 HB3 LEU A 11 4.840 12.630 6.460 1.00 1.36 H new ATOM 0 HG LEU A 11 6.776 13.035 8.033 1.00 1.66 H new ATOM 0 HD11 LEU A 11 6.844 15.461 7.610 1.00 2.11 H new ATOM 0 HD12 LEU A 11 6.282 14.550 6.189 1.00 2.11 H new ATOM 0 HD13 LEU A 11 5.113 15.430 7.201 1.00 2.11 H new ATOM 0 HD21 LEU A 11 6.407 14.639 9.877 1.00 2.45 H new ATOM 0 HD22 LEU A 11 4.654 14.557 9.584 1.00 2.45 H new ATOM 0 HD23 LEU A 11 5.532 13.111 10.137 1.00 2.45 H new ATOM 163 N ALA A 12 3.295 15.628 7.748 1.00 1.57 N ATOM 164 CA ALA A 12 3.060 16.948 7.154 1.00 1.79 C ATOM 165 C ALA A 12 3.207 16.889 5.638 1.00 1.71 C ATOM 166 O ALA A 12 4.302 16.666 5.121 1.00 2.29 O ATOM 167 CB ALA A 12 4.020 17.971 7.741 1.00 2.08 C ATOM 0 H ALA A 12 3.707 15.655 8.681 1.00 1.57 H new ATOM 0 HA ALA A 12 2.040 17.254 7.388 1.00 1.79 H new ATOM 0 HB1 ALA A 12 3.833 18.946 7.290 1.00 2.08 H new ATOM 0 HB2 ALA A 12 3.870 18.035 8.819 1.00 2.08 H new ATOM 0 HB3 ALA A 12 5.046 17.667 7.535 1.00 2.08 H new ATOM 173 N SER A 13 2.088 17.053 4.934 1.00 1.54 N ATOM 174 CA SER A 13 2.083 16.979 3.477 1.00 1.42 C ATOM 175 C SER A 13 2.504 15.577 3.042 1.00 1.10 C ATOM 176 O SER A 13 3.580 15.389 2.473 1.00 1.17 O ATOM 177 CB SER A 13 3.016 18.031 2.872 1.00 1.72 C ATOM 178 OG SER A 13 3.012 17.962 1.457 1.00 2.45 O ATOM 0 H SER A 13 1.175 17.238 5.350 1.00 1.54 H new ATOM 0 HA SER A 13 1.075 17.183 3.116 1.00 1.42 H new ATOM 0 HB2 SER A 13 2.704 19.025 3.192 1.00 1.72 H new ATOM 0 HB3 SER A 13 4.029 17.880 3.244 1.00 1.72 H new ATOM 0 HG SER A 13 3.614 18.645 1.094 1.00 2.45 H new ATOM 184 N PRO A 14 1.659 14.566 3.328 1.00 0.96 N ATOM 185 CA PRO A 14 1.948 13.167 2.987 1.00 0.92 C ATOM 186 C PRO A 14 2.124 12.953 1.491 1.00 0.86 C ATOM 187 O PRO A 14 2.690 11.951 1.060 1.00 0.90 O ATOM 188 CB PRO A 14 0.714 12.407 3.488 1.00 1.18 C ATOM 189 CG PRO A 14 0.087 13.307 4.494 1.00 1.23 C ATOM 190 CD PRO A 14 0.364 14.704 4.018 1.00 1.14 C ATOM 0 HA PRO A 14 2.884 12.833 3.435 1.00 0.92 H new ATOM 0 HB2 PRO A 14 0.026 12.189 2.671 1.00 1.18 H new ATOM 0 HB3 PRO A 14 0.993 11.452 3.933 1.00 1.18 H new ATOM 0 HG2 PRO A 14 -0.985 13.124 4.569 1.00 1.23 H new ATOM 0 HG3 PRO A 14 0.509 13.140 5.485 1.00 1.23 H new ATOM 0 HD2 PRO A 14 -0.415 15.064 3.346 1.00 1.14 H new ATOM 0 HD3 PRO A 14 0.421 15.409 4.847 1.00 1.14 H new ATOM 198 N LEU A 15 1.630 13.900 0.703 1.00 0.89 N ATOM 199 CA LEU A 15 1.727 13.815 -0.747 1.00 0.90 C ATOM 200 C LEU A 15 3.181 13.678 -1.194 1.00 0.84 C ATOM 201 O LEU A 15 3.467 13.067 -2.222 1.00 0.84 O ATOM 202 CB LEU A 15 1.102 15.058 -1.387 1.00 1.07 C ATOM 203 CG LEU A 15 1.115 15.082 -2.918 1.00 1.33 C ATOM 204 CD1 LEU A 15 0.290 13.935 -3.482 1.00 1.67 C ATOM 205 CD2 LEU A 15 0.597 16.416 -3.431 1.00 1.72 C ATOM 0 H LEU A 15 1.158 14.737 1.045 1.00 0.89 H new ATOM 0 HA LEU A 15 1.184 12.927 -1.072 1.00 0.90 H new ATOM 0 HB2 LEU A 15 0.070 15.141 -1.047 1.00 1.07 H new ATOM 0 HB3 LEU A 15 1.630 15.939 -1.022 1.00 1.07 H new ATOM 0 HG LEU A 15 2.144 14.957 -3.255 1.00 1.33 H new ATOM 0 HD11 LEU A 15 0.313 13.971 -4.571 1.00 1.67 H new ATOM 0 HD12 LEU A 15 0.705 12.986 -3.142 1.00 1.67 H new ATOM 0 HD13 LEU A 15 -0.740 14.024 -3.138 1.00 1.67 H new ATOM 0 HD21 LEU A 15 0.612 16.417 -4.521 1.00 1.72 H new ATOM 0 HD22 LEU A 15 -0.424 16.568 -3.082 1.00 1.72 H new ATOM 0 HD23 LEU A 15 1.231 17.220 -3.058 1.00 1.72 H new ATOM 217 N GLU A 16 4.095 14.256 -0.420 1.00 0.86 N ATOM 218 CA GLU A 16 5.517 14.205 -0.746 1.00 0.88 C ATOM 219 C GLU A 16 6.124 12.835 -0.448 1.00 0.76 C ATOM 220 O GLU A 16 6.899 12.309 -1.247 1.00 0.75 O ATOM 221 CB GLU A 16 6.275 15.283 0.031 1.00 1.05 C ATOM 222 CG GLU A 16 5.805 16.696 -0.275 1.00 1.40 C ATOM 223 CD GLU A 16 6.587 17.746 0.491 1.00 1.82 C ATOM 224 OE1 GLU A 16 6.572 17.705 1.739 1.00 2.16 O ATOM 225 OE2 GLU A 16 7.212 18.610 -0.158 1.00 2.49 O ATOM 0 H GLU A 16 3.877 14.765 0.437 1.00 0.86 H new ATOM 0 HA GLU A 16 5.611 14.387 -1.817 1.00 0.88 H new ATOM 0 HB2 GLU A 16 6.164 15.095 1.099 1.00 1.05 H new ATOM 0 HB3 GLU A 16 7.338 15.205 -0.198 1.00 1.05 H new ATOM 0 HG2 GLU A 16 5.901 16.884 -1.344 1.00 1.40 H new ATOM 0 HG3 GLU A 16 4.747 16.785 -0.030 1.00 1.40 H new ATOM 232 N GLN A 17 5.783 12.266 0.704 1.00 0.73 N ATOM 233 CA GLN A 17 6.318 10.968 1.094 1.00 0.71 C ATOM 234 C GLN A 17 5.741 9.857 0.217 1.00 0.57 C ATOM 235 O GLN A 17 6.478 9.037 -0.338 1.00 0.51 O ATOM 236 CB GLN A 17 6.019 10.702 2.569 1.00 0.86 C ATOM 237 CG GLN A 17 6.228 11.920 3.459 1.00 1.20 C ATOM 238 CD GLN A 17 7.676 12.384 3.528 1.00 1.35 C ATOM 239 OE1 GLN A 17 8.582 11.644 2.895 1.00 2.20 O flip ATOM 240 NE2 GLN A 17 7.979 13.400 4.154 1.00 1.36 N flip ATOM 0 H GLN A 17 5.142 12.681 1.380 1.00 0.73 H new ATOM 0 HA GLN A 17 7.399 10.980 0.952 1.00 0.71 H new ATOM 0 HB2 GLN A 17 4.988 10.362 2.667 1.00 0.86 H new ATOM 0 HB3 GLN A 17 6.657 9.891 2.921 1.00 0.86 H new ATOM 0 HG2 GLN A 17 5.610 12.739 3.091 1.00 1.20 H new ATOM 0 HG3 GLN A 17 5.882 11.687 4.466 1.00 1.20 H new ATOM 0 HE21 GLN A 17 7.256 13.942 4.627 1.00 1.36 H new ATOM 0 HE22 GLN A 17 8.953 13.700 4.200 1.00 1.36 H new ATOM 249 N VAL A 18 4.418 9.840 0.088 1.00 0.57 N ATOM 250 CA VAL A 18 3.751 8.838 -0.735 1.00 0.53 C ATOM 251 C VAL A 18 4.384 8.790 -2.125 1.00 0.49 C ATOM 252 O VAL A 18 4.574 7.715 -2.695 1.00 0.51 O ATOM 253 CB VAL A 18 2.239 9.120 -0.866 1.00 0.62 C ATOM 254 CG1 VAL A 18 1.994 10.464 -1.533 1.00 1.10 C ATOM 255 CG2 VAL A 18 1.551 8.003 -1.638 1.00 1.25 C ATOM 0 H VAL A 18 3.790 10.505 0.540 1.00 0.57 H new ATOM 0 HA VAL A 18 3.875 7.874 -0.241 1.00 0.53 H new ATOM 0 HB VAL A 18 1.812 9.158 0.136 1.00 0.62 H new ATOM 0 HG11 VAL A 18 0.921 10.640 -1.614 1.00 1.10 H new ATOM 0 HG12 VAL A 18 2.447 11.255 -0.935 1.00 1.10 H new ATOM 0 HG13 VAL A 18 2.437 10.462 -2.529 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.486 8.220 -1.720 1.00 1.25 H new ATOM 0 HG22 VAL A 18 1.984 7.930 -2.636 1.00 1.25 H new ATOM 0 HG23 VAL A 18 1.690 7.058 -1.112 1.00 1.25 H new ATOM 265 N ASN A 19 4.725 9.966 -2.655 1.00 0.52 N ATOM 266 CA ASN A 19 5.355 10.063 -3.967 1.00 0.57 C ATOM 267 C ASN A 19 6.717 9.382 -3.958 1.00 0.50 C ATOM 268 O ASN A 19 7.129 8.798 -4.960 1.00 0.52 O ATOM 269 CB ASN A 19 5.506 11.528 -4.387 1.00 0.72 C ATOM 270 CG ASN A 19 4.181 12.193 -4.715 1.00 1.26 C ATOM 271 OD1 ASN A 19 3.084 11.453 -4.586 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 4.142 13.368 -5.080 1.00 1.71 N flip ATOM 0 H ASN A 19 4.574 10.863 -2.193 1.00 0.52 H new ATOM 0 HA ASN A 19 4.714 9.557 -4.688 1.00 0.57 H new ATOM 0 HB2 ASN A 19 5.995 12.081 -3.585 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.160 11.585 -5.257 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.006 13.904 -5.167 1.00 1.71 H new ATOM 0 HD22 ASN A 19 3.246 13.806 -5.295 1.00 1.71 H new ATOM 279 N ALA A 20 7.409 9.453 -2.820 1.00 0.49 N ATOM 280 CA ALA A 20 8.721 8.826 -2.688 1.00 0.49 C ATOM 281 C ALA A 20 8.650 7.381 -3.156 1.00 0.42 C ATOM 282 O ALA A 20 9.431 6.950 -4.002 1.00 0.48 O ATOM 283 CB ALA A 20 9.210 8.901 -1.250 1.00 0.57 C ATOM 0 H ALA A 20 7.084 9.936 -1.982 1.00 0.49 H new ATOM 0 HA ALA A 20 9.433 9.365 -3.313 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.189 8.428 -1.174 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.286 9.945 -0.946 1.00 0.57 H new ATOM 0 HB3 ALA A 20 8.505 8.384 -0.599 1.00 0.57 H new ATOM 289 N ALA A 21 7.684 6.644 -2.623 1.00 0.41 N ATOM 290 CA ALA A 21 7.494 5.252 -3.022 1.00 0.45 C ATOM 291 C ALA A 21 7.042 5.201 -4.474 1.00 0.36 C ATOM 292 O ALA A 21 7.453 4.330 -5.238 1.00 0.40 O ATOM 293 CB ALA A 21 6.471 4.557 -2.140 1.00 0.64 C ATOM 0 H ALA A 21 7.025 6.980 -1.921 1.00 0.41 H new ATOM 0 HA ALA A 21 8.444 4.730 -2.908 1.00 0.45 H new ATOM 0 HB1 ALA A 21 6.354 3.523 -2.464 1.00 0.64 H new ATOM 0 HB2 ALA A 21 6.810 4.576 -1.104 1.00 0.64 H new ATOM 0 HB3 ALA A 21 5.514 5.072 -2.218 1.00 0.64 H new ATOM 299 N LEU A 22 6.198 6.163 -4.840 1.00 0.40 N ATOM 300 CA LEU A 22 5.682 6.271 -6.197 1.00 0.47 C ATOM 301 C LEU A 22 6.826 6.525 -7.172 1.00 0.44 C ATOM 302 O LEU A 22 6.682 6.358 -8.382 1.00 0.53 O ATOM 303 CB LEU A 22 4.655 7.405 -6.276 1.00 0.64 C ATOM 304 CG LEU A 22 3.366 7.171 -5.483 1.00 1.16 C ATOM 305 CD1 LEU A 22 2.447 8.375 -5.598 1.00 1.74 C ATOM 306 CD2 LEU A 22 2.663 5.912 -5.971 1.00 1.73 C ATOM 0 H LEU A 22 5.856 6.885 -4.206 1.00 0.40 H new ATOM 0 HA LEU A 22 5.194 5.335 -6.468 1.00 0.47 H new ATOM 0 HB2 LEU A 22 5.122 8.323 -5.918 1.00 0.64 H new ATOM 0 HB3 LEU A 22 4.395 7.567 -7.322 1.00 0.64 H new ATOM 0 HG LEU A 22 3.625 7.035 -4.433 1.00 1.16 H new ATOM 0 HD11 LEU A 22 1.535 8.193 -5.029 1.00 1.74 H new ATOM 0 HD12 LEU A 22 2.951 9.257 -5.203 1.00 1.74 H new ATOM 0 HD13 LEU A 22 2.194 8.541 -6.645 1.00 1.74 H new ATOM 0 HD21 LEU A 22 1.749 5.760 -5.397 1.00 1.73 H new ATOM 0 HD22 LEU A 22 2.415 6.020 -7.027 1.00 1.73 H new ATOM 0 HD23 LEU A 22 3.321 5.053 -5.839 1.00 1.73 H new ATOM 318 N LYS A 23 7.964 6.921 -6.618 1.00 0.43 N ATOM 319 CA LYS A 23 9.159 7.195 -7.398 1.00 0.52 C ATOM 320 C LYS A 23 9.888 5.893 -7.719 1.00 0.47 C ATOM 321 O LYS A 23 10.343 5.685 -8.845 1.00 0.56 O ATOM 322 CB LYS A 23 10.066 8.147 -6.617 1.00 0.61 C ATOM 323 CG LYS A 23 11.449 8.335 -7.214 1.00 1.13 C ATOM 324 CD LYS A 23 12.335 9.155 -6.288 1.00 1.51 C ATOM 325 CE LYS A 23 12.000 10.641 -6.340 1.00 2.12 C ATOM 326 NZ LYS A 23 10.642 10.933 -5.802 1.00 2.74 N ATOM 0 H LYS A 23 8.083 7.061 -5.615 1.00 0.43 H new ATOM 0 HA LYS A 23 8.880 7.667 -8.340 1.00 0.52 H new ATOM 0 HB2 LYS A 23 9.578 9.119 -6.550 1.00 0.61 H new ATOM 0 HB3 LYS A 23 10.172 7.773 -5.599 1.00 0.61 H new ATOM 0 HG2 LYS A 23 11.907 7.362 -7.394 1.00 1.13 H new ATOM 0 HG3 LYS A 23 11.367 8.833 -8.180 1.00 1.13 H new ATOM 0 HD2 LYS A 23 12.222 8.794 -5.266 1.00 1.51 H new ATOM 0 HD3 LYS A 23 13.379 9.010 -6.564 1.00 1.51 H new ATOM 0 HE2 LYS A 23 12.742 11.199 -5.769 1.00 2.12 H new ATOM 0 HE3 LYS A 23 12.063 10.990 -7.371 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 10.657 11.842 -5.297 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 9.961 10.984 -6.587 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 10.358 10.177 -5.147 1.00 2.74 H new ATOM 340 N ALA A 24 9.980 5.013 -6.723 1.00 0.40 N ATOM 341 CA ALA A 24 10.634 3.722 -6.897 1.00 0.43 C ATOM 342 C ALA A 24 9.674 2.718 -7.519 1.00 0.38 C ATOM 343 O ALA A 24 10.096 1.716 -8.094 1.00 0.46 O ATOM 344 CB ALA A 24 11.153 3.207 -5.562 1.00 0.51 C ATOM 0 H ALA A 24 9.608 5.173 -5.787 1.00 0.40 H new ATOM 0 HA ALA A 24 11.481 3.851 -7.571 1.00 0.43 H new ATOM 0 HB1 ALA A 24 11.639 2.242 -5.708 1.00 0.51 H new ATOM 0 HB2 ALA A 24 11.872 3.917 -5.153 1.00 0.51 H new ATOM 0 HB3 ALA A 24 10.321 3.093 -4.868 1.00 0.51 H new ATOM 350 N LEU A 25 8.380 3.004 -7.406 1.00 0.43 N ATOM 351 CA LEU A 25 7.352 2.136 -7.966 1.00 0.40 C ATOM 352 C LEU A 25 7.120 2.482 -9.431 1.00 0.37 C ATOM 353 O LEU A 25 7.015 1.596 -10.277 1.00 0.45 O ATOM 354 CB LEU A 25 6.051 2.265 -7.167 1.00 0.47 C ATOM 355 CG LEU A 25 4.942 1.281 -7.541 1.00 0.56 C ATOM 356 CD1 LEU A 25 3.911 1.222 -6.432 1.00 0.96 C ATOM 357 CD2 LEU A 25 4.276 1.681 -8.843 1.00 1.04 C ATOM 0 H LEU A 25 8.019 3.831 -6.931 1.00 0.43 H new ATOM 0 HA LEU A 25 7.690 1.102 -7.902 1.00 0.40 H new ATOM 0 HB2 LEU A 25 6.282 2.139 -6.109 1.00 0.47 H new ATOM 0 HB3 LEU A 25 5.669 3.278 -7.291 1.00 0.47 H new ATOM 0 HG LEU A 25 5.389 0.296 -7.674 1.00 0.56 H new ATOM 0 HD11 LEU A 25 3.123 0.519 -6.704 1.00 0.96 H new ATOM 0 HD12 LEU A 25 4.388 0.893 -5.509 1.00 0.96 H new ATOM 0 HD13 LEU A 25 3.479 2.212 -6.284 1.00 0.96 H new ATOM 0 HD21 LEU A 25 3.491 0.964 -9.085 1.00 1.04 H new ATOM 0 HD22 LEU A 25 3.840 2.675 -8.739 1.00 1.04 H new ATOM 0 HD23 LEU A 25 5.017 1.692 -9.642 1.00 1.04 H new ATOM 369 N GLY A 26 7.052 3.779 -9.724 1.00 0.43 N ATOM 370 CA GLY A 26 6.854 4.213 -11.091 1.00 0.53 C ATOM 371 C GLY A 26 7.869 3.575 -12.012 1.00 0.56 C ATOM 372 O GLY A 26 7.542 3.155 -13.122 1.00 0.82 O ATOM 0 H GLY A 26 7.130 4.532 -9.040 1.00 0.43 H new ATOM 0 HA2 GLY A 26 5.847 3.953 -11.417 1.00 0.53 H new ATOM 0 HA3 GLY A 26 6.937 5.298 -11.148 1.00 0.53 H new ATOM 376 N ASP A 27 9.103 3.478 -11.527 1.00 0.59 N ATOM 377 CA ASP A 27 10.176 2.858 -12.288 1.00 0.76 C ATOM 378 C ASP A 27 10.928 1.851 -11.424 1.00 0.56 C ATOM 379 O ASP A 27 11.777 2.217 -10.611 1.00 0.81 O ATOM 380 CB ASP A 27 11.132 3.925 -12.815 1.00 1.35 C ATOM 381 CG ASP A 27 12.261 3.338 -13.638 1.00 2.02 C ATOM 382 OD1 ASP A 27 11.972 2.691 -14.668 1.00 2.42 O ATOM 383 OD2 ASP A 27 13.434 3.523 -13.255 1.00 2.61 O ATOM 0 H ASP A 27 9.382 3.822 -10.608 1.00 0.59 H new ATOM 0 HA ASP A 27 9.742 2.328 -13.136 1.00 0.76 H new ATOM 0 HB2 ASP A 27 10.576 4.638 -13.424 1.00 1.35 H new ATOM 0 HB3 ASP A 27 11.550 4.481 -11.975 1.00 1.35 H new ATOM 388 N ILE A 28 10.608 0.580 -11.618 1.00 0.51 N ATOM 389 CA ILE A 28 11.238 -0.508 -10.881 1.00 0.51 C ATOM 390 C ILE A 28 12.081 -1.354 -11.845 1.00 0.49 C ATOM 391 O ILE A 28 11.774 -1.400 -13.036 1.00 0.48 O ATOM 392 CB ILE A 28 10.160 -1.377 -10.187 1.00 0.71 C ATOM 393 CG1 ILE A 28 8.963 -0.501 -9.804 1.00 0.82 C ATOM 394 CG2 ILE A 28 10.716 -2.059 -8.947 1.00 0.83 C ATOM 395 CD1 ILE A 28 7.933 -1.202 -8.944 1.00 1.26 C ATOM 0 H ILE A 28 9.905 0.273 -12.290 1.00 0.51 H new ATOM 0 HA ILE A 28 11.889 -0.097 -10.110 1.00 0.51 H new ATOM 0 HB ILE A 28 9.843 -2.151 -10.886 1.00 0.71 H new ATOM 0 HG12 ILE A 28 9.326 0.379 -9.273 1.00 0.82 H new ATOM 0 HG13 ILE A 28 8.480 -0.147 -10.715 1.00 0.82 H new ATOM 0 HG21 ILE A 28 9.936 -2.661 -8.482 1.00 0.83 H new ATOM 0 HG22 ILE A 28 11.551 -2.701 -9.228 1.00 0.83 H new ATOM 0 HG23 ILE A 28 11.061 -1.304 -8.240 1.00 0.83 H new ATOM 0 HD11 ILE A 28 7.119 -0.514 -8.717 1.00 1.26 H new ATOM 0 HD12 ILE A 28 7.539 -2.066 -9.479 1.00 1.26 H new ATOM 0 HD13 ILE A 28 8.398 -1.532 -8.015 1.00 1.26 H new ATOM 407 N PRO A 29 13.159 -2.017 -11.365 1.00 0.68 N ATOM 408 CA PRO A 29 14.037 -2.835 -12.207 1.00 0.83 C ATOM 409 C PRO A 29 13.342 -3.496 -13.402 1.00 0.70 C ATOM 410 O PRO A 29 13.903 -3.537 -14.497 1.00 0.88 O ATOM 411 CB PRO A 29 14.525 -3.877 -11.216 1.00 1.07 C ATOM 412 CG PRO A 29 14.690 -3.111 -9.946 1.00 1.14 C ATOM 413 CD PRO A 29 13.642 -2.018 -9.964 1.00 0.87 C ATOM 0 HA PRO A 29 14.816 -2.239 -12.683 1.00 0.83 H new ATOM 0 HB2 PRO A 29 13.807 -4.689 -11.103 1.00 1.07 H new ATOM 0 HB3 PRO A 29 15.465 -4.326 -11.538 1.00 1.07 H new ATOM 0 HG2 PRO A 29 14.558 -3.761 -9.081 1.00 1.14 H new ATOM 0 HG3 PRO A 29 15.692 -2.687 -9.876 1.00 1.14 H new ATOM 0 HD2 PRO A 29 12.834 -2.226 -9.262 1.00 0.87 H new ATOM 0 HD3 PRO A 29 14.065 -1.053 -9.686 1.00 0.87 H new ATOM 421 N GLU A 30 12.134 -4.019 -13.197 1.00 0.54 N ATOM 422 CA GLU A 30 11.407 -4.676 -14.283 1.00 0.58 C ATOM 423 C GLU A 30 9.907 -4.383 -14.229 1.00 0.60 C ATOM 424 O GLU A 30 9.199 -4.569 -15.219 1.00 1.01 O ATOM 425 CB GLU A 30 11.637 -6.189 -14.237 1.00 0.62 C ATOM 426 CG GLU A 30 13.093 -6.592 -14.410 1.00 0.63 C ATOM 427 CD GLU A 30 13.290 -8.094 -14.356 1.00 1.39 C ATOM 428 OE1 GLU A 30 12.956 -8.700 -13.319 1.00 2.35 O ATOM 429 OE2 GLU A 30 13.782 -8.663 -15.354 1.00 1.66 O ATOM 0 H GLU A 30 11.643 -4.002 -12.303 1.00 0.54 H new ATOM 0 HA GLU A 30 11.794 -4.273 -15.219 1.00 0.58 H new ATOM 0 HB2 GLU A 30 11.274 -6.574 -13.284 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.043 -6.662 -15.019 1.00 0.62 H new ATOM 0 HG2 GLU A 30 13.460 -6.215 -15.364 1.00 0.63 H new ATOM 0 HG3 GLU A 30 13.692 -6.122 -13.630 1.00 0.63 H new ATOM 436 N SER A 31 9.423 -3.937 -13.075 1.00 0.36 N ATOM 437 CA SER A 31 8.000 -3.636 -12.905 1.00 0.34 C ATOM 438 C SER A 31 7.555 -2.491 -13.815 1.00 0.36 C ATOM 439 O SER A 31 8.347 -1.967 -14.599 1.00 0.46 O ATOM 440 CB SER A 31 7.708 -3.281 -11.451 1.00 0.37 C ATOM 441 OG SER A 31 8.222 -4.264 -10.572 1.00 0.83 O ATOM 0 H SER A 31 9.991 -3.775 -12.243 1.00 0.36 H new ATOM 0 HA SER A 31 7.438 -4.528 -13.183 1.00 0.34 H new ATOM 0 HB2 SER A 31 8.148 -2.312 -11.215 1.00 0.37 H new ATOM 0 HB3 SER A 31 6.632 -3.186 -11.306 1.00 0.37 H new ATOM 0 HG SER A 31 8.749 -3.830 -9.868 1.00 0.83 H new ATOM 447 N HIS A 32 6.280 -2.104 -13.702 1.00 0.33 N ATOM 448 CA HIS A 32 5.737 -1.015 -14.516 1.00 0.39 C ATOM 449 C HIS A 32 4.381 -0.545 -13.995 1.00 0.34 C ATOM 450 O HIS A 32 3.428 -1.319 -13.910 1.00 0.36 O ATOM 451 CB HIS A 32 5.615 -1.445 -15.978 1.00 0.51 C ATOM 452 CG HIS A 32 4.961 -0.422 -16.854 1.00 0.94 C ATOM 453 ND1 HIS A 32 5.470 0.847 -17.040 1.00 1.83 N ATOM 454 CD2 HIS A 32 3.834 -0.485 -17.601 1.00 1.60 C ATOM 455 CE1 HIS A 32 4.683 1.518 -17.862 1.00 2.29 C ATOM 456 NE2 HIS A 32 3.685 0.732 -18.216 1.00 2.07 N ATOM 0 H HIS A 32 5.610 -2.526 -13.059 1.00 0.33 H new ATOM 0 HA HIS A 32 6.433 -0.179 -14.447 1.00 0.39 H new ATOM 0 HB2 HIS A 32 6.610 -1.662 -16.368 1.00 0.51 H new ATOM 0 HB3 HIS A 32 5.044 -2.372 -16.028 1.00 0.51 H new ATOM 0 HD2 HIS A 32 3.175 -1.335 -17.695 1.00 1.60 H new ATOM 0 HE1 HIS A 32 4.832 2.537 -18.188 1.00 2.29 H new ATOM 0 HE2 HIS A 32 2.925 0.988 -18.846 1.00 2.07 H new ATOM 465 N ILE A 33 4.323 0.733 -13.646 1.00 0.36 N ATOM 466 CA ILE A 33 3.115 1.363 -13.121 1.00 0.36 C ATOM 467 C ILE A 33 1.883 1.120 -13.995 1.00 0.38 C ATOM 468 O ILE A 33 1.989 0.960 -15.212 1.00 0.50 O ATOM 469 CB ILE A 33 3.350 2.880 -12.957 1.00 0.53 C ATOM 470 CG1 ILE A 33 3.262 3.266 -11.482 1.00 0.58 C ATOM 471 CG2 ILE A 33 2.366 3.699 -13.790 1.00 0.93 C ATOM 472 CD1 ILE A 33 1.880 3.104 -10.886 1.00 1.05 C ATOM 0 H ILE A 33 5.118 1.368 -13.719 1.00 0.36 H new ATOM 0 HA ILE A 33 2.911 0.903 -12.154 1.00 0.36 H new ATOM 0 HB ILE A 33 4.351 3.107 -13.325 1.00 0.53 H new ATOM 0 HG12 ILE A 33 3.965 2.656 -10.915 1.00 0.58 H new ATOM 0 HG13 ILE A 33 3.576 4.304 -11.369 1.00 0.58 H new ATOM 0 HG21 ILE A 33 2.564 4.761 -13.647 1.00 0.93 H new ATOM 0 HG22 ILE A 33 2.483 3.447 -14.844 1.00 0.93 H new ATOM 0 HG23 ILE A 33 1.347 3.475 -13.474 1.00 0.93 H new ATOM 0 HD11 ILE A 33 1.900 3.398 -9.837 1.00 1.05 H new ATOM 0 HD12 ILE A 33 1.174 3.735 -11.427 1.00 1.05 H new ATOM 0 HD13 ILE A 33 1.569 2.062 -10.965 1.00 1.05 H new ATOM 484 N LEU A 34 0.713 1.120 -13.353 1.00 0.38 N ATOM 485 CA LEU A 34 -0.561 0.926 -14.042 1.00 0.50 C ATOM 486 C LEU A 34 -1.678 1.693 -13.340 1.00 0.46 C ATOM 487 O LEU A 34 -2.100 2.756 -13.798 1.00 0.60 O ATOM 488 CB LEU A 34 -0.934 -0.556 -14.106 1.00 0.65 C ATOM 489 CG LEU A 34 -0.076 -1.423 -15.027 1.00 1.01 C ATOM 490 CD1 LEU A 34 -0.589 -2.854 -15.013 1.00 1.69 C ATOM 491 CD2 LEU A 34 -0.078 -0.871 -16.444 1.00 1.34 C ATOM 0 H LEU A 34 0.624 1.254 -12.346 1.00 0.38 H new ATOM 0 HA LEU A 34 -0.442 1.306 -15.057 1.00 0.50 H new ATOM 0 HB2 LEU A 34 -0.880 -0.968 -13.098 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -1.972 -0.636 -14.428 1.00 0.65 H new ATOM 0 HG LEU A 34 0.951 -1.410 -14.662 1.00 1.01 H new ATOM 0 HD11 LEU A 34 0.026 -3.468 -15.671 1.00 1.69 H new ATOM 0 HD12 LEU A 34 -0.539 -3.248 -13.998 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -1.622 -2.874 -15.360 1.00 1.69 H new ATOM 0 HD21 LEU A 34 0.539 -1.504 -17.082 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -1.098 -0.855 -16.827 1.00 1.34 H new ATOM 0 HD23 LEU A 34 0.324 0.142 -16.440 1.00 1.34 H new ATOM 503 N THR A 35 -2.160 1.137 -12.228 1.00 0.46 N ATOM 504 CA THR A 35 -3.237 1.755 -11.460 1.00 0.43 C ATOM 505 C THR A 35 -2.748 2.240 -10.098 1.00 0.43 C ATOM 506 O THR A 35 -2.411 1.440 -9.226 1.00 0.52 O ATOM 507 CB THR A 35 -4.388 0.763 -11.272 1.00 0.49 C ATOM 508 OG1 THR A 35 -3.916 -0.453 -10.727 1.00 0.68 O ATOM 509 CG2 THR A 35 -5.116 0.442 -12.558 1.00 0.72 C ATOM 0 H THR A 35 -1.819 0.257 -11.840 1.00 0.46 H new ATOM 0 HA THR A 35 -3.589 2.620 -12.022 1.00 0.43 H new ATOM 0 HB THR A 35 -5.086 1.253 -10.593 1.00 0.49 H new ATOM 0 HG1 THR A 35 -3.320 -0.264 -9.972 1.00 0.68 H new ATOM 0 HG21 THR A 35 -5.919 -0.266 -12.354 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.536 1.357 -12.976 1.00 0.72 H new ATOM 0 HG23 THR A 35 -4.418 0.004 -13.271 1.00 0.72 H new ATOM 517 N VAL A 36 -2.730 3.556 -9.921 1.00 0.40 N ATOM 518 CA VAL A 36 -2.303 4.161 -8.664 1.00 0.46 C ATOM 519 C VAL A 36 -3.155 5.382 -8.345 1.00 0.48 C ATOM 520 O VAL A 36 -3.046 6.417 -9.003 1.00 0.56 O ATOM 521 CB VAL A 36 -0.818 4.575 -8.702 1.00 0.58 C ATOM 522 CG1 VAL A 36 -0.525 5.401 -9.942 1.00 1.32 C ATOM 523 CG2 VAL A 36 -0.445 5.350 -7.445 1.00 1.45 C ATOM 0 H VAL A 36 -3.008 4.228 -10.636 1.00 0.40 H new ATOM 0 HA VAL A 36 -2.430 3.408 -7.887 1.00 0.46 H new ATOM 0 HB VAL A 36 -0.212 3.670 -8.740 1.00 0.58 H new ATOM 0 HG11 VAL A 36 0.528 5.683 -9.951 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -0.750 4.814 -10.832 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -1.142 6.300 -9.935 1.00 1.32 H new ATOM 0 HG21 VAL A 36 0.607 5.633 -7.491 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -1.060 6.247 -7.375 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -0.615 4.725 -6.568 1.00 1.45 H new ATOM 533 N SER A 37 -4.012 5.254 -7.338 1.00 0.45 N ATOM 534 CA SER A 37 -4.885 6.356 -6.949 1.00 0.54 C ATOM 535 C SER A 37 -5.682 6.009 -5.695 1.00 0.57 C ATOM 536 O SER A 37 -5.186 5.311 -4.808 1.00 1.08 O ATOM 537 CB SER A 37 -5.836 6.706 -8.097 1.00 0.65 C ATOM 538 OG SER A 37 -6.654 5.601 -8.438 1.00 1.28 O ATOM 0 H SER A 37 -4.121 4.407 -6.781 1.00 0.45 H new ATOM 0 HA SER A 37 -4.260 7.221 -6.726 1.00 0.54 H new ATOM 0 HB2 SER A 37 -6.462 7.551 -7.810 1.00 0.65 H new ATOM 0 HB3 SER A 37 -5.260 7.018 -8.968 1.00 0.65 H new ATOM 0 HG SER A 37 -7.253 5.852 -9.172 1.00 1.28 H new ATOM 544 N SER A 38 -6.915 6.506 -5.627 1.00 0.59 N ATOM 545 CA SER A 38 -7.778 6.256 -4.483 1.00 0.59 C ATOM 546 C SER A 38 -7.108 6.732 -3.200 1.00 0.52 C ATOM 547 O SER A 38 -6.836 5.940 -2.303 1.00 0.63 O ATOM 548 CB SER A 38 -8.115 4.763 -4.384 1.00 0.78 C ATOM 549 OG SER A 38 -8.764 4.310 -5.560 1.00 1.68 O ATOM 0 H SER A 38 -7.336 7.085 -6.354 1.00 0.59 H new ATOM 0 HA SER A 38 -8.705 6.813 -4.620 1.00 0.59 H new ATOM 0 HB2 SER A 38 -7.201 4.190 -4.225 1.00 0.78 H new ATOM 0 HB3 SER A 38 -8.756 4.588 -3.520 1.00 0.78 H new ATOM 0 HG SER A 38 -9.712 4.558 -5.527 1.00 1.68 H new ATOM 555 N PHE A 39 -6.843 8.036 -3.117 1.00 0.44 N ATOM 556 CA PHE A 39 -6.208 8.604 -1.933 1.00 0.50 C ATOM 557 C PHE A 39 -7.196 8.617 -0.779 1.00 0.57 C ATOM 558 O PHE A 39 -7.890 9.606 -0.543 1.00 0.75 O ATOM 559 CB PHE A 39 -5.689 10.017 -2.205 1.00 0.59 C ATOM 560 CG PHE A 39 -4.606 10.076 -3.247 1.00 0.59 C ATOM 561 CD1 PHE A 39 -4.855 9.656 -4.544 1.00 0.65 C ATOM 562 CD2 PHE A 39 -3.339 10.543 -2.931 1.00 0.83 C ATOM 563 CE1 PHE A 39 -3.865 9.702 -5.506 1.00 0.98 C ATOM 564 CE2 PHE A 39 -2.344 10.592 -3.889 1.00 1.19 C ATOM 565 CZ PHE A 39 -2.599 10.202 -5.168 1.00 1.26 C ATOM 0 H PHE A 39 -7.057 8.712 -3.850 1.00 0.44 H new ATOM 0 HA PHE A 39 -5.353 7.982 -1.670 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -6.521 10.645 -2.524 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -5.309 10.440 -1.275 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -5.836 9.288 -4.806 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -3.127 10.872 -1.924 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -4.064 9.356 -6.510 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -1.358 10.942 -3.621 1.00 1.19 H new ATOM 0 HZ PHE A 39 -1.828 10.277 -5.921 1.00 1.26 H new ATOM 575 N TYR A 40 -7.260 7.498 -0.081 1.00 0.65 N ATOM 576 CA TYR A 40 -8.172 7.342 1.042 1.00 0.81 C ATOM 577 C TYR A 40 -7.573 7.904 2.323 1.00 0.71 C ATOM 578 O TYR A 40 -6.354 7.962 2.484 1.00 0.71 O ATOM 579 CB TYR A 40 -8.512 5.864 1.218 1.00 1.01 C ATOM 580 CG TYR A 40 -7.287 4.990 1.325 1.00 1.49 C ATOM 581 CD1 TYR A 40 -6.681 4.479 0.188 1.00 1.73 C ATOM 582 CD2 TYR A 40 -6.732 4.685 2.556 1.00 2.39 C ATOM 583 CE1 TYR A 40 -5.553 3.688 0.274 1.00 2.61 C ATOM 584 CE2 TYR A 40 -5.606 3.892 2.648 1.00 3.35 C ATOM 585 CZ TYR A 40 -5.021 3.398 1.503 1.00 3.41 C ATOM 586 OH TYR A 40 -3.895 2.613 1.596 1.00 4.43 O ATOM 0 H TYR A 40 -6.687 6.676 -0.273 1.00 0.65 H new ATOM 0 HA TYR A 40 -9.082 7.903 0.831 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -9.120 5.740 2.114 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -9.117 5.532 0.374 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -7.099 4.704 -0.782 1.00 1.73 H new ATOM 0 HD2 TYR A 40 -7.186 5.073 3.456 1.00 2.39 H new ATOM 0 HE1 TYR A 40 -5.092 3.300 -0.622 1.00 2.61 H new ATOM 0 HE2 TYR A 40 -5.185 3.660 3.615 1.00 3.35 H new ATOM 0 HH TYR A 40 -3.934 2.081 2.418 1.00 4.43 H new ATOM 596 N ARG A 41 -8.449 8.314 3.229 1.00 0.70 N ATOM 597 CA ARG A 41 -8.032 8.872 4.508 1.00 0.67 C ATOM 598 C ARG A 41 -7.786 7.751 5.511 1.00 0.64 C ATOM 599 O ARG A 41 -8.674 6.934 5.761 1.00 0.70 O ATOM 600 CB ARG A 41 -9.115 9.823 5.026 1.00 0.79 C ATOM 601 CG ARG A 41 -8.705 10.606 6.259 1.00 0.95 C ATOM 602 CD ARG A 41 -9.817 11.527 6.732 1.00 1.52 C ATOM 603 NE ARG A 41 -11.010 10.786 7.132 1.00 2.11 N ATOM 604 CZ ARG A 41 -12.119 11.362 7.582 1.00 2.49 C ATOM 605 NH1 ARG A 41 -12.190 12.684 7.683 1.00 2.37 N ATOM 606 NH2 ARG A 41 -13.159 10.619 7.930 1.00 3.51 N ATOM 0 H ARG A 41 -9.460 8.270 3.101 1.00 0.70 H new ATOM 0 HA ARG A 41 -7.103 9.427 4.376 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -9.379 10.523 4.234 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -10.012 9.247 5.255 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -8.440 9.914 7.059 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -7.814 11.194 6.038 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -9.461 12.122 7.573 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -10.074 12.224 5.934 1.00 1.52 H new ATOM 0 HE ARG A 41 -10.991 9.769 7.062 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -11.392 13.260 7.415 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -13.043 13.124 8.029 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -13.109 9.603 7.853 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -14.010 11.063 8.275 1.00 3.51 H new ATOM 620 N THR A 42 -6.589 7.708 6.090 1.00 0.80 N ATOM 621 CA THR A 42 -6.280 6.656 7.071 1.00 0.97 C ATOM 622 C THR A 42 -5.891 7.257 8.417 1.00 1.03 C ATOM 623 O THR A 42 -4.732 7.620 8.636 1.00 1.12 O ATOM 624 CB THR A 42 -5.152 5.760 6.556 1.00 1.17 C ATOM 625 OG1 THR A 42 -5.507 5.170 5.321 1.00 1.44 O ATOM 626 CG2 THR A 42 -4.790 4.641 7.509 1.00 1.32 C ATOM 0 H THR A 42 -5.832 8.367 5.908 1.00 0.80 H new ATOM 0 HA THR A 42 -7.179 6.055 7.209 1.00 0.97 H new ATOM 0 HB THR A 42 -4.289 6.417 6.449 1.00 1.17 H new ATOM 0 HG1 THR A 42 -5.088 5.668 4.588 1.00 1.44 H new ATOM 0 HG21 THR A 42 -3.984 4.045 7.081 1.00 1.32 H new ATOM 0 HG22 THR A 42 -4.464 5.064 8.459 1.00 1.32 H new ATOM 0 HG23 THR A 42 -5.661 4.007 7.674 1.00 1.32 H new ATOM 634 N PRO A 43 -6.859 7.364 9.345 1.00 1.12 N ATOM 635 CA PRO A 43 -6.611 7.934 10.671 1.00 1.31 C ATOM 636 C PRO A 43 -5.572 7.145 11.455 1.00 1.50 C ATOM 637 O PRO A 43 -5.625 5.915 11.502 1.00 1.71 O ATOM 638 CB PRO A 43 -7.977 7.868 11.366 1.00 1.48 C ATOM 639 CG PRO A 43 -8.773 6.878 10.582 1.00 1.38 C ATOM 640 CD PRO A 43 -8.265 6.952 9.172 1.00 1.15 C ATOM 0 HA PRO A 43 -6.210 8.945 10.604 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -7.874 7.555 12.405 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -8.462 8.844 11.373 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -8.652 5.873 10.987 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -9.837 7.113 10.625 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -8.344 5.991 8.664 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -8.827 7.673 8.578 1.00 1.15 H new ATOM 648 N PRO A 44 -4.607 7.838 12.089 1.00 1.55 N ATOM 649 CA PRO A 44 -3.566 7.181 12.873 1.00 1.80 C ATOM 650 C PRO A 44 -4.167 6.335 13.991 1.00 2.15 C ATOM 651 O PRO A 44 -4.149 5.105 13.933 1.00 2.77 O ATOM 652 CB PRO A 44 -2.752 8.341 13.451 1.00 1.80 C ATOM 653 CG PRO A 44 -3.040 9.493 12.552 1.00 1.81 C ATOM 654 CD PRO A 44 -4.458 9.303 12.103 1.00 1.54 C ATOM 0 HA PRO A 44 -2.964 6.498 12.274 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -3.046 8.558 14.478 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -1.687 8.108 13.467 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -2.918 10.441 13.076 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -2.358 9.508 11.702 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -5.164 9.774 12.786 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -4.631 9.736 11.118 1.00 1.54 H new ATOM 662 N LEU A 45 -4.723 7.016 14.994 1.00 2.16 N ATOM 663 CA LEU A 45 -5.368 6.361 16.132 1.00 2.52 C ATOM 664 C LEU A 45 -4.585 5.141 16.613 1.00 2.69 C ATOM 665 O LEU A 45 -4.911 4.005 16.266 1.00 3.09 O ATOM 666 CB LEU A 45 -6.801 5.954 15.767 1.00 2.75 C ATOM 667 CG LEU A 45 -7.820 7.099 15.710 1.00 3.05 C ATOM 668 CD1 LEU A 45 -7.382 8.175 14.727 1.00 3.66 C ATOM 669 CD2 LEU A 45 -9.194 6.566 15.333 1.00 3.32 C ATOM 0 H LEU A 45 -4.739 8.035 15.040 1.00 2.16 H new ATOM 0 HA LEU A 45 -5.390 7.081 16.950 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -6.783 5.459 14.796 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -7.147 5.219 16.494 1.00 2.75 H new ATOM 0 HG LEU A 45 -7.877 7.550 16.701 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -8.123 8.974 14.708 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -6.419 8.581 15.037 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -7.289 7.742 13.731 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -9.907 7.390 15.297 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -9.143 6.087 14.355 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -9.519 5.838 16.077 1.00 3.32 H new ATOM 681 N GLY A 46 -3.559 5.382 17.421 1.00 2.52 N ATOM 682 CA GLY A 46 -2.754 4.297 17.945 1.00 2.73 C ATOM 683 C GLY A 46 -1.270 4.604 17.893 1.00 2.68 C ATOM 684 O GLY A 46 -0.651 4.850 18.928 1.00 2.81 O ATOM 0 H GLY A 46 -3.270 6.313 17.723 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -3.045 4.097 18.976 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -2.955 3.390 17.375 1.00 2.73 H new ATOM 688 N PRO A 47 -0.666 4.589 16.695 1.00 2.59 N ATOM 689 CA PRO A 47 0.758 4.863 16.525 1.00 2.65 C ATOM 690 C PRO A 47 1.071 6.354 16.461 1.00 2.60 C ATOM 691 O PRO A 47 2.174 6.778 16.807 1.00 2.86 O ATOM 692 CB PRO A 47 1.061 4.195 15.189 1.00 2.59 C ATOM 693 CG PRO A 47 -0.194 4.358 14.404 1.00 2.63 C ATOM 694 CD PRO A 47 -1.323 4.295 15.403 1.00 2.54 C ATOM 0 HA PRO A 47 1.353 4.496 17.361 1.00 2.65 H new ATOM 0 HB2 PRO A 47 1.907 4.668 14.690 1.00 2.59 H new ATOM 0 HB3 PRO A 47 1.315 3.143 15.319 1.00 2.59 H new ATOM 0 HG2 PRO A 47 -0.199 5.308 13.870 1.00 2.63 H new ATOM 0 HG3 PRO A 47 -0.291 3.571 13.656 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -2.101 5.024 15.175 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -1.798 3.314 15.409 1.00 2.54 H new ATOM 702 N GLN A 48 0.102 7.145 16.010 1.00 2.39 N ATOM 703 CA GLN A 48 0.291 8.585 15.892 1.00 2.50 C ATOM 704 C GLN A 48 -0.885 9.346 16.489 1.00 2.40 C ATOM 705 O GLN A 48 -2.041 8.955 16.326 1.00 2.57 O ATOM 706 CB GLN A 48 0.458 8.966 14.423 1.00 2.56 C ATOM 707 CG GLN A 48 1.580 8.222 13.721 1.00 2.73 C ATOM 708 CD GLN A 48 1.549 8.399 12.214 1.00 2.73 C ATOM 709 OE1 GLN A 48 0.529 9.087 11.712 1.00 3.26 O flip ATOM 710 NE2 GLN A 48 2.431 7.915 11.505 1.00 2.45 N flip ATOM 0 H GLN A 48 -0.819 6.814 15.721 1.00 2.39 H new ATOM 0 HA GLN A 48 1.190 8.856 16.446 1.00 2.50 H new ATOM 0 HB2 GLN A 48 -0.478 8.772 13.898 1.00 2.56 H new ATOM 0 HB3 GLN A 48 0.646 10.037 14.354 1.00 2.56 H new ATOM 0 HG2 GLN A 48 2.538 8.573 14.104 1.00 2.73 H new ATOM 0 HG3 GLN A 48 1.511 7.161 13.959 1.00 2.73 H new ATOM 0 HE21 GLN A 48 3.198 7.393 11.930 1.00 2.45 H new ATOM 0 HE22 GLN A 48 2.395 8.036 10.493 1.00 2.45 H new ATOM 719 N ASP A 49 -0.582 10.441 17.171 1.00 2.45 N ATOM 720 CA ASP A 49 -1.609 11.273 17.782 1.00 2.47 C ATOM 721 C ASP A 49 -1.775 12.565 16.992 1.00 2.38 C ATOM 722 O ASP A 49 -2.340 13.542 17.485 1.00 2.57 O ATOM 723 CB ASP A 49 -1.250 11.587 19.236 1.00 2.79 C ATOM 724 CG ASP A 49 -1.104 10.337 20.083 1.00 2.83 C ATOM 725 OD1 ASP A 49 -1.278 9.227 19.538 1.00 3.28 O ATOM 726 OD2 ASP A 49 -0.816 10.467 21.292 1.00 3.02 O ATOM 0 H ASP A 49 0.371 10.775 17.316 1.00 2.45 H new ATOM 0 HA ASP A 49 -2.552 10.726 17.768 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -0.317 12.151 19.263 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -2.021 12.226 19.667 1.00 2.79 H new ATOM 731 N GLN A 50 -1.269 12.560 15.761 1.00 2.26 N ATOM 732 CA GLN A 50 -1.347 13.729 14.893 1.00 2.39 C ATOM 733 C GLN A 50 -1.959 13.359 13.544 1.00 2.01 C ATOM 734 O GLN A 50 -1.370 12.590 12.782 1.00 2.19 O ATOM 735 CB GLN A 50 0.047 14.324 14.672 1.00 3.08 C ATOM 736 CG GLN A 50 0.876 14.442 15.943 1.00 3.45 C ATOM 737 CD GLN A 50 1.498 13.123 16.378 1.00 3.73 C ATOM 738 OE1 GLN A 50 1.358 12.089 15.556 1.00 4.34 O flip ATOM 739 NE2 GLN A 50 2.112 13.042 17.442 1.00 3.74 N flip ATOM 0 H GLN A 50 -0.800 11.757 15.343 1.00 2.26 H new ATOM 0 HA GLN A 50 -1.982 14.469 15.381 1.00 2.39 H new ATOM 0 HB2 GLN A 50 0.586 13.705 13.955 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -0.057 15.313 14.225 1.00 3.08 H new ATOM 0 HG2 GLN A 50 1.667 15.175 15.786 1.00 3.45 H new ATOM 0 HG3 GLN A 50 0.245 14.821 16.747 1.00 3.45 H new ATOM 0 HE21 GLN A 50 2.197 13.860 18.045 1.00 3.74 H new ATOM 0 HE22 GLN A 50 2.536 12.157 17.720 1.00 3.74 H new ATOM 748 N PRO A 51 -3.150 13.899 13.223 1.00 1.98 N ATOM 749 CA PRO A 51 -3.827 13.614 11.953 1.00 2.00 C ATOM 750 C PRO A 51 -2.909 13.810 10.752 1.00 1.82 C ATOM 751 O PRO A 51 -2.239 14.834 10.625 1.00 2.47 O ATOM 752 CB PRO A 51 -4.971 14.627 11.931 1.00 2.71 C ATOM 753 CG PRO A 51 -5.266 14.874 13.368 1.00 2.89 C ATOM 754 CD PRO A 51 -3.933 14.826 14.065 1.00 2.51 C ATOM 0 HA PRO A 51 -4.158 12.578 11.886 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -4.680 15.545 11.420 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -5.842 14.233 11.407 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -5.748 15.841 13.509 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -5.944 14.119 13.765 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -3.470 15.811 14.118 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -4.026 14.461 15.088 1.00 2.51 H new ATOM 762 N ASP A 52 -2.891 12.814 9.876 1.00 1.32 N ATOM 763 CA ASP A 52 -2.064 12.845 8.675 1.00 1.52 C ATOM 764 C ASP A 52 -2.497 11.737 7.722 1.00 1.28 C ATOM 765 O ASP A 52 -1.812 11.419 6.751 1.00 2.07 O ATOM 766 CB ASP A 52 -0.584 12.707 9.040 1.00 2.12 C ATOM 767 CG ASP A 52 -0.313 11.529 9.957 1.00 2.77 C ATOM 768 OD1 ASP A 52 -1.259 10.769 10.252 1.00 3.33 O ATOM 769 OD2 ASP A 52 0.852 11.365 10.377 1.00 3.26 O ATOM 0 H ASP A 52 -3.447 11.965 9.976 1.00 1.32 H new ATOM 0 HA ASP A 52 -2.197 13.805 8.175 1.00 1.52 H new ATOM 0 HB2 ASP A 52 0.002 12.594 8.128 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -0.247 13.624 9.524 1.00 2.12 H new ATOM 774 N TYR A 53 -3.650 11.163 8.037 1.00 0.84 N ATOM 775 CA TYR A 53 -4.252 10.087 7.271 1.00 1.19 C ATOM 776 C TYR A 53 -4.225 10.319 5.758 1.00 0.96 C ATOM 777 O TYR A 53 -5.112 10.967 5.217 1.00 1.43 O ATOM 778 CB TYR A 53 -5.711 10.008 7.726 1.00 2.08 C ATOM 779 CG TYR A 53 -6.295 11.330 8.197 1.00 3.12 C ATOM 780 CD1 TYR A 53 -6.171 12.473 7.416 1.00 3.74 C ATOM 781 CD2 TYR A 53 -6.964 11.440 9.413 1.00 3.88 C ATOM 782 CE1 TYR A 53 -6.694 13.682 7.829 1.00 4.86 C ATOM 783 CE2 TYR A 53 -7.492 12.647 9.831 1.00 5.03 C ATOM 784 CZ TYR A 53 -7.372 13.740 9.082 1.00 5.45 C ATOM 785 OH TYR A 53 -7.876 14.968 9.451 1.00 6.66 O ATOM 0 H TYR A 53 -4.202 11.440 8.849 1.00 0.84 H new ATOM 0 HA TYR A 53 -3.686 9.173 7.448 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -6.316 9.631 6.901 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -5.788 9.282 8.536 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -5.656 12.414 6.469 1.00 3.74 H new ATOM 0 HD2 TYR A 53 -7.072 10.567 10.040 1.00 3.88 H new ATOM 0 HE1 TYR A 53 -6.592 14.565 7.216 1.00 4.86 H new ATOM 0 HE2 TYR A 53 -8.009 12.704 10.778 1.00 5.03 H new ATOM 0 HH TYR A 53 -8.319 14.892 10.322 1.00 6.66 H new ATOM 795 N LEU A 54 -3.252 9.719 5.066 1.00 0.84 N ATOM 796 CA LEU A 54 -3.174 9.847 3.609 1.00 0.76 C ATOM 797 C LEU A 54 -2.421 8.669 3.000 1.00 0.76 C ATOM 798 O LEU A 54 -1.202 8.569 3.120 1.00 0.98 O ATOM 799 CB LEU A 54 -2.498 11.174 3.232 1.00 0.97 C ATOM 800 CG LEU A 54 -2.491 11.531 1.738 1.00 1.15 C ATOM 801 CD1 LEU A 54 -1.469 10.700 0.976 1.00 1.60 C ATOM 802 CD2 LEU A 54 -3.876 11.348 1.135 1.00 1.60 C ATOM 0 H LEU A 54 -2.518 9.148 5.484 1.00 0.84 H new ATOM 0 HA LEU A 54 -4.187 9.842 3.206 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -2.996 11.978 3.774 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -1.466 11.144 3.582 1.00 0.97 H new ATOM 0 HG LEU A 54 -2.207 12.580 1.650 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -1.489 10.976 -0.078 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -0.474 10.885 1.381 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -1.711 9.642 1.078 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -3.849 11.606 0.076 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -4.187 10.310 1.247 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -4.585 11.997 1.649 1.00 1.60 H new ATOM 814 N ASN A 55 -3.157 7.774 2.349 1.00 0.60 N ATOM 815 CA ASN A 55 -2.557 6.598 1.731 1.00 0.66 C ATOM 816 C ASN A 55 -3.208 6.304 0.376 1.00 0.50 C ATOM 817 O ASN A 55 -4.238 6.892 0.031 1.00 0.56 O ATOM 818 CB ASN A 55 -2.703 5.387 2.656 1.00 0.87 C ATOM 819 CG ASN A 55 -2.346 5.682 4.104 1.00 1.51 C ATOM 820 OD1 ASN A 55 -2.862 6.623 4.707 1.00 2.21 O ATOM 821 ND2 ASN A 55 -1.482 4.857 4.683 1.00 2.21 N ATOM 0 H ASN A 55 -4.169 7.841 2.236 1.00 0.60 H new ATOM 0 HA ASN A 55 -1.498 6.798 1.568 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -3.731 5.027 2.610 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -2.066 4.582 2.290 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -1.225 4.992 5.661 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -1.075 4.088 4.150 1.00 2.21 H new ATOM 828 N ALA A 56 -2.606 5.392 -0.387 1.00 0.50 N ATOM 829 CA ALA A 56 -3.121 5.021 -1.700 1.00 0.45 C ATOM 830 C ALA A 56 -2.813 3.559 -2.023 1.00 0.45 C ATOM 831 O ALA A 56 -2.281 2.822 -1.189 1.00 0.61 O ATOM 832 CB ALA A 56 -2.539 5.933 -2.768 1.00 0.58 C ATOM 0 H ALA A 56 -1.757 4.896 -0.115 1.00 0.50 H new ATOM 0 HA ALA A 56 -4.204 5.139 -1.684 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -2.931 5.646 -3.744 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -2.816 6.966 -2.555 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -1.453 5.842 -2.772 1.00 0.58 H new ATOM 838 N ALA A 57 -3.148 3.147 -3.244 1.00 0.43 N ATOM 839 CA ALA A 57 -2.911 1.778 -3.681 1.00 0.47 C ATOM 840 C ALA A 57 -2.388 1.742 -5.101 1.00 0.40 C ATOM 841 O ALA A 57 -2.713 2.603 -5.920 1.00 0.44 O ATOM 842 CB ALA A 57 -4.180 0.949 -3.564 1.00 0.59 C ATOM 0 H ALA A 57 -3.584 3.744 -3.947 1.00 0.43 H new ATOM 0 HA ALA A 57 -2.152 1.346 -3.028 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -3.981 -0.070 -3.896 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -4.511 0.935 -2.525 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -4.960 1.387 -4.187 1.00 0.59 H new ATOM 848 N VAL A 58 -1.567 0.738 -5.380 1.00 0.39 N ATOM 849 CA VAL A 58 -0.987 0.584 -6.693 1.00 0.39 C ATOM 850 C VAL A 58 -1.008 -0.866 -7.144 1.00 0.40 C ATOM 851 O VAL A 58 -0.737 -1.788 -6.374 1.00 0.60 O ATOM 852 CB VAL A 58 0.470 1.079 -6.736 1.00 0.49 C ATOM 853 CG1 VAL A 58 0.995 1.062 -8.165 1.00 1.11 C ATOM 854 CG2 VAL A 58 0.592 2.468 -6.134 1.00 1.22 C ATOM 0 H VAL A 58 -1.292 0.021 -4.709 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.597 1.189 -7.364 1.00 0.39 H new ATOM 0 HB VAL A 58 1.078 0.401 -6.137 1.00 0.49 H new ATOM 0 HG11 VAL A 58 2.026 1.415 -8.178 1.00 1.11 H new ATOM 0 HG12 VAL A 58 0.954 0.045 -8.555 1.00 1.11 H new ATOM 0 HG13 VAL A 58 0.381 1.714 -8.786 1.00 1.11 H new ATOM 0 HG21 VAL A 58 1.631 2.793 -6.177 1.00 1.22 H new ATOM 0 HG22 VAL A 58 -0.030 3.164 -6.697 1.00 1.22 H new ATOM 0 HG23 VAL A 58 0.262 2.445 -5.095 1.00 1.22 H new ATOM 864 N ALA A 59 -1.298 -1.038 -8.415 1.00 0.34 N ATOM 865 CA ALA A 59 -1.318 -2.347 -9.042 1.00 0.36 C ATOM 866 C ALA A 59 -0.499 -2.271 -10.318 1.00 0.37 C ATOM 867 O ALA A 59 -1.005 -1.879 -11.368 1.00 0.43 O ATOM 868 CB ALA A 59 -2.744 -2.790 -9.335 1.00 0.44 C ATOM 0 H ALA A 59 -1.528 -0.272 -9.048 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.888 -3.088 -8.368 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -2.730 -3.774 -9.805 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -3.308 -2.840 -8.404 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -3.217 -2.074 -10.007 1.00 0.44 H new ATOM 874 N LEU A 60 0.781 -2.601 -10.208 1.00 0.37 N ATOM 875 CA LEU A 60 1.684 -2.516 -11.353 1.00 0.45 C ATOM 876 C LEU A 60 2.220 -3.880 -11.776 1.00 0.39 C ATOM 877 O LEU A 60 2.265 -4.819 -10.983 1.00 0.38 O ATOM 878 CB LEU A 60 2.833 -1.545 -11.026 1.00 0.56 C ATOM 879 CG LEU A 60 4.256 -2.125 -11.036 1.00 0.48 C ATOM 880 CD1 LEU A 60 5.275 -1.005 -10.910 1.00 0.44 C ATOM 881 CD2 LEU A 60 4.453 -3.132 -9.910 1.00 0.98 C ATOM 0 H LEU A 60 1.217 -2.928 -9.346 1.00 0.37 H new ATOM 0 HA LEU A 60 1.117 -2.136 -12.203 1.00 0.45 H new ATOM 0 HB2 LEU A 60 2.796 -0.723 -11.741 1.00 0.56 H new ATOM 0 HB3 LEU A 60 2.647 -1.119 -10.040 1.00 0.56 H new ATOM 0 HG LEU A 60 4.400 -2.644 -11.984 1.00 0.48 H new ATOM 0 HD11 LEU A 60 6.281 -1.425 -10.918 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.163 -0.316 -11.747 1.00 0.44 H new ATOM 0 HD13 LEU A 60 5.113 -0.469 -9.975 1.00 0.44 H new ATOM 0 HD21 LEU A 60 5.470 -3.523 -9.945 1.00 0.98 H new ATOM 0 HD22 LEU A 60 4.286 -2.642 -8.951 1.00 0.98 H new ATOM 0 HD23 LEU A 60 3.745 -3.952 -10.027 1.00 0.98 H new ATOM 893 N GLU A 61 2.643 -3.968 -13.035 1.00 0.39 N ATOM 894 CA GLU A 61 3.197 -5.203 -13.574 1.00 0.38 C ATOM 895 C GLU A 61 4.631 -5.388 -13.109 1.00 0.36 C ATOM 896 O GLU A 61 5.559 -4.891 -13.743 1.00 0.38 O ATOM 897 CB GLU A 61 3.156 -5.195 -15.103 1.00 0.44 C ATOM 898 CG GLU A 61 1.756 -5.067 -15.672 1.00 1.08 C ATOM 899 CD GLU A 61 1.732 -5.119 -17.187 1.00 1.06 C ATOM 900 OE1 GLU A 61 2.371 -4.253 -17.821 1.00 1.24 O ATOM 901 OE2 GLU A 61 1.071 -6.025 -17.739 1.00 1.39 O ATOM 0 H GLU A 61 2.612 -3.196 -13.701 1.00 0.39 H new ATOM 0 HA GLU A 61 2.589 -6.030 -13.208 1.00 0.38 H new ATOM 0 HB2 GLU A 61 3.765 -4.369 -15.470 1.00 0.44 H new ATOM 0 HB3 GLU A 61 3.608 -6.115 -15.475 1.00 0.44 H new ATOM 0 HG2 GLU A 61 1.133 -5.868 -15.275 1.00 1.08 H new ATOM 0 HG3 GLU A 61 1.317 -4.127 -15.338 1.00 1.08 H new ATOM 908 N THR A 62 4.810 -6.098 -12.002 1.00 0.39 N ATOM 909 CA THR A 62 6.141 -6.332 -11.469 1.00 0.43 C ATOM 910 C THR A 62 6.698 -7.656 -11.968 1.00 0.39 C ATOM 911 O THR A 62 6.034 -8.399 -12.690 1.00 0.43 O ATOM 912 CB THR A 62 6.125 -6.321 -9.938 1.00 0.54 C ATOM 913 OG1 THR A 62 7.437 -6.449 -9.419 1.00 1.47 O ATOM 914 CG2 THR A 62 5.294 -7.433 -9.343 1.00 1.02 C ATOM 0 H THR A 62 4.054 -6.518 -11.461 1.00 0.39 H new ATOM 0 HA THR A 62 6.785 -5.525 -11.819 1.00 0.43 H new ATOM 0 HB THR A 62 5.682 -5.364 -9.663 1.00 0.54 H new ATOM 0 HG1 THR A 62 7.874 -5.572 -9.415 1.00 1.47 H new ATOM 0 HG21 THR A 62 5.325 -7.368 -8.255 1.00 1.02 H new ATOM 0 HG22 THR A 62 4.263 -7.339 -9.683 1.00 1.02 H new ATOM 0 HG23 THR A 62 5.694 -8.396 -9.661 1.00 1.02 H new ATOM 922 N SER A 63 7.919 -7.940 -11.554 1.00 0.40 N ATOM 923 CA SER A 63 8.603 -9.172 -11.918 1.00 0.44 C ATOM 924 C SER A 63 9.554 -9.530 -10.797 1.00 0.44 C ATOM 925 O SER A 63 10.307 -10.501 -10.867 1.00 0.64 O ATOM 926 CB SER A 63 9.369 -9.000 -13.232 1.00 0.56 C ATOM 927 OG SER A 63 8.495 -8.667 -14.295 1.00 1.23 O ATOM 0 H SER A 63 8.467 -7.323 -10.955 1.00 0.40 H new ATOM 0 HA SER A 63 7.875 -9.970 -12.064 1.00 0.44 H new ATOM 0 HB2 SER A 63 10.121 -8.219 -13.118 1.00 0.56 H new ATOM 0 HB3 SER A 63 9.900 -9.922 -13.470 1.00 0.56 H new ATOM 0 HG SER A 63 9.011 -8.561 -15.122 1.00 1.23 H new ATOM 933 N LEU A 64 9.498 -8.704 -9.764 1.00 0.39 N ATOM 934 CA LEU A 64 10.320 -8.850 -8.589 1.00 0.38 C ATOM 935 C LEU A 64 9.430 -8.983 -7.367 1.00 0.35 C ATOM 936 O LEU A 64 8.956 -7.981 -6.831 1.00 0.39 O ATOM 937 CB LEU A 64 11.213 -7.619 -8.444 1.00 0.42 C ATOM 938 CG LEU A 64 10.977 -6.515 -9.484 1.00 0.50 C ATOM 939 CD1 LEU A 64 11.626 -5.220 -9.031 1.00 0.78 C ATOM 940 CD2 LEU A 64 11.533 -6.931 -10.838 1.00 0.84 C ATOM 0 H LEU A 64 8.868 -7.903 -9.725 1.00 0.39 H new ATOM 0 HA LEU A 64 10.942 -9.740 -8.681 1.00 0.38 H new ATOM 0 HB2 LEU A 64 11.065 -7.197 -7.450 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.254 -7.936 -8.504 1.00 0.42 H new ATOM 0 HG LEU A 64 9.903 -6.357 -9.582 1.00 0.50 H new ATOM 0 HD11 LEU A 64 11.451 -4.445 -9.777 1.00 0.78 H new ATOM 0 HD12 LEU A 64 11.195 -4.911 -8.079 1.00 0.78 H new ATOM 0 HD13 LEU A 64 12.699 -5.373 -8.911 1.00 0.78 H new ATOM 0 HD21 LEU A 64 11.357 -6.137 -11.563 1.00 0.84 H new ATOM 0 HD22 LEU A 64 12.604 -7.112 -10.751 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.037 -7.843 -11.171 1.00 0.84 H new ATOM 952 N ALA A 65 9.192 -10.221 -6.945 1.00 0.38 N ATOM 953 CA ALA A 65 8.345 -10.491 -5.790 1.00 0.42 C ATOM 954 C ALA A 65 8.544 -9.435 -4.705 1.00 0.39 C ATOM 955 O ALA A 65 9.645 -8.914 -4.545 1.00 0.38 O ATOM 956 CB ALA A 65 8.646 -11.875 -5.243 1.00 0.52 C ATOM 0 H ALA A 65 9.576 -11.056 -7.388 1.00 0.38 H new ATOM 0 HA ALA A 65 7.303 -10.451 -6.109 1.00 0.42 H new ATOM 0 HB1 ALA A 65 8.010 -12.071 -4.380 1.00 0.52 H new ATOM 0 HB2 ALA A 65 8.452 -12.621 -6.014 1.00 0.52 H new ATOM 0 HB3 ALA A 65 9.692 -11.928 -4.942 1.00 0.52 H new ATOM 962 N PRO A 66 7.474 -9.100 -3.949 1.00 0.44 N ATOM 963 CA PRO A 66 7.517 -8.107 -2.882 1.00 0.47 C ATOM 964 C PRO A 66 8.863 -8.018 -2.207 1.00 0.45 C ATOM 965 O PRO A 66 9.318 -6.936 -1.854 1.00 0.49 O ATOM 966 CB PRO A 66 6.483 -8.645 -1.915 1.00 0.55 C ATOM 967 CG PRO A 66 5.430 -9.190 -2.803 1.00 0.57 C ATOM 968 CD PRO A 66 6.121 -9.656 -4.073 1.00 0.50 C ATOM 0 HA PRO A 66 7.331 -7.097 -3.248 1.00 0.47 H new ATOM 0 HB2 PRO A 66 6.901 -9.416 -1.268 1.00 0.55 H new ATOM 0 HB3 PRO A 66 6.094 -7.861 -1.266 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.909 -10.017 -2.321 1.00 0.57 H new ATOM 0 HG3 PRO A 66 4.682 -8.429 -3.027 1.00 0.57 H new ATOM 0 HD2 PRO A 66 6.139 -10.743 -4.145 1.00 0.50 H new ATOM 0 HD3 PRO A 66 5.615 -9.286 -4.965 1.00 0.50 H new ATOM 976 N GLU A 67 9.507 -9.162 -2.037 1.00 0.45 N ATOM 977 CA GLU A 67 10.810 -9.189 -1.417 1.00 0.49 C ATOM 978 C GLU A 67 11.669 -8.087 -2.028 1.00 0.44 C ATOM 979 O GLU A 67 12.131 -7.184 -1.336 1.00 0.47 O ATOM 980 CB GLU A 67 11.458 -10.556 -1.620 1.00 0.52 C ATOM 981 CG GLU A 67 10.584 -11.706 -1.143 1.00 0.71 C ATOM 982 CD GLU A 67 11.207 -13.065 -1.400 1.00 0.77 C ATOM 983 OE1 GLU A 67 12.332 -13.113 -1.940 1.00 1.20 O ATOM 984 OE2 GLU A 67 10.569 -14.084 -1.059 1.00 1.06 O ATOM 0 H GLU A 67 9.147 -10.074 -2.319 1.00 0.45 H new ATOM 0 HA GLU A 67 10.715 -9.017 -0.345 1.00 0.49 H new ATOM 0 HB2 GLU A 67 11.682 -10.692 -2.678 1.00 0.52 H new ATOM 0 HB3 GLU A 67 12.408 -10.584 -1.087 1.00 0.52 H new ATOM 0 HG2 GLU A 67 10.395 -11.594 -0.075 1.00 0.71 H new ATOM 0 HG3 GLU A 67 9.618 -11.654 -1.645 1.00 0.71 H new ATOM 991 N GLU A 68 11.836 -8.157 -3.345 1.00 0.40 N ATOM 992 CA GLU A 68 12.605 -7.167 -4.093 1.00 0.39 C ATOM 993 C GLU A 68 11.848 -5.844 -4.207 1.00 0.35 C ATOM 994 O GLU A 68 12.337 -4.798 -3.778 1.00 0.40 O ATOM 995 CB GLU A 68 12.900 -7.703 -5.493 1.00 0.41 C ATOM 996 CG GLU A 68 13.592 -9.055 -5.496 1.00 0.97 C ATOM 997 CD GLU A 68 14.959 -9.024 -4.835 1.00 1.52 C ATOM 998 OE1 GLU A 68 15.022 -8.738 -3.621 1.00 1.90 O ATOM 999 OE2 GLU A 68 15.963 -9.285 -5.529 1.00 2.06 O ATOM 0 H GLU A 68 11.443 -8.900 -3.923 1.00 0.40 H new ATOM 0 HA GLU A 68 13.536 -6.984 -3.556 1.00 0.39 H new ATOM 0 HB2 GLU A 68 11.964 -7.782 -6.047 1.00 0.41 H new ATOM 0 HB3 GLU A 68 13.524 -6.984 -6.024 1.00 0.41 H new ATOM 0 HG2 GLU A 68 12.962 -9.780 -4.981 1.00 0.97 H new ATOM 0 HG3 GLU A 68 13.700 -9.399 -6.525 1.00 0.97 H new ATOM 1006 N LEU A 69 10.658 -5.902 -4.808 1.00 0.32 N ATOM 1007 CA LEU A 69 9.822 -4.717 -5.008 1.00 0.33 C ATOM 1008 C LEU A 69 9.721 -3.858 -3.746 1.00 0.34 C ATOM 1009 O LEU A 69 10.065 -2.677 -3.770 1.00 0.44 O ATOM 1010 CB LEU A 69 8.427 -5.144 -5.477 1.00 0.38 C ATOM 1011 CG LEU A 69 7.311 -4.120 -5.246 1.00 0.44 C ATOM 1012 CD1 LEU A 69 7.505 -2.906 -6.137 1.00 0.66 C ATOM 1013 CD2 LEU A 69 5.945 -4.751 -5.480 1.00 0.67 C ATOM 0 H LEU A 69 10.249 -6.765 -5.167 1.00 0.32 H new ATOM 0 HA LEU A 69 10.295 -4.102 -5.773 1.00 0.33 H new ATOM 0 HB2 LEU A 69 8.474 -5.370 -6.542 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.159 -6.069 -4.967 1.00 0.38 H new ATOM 0 HG LEU A 69 7.359 -3.790 -4.208 1.00 0.44 H new ATOM 0 HD11 LEU A 69 6.702 -2.191 -5.958 1.00 0.66 H new ATOM 0 HD12 LEU A 69 8.464 -2.439 -5.912 1.00 0.66 H new ATOM 0 HD13 LEU A 69 7.489 -3.215 -7.182 1.00 0.66 H new ATOM 0 HD21 LEU A 69 5.167 -4.007 -5.311 1.00 0.67 H new ATOM 0 HD22 LEU A 69 5.883 -5.114 -6.506 1.00 0.67 H new ATOM 0 HD23 LEU A 69 5.806 -5.584 -4.791 1.00 0.67 H new ATOM 1025 N LEU A 70 9.253 -4.449 -2.648 1.00 0.39 N ATOM 1026 CA LEU A 70 9.121 -3.713 -1.391 1.00 0.47 C ATOM 1027 C LEU A 70 10.429 -3.027 -1.026 1.00 0.44 C ATOM 1028 O LEU A 70 10.434 -1.849 -0.684 1.00 0.47 O ATOM 1029 CB LEU A 70 8.681 -4.630 -0.243 1.00 0.62 C ATOM 1030 CG LEU A 70 7.168 -4.782 -0.063 1.00 0.99 C ATOM 1031 CD1 LEU A 70 6.526 -5.349 -1.317 1.00 1.48 C ATOM 1032 CD2 LEU A 70 6.863 -5.663 1.137 1.00 1.65 C ATOM 0 H LEU A 70 8.961 -5.425 -2.602 1.00 0.39 H new ATOM 0 HA LEU A 70 8.350 -2.957 -1.541 1.00 0.47 H new ATOM 0 HB2 LEU A 70 9.111 -5.618 -0.406 1.00 0.62 H new ATOM 0 HB3 LEU A 70 9.103 -4.248 0.686 1.00 0.62 H new ATOM 0 HG LEU A 70 6.746 -3.793 0.115 1.00 0.99 H new ATOM 0 HD11 LEU A 70 5.451 -5.447 -1.163 1.00 1.48 H new ATOM 0 HD12 LEU A 70 6.713 -4.679 -2.156 1.00 1.48 H new ATOM 0 HD13 LEU A 70 6.953 -6.329 -1.533 1.00 1.48 H new ATOM 0 HD21 LEU A 70 5.783 -5.761 1.251 1.00 1.65 H new ATOM 0 HD22 LEU A 70 7.303 -6.649 0.986 1.00 1.65 H new ATOM 0 HD23 LEU A 70 7.284 -5.212 2.036 1.00 1.65 H new ATOM 1044 N ASN A 71 11.537 -3.763 -1.102 1.00 0.46 N ATOM 1045 CA ASN A 71 12.842 -3.195 -0.777 1.00 0.50 C ATOM 1046 C ASN A 71 13.067 -1.873 -1.495 1.00 0.41 C ATOM 1047 O ASN A 71 13.532 -0.913 -0.891 1.00 0.44 O ATOM 1048 CB ASN A 71 13.966 -4.167 -1.121 1.00 0.59 C ATOM 1049 CG ASN A 71 14.297 -5.086 0.034 1.00 0.79 C ATOM 1050 OD1 ASN A 71 14.672 -4.632 1.115 1.00 1.59 O ATOM 1051 ND2 ASN A 71 14.157 -6.383 -0.183 1.00 0.72 N ATOM 0 H ASN A 71 11.557 -4.743 -1.383 1.00 0.46 H new ATOM 0 HA ASN A 71 12.853 -3.011 0.297 1.00 0.50 H new ATOM 0 HB2 ASN A 71 13.677 -4.763 -1.987 1.00 0.59 H new ATOM 0 HB3 ASN A 71 14.856 -3.605 -1.404 1.00 0.59 H new ATOM 0 HD21 ASN A 71 14.363 -7.050 0.561 1.00 0.72 H new ATOM 0 HD22 ASN A 71 13.843 -6.717 -1.094 1.00 0.72 H new ATOM 1058 N HIS A 72 12.745 -1.832 -2.783 1.00 0.37 N ATOM 1059 CA HIS A 72 12.927 -0.616 -3.576 1.00 0.35 C ATOM 1060 C HIS A 72 12.002 0.509 -3.126 1.00 0.32 C ATOM 1061 O HIS A 72 12.459 1.615 -2.843 1.00 0.35 O ATOM 1062 CB HIS A 72 12.712 -0.905 -5.060 1.00 0.39 C ATOM 1063 CG HIS A 72 13.831 -1.683 -5.675 1.00 0.57 C ATOM 1064 ND1 HIS A 72 15.083 -1.150 -5.901 1.00 1.07 N ATOM 1065 CD2 HIS A 72 13.890 -2.968 -6.089 1.00 0.61 C ATOM 1066 CE1 HIS A 72 15.862 -2.076 -6.433 1.00 1.40 C ATOM 1067 NE2 HIS A 72 15.162 -3.188 -6.555 1.00 1.11 N ATOM 0 H HIS A 72 12.358 -2.621 -3.301 1.00 0.37 H new ATOM 0 HA HIS A 72 13.953 -0.284 -3.418 1.00 0.35 H new ATOM 0 HB2 HIS A 72 11.781 -1.458 -5.185 1.00 0.39 H new ATOM 0 HB3 HIS A 72 12.596 0.038 -5.594 1.00 0.39 H new ATOM 0 HD2 HIS A 72 13.086 -3.688 -6.059 1.00 0.61 H new ATOM 0 HE1 HIS A 72 16.895 -1.945 -6.719 1.00 1.40 H new ATOM 0 HE2 HIS A 72 15.510 -4.069 -6.934 1.00 1.11 H new ATOM 1076 N THR A 73 10.707 0.236 -3.057 1.00 0.34 N ATOM 1077 CA THR A 73 9.754 1.253 -2.632 1.00 0.38 C ATOM 1078 C THR A 73 10.161 1.814 -1.268 1.00 0.36 C ATOM 1079 O THR A 73 10.226 3.032 -1.066 1.00 0.36 O ATOM 1080 CB THR A 73 8.344 0.665 -2.580 1.00 0.47 C ATOM 1081 OG1 THR A 73 8.327 -0.525 -1.811 1.00 0.77 O ATOM 1082 CG2 THR A 73 7.782 0.338 -3.947 1.00 0.61 C ATOM 0 H THR A 73 10.295 -0.669 -3.286 1.00 0.34 H new ATOM 0 HA THR A 73 9.757 2.069 -3.355 1.00 0.38 H new ATOM 0 HB THR A 73 7.723 1.438 -2.126 1.00 0.47 H new ATOM 0 HG1 THR A 73 9.246 -0.835 -1.668 1.00 0.77 H new ATOM 0 HG21 THR A 73 6.779 -0.075 -3.839 1.00 0.61 H new ATOM 0 HG22 THR A 73 7.737 1.246 -4.549 1.00 0.61 H new ATOM 0 HG23 THR A 73 8.424 -0.392 -4.439 1.00 0.61 H new ATOM 1090 N GLN A 74 10.457 0.909 -0.342 1.00 0.39 N ATOM 1091 CA GLN A 74 10.882 1.290 0.994 1.00 0.42 C ATOM 1092 C GLN A 74 12.306 1.826 0.960 1.00 0.41 C ATOM 1093 O GLN A 74 12.729 2.538 1.866 1.00 0.50 O ATOM 1094 CB GLN A 74 10.806 0.090 1.941 1.00 0.49 C ATOM 1095 CG GLN A 74 11.894 -0.948 1.710 1.00 1.45 C ATOM 1096 CD GLN A 74 11.806 -2.128 2.664 1.00 1.87 C ATOM 1097 OE1 GLN A 74 12.600 -3.063 2.580 1.00 2.25 O ATOM 1098 NE2 GLN A 74 10.841 -2.092 3.578 1.00 2.54 N ATOM 0 H GLN A 74 10.409 -0.098 -0.496 1.00 0.39 H new ATOM 0 HA GLN A 74 10.214 2.071 1.358 1.00 0.42 H new ATOM 0 HB2 GLN A 74 10.870 0.446 2.969 1.00 0.49 H new ATOM 0 HB3 GLN A 74 9.833 -0.387 1.829 1.00 0.49 H new ATOM 0 HG2 GLN A 74 11.828 -1.312 0.685 1.00 1.45 H new ATOM 0 HG3 GLN A 74 12.869 -0.473 1.818 1.00 1.45 H new ATOM 0 HE21 GLN A 74 10.202 -1.298 3.614 1.00 2.54 H new ATOM 0 HE22 GLN A 74 10.739 -2.859 4.243 1.00 2.54 H new ATOM 1107 N ARG A 75 13.035 1.483 -0.097 1.00 0.37 N ATOM 1108 CA ARG A 75 14.409 1.944 -0.252 1.00 0.41 C ATOM 1109 C ARG A 75 14.426 3.459 -0.227 1.00 0.39 C ATOM 1110 O ARG A 75 15.278 4.080 0.416 1.00 0.43 O ATOM 1111 CB ARG A 75 15.004 1.431 -1.566 1.00 0.48 C ATOM 1112 CG ARG A 75 16.477 1.752 -1.752 1.00 0.89 C ATOM 1113 CD ARG A 75 16.991 1.211 -3.078 1.00 0.88 C ATOM 1114 NE ARG A 75 18.428 1.430 -3.239 1.00 1.59 N ATOM 1115 CZ ARG A 75 19.130 0.990 -4.280 1.00 2.26 C ATOM 1116 NH1 ARG A 75 18.537 0.290 -5.238 1.00 2.72 N ATOM 1117 NH2 ARG A 75 20.428 1.247 -4.361 1.00 3.06 N ATOM 0 H ARG A 75 12.699 0.890 -0.856 1.00 0.37 H new ATOM 0 HA ARG A 75 15.014 1.556 0.567 1.00 0.41 H new ATOM 0 HB2 ARG A 75 14.871 0.350 -1.614 1.00 0.48 H new ATOM 0 HB3 ARG A 75 14.443 1.859 -2.397 1.00 0.48 H new ATOM 0 HG2 ARG A 75 16.625 2.831 -1.714 1.00 0.89 H new ATOM 0 HG3 ARG A 75 17.053 1.322 -0.932 1.00 0.89 H new ATOM 0 HD2 ARG A 75 16.778 0.144 -3.141 1.00 0.88 H new ATOM 0 HD3 ARG A 75 16.457 1.692 -3.897 1.00 0.88 H new ATOM 0 HE ARG A 75 18.920 1.950 -2.512 1.00 1.59 H new ATOM 0 HH11 ARG A 75 17.539 0.087 -5.178 1.00 2.72 H new ATOM 0 HH12 ARG A 75 19.079 -0.045 -6.034 1.00 2.72 H new ATOM 0 HH21 ARG A 75 20.889 1.782 -3.625 1.00 3.06 H new ATOM 0 HH22 ARG A 75 20.966 0.909 -5.159 1.00 3.06 H new ATOM 1131 N ILE A 76 13.459 4.048 -0.916 1.00 0.38 N ATOM 1132 CA ILE A 76 13.348 5.486 -0.960 1.00 0.41 C ATOM 1133 C ILE A 76 12.899 6.028 0.386 1.00 0.42 C ATOM 1134 O ILE A 76 13.594 6.846 0.965 1.00 0.44 O ATOM 1135 CB ILE A 76 12.398 5.971 -2.069 1.00 0.45 C ATOM 1136 CG1 ILE A 76 12.930 5.531 -3.437 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.241 7.486 -2.005 1.00 0.50 C ATOM 1138 CD1 ILE A 76 12.190 6.140 -4.610 1.00 0.83 C ATOM 0 H ILE A 76 12.746 3.549 -1.448 1.00 0.38 H new ATOM 0 HA ILE A 76 14.341 5.871 -1.193 1.00 0.41 H new ATOM 0 HB ILE A 76 11.415 5.524 -1.921 1.00 0.45 H new ATOM 0 HG12 ILE A 76 13.985 5.797 -3.508 1.00 0.55 H new ATOM 0 HG13 ILE A 76 12.870 4.445 -3.507 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.566 7.816 -2.795 1.00 0.50 H new ATOM 0 HG22 ILE A 76 11.830 7.769 -1.036 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.214 7.959 -2.138 1.00 0.50 H new ATOM 0 HD11 ILE A 76 12.626 5.780 -5.542 1.00 0.83 H new ATOM 0 HD12 ILE A 76 11.139 5.853 -4.566 1.00 0.83 H new ATOM 0 HD13 ILE A 76 12.272 7.226 -4.567 1.00 0.83 H new ATOM 1150 N GLU A 77 11.747 5.572 0.899 1.00 0.44 N ATOM 1151 CA GLU A 77 11.278 6.063 2.198 1.00 0.47 C ATOM 1152 C GLU A 77 12.345 5.849 3.265 1.00 0.48 C ATOM 1153 O GLU A 77 12.354 6.518 4.298 1.00 0.54 O ATOM 1154 CB GLU A 77 9.954 5.410 2.634 1.00 0.50 C ATOM 1155 CG GLU A 77 10.023 3.916 2.923 1.00 0.66 C ATOM 1156 CD GLU A 77 10.755 3.597 4.213 1.00 0.97 C ATOM 1157 OE1 GLU A 77 10.335 4.107 5.274 1.00 1.43 O ATOM 1158 OE2 GLU A 77 11.742 2.835 4.167 1.00 1.32 O ATOM 0 H GLU A 77 11.141 4.886 0.450 1.00 0.44 H new ATOM 0 HA GLU A 77 11.088 7.130 2.083 1.00 0.47 H new ATOM 0 HB2 GLU A 77 9.595 5.919 3.529 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.212 5.577 1.853 1.00 0.50 H new ATOM 0 HG2 GLU A 77 9.011 3.514 2.977 1.00 0.66 H new ATOM 0 HG3 GLU A 77 10.522 3.413 2.094 1.00 0.66 H new ATOM 1165 N LEU A 78 13.252 4.913 3.001 1.00 0.45 N ATOM 1166 CA LEU A 78 14.333 4.611 3.928 1.00 0.49 C ATOM 1167 C LEU A 78 15.285 5.796 4.016 1.00 0.49 C ATOM 1168 O LEU A 78 15.758 6.141 5.096 1.00 0.59 O ATOM 1169 CB LEU A 78 15.080 3.348 3.477 1.00 0.53 C ATOM 1170 CG LEU A 78 16.076 2.759 4.487 1.00 0.88 C ATOM 1171 CD1 LEU A 78 16.438 1.334 4.097 1.00 1.66 C ATOM 1172 CD2 LEU A 78 17.333 3.611 4.574 1.00 1.52 C ATOM 0 H LEU A 78 13.258 4.351 2.150 1.00 0.45 H new ATOM 0 HA LEU A 78 13.914 4.426 4.917 1.00 0.49 H new ATOM 0 HB2 LEU A 78 14.344 2.582 3.233 1.00 0.53 H new ATOM 0 HB3 LEU A 78 15.618 3.577 2.557 1.00 0.53 H new ATOM 0 HG LEU A 78 15.600 2.751 5.468 1.00 0.88 H new ATOM 0 HD11 LEU A 78 17.145 0.927 4.820 1.00 1.66 H new ATOM 0 HD12 LEU A 78 15.537 0.720 4.085 1.00 1.66 H new ATOM 0 HD13 LEU A 78 16.892 1.332 3.106 1.00 1.66 H new ATOM 0 HD21 LEU A 78 18.021 3.172 5.296 1.00 1.52 H new ATOM 0 HD22 LEU A 78 17.812 3.654 3.596 1.00 1.52 H new ATOM 0 HD23 LEU A 78 17.068 4.619 4.893 1.00 1.52 H new ATOM 1184 N GLN A 79 15.565 6.415 2.870 1.00 0.47 N ATOM 1185 CA GLN A 79 16.467 7.564 2.823 1.00 0.52 C ATOM 1186 C GLN A 79 15.709 8.841 2.447 1.00 0.53 C ATOM 1187 O GLN A 79 16.301 9.916 2.343 1.00 0.72 O ATOM 1188 CB GLN A 79 17.586 7.311 1.812 1.00 0.63 C ATOM 1189 CG GLN A 79 18.270 5.966 1.986 1.00 1.12 C ATOM 1190 CD GLN A 79 19.350 5.722 0.951 1.00 1.67 C ATOM 1191 OE1 GLN A 79 20.325 6.468 0.865 1.00 2.24 O ATOM 1192 NE2 GLN A 79 19.179 4.672 0.155 1.00 2.32 N ATOM 0 H GLN A 79 15.182 6.141 1.965 1.00 0.47 H new ATOM 0 HA GLN A 79 16.898 7.698 3.815 1.00 0.52 H new ATOM 0 HB2 GLN A 79 17.175 7.372 0.804 1.00 0.63 H new ATOM 0 HB3 GLN A 79 18.331 8.102 1.901 1.00 0.63 H new ATOM 0 HG2 GLN A 79 18.708 5.912 2.983 1.00 1.12 H new ATOM 0 HG3 GLN A 79 17.525 5.173 1.922 1.00 1.12 H new ATOM 0 HE21 GLN A 79 18.355 4.080 0.262 1.00 2.32 H new ATOM 0 HE22 GLN A 79 19.872 4.458 -0.563 1.00 2.32 H new ATOM 1201 N GLN A 80 14.401 8.714 2.259 1.00 0.61 N ATOM 1202 CA GLN A 80 13.553 9.849 1.912 1.00 0.72 C ATOM 1203 C GLN A 80 12.901 10.355 3.188 1.00 0.88 C ATOM 1204 O GLN A 80 12.964 11.539 3.514 1.00 1.15 O ATOM 1205 CB GLN A 80 12.490 9.439 0.879 1.00 0.74 C ATOM 1206 CG GLN A 80 12.001 10.574 -0.013 1.00 1.27 C ATOM 1207 CD GLN A 80 11.254 11.659 0.739 1.00 1.51 C ATOM 1208 OE1 GLN A 80 9.951 11.748 0.503 1.00 2.00 O flip ATOM 1209 NE2 GLN A 80 11.836 12.407 1.522 1.00 2.07 N flip ATOM 0 H GLN A 80 13.901 7.829 2.342 1.00 0.61 H new ATOM 0 HA GLN A 80 14.152 10.640 1.461 1.00 0.72 H new ATOM 0 HB2 GLN A 80 12.900 8.650 0.249 1.00 0.74 H new ATOM 0 HB3 GLN A 80 11.635 9.014 1.406 1.00 0.74 H new ATOM 0 HG2 GLN A 80 12.856 11.019 -0.522 1.00 1.27 H new ATOM 0 HG3 GLN A 80 11.349 10.164 -0.784 1.00 1.27 H new ATOM 0 HE21 GLN A 80 12.839 12.305 1.675 1.00 2.07 H new ATOM 0 HE22 GLN A 80 11.316 13.130 2.019 1.00 2.07 H new ATOM 1218 N GLY A 81 12.320 9.422 3.931 1.00 0.99 N ATOM 1219 CA GLY A 81 11.704 9.737 5.197 1.00 1.25 C ATOM 1220 C GLY A 81 12.414 9.010 6.318 1.00 1.79 C ATOM 1221 O GLY A 81 11.797 8.592 7.296 1.00 2.18 O ATOM 0 H GLY A 81 12.267 8.437 3.670 1.00 0.99 H new ATOM 0 HA2 GLY A 81 11.741 10.813 5.370 1.00 1.25 H new ATOM 0 HA3 GLY A 81 10.652 9.453 5.179 1.00 1.25 H new ATOM 1225 N ARG A 82 13.727 8.855 6.146 1.00 2.09 N ATOM 1226 CA ARG A 82 14.572 8.169 7.117 1.00 2.89 C ATOM 1227 C ARG A 82 14.211 8.602 8.530 1.00 2.71 C ATOM 1228 O ARG A 82 13.818 9.747 8.753 1.00 3.22 O ATOM 1229 CB ARG A 82 16.048 8.486 6.820 1.00 3.76 C ATOM 1230 CG ARG A 82 17.050 7.477 7.377 1.00 4.75 C ATOM 1231 CD ARG A 82 17.219 7.598 8.882 1.00 5.59 C ATOM 1232 NE ARG A 82 18.281 6.732 9.390 1.00 6.37 N ATOM 1233 CZ ARG A 82 18.258 5.402 9.313 1.00 7.14 C ATOM 1234 NH1 ARG A 82 17.222 4.779 8.766 1.00 7.29 N ATOM 1235 NH2 ARG A 82 19.273 4.695 9.792 1.00 8.02 N ATOM 0 H ARG A 82 14.232 9.202 5.330 1.00 2.09 H new ATOM 0 HA ARG A 82 14.412 7.094 7.039 1.00 2.89 H new ATOM 0 HB2 ARG A 82 16.180 8.548 5.740 1.00 3.76 H new ATOM 0 HB3 ARG A 82 16.282 9.470 7.227 1.00 3.76 H new ATOM 0 HG2 ARG A 82 16.720 6.468 7.131 1.00 4.75 H new ATOM 0 HG3 ARG A 82 18.016 7.623 6.893 1.00 4.75 H new ATOM 0 HD2 ARG A 82 17.443 8.633 9.139 1.00 5.59 H new ATOM 0 HD3 ARG A 82 16.280 7.344 9.373 1.00 5.59 H new ATOM 0 HE ARG A 82 19.089 7.172 9.830 1.00 6.37 H new ATOM 0 HH11 ARG A 82 16.437 5.319 8.401 1.00 7.29 H new ATOM 0 HH12 ARG A 82 17.211 3.761 8.710 1.00 7.29 H new ATOM 0 HH21 ARG A 82 20.069 5.170 10.218 1.00 8.02 H new ATOM 0 HH22 ARG A 82 19.258 3.677 9.734 1.00 8.02 H new ATOM 1249 N VAL A 83 14.354 7.687 9.483 1.00 2.65 N ATOM 1250 CA VAL A 83 14.050 7.985 10.876 1.00 2.95 C ATOM 1251 C VAL A 83 14.901 9.144 11.391 1.00 2.78 C ATOM 1252 O VAL A 83 14.786 9.543 12.549 1.00 3.48 O ATOM 1253 CB VAL A 83 14.273 6.755 11.779 1.00 3.70 C ATOM 1254 CG1 VAL A 83 13.362 5.612 11.357 1.00 4.50 C ATOM 1255 CG2 VAL A 83 15.732 6.323 11.743 1.00 4.33 C ATOM 0 H VAL A 83 14.678 6.734 9.316 1.00 2.65 H new ATOM 0 HA VAL A 83 12.998 8.266 10.915 1.00 2.95 H new ATOM 0 HB VAL A 83 14.024 7.030 12.804 1.00 3.70 H new ATOM 0 HG11 VAL A 83 13.533 4.752 12.005 1.00 4.50 H new ATOM 0 HG12 VAL A 83 12.322 5.927 11.439 1.00 4.50 H new ATOM 0 HG13 VAL A 83 13.578 5.337 10.325 1.00 4.50 H new ATOM 0 HG21 VAL A 83 15.870 5.454 12.386 1.00 4.33 H new ATOM 0 HG22 VAL A 83 16.010 6.066 10.721 1.00 4.33 H new ATOM 0 HG23 VAL A 83 16.362 7.139 12.096 1.00 4.33 H new ATOM 1265 N ARG A 84 15.750 9.688 10.519 1.00 2.54 N ATOM 1266 CA ARG A 84 16.611 10.804 10.881 1.00 3.37 C ATOM 1267 C ARG A 84 16.647 11.848 9.770 1.00 3.75 C ATOM 1268 O ARG A 84 16.616 11.508 8.587 1.00 4.35 O ATOM 1269 CB ARG A 84 18.029 10.313 11.179 1.00 3.92 C ATOM 1270 CG ARG A 84 18.114 9.383 12.380 1.00 4.19 C ATOM 1271 CD ARG A 84 19.549 8.968 12.684 1.00 5.23 C ATOM 1272 NE ARG A 84 20.136 8.145 11.624 1.00 5.75 N ATOM 1273 CZ ARG A 84 20.682 8.634 10.511 1.00 6.40 C ATOM 1274 NH1 ARG A 84 20.791 9.946 10.337 1.00 6.67 N ATOM 1275 NH2 ARG A 84 21.141 7.808 9.582 1.00 7.08 N ATOM 0 H ARG A 84 15.857 9.370 9.556 1.00 2.54 H new ATOM 0 HA ARG A 84 16.200 11.266 11.778 1.00 3.37 H new ATOM 0 HB2 ARG A 84 18.417 9.795 10.302 1.00 3.92 H new ATOM 0 HB3 ARG A 84 18.674 11.175 11.352 1.00 3.92 H new ATOM 0 HG2 ARG A 84 17.688 9.878 13.252 1.00 4.19 H new ATOM 0 HG3 ARG A 84 17.512 8.494 12.193 1.00 4.19 H new ATOM 0 HD2 ARG A 84 20.159 9.860 12.825 1.00 5.23 H new ATOM 0 HD3 ARG A 84 19.572 8.415 13.623 1.00 5.23 H new ATOM 0 HE ARG A 84 20.126 7.132 11.746 1.00 5.75 H new ATOM 0 HH11 ARG A 84 20.456 10.586 11.057 1.00 6.67 H new ATOM 0 HH12 ARG A 84 21.210 10.314 9.483 1.00 6.67 H new ATOM 0 HH21 ARG A 84 21.076 6.799 9.719 1.00 7.08 H new ATOM 0 HH22 ARG A 84 21.559 8.181 8.730 1.00 7.08 H new ATOM 1289 N LYS A 85 16.704 13.116 10.178 1.00 4.00 N ATOM 1290 CA LYS A 85 16.741 14.252 9.251 1.00 4.93 C ATOM 1291 C LYS A 85 15.344 14.559 8.729 1.00 5.06 C ATOM 1292 O LYS A 85 14.655 15.434 9.255 1.00 5.81 O ATOM 1293 CB LYS A 85 17.701 13.992 8.083 1.00 5.72 C ATOM 1294 CG LYS A 85 19.143 13.765 8.513 1.00 6.56 C ATOM 1295 CD LYS A 85 19.743 15.006 9.161 1.00 7.22 C ATOM 1296 CE LYS A 85 19.835 16.165 8.181 1.00 8.23 C ATOM 1297 NZ LYS A 85 20.432 17.378 8.809 1.00 8.70 N ATOM 0 H LYS A 85 16.726 13.387 11.161 1.00 4.00 H new ATOM 0 HA LYS A 85 17.110 15.117 9.801 1.00 4.93 H new ATOM 0 HB2 LYS A 85 17.355 13.120 7.528 1.00 5.72 H new ATOM 0 HB3 LYS A 85 17.665 14.840 7.399 1.00 5.72 H new ATOM 0 HG2 LYS A 85 19.186 12.932 9.215 1.00 6.56 H new ATOM 0 HG3 LYS A 85 19.741 13.483 7.646 1.00 6.56 H new ATOM 0 HD2 LYS A 85 19.134 15.300 10.016 1.00 7.22 H new ATOM 0 HD3 LYS A 85 20.737 14.773 9.543 1.00 7.22 H new ATOM 0 HE2 LYS A 85 20.437 15.867 7.322 1.00 8.23 H new ATOM 0 HE3 LYS A 85 18.840 16.403 7.806 1.00 8.23 H new ATOM 0 HZ1 LYS A 85 20.477 18.145 8.108 1.00 8.70 H new ATOM 0 HZ2 LYS A 85 19.844 17.678 9.613 1.00 8.70 H new ATOM 0 HZ3 LYS A 85 21.392 17.159 9.144 1.00 8.70 H new ATOM 1311 N ALA A 86 14.922 13.828 7.705 1.00 4.58 N ATOM 1312 CA ALA A 86 13.598 14.023 7.135 1.00 4.96 C ATOM 1313 C ALA A 86 12.529 13.732 8.179 1.00 4.23 C ATOM 1314 O ALA A 86 11.639 14.547 8.419 1.00 4.67 O ATOM 1315 CB ALA A 86 13.407 13.135 5.918 1.00 5.68 C ATOM 0 H ALA A 86 15.475 13.099 7.255 1.00 4.58 H new ATOM 0 HA ALA A 86 13.504 15.062 6.820 1.00 4.96 H new ATOM 0 HB1 ALA A 86 12.411 13.294 5.504 1.00 5.68 H new ATOM 0 HB2 ALA A 86 14.156 13.383 5.166 1.00 5.68 H new ATOM 0 HB3 ALA A 86 13.517 12.090 6.209 1.00 5.68 H new ATOM 1321 N GLU A 87 12.631 12.561 8.800 1.00 3.27 N ATOM 1322 CA GLU A 87 11.681 12.152 9.827 1.00 2.78 C ATOM 1323 C GLU A 87 12.368 12.005 11.181 1.00 2.78 C ATOM 1324 O GLU A 87 12.620 10.892 11.640 1.00 3.47 O ATOM 1325 CB GLU A 87 11.030 10.831 9.434 1.00 2.42 C ATOM 1326 CG GLU A 87 10.228 10.901 8.144 1.00 3.19 C ATOM 1327 CD GLU A 87 9.024 11.820 8.246 1.00 3.92 C ATOM 1328 OE1 GLU A 87 9.223 13.032 8.465 1.00 4.37 O ATOM 1329 OE2 GLU A 87 7.885 11.327 8.107 1.00 4.46 O ATOM 0 H GLU A 87 13.364 11.878 8.609 1.00 3.27 H new ATOM 0 HA GLU A 87 10.917 12.925 9.912 1.00 2.78 H new ATOM 0 HB2 GLU A 87 11.805 10.072 9.328 1.00 2.42 H new ATOM 0 HB3 GLU A 87 10.374 10.506 10.241 1.00 2.42 H new ATOM 0 HG2 GLU A 87 10.875 11.247 7.338 1.00 3.19 H new ATOM 0 HG3 GLU A 87 9.892 9.899 7.876 1.00 3.19 H new ATOM 1336 N ARG A 88 12.672 13.136 11.813 1.00 2.49 N ATOM 1337 CA ARG A 88 13.334 13.132 13.113 1.00 2.70 C ATOM 1338 C ARG A 88 12.597 12.230 14.101 1.00 2.60 C ATOM 1339 O ARG A 88 13.117 11.191 14.509 1.00 3.18 O ATOM 1340 CB ARG A 88 13.427 14.555 13.666 1.00 3.45 C ATOM 1341 CG ARG A 88 14.184 15.508 12.754 1.00 4.14 C ATOM 1342 CD ARG A 88 14.369 16.872 13.398 1.00 4.97 C ATOM 1343 NE ARG A 88 15.157 16.792 14.624 1.00 5.51 N ATOM 1344 CZ ARG A 88 15.497 17.849 15.355 1.00 6.30 C ATOM 1345 NH1 ARG A 88 15.128 19.068 14.979 1.00 6.63 N ATOM 1346 NH2 ARG A 88 16.211 17.689 16.461 1.00 7.05 N ATOM 0 H ARG A 88 12.470 14.066 11.446 1.00 2.49 H new ATOM 0 HA ARG A 88 14.341 12.738 12.978 1.00 2.70 H new ATOM 0 HB2 ARG A 88 12.420 14.941 13.828 1.00 3.45 H new ATOM 0 HB3 ARG A 88 13.918 14.528 14.639 1.00 3.45 H new ATOM 0 HG2 ARG A 88 15.159 15.084 12.513 1.00 4.14 H new ATOM 0 HG3 ARG A 88 13.643 15.619 11.814 1.00 4.14 H new ATOM 0 HD2 ARG A 88 14.861 17.543 12.693 1.00 4.97 H new ATOM 0 HD3 ARG A 88 13.393 17.304 13.621 1.00 4.97 H new ATOM 0 HE ARG A 88 15.465 15.872 14.938 1.00 5.51 H new ATOM 0 HH11 ARG A 88 14.582 19.195 14.127 1.00 6.63 H new ATOM 0 HH12 ARG A 88 15.391 19.877 15.542 1.00 6.63 H new ATOM 0 HH21 ARG A 88 16.500 16.755 16.751 1.00 7.05 H new ATOM 0 HH22 ARG A 88 16.472 18.500 17.022 1.00 7.05 H new ATOM 1360 N TRP A 89 11.387 12.630 14.478 1.00 2.49 N ATOM 1361 CA TRP A 89 10.582 11.850 15.411 1.00 2.93 C ATOM 1362 C TRP A 89 9.097 12.152 15.234 1.00 2.93 C ATOM 1363 O TRP A 89 8.713 13.294 14.978 1.00 3.71 O ATOM 1364 CB TRP A 89 11.003 12.139 16.854 1.00 3.69 C ATOM 1365 CG TRP A 89 10.296 11.279 17.857 1.00 4.09 C ATOM 1366 CD1 TRP A 89 10.215 9.916 17.852 1.00 4.50 C ATOM 1367 CD2 TRP A 89 9.563 11.720 19.006 1.00 4.70 C ATOM 1368 NE1 TRP A 89 9.480 9.482 18.929 1.00 5.25 N ATOM 1369 CE2 TRP A 89 9.069 10.570 19.652 1.00 5.32 C ATOM 1370 CE3 TRP A 89 9.279 12.975 19.552 1.00 5.16 C ATOM 1371 CZ2 TRP A 89 8.306 10.640 20.815 1.00 6.18 C ATOM 1372 CZ3 TRP A 89 8.521 13.042 20.708 1.00 6.02 C ATOM 1373 CH2 TRP A 89 8.043 11.881 21.328 1.00 6.44 C ATOM 0 H TRP A 89 10.943 13.489 14.152 1.00 2.49 H new ATOM 0 HA TRP A 89 10.750 10.794 15.197 1.00 2.93 H new ATOM 0 HB2 TRP A 89 12.078 11.988 16.949 1.00 3.69 H new ATOM 0 HB3 TRP A 89 10.807 13.187 17.080 1.00 3.69 H new ATOM 0 HD1 TRP A 89 10.663 9.273 17.110 1.00 4.50 H new ATOM 0 HE1 TRP A 89 9.274 8.508 19.153 1.00 5.25 H new ATOM 0 HE3 TRP A 89 9.644 13.875 19.081 1.00 5.16 H new ATOM 0 HZ2 TRP A 89 7.935 9.746 21.295 1.00 6.18 H new ATOM 0 HZ3 TRP A 89 8.294 14.006 21.139 1.00 6.02 H new ATOM 0 HH2 TRP A 89 7.455 11.967 22.230 1.00 6.44 H new ATOM 1384 N GLY A 90 8.268 11.122 15.376 1.00 2.39 N ATOM 1385 CA GLY A 90 6.835 11.294 15.231 1.00 2.51 C ATOM 1386 C GLY A 90 6.242 10.376 14.178 1.00 2.11 C ATOM 1387 O GLY A 90 6.695 9.242 14.017 1.00 2.15 O ATOM 0 H GLY A 90 8.565 10.170 15.589 1.00 2.39 H new ATOM 0 HA2 GLY A 90 6.351 11.103 16.189 1.00 2.51 H new ATOM 0 HA3 GLY A 90 6.622 12.330 14.967 1.00 2.51 H new ATOM 1391 N PRO A 91 5.219 10.841 13.438 1.00 1.87 N ATOM 1392 CA PRO A 91 4.568 10.040 12.394 1.00 1.71 C ATOM 1393 C PRO A 91 5.561 9.500 11.368 1.00 1.71 C ATOM 1394 O PRO A 91 6.626 10.080 11.153 1.00 2.14 O ATOM 1395 CB PRO A 91 3.603 11.030 11.734 1.00 1.86 C ATOM 1396 CG PRO A 91 3.342 12.061 12.775 1.00 2.00 C ATOM 1397 CD PRO A 91 4.614 12.180 13.565 1.00 1.98 C ATOM 0 HA PRO A 91 4.079 9.157 12.807 1.00 1.71 H new ATOM 0 HB2 PRO A 91 4.042 11.473 10.840 1.00 1.86 H new ATOM 0 HB3 PRO A 91 2.681 10.537 11.426 1.00 1.86 H new ATOM 0 HG2 PRO A 91 3.073 13.015 12.321 1.00 2.00 H new ATOM 0 HG3 PRO A 91 2.510 11.767 13.416 1.00 2.00 H new ATOM 0 HD2 PRO A 91 5.266 12.956 13.163 1.00 1.98 H new ATOM 0 HD3 PRO A 91 4.418 12.436 14.606 1.00 1.98 H new ATOM 1405 N ARG A 92 5.204 8.382 10.737 1.00 2.00 N ATOM 1406 CA ARG A 92 6.061 7.759 9.731 1.00 2.09 C ATOM 1407 C ARG A 92 6.084 8.585 8.447 1.00 1.39 C ATOM 1408 O ARG A 92 5.669 9.743 8.440 1.00 1.88 O ATOM 1409 CB ARG A 92 5.591 6.330 9.430 1.00 3.24 C ATOM 1410 CG ARG A 92 5.810 5.353 10.578 1.00 4.14 C ATOM 1411 CD ARG A 92 4.934 5.681 11.778 1.00 4.91 C ATOM 1412 NE ARG A 92 5.213 4.809 12.915 1.00 5.90 N ATOM 1413 CZ ARG A 92 4.608 4.920 14.093 1.00 6.64 C ATOM 1414 NH1 ARG A 92 3.691 5.860 14.284 1.00 6.67 N ATOM 1415 NH2 ARG A 92 4.918 4.092 15.081 1.00 7.60 N ATOM 0 H ARG A 92 4.327 7.890 10.905 1.00 2.00 H new ATOM 0 HA ARG A 92 7.073 7.718 10.133 1.00 2.09 H new ATOM 0 HB2 ARG A 92 4.530 6.352 9.182 1.00 3.24 H new ATOM 0 HB3 ARG A 92 6.117 5.963 8.549 1.00 3.24 H new ATOM 0 HG2 ARG A 92 5.595 4.340 10.238 1.00 4.14 H new ATOM 0 HG3 ARG A 92 6.858 5.374 10.877 1.00 4.14 H new ATOM 0 HD2 ARG A 92 5.093 6.719 12.070 1.00 4.91 H new ATOM 0 HD3 ARG A 92 3.885 5.586 11.498 1.00 4.91 H new ATOM 0 HE ARG A 92 5.911 4.074 12.799 1.00 5.90 H new ATOM 0 HH11 ARG A 92 3.450 6.499 13.526 1.00 6.67 H new ATOM 0 HH12 ARG A 92 3.227 5.944 15.189 1.00 6.67 H new ATOM 0 HH21 ARG A 92 5.622 3.368 14.938 1.00 7.60 H new ATOM 0 HH22 ARG A 92 4.452 4.179 15.984 1.00 7.60 H new ATOM 1429 N THR A 93 6.584 7.991 7.363 1.00 1.14 N ATOM 1430 CA THR A 93 6.672 8.681 6.092 1.00 1.33 C ATOM 1431 C THR A 93 6.137 7.815 4.964 1.00 1.11 C ATOM 1432 O THR A 93 5.624 8.329 3.973 1.00 1.61 O ATOM 1433 CB THR A 93 8.128 9.042 5.815 1.00 1.94 C ATOM 1434 OG1 THR A 93 8.267 9.628 4.535 1.00 2.57 O ATOM 1435 CG2 THR A 93 9.055 7.847 5.878 1.00 2.58 C ATOM 0 H THR A 93 6.932 7.032 7.348 1.00 1.14 H new ATOM 0 HA THR A 93 6.067 9.586 6.144 1.00 1.33 H new ATOM 0 HB THR A 93 8.408 9.746 6.599 1.00 1.94 H new ATOM 0 HG1 THR A 93 8.891 10.382 4.586 1.00 2.57 H new ATOM 0 HG21 THR A 93 10.076 8.168 5.672 1.00 2.58 H new ATOM 0 HG22 THR A 93 9.008 7.402 6.872 1.00 2.58 H new ATOM 0 HG23 THR A 93 8.750 7.110 5.135 1.00 2.58 H new ATOM 1443 N LEU A 94 6.276 6.499 5.092 1.00 0.80 N ATOM 1444 CA LEU A 94 5.817 5.616 4.033 1.00 0.54 C ATOM 1445 C LEU A 94 5.751 4.157 4.483 1.00 0.52 C ATOM 1446 O LEU A 94 6.560 3.706 5.293 1.00 0.65 O ATOM 1447 CB LEU A 94 6.772 5.762 2.854 1.00 0.48 C ATOM 1448 CG LEU A 94 6.132 5.756 1.474 1.00 0.52 C ATOM 1449 CD1 LEU A 94 7.156 6.183 0.438 1.00 1.39 C ATOM 1450 CD2 LEU A 94 5.568 4.384 1.147 1.00 1.37 C ATOM 0 H LEU A 94 6.692 6.032 5.898 1.00 0.80 H new ATOM 0 HA LEU A 94 4.803 5.899 3.751 1.00 0.54 H new ATOM 0 HB2 LEU A 94 7.325 6.694 2.973 1.00 0.48 H new ATOM 0 HB3 LEU A 94 7.500 4.952 2.899 1.00 0.48 H new ATOM 0 HG LEU A 94 5.303 6.464 1.463 1.00 0.52 H new ATOM 0 HD11 LEU A 94 6.697 6.179 -0.551 1.00 1.39 H new ATOM 0 HD12 LEU A 94 7.510 7.188 0.669 1.00 1.39 H new ATOM 0 HD13 LEU A 94 7.997 5.490 0.451 1.00 1.39 H new ATOM 0 HD21 LEU A 94 5.115 4.404 0.156 1.00 1.37 H new ATOM 0 HD22 LEU A 94 6.371 3.647 1.165 1.00 1.37 H new ATOM 0 HD23 LEU A 94 4.813 4.116 1.886 1.00 1.37 H new ATOM 1462 N ASP A 95 4.782 3.425 3.935 1.00 0.49 N ATOM 1463 CA ASP A 95 4.605 2.010 4.261 1.00 0.56 C ATOM 1464 C ASP A 95 4.497 1.168 2.988 1.00 0.48 C ATOM 1465 O ASP A 95 3.727 1.495 2.086 1.00 0.65 O ATOM 1466 CB ASP A 95 3.357 1.815 5.123 1.00 0.87 C ATOM 1467 CG ASP A 95 3.109 0.358 5.459 1.00 1.51 C ATOM 1468 OD1 ASP A 95 3.987 -0.263 6.095 1.00 1.92 O ATOM 1469 OD2 ASP A 95 2.037 -0.164 5.084 1.00 2.19 O ATOM 0 H ASP A 95 4.107 3.789 3.263 1.00 0.49 H new ATOM 0 HA ASP A 95 5.479 1.679 4.822 1.00 0.56 H new ATOM 0 HB2 ASP A 95 3.464 2.385 6.046 1.00 0.87 H new ATOM 0 HB3 ASP A 95 2.490 2.217 4.599 1.00 0.87 H new ATOM 1474 N LEU A 96 5.287 0.093 2.913 1.00 0.48 N ATOM 1475 CA LEU A 96 5.280 -0.772 1.733 1.00 0.63 C ATOM 1476 C LEU A 96 4.956 -2.230 2.077 1.00 0.60 C ATOM 1477 O LEU A 96 5.724 -2.906 2.763 1.00 0.76 O ATOM 1478 CB LEU A 96 6.634 -0.700 1.016 1.00 0.97 C ATOM 1479 CG LEU A 96 7.051 0.693 0.532 1.00 0.98 C ATOM 1480 CD1 LEU A 96 5.930 1.343 -0.267 1.00 1.91 C ATOM 1481 CD2 LEU A 96 7.467 1.577 1.700 1.00 2.04 C ATOM 0 H LEU A 96 5.933 -0.196 3.648 1.00 0.48 H new ATOM 0 HA LEU A 96 4.491 -0.407 1.076 1.00 0.63 H new ATOM 0 HB2 LEU A 96 7.403 -1.076 1.690 1.00 0.97 H new ATOM 0 HB3 LEU A 96 6.607 -1.371 0.157 1.00 0.97 H new ATOM 0 HG LEU A 96 7.914 0.577 -0.123 1.00 0.98 H new ATOM 0 HD11 LEU A 96 6.247 2.331 -0.601 1.00 1.91 H new ATOM 0 HD12 LEU A 96 5.695 0.725 -1.134 1.00 1.91 H new ATOM 0 HD13 LEU A 96 5.044 1.439 0.361 1.00 1.91 H new ATOM 0 HD21 LEU A 96 7.758 2.559 1.327 1.00 2.04 H new ATOM 0 HD22 LEU A 96 6.631 1.684 2.391 1.00 2.04 H new ATOM 0 HD23 LEU A 96 8.310 1.121 2.219 1.00 2.04 H new ATOM 1493 N ASP A 97 3.817 -2.702 1.570 1.00 0.55 N ATOM 1494 CA ASP A 97 3.366 -4.080 1.783 1.00 0.62 C ATOM 1495 C ASP A 97 2.573 -4.560 0.574 1.00 0.56 C ATOM 1496 O ASP A 97 2.286 -3.778 -0.327 1.00 0.70 O ATOM 1497 CB ASP A 97 2.511 -4.185 3.048 1.00 0.79 C ATOM 1498 CG ASP A 97 3.276 -3.798 4.299 1.00 1.45 C ATOM 1499 OD1 ASP A 97 4.298 -4.452 4.595 1.00 2.17 O ATOM 1500 OD2 ASP A 97 2.852 -2.843 4.982 1.00 1.98 O ATOM 0 H ASP A 97 3.181 -2.143 1.001 1.00 0.55 H new ATOM 0 HA ASP A 97 4.244 -4.713 1.911 1.00 0.62 H new ATOM 0 HB2 ASP A 97 1.637 -3.541 2.947 1.00 0.79 H new ATOM 0 HB3 ASP A 97 2.144 -5.206 3.151 1.00 0.79 H new ATOM 1505 N ILE A 98 2.239 -5.846 0.540 1.00 0.69 N ATOM 1506 CA ILE A 98 1.495 -6.390 -0.591 1.00 0.63 C ATOM 1507 C ILE A 98 0.207 -7.110 -0.188 1.00 0.67 C ATOM 1508 O ILE A 98 0.062 -7.597 0.933 1.00 0.93 O ATOM 1509 CB ILE A 98 2.355 -7.352 -1.432 1.00 0.74 C ATOM 1510 CG1 ILE A 98 3.251 -8.239 -0.569 1.00 1.91 C ATOM 1511 CG2 ILE A 98 3.181 -6.581 -2.449 1.00 1.40 C ATOM 1512 CD1 ILE A 98 2.561 -8.905 0.605 1.00 2.73 C ATOM 0 H ILE A 98 2.467 -6.522 1.269 1.00 0.69 H new ATOM 0 HA ILE A 98 1.222 -5.518 -1.186 1.00 0.63 H new ATOM 0 HB ILE A 98 1.670 -8.013 -1.962 1.00 0.74 H new ATOM 0 HG12 ILE A 98 3.686 -9.013 -1.201 1.00 1.91 H new ATOM 0 HG13 ILE A 98 4.076 -7.636 -0.190 1.00 1.91 H new ATOM 0 HG21 ILE A 98 3.782 -7.278 -3.033 1.00 1.40 H new ATOM 0 HG22 ILE A 98 2.517 -6.029 -3.114 1.00 1.40 H new ATOM 0 HG23 ILE A 98 3.838 -5.883 -1.930 1.00 1.40 H new ATOM 0 HD11 ILE A 98 3.281 -9.512 1.154 1.00 2.73 H new ATOM 0 HD12 ILE A 98 2.151 -8.142 1.266 1.00 2.73 H new ATOM 0 HD13 ILE A 98 1.754 -9.541 0.240 1.00 2.73 H new ATOM 1524 N MET A 99 -0.729 -7.157 -1.134 1.00 0.53 N ATOM 1525 CA MET A 99 -2.020 -7.800 -0.934 1.00 0.63 C ATOM 1526 C MET A 99 -2.155 -9.098 -1.753 1.00 0.63 C ATOM 1527 O MET A 99 -2.214 -10.187 -1.199 1.00 0.87 O ATOM 1528 CB MET A 99 -3.137 -6.829 -1.317 1.00 0.70 C ATOM 1529 CG MET A 99 -3.227 -5.612 -0.411 1.00 0.93 C ATOM 1530 SD MET A 99 -1.799 -4.523 -0.553 1.00 1.77 S ATOM 1531 CE MET A 99 -1.887 -4.069 -2.283 1.00 2.48 C ATOM 0 H MET A 99 -0.610 -6.749 -2.061 1.00 0.53 H new ATOM 0 HA MET A 99 -2.098 -8.068 0.120 1.00 0.63 H new ATOM 0 HB2 MET A 99 -2.981 -6.496 -2.343 1.00 0.70 H new ATOM 0 HB3 MET A 99 -4.090 -7.358 -1.295 1.00 0.70 H new ATOM 0 HG2 MET A 99 -4.130 -5.052 -0.653 1.00 0.93 H new ATOM 0 HG3 MET A 99 -3.324 -5.942 0.623 1.00 0.93 H new ATOM 0 HE1 MET A 99 -0.882 -4.049 -2.705 1.00 2.48 H new ATOM 0 HE2 MET A 99 -2.492 -4.799 -2.820 1.00 2.48 H new ATOM 0 HE3 MET A 99 -2.340 -3.082 -2.378 1.00 2.48 H new ATOM 1541 N LEU A 100 -2.200 -8.973 -3.078 1.00 0.51 N ATOM 1542 CA LEU A 100 -2.341 -10.142 -3.969 1.00 0.55 C ATOM 1543 C LEU A 100 -1.453 -10.042 -5.223 1.00 0.54 C ATOM 1544 O LEU A 100 -1.581 -9.109 -6.019 1.00 0.76 O ATOM 1545 CB LEU A 100 -3.804 -10.320 -4.390 1.00 0.75 C ATOM 1546 CG LEU A 100 -4.754 -9.188 -3.985 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -4.273 -7.852 -4.523 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -6.157 -9.477 -4.481 1.00 1.69 C ATOM 0 H LEU A 100 -2.142 -8.079 -3.566 1.00 0.51 H new ATOM 0 HA LEU A 100 -2.010 -11.010 -3.399 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -3.840 -10.430 -5.474 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -4.175 -11.252 -3.963 1.00 0.75 H new ATOM 0 HG LEU A 100 -4.767 -9.131 -2.897 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -4.966 -7.067 -4.220 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -3.282 -7.635 -4.124 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -4.225 -7.894 -5.611 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -6.822 -8.665 -4.186 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -6.148 -9.563 -5.568 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -6.511 -10.412 -4.046 1.00 1.69 H new ATOM 1560 N PHE A 101 -0.546 -11.016 -5.381 1.00 0.46 N ATOM 1561 CA PHE A 101 0.377 -11.057 -6.521 1.00 0.46 C ATOM 1562 C PHE A 101 -0.315 -11.603 -7.758 1.00 0.51 C ATOM 1563 O PHE A 101 -0.381 -12.810 -7.935 1.00 0.58 O ATOM 1564 CB PHE A 101 1.577 -11.949 -6.197 1.00 0.45 C ATOM 1565 CG PHE A 101 2.650 -11.939 -7.252 1.00 0.51 C ATOM 1566 CD1 PHE A 101 3.368 -10.783 -7.510 1.00 0.56 C ATOM 1567 CD2 PHE A 101 2.946 -13.082 -7.982 1.00 0.58 C ATOM 1568 CE1 PHE A 101 4.358 -10.763 -8.473 1.00 0.65 C ATOM 1569 CE2 PHE A 101 3.936 -13.069 -8.947 1.00 0.68 C ATOM 1570 CZ PHE A 101 4.622 -11.931 -9.214 1.00 0.71 C ATOM 0 H PHE A 101 -0.433 -11.791 -4.728 1.00 0.46 H new ATOM 0 HA PHE A 101 0.712 -10.038 -6.715 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.010 -11.628 -5.250 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.229 -12.972 -6.057 1.00 0.45 H new ATOM 0 HD1 PHE A 101 3.151 -9.885 -6.951 1.00 0.56 H new ATOM 0 HD2 PHE A 101 2.396 -13.992 -7.794 1.00 0.58 H new ATOM 0 HE1 PHE A 101 4.924 -9.861 -8.656 1.00 0.65 H new ATOM 0 HE2 PHE A 101 4.164 -13.973 -9.492 1.00 0.68 H new ATOM 0 HZ PHE A 101 5.370 -11.920 -9.993 1.00 0.71 H new ATOM 1580 N GLY A 102 -0.812 -10.715 -8.611 1.00 0.54 N ATOM 1581 CA GLY A 102 -1.492 -11.139 -9.837 1.00 0.65 C ATOM 1582 C GLY A 102 -2.462 -12.300 -9.630 1.00 0.67 C ATOM 1583 O GLY A 102 -2.812 -12.997 -10.584 1.00 0.99 O ATOM 0 H GLY A 102 -0.760 -9.705 -8.482 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -2.037 -10.291 -10.252 1.00 0.65 H new ATOM 0 HA3 GLY A 102 -0.744 -11.429 -10.575 1.00 0.65 H new ATOM 1587 N ASN A 103 -2.863 -12.515 -8.376 1.00 0.58 N ATOM 1588 CA ASN A 103 -3.773 -13.606 -7.985 1.00 0.64 C ATOM 1589 C ASN A 103 -2.977 -14.892 -7.830 1.00 0.71 C ATOM 1590 O ASN A 103 -3.453 -15.885 -7.282 1.00 1.08 O ATOM 1591 CB ASN A 103 -4.908 -13.815 -8.996 1.00 0.78 C ATOM 1592 CG ASN A 103 -5.682 -12.546 -9.305 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -5.361 -11.462 -8.616 1.00 2.12 O flip ATOM 1594 ND2 ASN A 103 -6.573 -12.547 -10.155 1.00 1.38 N flip ATOM 0 H ASN A 103 -2.565 -11.934 -7.592 1.00 0.58 H new ATOM 0 HA ASN A 103 -4.235 -13.328 -7.038 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.491 -14.212 -9.922 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -5.596 -14.566 -8.608 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -6.790 -13.403 -10.665 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -7.094 -11.692 -10.349 1.00 1.38 H new ATOM 1601 N GLU A 104 -1.746 -14.833 -8.307 1.00 0.53 N ATOM 1602 CA GLU A 104 -0.809 -15.933 -8.241 1.00 0.61 C ATOM 1603 C GLU A 104 -0.686 -16.452 -6.817 1.00 0.64 C ATOM 1604 O GLU A 104 -0.491 -15.669 -5.896 1.00 0.84 O ATOM 1605 CB GLU A 104 0.539 -15.408 -8.720 1.00 0.70 C ATOM 1606 CG GLU A 104 1.017 -16.018 -10.016 1.00 1.16 C ATOM 1607 CD GLU A 104 1.678 -17.368 -9.829 1.00 1.28 C ATOM 1608 OE1 GLU A 104 1.772 -17.828 -8.672 1.00 1.87 O ATOM 1609 OE2 GLU A 104 2.104 -17.969 -10.840 1.00 1.79 O ATOM 0 H GLU A 104 -1.366 -14.002 -8.759 1.00 0.53 H new ATOM 0 HA GLU A 104 -1.152 -16.759 -8.864 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.472 -14.327 -8.843 1.00 0.70 H new ATOM 0 HB3 GLU A 104 1.284 -15.595 -7.947 1.00 0.70 H new ATOM 0 HG2 GLU A 104 0.170 -16.125 -10.694 1.00 1.16 H new ATOM 0 HG3 GLU A 104 1.723 -15.337 -10.492 1.00 1.16 H new ATOM 1616 N VAL A 105 -0.771 -17.765 -6.637 1.00 0.62 N ATOM 1617 CA VAL A 105 -0.644 -18.340 -5.304 1.00 0.66 C ATOM 1618 C VAL A 105 0.813 -18.287 -4.893 1.00 0.70 C ATOM 1619 O VAL A 105 1.662 -18.954 -5.486 1.00 0.83 O ATOM 1620 CB VAL A 105 -1.141 -19.797 -5.249 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -1.069 -20.332 -3.827 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -2.555 -19.903 -5.797 1.00 0.95 C ATOM 0 H VAL A 105 -0.925 -18.442 -7.384 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.264 -17.760 -4.621 1.00 0.66 H new ATOM 0 HB VAL A 105 -0.490 -20.407 -5.875 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -1.424 -21.362 -3.808 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -0.037 -20.297 -3.477 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -1.694 -19.721 -3.176 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -2.887 -20.940 -5.749 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -3.223 -19.280 -5.202 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -2.570 -19.565 -6.833 1.00 0.95 H new ATOM 1632 N ILE A 106 1.108 -17.440 -3.920 1.00 0.65 N ATOM 1633 CA ILE A 106 2.476 -17.244 -3.487 1.00 0.72 C ATOM 1634 C ILE A 106 2.547 -16.655 -2.080 1.00 0.77 C ATOM 1635 O ILE A 106 2.334 -15.460 -1.877 1.00 0.84 O ATOM 1636 CB ILE A 106 3.161 -16.319 -4.514 1.00 0.81 C ATOM 1637 CG1 ILE A 106 4.602 -15.997 -4.142 1.00 0.76 C ATOM 1638 CG2 ILE A 106 2.357 -15.037 -4.683 1.00 1.33 C ATOM 1639 CD1 ILE A 106 5.287 -15.174 -5.211 1.00 0.76 C ATOM 0 H ILE A 106 0.419 -16.880 -3.418 1.00 0.65 H new ATOM 0 HA ILE A 106 2.989 -18.204 -3.438 1.00 0.72 H new ATOM 0 HB ILE A 106 3.191 -16.857 -5.461 1.00 0.81 H new ATOM 0 HG12 ILE A 106 4.621 -15.454 -3.197 1.00 0.76 H new ATOM 0 HG13 ILE A 106 5.154 -16.924 -3.988 1.00 0.76 H new ATOM 0 HG21 ILE A 106 2.850 -14.392 -5.410 1.00 1.33 H new ATOM 0 HG22 ILE A 106 1.354 -15.280 -5.034 1.00 1.33 H new ATOM 0 HG23 ILE A 106 2.291 -14.520 -3.726 1.00 1.33 H new ATOM 0 HD11 ILE A 106 6.313 -14.965 -4.908 1.00 0.76 H new ATOM 0 HD12 ILE A 106 5.292 -15.728 -6.150 1.00 0.76 H new ATOM 0 HD13 ILE A 106 4.751 -14.235 -5.347 1.00 0.76 H new ATOM 1651 N ASN A 107 2.839 -17.515 -1.105 1.00 0.80 N ATOM 1652 CA ASN A 107 2.927 -17.084 0.282 1.00 0.91 C ATOM 1653 C ASN A 107 4.297 -17.381 0.878 1.00 0.92 C ATOM 1654 O ASN A 107 4.928 -18.387 0.556 1.00 1.03 O ATOM 1655 CB ASN A 107 1.863 -17.770 1.132 1.00 1.00 C ATOM 1656 CG ASN A 107 0.673 -18.214 0.320 1.00 1.11 C ATOM 1657 OD1 ASN A 107 -0.461 -17.600 0.586 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 0.775 -19.088 -0.540 1.00 1.12 N flip ATOM 0 H ASN A 107 3.017 -18.508 -1.253 1.00 0.80 H new ATOM 0 HA ASN A 107 2.765 -16.006 0.287 1.00 0.91 H new ATOM 0 HB2 ASN A 107 2.302 -18.635 1.630 1.00 1.00 H new ATOM 0 HB3 ASN A 107 1.531 -17.087 1.914 1.00 1.00 H new ATOM 0 HD21 ASN A 107 1.676 -19.534 -0.709 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -0.042 -19.366 -1.084 1.00 1.12 H new ATOM 1665 N THR A 108 4.723 -16.496 1.767 1.00 0.92 N ATOM 1666 CA THR A 108 6.006 -16.626 2.460 1.00 1.01 C ATOM 1667 C THR A 108 5.967 -15.878 3.793 1.00 1.15 C ATOM 1668 O THR A 108 5.979 -16.487 4.863 1.00 1.79 O ATOM 1669 CB THR A 108 7.151 -16.088 1.596 1.00 1.00 C ATOM 1670 OG1 THR A 108 6.876 -14.768 1.165 1.00 1.66 O ATOM 1671 CG2 THR A 108 7.436 -16.925 0.366 1.00 1.26 C ATOM 0 H THR A 108 4.193 -15.666 2.032 1.00 0.92 H new ATOM 0 HA THR A 108 6.182 -17.685 2.649 1.00 1.01 H new ATOM 0 HB THR A 108 8.030 -16.122 2.240 1.00 1.00 H new ATOM 0 HG1 THR A 108 5.958 -14.719 0.825 1.00 1.66 H new ATOM 0 HG21 THR A 108 8.259 -16.480 -0.194 1.00 1.26 H new ATOM 0 HG22 THR A 108 7.708 -17.936 0.669 1.00 1.26 H new ATOM 0 HG23 THR A 108 6.547 -16.962 -0.263 1.00 1.26 H new ATOM 1679 N GLU A 109 5.911 -14.550 3.710 1.00 0.95 N ATOM 1680 CA GLU A 109 5.858 -13.686 4.887 1.00 1.05 C ATOM 1681 C GLU A 109 5.533 -12.265 4.455 1.00 1.06 C ATOM 1682 O GLU A 109 4.387 -11.823 4.550 1.00 1.32 O ATOM 1683 CB GLU A 109 7.186 -13.720 5.649 1.00 1.20 C ATOM 1684 CG GLU A 109 7.212 -12.821 6.877 1.00 1.46 C ATOM 1685 CD GLU A 109 6.179 -13.216 7.913 1.00 2.13 C ATOM 1686 OE1 GLU A 109 6.252 -14.355 8.418 1.00 2.74 O ATOM 1687 OE2 GLU A 109 5.299 -12.385 8.221 1.00 2.57 O ATOM 0 H GLU A 109 5.901 -14.043 2.825 1.00 0.95 H new ATOM 0 HA GLU A 109 5.078 -14.049 5.557 1.00 1.05 H new ATOM 0 HB2 GLU A 109 7.392 -14.745 5.956 1.00 1.20 H new ATOM 0 HB3 GLU A 109 7.989 -13.422 4.975 1.00 1.20 H new ATOM 0 HG2 GLU A 109 8.204 -12.856 7.327 1.00 1.46 H new ATOM 0 HG3 GLU A 109 7.038 -11.790 6.571 1.00 1.46 H new ATOM 1694 N ARG A 110 6.535 -11.571 3.925 1.00 0.93 N ATOM 1695 CA ARG A 110 6.333 -10.222 3.418 1.00 0.97 C ATOM 1696 C ARG A 110 5.808 -10.338 1.999 1.00 0.79 C ATOM 1697 O ARG A 110 5.714 -9.358 1.261 1.00 0.87 O ATOM 1698 CB ARG A 110 7.633 -9.397 3.436 1.00 1.17 C ATOM 1699 CG ARG A 110 8.714 -9.888 2.475 1.00 1.05 C ATOM 1700 CD ARG A 110 9.356 -11.180 2.955 1.00 1.57 C ATOM 1701 NE ARG A 110 10.496 -11.571 2.130 1.00 2.14 N ATOM 1702 CZ ARG A 110 11.616 -10.858 2.029 1.00 2.68 C ATOM 1703 NH1 ARG A 110 11.754 -9.727 2.710 1.00 2.96 N ATOM 1704 NH2 ARG A 110 12.605 -11.282 1.254 1.00 3.52 N ATOM 0 H ARG A 110 7.489 -11.920 3.836 1.00 0.93 H new ATOM 0 HA ARG A 110 5.622 -9.700 4.059 1.00 0.97 H new ATOM 0 HB2 ARG A 110 7.394 -8.362 3.194 1.00 1.17 H new ATOM 0 HB3 ARG A 110 8.037 -9.402 4.449 1.00 1.17 H new ATOM 0 HG2 ARG A 110 8.279 -10.044 1.488 1.00 1.05 H new ATOM 0 HG3 ARG A 110 9.480 -9.120 2.368 1.00 1.05 H new ATOM 0 HD2 ARG A 110 9.682 -11.059 3.988 1.00 1.57 H new ATOM 0 HD3 ARG A 110 8.613 -11.978 2.946 1.00 1.57 H new ATOM 0 HE ARG A 110 10.430 -12.440 1.601 1.00 2.14 H new ATOM 0 HH11 ARG A 110 11.000 -9.400 3.314 1.00 2.96 H new ATOM 0 HH12 ARG A 110 12.614 -9.185 2.629 1.00 2.96 H new ATOM 0 HH21 ARG A 110 12.508 -12.155 0.735 1.00 3.52 H new ATOM 0 HH22 ARG A 110 13.463 -10.735 1.177 1.00 3.52 H new ATOM 1718 N LEU A 111 5.486 -11.575 1.634 1.00 0.72 N ATOM 1719 CA LEU A 111 4.984 -11.893 0.314 1.00 0.75 C ATOM 1720 C LEU A 111 3.864 -12.934 0.378 1.00 0.66 C ATOM 1721 O LEU A 111 4.107 -14.137 0.271 1.00 0.70 O ATOM 1722 CB LEU A 111 6.144 -12.387 -0.559 1.00 0.95 C ATOM 1723 CG LEU A 111 5.757 -13.114 -1.847 1.00 0.69 C ATOM 1724 CD1 LEU A 111 4.574 -12.447 -2.505 1.00 0.95 C ATOM 1725 CD2 LEU A 111 6.923 -13.123 -2.807 1.00 1.36 C ATOM 0 H LEU A 111 5.568 -12.383 2.251 1.00 0.72 H new ATOM 0 HA LEU A 111 4.557 -10.993 -0.128 1.00 0.75 H new ATOM 0 HB2 LEU A 111 6.764 -11.530 -0.822 1.00 0.95 H new ATOM 0 HB3 LEU A 111 6.763 -13.056 0.039 1.00 0.95 H new ATOM 0 HG LEU A 111 5.486 -14.138 -1.590 1.00 0.69 H new ATOM 0 HD11 LEU A 111 4.317 -12.982 -3.419 1.00 0.95 H new ATOM 0 HD12 LEU A 111 3.723 -12.462 -1.824 1.00 0.95 H new ATOM 0 HD13 LEU A 111 4.827 -11.415 -2.747 1.00 0.95 H new ATOM 0 HD21 LEU A 111 6.637 -13.643 -3.721 1.00 1.36 H new ATOM 0 HD22 LEU A 111 7.206 -12.098 -3.046 1.00 1.36 H new ATOM 0 HD23 LEU A 111 7.769 -13.635 -2.348 1.00 1.36 H new ATOM 1737 N THR A 112 2.639 -12.452 0.545 1.00 0.71 N ATOM 1738 CA THR A 112 1.469 -13.318 0.611 1.00 0.67 C ATOM 1739 C THR A 112 0.358 -12.797 -0.308 1.00 0.66 C ATOM 1740 O THR A 112 -0.141 -11.686 -0.119 1.00 0.82 O ATOM 1741 CB THR A 112 0.973 -13.416 2.055 1.00 0.74 C ATOM 1742 OG1 THR A 112 -0.168 -14.251 2.141 1.00 0.75 O ATOM 1743 CG2 THR A 112 0.608 -12.075 2.661 1.00 0.83 C ATOM 0 H THR A 112 2.429 -11.458 0.638 1.00 0.71 H new ATOM 0 HA THR A 112 1.750 -14.314 0.269 1.00 0.67 H new ATOM 0 HB THR A 112 1.810 -13.832 2.615 1.00 0.74 H new ATOM 0 HG1 THR A 112 -0.467 -14.301 3.073 1.00 0.75 H new ATOM 0 HG21 THR A 112 0.265 -12.220 3.685 1.00 0.83 H new ATOM 0 HG22 THR A 112 1.483 -11.425 2.660 1.00 0.83 H new ATOM 0 HG23 THR A 112 -0.187 -11.615 2.074 1.00 0.83 H new ATOM 1751 N VAL A 113 -0.024 -13.595 -1.309 1.00 0.60 N ATOM 1752 CA VAL A 113 -1.070 -13.187 -2.247 1.00 0.61 C ATOM 1753 C VAL A 113 -2.462 -13.186 -1.577 1.00 0.64 C ATOM 1754 O VAL A 113 -3.241 -12.261 -1.798 1.00 0.80 O ATOM 1755 CB VAL A 113 -1.062 -14.048 -3.536 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -1.411 -15.500 -3.259 1.00 1.27 C ATOM 1757 CG2 VAL A 113 -1.993 -13.457 -4.581 1.00 1.38 C ATOM 0 H VAL A 113 0.371 -14.518 -1.489 1.00 0.60 H new ATOM 0 HA VAL A 113 -0.848 -12.163 -2.546 1.00 0.61 H new ATOM 0 HB VAL A 113 -0.045 -14.034 -3.927 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -1.392 -16.063 -4.192 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -0.684 -15.923 -2.565 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -2.407 -15.557 -2.820 1.00 1.27 H new ATOM 0 HG21 VAL A 113 -1.973 -14.076 -5.478 1.00 1.38 H new ATOM 0 HG22 VAL A 113 -3.008 -13.423 -4.186 1.00 1.38 H new ATOM 0 HG23 VAL A 113 -1.667 -12.447 -4.830 1.00 1.38 H new ATOM 1767 N PRO A 114 -2.806 -14.188 -0.722 1.00 0.61 N ATOM 1768 CA PRO A 114 -4.097 -14.210 -0.025 1.00 0.70 C ATOM 1769 C PRO A 114 -4.108 -13.185 1.086 1.00 0.76 C ATOM 1770 O PRO A 114 -5.057 -13.104 1.864 1.00 0.88 O ATOM 1771 CB PRO A 114 -4.160 -15.616 0.555 1.00 0.68 C ATOM 1772 CG PRO A 114 -2.740 -15.936 0.822 1.00 0.83 C ATOM 1773 CD PRO A 114 -1.992 -15.355 -0.342 1.00 0.63 C ATOM 0 HA PRO A 114 -4.940 -13.976 -0.675 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -4.758 -15.649 1.465 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -4.607 -16.321 -0.146 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -2.406 -15.501 1.764 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -2.584 -17.012 0.895 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -0.979 -15.065 -0.064 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -1.906 -16.069 -1.161 1.00 0.63 H new ATOM 1781 N HIS A 115 -3.025 -12.408 1.121 1.00 0.82 N ATOM 1782 CA HIS A 115 -2.808 -11.343 2.092 1.00 0.95 C ATOM 1783 C HIS A 115 -3.690 -11.444 3.330 1.00 0.86 C ATOM 1784 O HIS A 115 -4.892 -11.207 3.282 1.00 0.88 O ATOM 1785 CB HIS A 115 -2.964 -9.975 1.423 1.00 1.14 C ATOM 1786 CG HIS A 115 -4.295 -9.703 0.772 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -4.735 -8.426 0.493 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -5.258 -10.533 0.301 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -5.906 -8.483 -0.117 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -6.244 -9.749 -0.244 1.00 3.97 N ATOM 0 H HIS A 115 -2.257 -12.507 0.457 1.00 0.82 H new ATOM 0 HA HIS A 115 -1.785 -11.462 2.450 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -2.785 -9.204 2.173 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -2.185 -9.872 0.667 1.00 1.14 H new ATOM 0 HD2 HIS A 115 -5.251 -11.612 0.346 1.00 2.95 H new ATOM 0 HE1 HIS A 115 -6.486 -7.636 -0.454 1.00 4.09 H new ATOM 0 HE2 HIS A 115 -7.101 -10.092 -0.678 1.00 3.97 H new ATOM 1799 N TYR A 116 -3.065 -11.783 4.448 1.00 1.04 N ATOM 1800 CA TYR A 116 -3.772 -11.897 5.715 1.00 1.14 C ATOM 1801 C TYR A 116 -3.755 -10.560 6.456 1.00 1.04 C ATOM 1802 O TYR A 116 -2.769 -9.825 6.389 1.00 1.47 O ATOM 1803 CB TYR A 116 -3.128 -12.988 6.578 1.00 1.62 C ATOM 1804 CG TYR A 116 -3.776 -13.163 7.935 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -5.147 -13.344 8.055 1.00 2.56 C ATOM 1806 CD2 TYR A 116 -3.011 -13.149 9.094 1.00 3.06 C ATOM 1807 CE1 TYR A 116 -5.738 -13.507 9.294 1.00 3.50 C ATOM 1808 CE2 TYR A 116 -3.594 -13.311 10.337 1.00 4.05 C ATOM 1809 CZ TYR A 116 -4.959 -13.489 10.430 1.00 4.18 C ATOM 1810 OH TYR A 116 -5.543 -13.650 11.665 1.00 5.29 O ATOM 0 H TYR A 116 -2.067 -11.984 4.503 1.00 1.04 H new ATOM 0 HA TYR A 116 -4.808 -12.170 5.515 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -3.173 -13.935 6.041 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -2.073 -12.751 6.718 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -5.761 -13.358 7.167 1.00 2.56 H new ATOM 0 HD2 TYR A 116 -1.942 -13.009 9.023 1.00 3.06 H new ATOM 0 HE1 TYR A 116 -6.806 -13.648 9.371 1.00 3.50 H new ATOM 0 HE2 TYR A 116 -2.985 -13.298 11.229 1.00 4.05 H new ATOM 0 HH TYR A 116 -4.853 -13.613 12.360 1.00 5.29 H new ATOM 1820 N ASP A 117 -4.856 -10.263 7.157 1.00 0.77 N ATOM 1821 CA ASP A 117 -5.010 -9.022 7.932 1.00 0.80 C ATOM 1822 C ASP A 117 -5.566 -7.891 7.067 1.00 0.72 C ATOM 1823 O ASP A 117 -6.026 -6.873 7.583 1.00 0.82 O ATOM 1824 CB ASP A 117 -3.682 -8.604 8.585 1.00 1.03 C ATOM 1825 CG ASP A 117 -3.827 -7.429 9.535 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -4.125 -6.311 9.063 1.00 2.22 O ATOM 1827 OD2 ASP A 117 -3.644 -7.627 10.755 1.00 2.46 O ATOM 0 H ASP A 117 -5.669 -10.877 7.204 1.00 0.77 H new ATOM 0 HA ASP A 117 -5.729 -9.222 8.726 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -3.269 -9.454 9.129 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -2.966 -8.346 7.805 1.00 1.03 H new ATOM 1832 N MET A 118 -5.542 -8.077 5.752 1.00 0.69 N ATOM 1833 CA MET A 118 -6.063 -7.074 4.824 1.00 0.72 C ATOM 1834 C MET A 118 -7.554 -6.844 5.061 1.00 0.71 C ATOM 1835 O MET A 118 -8.045 -5.720 4.952 1.00 0.73 O ATOM 1836 CB MET A 118 -5.827 -7.527 3.377 1.00 0.83 C ATOM 1837 CG MET A 118 -6.356 -8.926 3.122 1.00 1.15 C ATOM 1838 SD MET A 118 -8.131 -8.980 2.824 1.00 2.40 S ATOM 1839 CE MET A 118 -8.487 -10.686 3.235 1.00 3.10 C ATOM 0 H MET A 118 -5.168 -8.912 5.302 1.00 0.69 H new ATOM 0 HA MET A 118 -5.536 -6.136 4.997 1.00 0.72 H new ATOM 0 HB2 MET A 118 -6.311 -6.827 2.695 1.00 0.83 H new ATOM 0 HB3 MET A 118 -4.760 -7.498 3.158 1.00 0.83 H new ATOM 0 HG2 MET A 118 -5.838 -9.350 2.262 1.00 1.15 H new ATOM 0 HG3 MET A 118 -6.120 -9.557 3.979 1.00 1.15 H new ATOM 0 HE1 MET A 118 -9.396 -11.002 2.722 1.00 3.10 H new ATOM 0 HE2 MET A 118 -7.655 -11.317 2.921 1.00 3.10 H new ATOM 0 HE3 MET A 118 -8.627 -10.779 4.312 1.00 3.10 H new ATOM 1849 N LYS A 119 -8.271 -7.922 5.380 1.00 0.80 N ATOM 1850 CA LYS A 119 -9.707 -7.852 5.627 1.00 0.95 C ATOM 1851 C LYS A 119 -9.999 -7.022 6.865 1.00 0.99 C ATOM 1852 O LYS A 119 -11.148 -6.677 7.142 1.00 1.24 O ATOM 1853 CB LYS A 119 -10.288 -9.256 5.801 1.00 1.15 C ATOM 1854 CG LYS A 119 -9.685 -10.021 6.971 1.00 1.30 C ATOM 1855 CD LYS A 119 -10.317 -11.395 7.131 1.00 1.70 C ATOM 1856 CE LYS A 119 -10.018 -12.293 5.940 1.00 2.06 C ATOM 1857 NZ LYS A 119 -8.556 -12.520 5.772 1.00 2.67 N ATOM 0 H LYS A 119 -7.876 -8.858 5.473 1.00 0.80 H new ATOM 0 HA LYS A 119 -10.175 -7.376 4.765 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -11.366 -9.180 5.944 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -10.127 -9.823 4.884 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -8.611 -10.130 6.820 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -9.821 -9.449 7.889 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -9.945 -11.863 8.042 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -11.396 -11.289 7.245 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -10.522 -13.251 6.071 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -10.422 -11.842 5.034 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -8.365 -12.849 4.804 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -8.045 -11.631 5.943 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -8.236 -13.239 6.452 1.00 2.67 H new ATOM 1871 N ASN A 120 -8.948 -6.716 7.608 1.00 0.90 N ATOM 1872 CA ASN A 120 -9.074 -5.937 8.825 1.00 1.04 C ATOM 1873 C ASN A 120 -9.039 -4.441 8.547 1.00 1.08 C ATOM 1874 O ASN A 120 -9.043 -3.640 9.482 1.00 1.35 O ATOM 1875 CB ASN A 120 -7.955 -6.306 9.798 1.00 1.08 C ATOM 1876 CG ASN A 120 -8.149 -7.677 10.413 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -7.158 -8.546 10.249 1.00 1.77 O flip ATOM 1878 ND2 ASN A 120 -9.175 -7.952 11.037 1.00 1.84 N flip ATOM 0 H ASN A 120 -7.993 -6.998 7.386 1.00 0.90 H new ATOM 0 HA ASN A 120 -10.042 -6.172 9.268 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -6.999 -6.278 9.275 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -7.906 -5.559 10.591 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -9.912 -7.254 11.139 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -9.287 -8.877 11.451 1.00 1.84 H new ATOM 1885 N ARG A 121 -8.992 -4.049 7.272 1.00 0.93 N ATOM 1886 CA ARG A 121 -8.943 -2.628 6.954 1.00 1.06 C ATOM 1887 C ARG A 121 -9.346 -2.293 5.515 1.00 0.84 C ATOM 1888 O ARG A 121 -8.830 -2.853 4.539 1.00 0.87 O ATOM 1889 CB ARG A 121 -7.552 -2.078 7.267 1.00 1.31 C ATOM 1890 CG ARG A 121 -6.411 -3.042 6.965 1.00 1.14 C ATOM 1891 CD ARG A 121 -6.141 -3.155 5.475 1.00 1.39 C ATOM 1892 NE ARG A 121 -5.030 -4.061 5.184 1.00 1.56 N ATOM 1893 CZ ARG A 121 -3.785 -3.877 5.618 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -3.477 -2.810 6.343 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -2.841 -4.761 5.320 1.00 2.04 N ATOM 0 H ARG A 121 -8.987 -4.676 6.468 1.00 0.93 H new ATOM 0 HA ARG A 121 -9.690 -2.145 7.583 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -7.399 -1.163 6.695 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -7.511 -1.805 8.322 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -5.507 -2.705 7.473 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -6.653 -4.027 7.365 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -7.039 -3.510 4.970 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -5.918 -2.167 5.072 1.00 1.39 H new ATOM 0 HE ARG A 121 -5.221 -4.885 4.613 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -4.196 -2.124 6.572 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -2.521 -2.676 6.672 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -3.069 -5.581 4.758 1.00 2.04 H new ATOM 0 HH22 ARG A 121 -1.887 -4.620 5.652 1.00 2.04 H new ATOM 1909 N GLY A 122 -10.261 -1.335 5.404 1.00 0.73 N ATOM 1910 CA GLY A 122 -10.721 -0.877 4.112 1.00 0.60 C ATOM 1911 C GLY A 122 -9.749 0.100 3.508 1.00 0.57 C ATOM 1912 O GLY A 122 -9.858 0.454 2.335 1.00 0.59 O ATOM 0 H GLY A 122 -10.695 -0.865 6.198 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -10.848 -1.729 3.444 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -11.698 -0.406 4.216 1.00 0.60 H new ATOM 1916 N PHE A 123 -8.780 0.532 4.314 1.00 0.65 N ATOM 1917 CA PHE A 123 -7.773 1.461 3.841 1.00 0.72 C ATOM 1918 C PHE A 123 -6.683 0.707 3.089 1.00 0.80 C ATOM 1919 O PHE A 123 -5.502 1.039 3.154 1.00 1.14 O ATOM 1920 CB PHE A 123 -7.205 2.308 4.996 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.605 1.545 6.150 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -5.484 0.753 5.953 1.00 1.47 C ATOM 1923 CD2 PHE A 123 -7.176 1.580 7.413 1.00 1.10 C ATOM 1924 CE1 PHE A 123 -4.942 0.017 6.991 1.00 2.04 C ATOM 1925 CE2 PHE A 123 -6.637 0.851 8.454 1.00 1.49 C ATOM 1926 CZ PHE A 123 -5.475 0.205 8.311 1.00 1.98 C ATOM 0 H PHE A 123 -8.677 0.252 5.289 1.00 0.65 H new ATOM 0 HA PHE A 123 -8.237 2.160 3.146 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -6.441 2.972 4.590 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -8.004 2.940 5.382 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -5.028 0.710 4.975 1.00 1.47 H new ATOM 0 HD2 PHE A 123 -8.054 2.185 7.585 1.00 1.10 H new ATOM 0 HE1 PHE A 123 -4.138 -0.682 6.813 1.00 2.04 H new ATOM 0 HE2 PHE A 123 -7.161 0.802 9.397 1.00 1.49 H new ATOM 0 HZ PHE A 123 -4.946 -0.169 9.175 1.00 1.98 H new ATOM 1936 N MET A 124 -7.115 -0.314 2.357 1.00 0.62 N ATOM 1937 CA MET A 124 -6.220 -1.135 1.563 1.00 0.68 C ATOM 1938 C MET A 124 -7.023 -1.995 0.592 1.00 0.64 C ATOM 1939 O MET A 124 -6.635 -2.169 -0.564 1.00 0.68 O ATOM 1940 CB MET A 124 -5.350 -2.015 2.457 1.00 0.80 C ATOM 1941 CG MET A 124 -4.286 -2.779 1.692 1.00 1.00 C ATOM 1942 SD MET A 124 -3.305 -1.705 0.627 1.00 1.91 S ATOM 1943 CE MET A 124 -2.738 -0.480 1.807 1.00 2.23 C ATOM 0 H MET A 124 -8.095 -0.592 2.300 1.00 0.62 H new ATOM 0 HA MET A 124 -5.563 -0.477 0.994 1.00 0.68 H new ATOM 0 HB2 MET A 124 -4.869 -1.392 3.211 1.00 0.80 H new ATOM 0 HB3 MET A 124 -5.986 -2.724 2.987 1.00 0.80 H new ATOM 0 HG2 MET A 124 -3.628 -3.286 2.398 1.00 1.00 H new ATOM 0 HG3 MET A 124 -4.761 -3.551 1.087 1.00 1.00 H new ATOM 0 HE1 MET A 124 -2.019 0.183 1.326 1.00 2.23 H new ATOM 0 HE2 MET A 124 -3.587 0.103 2.163 1.00 2.23 H new ATOM 0 HE3 MET A 124 -2.263 -0.980 2.651 1.00 2.23 H new ATOM 1953 N LEU A 125 -8.153 -2.525 1.064 1.00 0.61 N ATOM 1954 CA LEU A 125 -9.001 -3.355 0.223 1.00 0.62 C ATOM 1955 C LEU A 125 -9.892 -2.501 -0.676 1.00 0.56 C ATOM 1956 O LEU A 125 -10.089 -2.822 -1.849 1.00 0.63 O ATOM 1957 CB LEU A 125 -9.838 -4.301 1.083 1.00 0.67 C ATOM 1958 CG LEU A 125 -9.023 -5.220 2.000 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -9.919 -6.255 2.657 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -7.901 -5.904 1.232 1.00 1.16 C ATOM 0 H LEU A 125 -8.495 -2.393 2.016 1.00 0.61 H new ATOM 0 HA LEU A 125 -8.359 -3.953 -0.424 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -10.518 -3.708 1.696 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -10.454 -4.917 0.428 1.00 0.67 H new ATOM 0 HG LEU A 125 -8.576 -4.602 2.779 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -9.320 -6.897 3.303 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -10.682 -5.751 3.251 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -10.399 -6.861 1.889 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -7.339 -6.550 1.907 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -8.324 -6.503 0.426 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -7.235 -5.150 0.813 1.00 1.16 H new ATOM 1972 N TRP A 126 -10.413 -1.401 -0.137 1.00 0.48 N ATOM 1973 CA TRP A 126 -11.257 -0.506 -0.921 1.00 0.48 C ATOM 1974 C TRP A 126 -10.445 0.174 -2.033 1.00 0.47 C ATOM 1975 O TRP A 126 -10.825 0.112 -3.202 1.00 0.48 O ATOM 1976 CB TRP A 126 -11.934 0.547 -0.032 1.00 0.52 C ATOM 1977 CG TRP A 126 -12.456 1.718 -0.805 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -12.271 3.033 -0.508 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -13.239 1.679 -2.005 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -12.885 3.821 -1.453 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -13.486 3.011 -2.383 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -13.752 0.648 -2.798 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -14.223 3.337 -3.518 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -14.484 0.974 -3.925 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -14.713 2.309 -4.276 1.00 3.03 C ATOM 0 H TRP A 126 -10.267 -1.111 0.830 1.00 0.48 H new ATOM 0 HA TRP A 126 -12.039 -1.110 -1.381 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -12.757 0.081 0.511 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -11.220 0.899 0.712 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -11.722 3.404 0.345 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -12.892 4.841 -1.461 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -13.580 -0.385 -2.535 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -14.402 4.367 -3.791 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -14.885 0.185 -4.544 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -15.288 2.532 -5.163 1.00 3.03 H new ATOM 1996 N PRO A 127 -9.314 0.830 -1.698 1.00 0.50 N ATOM 1997 CA PRO A 127 -8.466 1.504 -2.691 1.00 0.54 C ATOM 1998 C PRO A 127 -8.079 0.575 -3.832 1.00 0.53 C ATOM 1999 O PRO A 127 -8.255 0.903 -5.005 1.00 0.56 O ATOM 2000 CB PRO A 127 -7.214 1.904 -1.893 1.00 0.61 C ATOM 2001 CG PRO A 127 -7.296 1.122 -0.626 1.00 0.61 C ATOM 2002 CD PRO A 127 -8.758 0.969 -0.346 1.00 0.55 C ATOM 0 HA PRO A 127 -8.978 2.347 -3.154 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -6.303 1.668 -2.444 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -7.198 2.976 -1.695 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -6.813 0.151 -0.732 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -6.792 1.641 0.189 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -8.966 0.096 0.273 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -9.166 1.834 0.176 1.00 0.55 H new ATOM 2010 N LEU A 128 -7.550 -0.586 -3.470 1.00 0.53 N ATOM 2011 CA LEU A 128 -7.132 -1.580 -4.447 1.00 0.56 C ATOM 2012 C LEU A 128 -8.330 -2.031 -5.279 1.00 0.54 C ATOM 2013 O LEU A 128 -8.168 -2.551 -6.383 1.00 0.61 O ATOM 2014 CB LEU A 128 -6.497 -2.771 -3.724 1.00 0.63 C ATOM 2015 CG LEU A 128 -5.471 -3.579 -4.527 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -4.334 -2.686 -5.002 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -4.927 -4.719 -3.683 1.00 1.55 C ATOM 0 H LEU A 128 -7.400 -0.863 -2.500 1.00 0.53 H new ATOM 0 HA LEU A 128 -6.394 -1.142 -5.119 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -6.012 -2.404 -2.819 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -7.293 -3.445 -3.408 1.00 0.63 H new ATOM 0 HG LEU A 128 -5.969 -3.994 -5.403 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -3.618 -3.280 -5.570 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -4.733 -1.895 -5.637 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -3.835 -2.242 -4.140 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -4.199 -5.286 -4.263 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -4.446 -4.315 -2.793 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -5.745 -5.375 -3.387 1.00 1.55 H new ATOM 2029 N PHE A 129 -9.536 -1.817 -4.746 1.00 0.50 N ATOM 2030 CA PHE A 129 -10.756 -2.193 -5.454 1.00 0.51 C ATOM 2031 C PHE A 129 -11.037 -1.213 -6.587 1.00 0.53 C ATOM 2032 O PHE A 129 -11.297 -1.609 -7.719 1.00 0.70 O ATOM 2033 CB PHE A 129 -11.961 -2.222 -4.520 1.00 0.49 C ATOM 2034 CG PHE A 129 -13.199 -2.793 -5.165 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -14.059 -1.978 -5.885 1.00 0.62 C ATOM 2036 CD2 PHE A 129 -13.501 -4.146 -5.052 1.00 0.60 C ATOM 2037 CE1 PHE A 129 -15.192 -2.497 -6.483 1.00 0.73 C ATOM 2038 CE2 PHE A 129 -14.634 -4.668 -5.646 1.00 0.71 C ATOM 2039 CZ PHE A 129 -15.479 -3.843 -6.364 1.00 0.75 C ATOM 0 H PHE A 129 -9.690 -1.388 -3.833 1.00 0.50 H new ATOM 0 HA PHE A 129 -10.598 -3.194 -5.856 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -11.714 -2.812 -3.637 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -12.172 -1.209 -4.178 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -13.841 -0.924 -5.980 1.00 0.62 H new ATOM 0 HD2 PHE A 129 -12.843 -4.795 -4.494 1.00 0.60 H new ATOM 0 HE1 PHE A 129 -15.852 -1.851 -7.043 1.00 0.73 H new ATOM 0 HE2 PHE A 129 -14.859 -5.720 -5.549 1.00 0.71 H new ATOM 0 HZ PHE A 129 -16.363 -4.250 -6.832 1.00 0.75 H new ATOM 2049 N GLU A 130 -10.992 0.074 -6.258 1.00 0.43 N ATOM 2050 CA GLU A 130 -11.253 1.127 -7.234 1.00 0.49 C ATOM 2051 C GLU A 130 -10.255 1.076 -8.386 1.00 0.53 C ATOM 2052 O GLU A 130 -10.640 1.149 -9.554 1.00 0.68 O ATOM 2053 CB GLU A 130 -11.200 2.498 -6.557 1.00 0.54 C ATOM 2054 CG GLU A 130 -11.514 3.655 -7.494 1.00 0.99 C ATOM 2055 CD GLU A 130 -12.897 3.550 -8.107 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -13.886 3.536 -7.343 1.00 2.40 O ATOM 2057 OE2 GLU A 130 -12.993 3.483 -9.350 1.00 2.04 O ATOM 0 H GLU A 130 -10.777 0.414 -5.321 1.00 0.43 H new ATOM 0 HA GLU A 130 -12.250 0.965 -7.643 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -11.907 2.511 -5.728 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -10.207 2.645 -6.132 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -11.434 4.594 -6.946 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -10.769 3.686 -8.289 1.00 0.99 H new ATOM 2064 N ILE A 131 -8.976 0.955 -8.053 1.00 0.48 N ATOM 2065 CA ILE A 131 -7.930 0.899 -9.066 1.00 0.56 C ATOM 2066 C ILE A 131 -7.920 -0.451 -9.775 1.00 0.52 C ATOM 2067 O ILE A 131 -7.552 -0.544 -10.946 1.00 0.64 O ATOM 2068 CB ILE A 131 -6.537 1.157 -8.460 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -6.187 0.075 -7.435 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -6.490 2.539 -7.821 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -4.791 0.210 -6.866 1.00 1.41 C ATOM 0 H ILE A 131 -8.639 0.894 -7.092 1.00 0.48 H new ATOM 0 HA ILE A 131 -8.153 1.685 -9.787 1.00 0.56 H new ATOM 0 HB ILE A 131 -5.797 1.119 -9.259 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -6.908 0.112 -6.619 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -6.286 -0.904 -7.904 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -5.501 2.710 -7.396 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -6.696 3.297 -8.577 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -7.239 2.601 -7.032 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -4.612 -0.590 -6.147 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -4.061 0.143 -7.673 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -4.693 1.174 -6.368 1.00 1.41 H new ATOM 2083 N ALA A 132 -8.324 -1.495 -9.059 1.00 0.53 N ATOM 2084 CA ALA A 132 -8.357 -2.838 -9.625 1.00 0.58 C ATOM 2085 C ALA A 132 -9.421 -3.700 -8.949 1.00 0.56 C ATOM 2086 O ALA A 132 -9.117 -4.479 -8.045 1.00 0.63 O ATOM 2087 CB ALA A 132 -6.989 -3.492 -9.503 1.00 0.73 C ATOM 0 H ALA A 132 -8.632 -1.437 -8.088 1.00 0.53 H new ATOM 0 HA ALA A 132 -8.618 -2.753 -10.680 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -7.026 -4.495 -9.929 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -6.252 -2.896 -10.041 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -6.708 -3.555 -8.452 1.00 0.73 H new ATOM 2093 N PRO A 133 -10.687 -3.582 -9.388 1.00 0.63 N ATOM 2094 CA PRO A 133 -11.789 -4.363 -8.828 1.00 0.66 C ATOM 2095 C PRO A 133 -11.853 -5.757 -9.441 1.00 0.88 C ATOM 2096 O PRO A 133 -12.846 -6.470 -9.295 1.00 1.24 O ATOM 2097 CB PRO A 133 -13.017 -3.549 -9.228 1.00 0.79 C ATOM 2098 CG PRO A 133 -12.637 -2.906 -10.519 1.00 0.82 C ATOM 2099 CD PRO A 133 -11.143 -2.689 -10.473 1.00 0.81 C ATOM 0 HA PRO A 133 -11.694 -4.520 -7.754 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -13.894 -4.186 -9.345 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -13.263 -2.804 -8.471 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -12.910 -3.540 -11.362 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -13.162 -1.959 -10.649 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -10.673 -2.943 -11.423 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -10.897 -1.648 -10.264 1.00 0.81 H new ATOM 2107 N GLU A 134 -10.784 -6.128 -10.139 1.00 0.90 N ATOM 2108 CA GLU A 134 -10.704 -7.426 -10.794 1.00 1.12 C ATOM 2109 C GLU A 134 -9.571 -8.263 -10.211 1.00 1.08 C ATOM 2110 O GLU A 134 -9.271 -9.349 -10.708 1.00 1.25 O ATOM 2111 CB GLU A 134 -10.498 -7.246 -12.300 1.00 1.34 C ATOM 2112 CG GLU A 134 -11.625 -6.486 -12.983 1.00 1.87 C ATOM 2113 CD GLU A 134 -12.960 -7.194 -12.865 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -13.073 -8.336 -13.357 1.00 2.50 O ATOM 2115 OE2 GLU A 134 -13.894 -6.605 -12.281 1.00 2.61 O ATOM 0 H GLU A 134 -9.958 -5.543 -10.265 1.00 0.90 H new ATOM 0 HA GLU A 134 -11.643 -7.951 -10.621 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -9.560 -6.717 -12.469 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -10.399 -8.227 -12.764 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -11.705 -5.491 -12.545 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -11.381 -6.351 -14.037 1.00 1.87 H new ATOM 2122 N LEU A 135 -8.954 -7.759 -9.144 1.00 0.99 N ATOM 2123 CA LEU A 135 -7.869 -8.476 -8.489 1.00 1.03 C ATOM 2124 C LEU A 135 -8.430 -9.720 -7.832 1.00 1.50 C ATOM 2125 O LEU A 135 -7.760 -10.746 -7.721 1.00 2.32 O ATOM 2126 CB LEU A 135 -7.182 -7.583 -7.453 1.00 1.00 C ATOM 2127 CG LEU A 135 -5.676 -7.406 -7.653 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -4.981 -8.757 -7.652 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -5.394 -6.659 -8.948 1.00 2.26 C ATOM 0 H LEU A 135 -9.187 -6.862 -8.719 1.00 0.99 H new ATOM 0 HA LEU A 135 -7.122 -8.761 -9.230 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -7.654 -6.601 -7.471 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -7.355 -8.002 -6.462 1.00 1.00 H new ATOM 0 HG LEU A 135 -5.283 -6.815 -6.826 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -3.910 -8.615 -7.795 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -5.157 -9.256 -6.699 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -5.377 -9.371 -8.461 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -4.318 -6.542 -9.074 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -5.798 -7.223 -9.789 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -5.864 -5.676 -8.911 1.00 2.26 H new ATOM 2141 N VAL A 136 -9.692 -9.606 -7.441 1.00 1.65 N ATOM 2142 CA VAL A 136 -10.440 -10.691 -6.827 1.00 2.11 C ATOM 2143 C VAL A 136 -9.590 -11.630 -5.969 1.00 1.98 C ATOM 2144 O VAL A 136 -9.475 -12.815 -6.276 1.00 2.82 O ATOM 2145 CB VAL A 136 -11.167 -11.515 -7.909 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -12.227 -10.672 -8.598 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -10.185 -12.069 -8.932 1.00 3.66 C ATOM 0 H VAL A 136 -10.231 -8.746 -7.543 1.00 1.65 H new ATOM 0 HA VAL A 136 -11.153 -10.212 -6.156 1.00 2.11 H new ATOM 0 HB VAL A 136 -11.653 -12.357 -7.417 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -12.730 -11.270 -9.358 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -12.956 -10.332 -7.863 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -11.756 -9.808 -9.068 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -10.727 -12.645 -9.682 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -9.661 -11.245 -9.416 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -9.463 -12.714 -8.431 1.00 3.66 H new ATOM 2157 N PHE A 137 -9.031 -11.116 -4.869 1.00 1.34 N ATOM 2158 CA PHE A 137 -8.235 -11.958 -3.959 1.00 1.66 C ATOM 2159 C PHE A 137 -7.200 -12.771 -4.758 1.00 1.18 C ATOM 2160 O PHE A 137 -7.078 -12.589 -5.970 1.00 1.57 O ATOM 2161 CB PHE A 137 -9.208 -12.899 -3.228 1.00 2.23 C ATOM 2162 CG PHE A 137 -9.044 -12.997 -1.732 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -8.417 -11.975 -1.034 1.00 3.88 C ATOM 2164 CD2 PHE A 137 -9.531 -14.081 -1.025 1.00 3.49 C ATOM 2165 CE1 PHE A 137 -8.277 -12.034 0.336 1.00 4.85 C ATOM 2166 CE2 PHE A 137 -9.391 -14.147 0.346 1.00 4.44 C ATOM 2167 CZ PHE A 137 -8.718 -13.230 1.016 1.00 5.09 C ATOM 0 H PHE A 137 -9.110 -10.139 -4.587 1.00 1.34 H new ATOM 0 HA PHE A 137 -7.692 -11.342 -3.242 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -10.226 -12.571 -3.440 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -9.100 -13.898 -3.650 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -8.033 -11.121 -1.572 1.00 3.88 H new ATOM 0 HD2 PHE A 137 -10.026 -14.884 -1.551 1.00 3.49 H new ATOM 0 HE1 PHE A 137 -7.849 -11.209 0.886 1.00 4.85 H new ATOM 0 HE2 PHE A 137 -9.842 -14.968 0.883 1.00 4.44 H new ATOM 0 HZ PHE A 137 -8.499 -13.373 2.064 1.00 5.09 H new ATOM 2177 N PRO A 138 -6.459 -13.710 -4.129 1.00 0.88 N ATOM 2178 CA PRO A 138 -5.510 -14.540 -4.851 1.00 0.92 C ATOM 2179 C PRO A 138 -6.263 -15.693 -5.493 1.00 1.20 C ATOM 2180 O PRO A 138 -5.911 -16.181 -6.567 1.00 1.94 O ATOM 2181 CB PRO A 138 -4.610 -15.032 -3.727 1.00 1.24 C ATOM 2182 CG PRO A 138 -5.565 -15.264 -2.629 1.00 1.68 C ATOM 2183 CD PRO A 138 -6.501 -14.092 -2.701 1.00 1.44 C ATOM 0 HA PRO A 138 -4.963 -14.038 -5.649 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -4.079 -15.943 -4.002 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -3.856 -14.293 -3.459 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -6.097 -16.207 -2.756 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -5.059 -15.311 -1.665 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -7.509 -14.362 -2.386 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -6.174 -13.276 -2.057 1.00 1.44 H new ATOM 2191 N ASP A 139 -7.327 -16.106 -4.802 1.00 1.07 N ATOM 2192 CA ASP A 139 -8.187 -17.192 -5.262 1.00 1.62 C ATOM 2193 C ASP A 139 -9.393 -16.666 -6.048 1.00 1.65 C ATOM 2194 O ASP A 139 -9.703 -17.180 -7.124 1.00 2.28 O ATOM 2195 CB ASP A 139 -8.671 -18.027 -4.073 1.00 2.26 C ATOM 2196 CG ASP A 139 -7.538 -18.757 -3.376 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -6.611 -18.080 -2.885 1.00 3.20 O ATOM 2198 OD2 ASP A 139 -7.577 -20.003 -3.321 1.00 3.67 O ATOM 0 H ASP A 139 -7.614 -15.698 -3.912 1.00 1.07 H new ATOM 0 HA ASP A 139 -7.594 -17.817 -5.930 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -9.174 -17.377 -3.358 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -9.408 -18.752 -4.418 1.00 2.26 H new ATOM 2203 N GLY A 140 -10.073 -15.644 -5.516 1.00 1.25 N ATOM 2204 CA GLY A 140 -11.234 -15.093 -6.218 1.00 1.72 C ATOM 2205 C GLY A 140 -12.184 -14.293 -5.331 1.00 1.31 C ATOM 2206 O GLY A 140 -13.378 -14.584 -5.279 1.00 1.85 O ATOM 0 H GLY A 140 -9.848 -15.194 -4.629 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -10.884 -14.451 -7.027 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -11.788 -15.912 -6.678 1.00 1.72 H new ATOM 2210 N GLU A 141 -11.655 -13.273 -4.658 1.00 0.75 N ATOM 2211 CA GLU A 141 -12.449 -12.402 -3.780 1.00 0.94 C ATOM 2212 C GLU A 141 -11.894 -10.976 -3.775 1.00 0.82 C ATOM 2213 O GLU A 141 -10.911 -10.697 -3.091 1.00 1.19 O ATOM 2214 CB GLU A 141 -12.452 -12.926 -2.340 1.00 1.56 C ATOM 2215 CG GLU A 141 -13.677 -13.743 -1.957 1.00 1.38 C ATOM 2216 CD GLU A 141 -13.727 -15.097 -2.633 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -12.743 -15.858 -2.513 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -14.744 -15.394 -3.295 1.00 2.47 O ATOM 0 H GLU A 141 -10.667 -13.024 -4.703 1.00 0.75 H new ATOM 0 HA GLU A 141 -13.467 -12.399 -4.170 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -11.563 -13.539 -2.190 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -12.372 -12.078 -1.660 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -13.689 -13.883 -0.876 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -14.575 -13.182 -2.215 1.00 1.38 H new ATOM 2225 N MET A 142 -12.524 -10.071 -4.522 1.00 0.57 N ATOM 2226 CA MET A 142 -12.070 -8.685 -4.575 1.00 0.54 C ATOM 2227 C MET A 142 -11.733 -8.183 -3.181 1.00 0.58 C ATOM 2228 O MET A 142 -12.524 -8.331 -2.256 1.00 0.92 O ATOM 2229 CB MET A 142 -13.135 -7.788 -5.199 1.00 0.57 C ATOM 2230 CG MET A 142 -13.518 -8.194 -6.606 1.00 0.67 C ATOM 2231 SD MET A 142 -14.727 -9.531 -6.657 1.00 1.32 S ATOM 2232 CE MET A 142 -16.205 -8.670 -6.125 1.00 1.58 C ATOM 0 H MET A 142 -13.344 -10.271 -5.094 1.00 0.57 H new ATOM 0 HA MET A 142 -11.174 -8.649 -5.195 1.00 0.54 H new ATOM 0 HB2 MET A 142 -14.025 -7.803 -4.570 1.00 0.57 H new ATOM 0 HB3 MET A 142 -12.771 -6.761 -5.212 1.00 0.57 H new ATOM 0 HG2 MET A 142 -13.922 -7.328 -7.130 1.00 0.67 H new ATOM 0 HG3 MET A 142 -12.622 -8.503 -7.145 1.00 0.67 H new ATOM 0 HE1 MET A 142 -16.805 -9.330 -5.499 1.00 1.58 H new ATOM 0 HE2 MET A 142 -15.925 -7.785 -5.554 1.00 1.58 H new ATOM 0 HE3 MET A 142 -16.785 -8.370 -6.998 1.00 1.58 H new ATOM 2242 N LEU A 143 -10.551 -7.600 -3.036 1.00 0.55 N ATOM 2243 CA LEU A 143 -10.105 -7.090 -1.745 1.00 0.62 C ATOM 2244 C LEU A 143 -11.234 -6.404 -0.991 1.00 0.56 C ATOM 2245 O LEU A 143 -11.560 -6.769 0.136 1.00 0.60 O ATOM 2246 CB LEU A 143 -8.934 -6.109 -1.889 1.00 0.76 C ATOM 2247 CG LEU A 143 -8.600 -5.584 -3.296 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -7.962 -6.671 -4.148 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -9.834 -5.023 -3.986 1.00 1.70 C ATOM 0 H LEU A 143 -9.883 -7.468 -3.796 1.00 0.55 H new ATOM 0 HA LEU A 143 -9.771 -7.959 -1.178 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -9.139 -5.249 -1.252 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -8.042 -6.594 -1.493 1.00 0.76 H new ATOM 0 HG LEU A 143 -7.881 -4.773 -3.179 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -7.736 -6.273 -5.137 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -7.041 -7.010 -3.675 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -8.651 -7.510 -4.243 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -9.563 -4.661 -4.978 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -10.587 -5.806 -4.079 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -10.238 -4.200 -3.397 1.00 1.70 H new ATOM 2261 N ARG A 144 -11.798 -5.394 -1.613 1.00 0.53 N ATOM 2262 CA ARG A 144 -12.868 -4.614 -1.025 1.00 0.52 C ATOM 2263 C ARG A 144 -14.099 -5.422 -0.671 1.00 0.61 C ATOM 2264 O ARG A 144 -14.622 -5.297 0.424 1.00 0.69 O ATOM 2265 CB ARG A 144 -13.254 -3.490 -1.965 1.00 0.53 C ATOM 2266 CG ARG A 144 -14.578 -2.813 -1.652 1.00 0.58 C ATOM 2267 CD ARG A 144 -15.753 -3.524 -2.307 1.00 0.85 C ATOM 2268 NE ARG A 144 -17.005 -2.800 -2.118 1.00 1.18 N ATOM 2269 CZ ARG A 144 -18.167 -3.184 -2.640 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -18.236 -4.287 -3.376 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -19.261 -2.464 -2.428 1.00 2.16 N ATOM 0 H ARG A 144 -11.527 -5.087 -2.547 1.00 0.53 H new ATOM 0 HA ARG A 144 -12.478 -4.223 -0.085 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -12.466 -2.737 -1.949 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -13.297 -3.885 -2.980 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -14.726 -2.788 -0.572 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -14.545 -1.778 -1.993 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -15.558 -3.639 -3.373 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -15.848 -4.527 -1.890 1.00 0.85 H new ATOM 0 HE ARG A 144 -16.989 -1.951 -1.553 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -17.397 -4.842 -3.542 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -19.128 -4.579 -3.775 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -19.212 -1.615 -1.864 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -20.151 -2.759 -2.829 1.00 2.16 H new ATOM 2285 N GLN A 145 -14.602 -6.224 -1.578 1.00 0.76 N ATOM 2286 CA GLN A 145 -15.803 -6.968 -1.244 1.00 0.92 C ATOM 2287 C GLN A 145 -15.544 -7.792 0.022 1.00 0.89 C ATOM 2288 O GLN A 145 -16.479 -8.188 0.722 1.00 0.97 O ATOM 2289 CB GLN A 145 -16.320 -7.794 -2.426 1.00 1.21 C ATOM 2290 CG GLN A 145 -15.362 -8.847 -2.897 1.00 0.96 C ATOM 2291 CD GLN A 145 -15.351 -10.027 -1.965 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -14.263 -10.171 -1.251 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -16.318 -10.784 -1.877 1.00 1.87 N flip ATOM 0 H GLN A 145 -14.224 -6.378 -2.513 1.00 0.76 H new ATOM 0 HA GLN A 145 -16.614 -6.273 -1.028 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -17.257 -8.271 -2.141 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -16.543 -7.123 -3.255 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -15.640 -9.174 -3.899 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -14.359 -8.425 -2.966 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -17.143 -10.628 -2.457 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -16.295 -11.568 -1.224 1.00 1.87 H new ATOM 2302 N ILE A 146 -14.253 -7.975 0.353 1.00 0.85 N ATOM 2303 CA ILE A 146 -13.865 -8.670 1.577 1.00 0.90 C ATOM 2304 C ILE A 146 -14.003 -7.718 2.753 1.00 0.85 C ATOM 2305 O ILE A 146 -14.533 -8.081 3.799 1.00 1.01 O ATOM 2306 CB ILE A 146 -12.393 -9.128 1.584 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -11.981 -9.763 0.268 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -12.156 -10.100 2.728 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -10.489 -9.733 0.057 1.00 1.06 C ATOM 0 H ILE A 146 -13.469 -7.650 -0.213 1.00 0.85 H new ATOM 0 HA ILE A 146 -14.514 -9.544 1.642 1.00 0.90 H new ATOM 0 HB ILE A 146 -11.777 -8.240 1.723 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -12.328 -10.796 0.242 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -12.472 -9.241 -0.553 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -11.113 -10.418 2.725 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -12.383 -9.610 3.675 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -12.801 -10.970 2.606 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -10.247 -10.199 -0.898 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -10.143 -8.700 0.054 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -9.997 -10.279 0.862 1.00 1.06 H new ATOM 2321 N LEU A 147 -13.493 -6.492 2.573 1.00 0.72 N ATOM 2322 CA LEU A 147 -13.542 -5.490 3.637 1.00 0.75 C ATOM 2323 C LEU A 147 -14.925 -4.875 3.702 1.00 0.71 C ATOM 2324 O LEU A 147 -15.284 -4.198 4.663 1.00 0.81 O ATOM 2325 CB LEU A 147 -12.417 -4.445 3.455 1.00 0.92 C ATOM 2326 CG LEU A 147 -12.741 -3.066 2.849 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -13.456 -3.160 1.526 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -13.523 -2.190 3.814 1.00 1.66 C ATOM 0 H LEU A 147 -13.048 -6.176 1.711 1.00 0.72 H new ATOM 0 HA LEU A 147 -13.360 -5.966 4.600 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -11.972 -4.273 4.435 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -11.648 -4.901 2.832 1.00 0.92 H new ATOM 0 HG LEU A 147 -11.776 -2.594 2.663 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -13.657 -2.157 1.149 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -12.832 -3.697 0.812 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -14.397 -3.693 1.658 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -13.730 -1.228 3.346 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -14.463 -2.679 4.069 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -12.938 -2.034 4.720 1.00 1.66 H new ATOM 2340 N HIS A 148 -15.707 -5.164 2.687 1.00 0.71 N ATOM 2341 CA HIS A 148 -17.068 -4.694 2.615 1.00 0.76 C ATOM 2342 C HIS A 148 -17.928 -5.556 3.521 1.00 0.83 C ATOM 2343 O HIS A 148 -18.866 -5.080 4.163 1.00 0.92 O ATOM 2344 CB HIS A 148 -17.554 -4.773 1.168 1.00 0.79 C ATOM 2345 CG HIS A 148 -18.964 -4.300 0.975 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -19.627 -4.373 -0.231 1.00 1.04 N ATOM 2347 CD2 HIS A 148 -19.831 -3.730 1.845 1.00 1.02 C ATOM 2348 CE1 HIS A 148 -20.841 -3.871 -0.095 1.00 1.20 C ATOM 2349 NE2 HIS A 148 -20.990 -3.474 1.155 1.00 1.19 N ATOM 0 H HIS A 148 -15.416 -5.731 1.890 1.00 0.71 H new ATOM 0 HA HIS A 148 -17.133 -3.657 2.944 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -16.892 -4.177 0.539 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -17.477 -5.805 0.825 1.00 0.79 H new ATOM 0 HD2 HIS A 148 -19.645 -3.517 2.887 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -21.585 -3.798 -0.874 1.00 1.20 H new ATOM 0 HE2 HIS A 148 -21.830 -3.046 1.545 1.00 1.19 H new ATOM 2358 N THR A 149 -17.588 -6.836 3.570 1.00 0.86 N ATOM 2359 CA THR A 149 -18.317 -7.789 4.396 1.00 0.97 C ATOM 2360 C THR A 149 -17.586 -8.076 5.709 1.00 1.00 C ATOM 2361 O THR A 149 -18.176 -8.607 6.648 1.00 1.13 O ATOM 2362 CB THR A 149 -18.528 -9.094 3.629 1.00 1.02 C ATOM 2363 OG1 THR A 149 -17.289 -9.635 3.205 1.00 1.35 O ATOM 2364 CG2 THR A 149 -19.404 -8.935 2.407 1.00 1.48 C ATOM 0 H THR A 149 -16.811 -7.239 3.047 1.00 0.86 H new ATOM 0 HA THR A 149 -19.282 -7.344 4.638 1.00 0.97 H new ATOM 0 HB THR A 149 -19.029 -9.762 4.330 1.00 1.02 H new ATOM 0 HG1 THR A 149 -16.996 -9.180 2.388 1.00 1.35 H new ATOM 0 HG21 THR A 149 -19.513 -9.899 1.909 1.00 1.48 H new ATOM 0 HG22 THR A 149 -20.386 -8.569 2.708 1.00 1.48 H new ATOM 0 HG23 THR A 149 -18.946 -8.222 1.721 1.00 1.48 H new ATOM 2372 N ARG A 150 -16.296 -7.746 5.765 1.00 0.91 N ATOM 2373 CA ARG A 150 -15.504 -8.001 6.966 1.00 0.97 C ATOM 2374 C ARG A 150 -15.030 -6.719 7.655 1.00 0.97 C ATOM 2375 O ARG A 150 -14.894 -6.692 8.878 1.00 1.16 O ATOM 2376 CB ARG A 150 -14.297 -8.879 6.629 1.00 1.01 C ATOM 2377 CG ARG A 150 -14.668 -10.277 6.159 1.00 1.12 C ATOM 2378 CD ARG A 150 -15.371 -11.067 7.254 1.00 1.43 C ATOM 2379 NE ARG A 150 -15.692 -12.429 6.831 1.00 1.84 N ATOM 2380 CZ ARG A 150 -16.533 -12.722 5.843 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -17.152 -11.750 5.184 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -16.761 -13.986 5.516 1.00 2.86 N ATOM 0 H ARG A 150 -15.782 -7.306 5.001 1.00 0.91 H new ATOM 0 HA ARG A 150 -16.161 -8.518 7.665 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -13.708 -8.389 5.853 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -13.660 -8.959 7.510 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -15.316 -10.208 5.286 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -13.768 -10.807 5.847 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -14.736 -11.103 8.139 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -16.288 -10.552 7.541 1.00 1.43 H new ATOM 0 HE ARG A 150 -15.244 -13.202 7.323 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -16.983 -10.776 5.435 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -17.796 -11.977 4.427 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -16.291 -14.736 6.022 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -17.406 -14.208 4.758 1.00 2.86 H new ATOM 2396 N ALA A 151 -14.755 -5.667 6.883 1.00 0.88 N ATOM 2397 CA ALA A 151 -14.271 -4.421 7.474 1.00 0.91 C ATOM 2398 C ALA A 151 -15.341 -3.332 7.485 1.00 0.92 C ATOM 2399 O ALA A 151 -16.223 -3.330 8.343 1.00 1.18 O ATOM 2400 CB ALA A 151 -13.023 -3.944 6.749 1.00 0.89 C ATOM 0 H ALA A 151 -14.856 -5.652 5.868 1.00 0.88 H new ATOM 0 HA ALA A 151 -14.020 -4.629 8.514 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -12.673 -3.015 7.199 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -12.244 -4.702 6.829 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -13.256 -3.772 5.698 1.00 0.89 H new ATOM 2406 N PHE A 152 -15.253 -2.394 6.542 1.00 0.79 N ATOM 2407 CA PHE A 152 -16.207 -1.298 6.471 1.00 0.99 C ATOM 2408 C PHE A 152 -17.076 -1.409 5.222 1.00 0.88 C ATOM 2409 O PHE A 152 -18.081 -2.122 5.218 1.00 1.32 O ATOM 2410 CB PHE A 152 -15.462 0.042 6.488 1.00 1.26 C ATOM 2411 CG PHE A 152 -16.362 1.244 6.495 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -17.400 1.351 7.409 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -16.166 2.274 5.588 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -18.223 2.459 7.416 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -16.985 3.385 5.592 1.00 3.27 C ATOM 2416 CZ PHE A 152 -18.016 3.479 6.506 1.00 3.92 C ATOM 0 H PHE A 152 -14.532 -2.375 5.821 1.00 0.79 H new ATOM 0 HA PHE A 152 -16.862 -1.353 7.340 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -14.820 0.077 7.368 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -14.811 0.094 5.616 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -17.566 0.558 8.123 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -15.363 2.206 4.869 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -19.028 2.529 8.132 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -16.820 4.181 4.881 1.00 3.27 H new ATOM 0 HZ PHE A 152 -18.659 4.347 6.510 1.00 3.92 H new ATOM 2426 N ASP A 153 -16.685 -0.698 4.166 1.00 0.92 N ATOM 2427 CA ASP A 153 -17.428 -0.710 2.911 1.00 1.10 C ATOM 2428 C ASP A 153 -16.749 0.191 1.886 1.00 1.14 C ATOM 2429 O ASP A 153 -16.928 0.023 0.680 1.00 1.88 O ATOM 2430 CB ASP A 153 -18.869 -0.240 3.143 1.00 1.43 C ATOM 2431 CG ASP A 153 -19.742 -0.367 1.907 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -19.249 -0.892 0.886 1.00 2.80 O ATOM 2433 OD2 ASP A 153 -20.914 0.064 1.954 1.00 2.58 O ATOM 0 H ASP A 153 -15.855 -0.105 4.157 1.00 0.92 H new ATOM 0 HA ASP A 153 -17.445 -1.731 2.529 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -19.309 -0.822 3.953 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -18.858 0.800 3.468 1.00 1.43 H new ATOM 2438 N LYS A 154 -15.974 1.157 2.375 1.00 0.75 N ATOM 2439 CA LYS A 154 -15.282 2.092 1.497 1.00 0.78 C ATOM 2440 C LYS A 154 -14.234 2.909 2.263 1.00 0.91 C ATOM 2441 O LYS A 154 -13.130 2.424 2.502 1.00 1.80 O ATOM 2442 CB LYS A 154 -16.310 3.018 0.841 1.00 0.89 C ATOM 2443 CG LYS A 154 -15.713 4.080 -0.071 1.00 0.86 C ATOM 2444 CD LYS A 154 -16.761 5.109 -0.447 1.00 1.03 C ATOM 2445 CE LYS A 154 -16.185 6.223 -1.305 1.00 1.54 C ATOM 2446 NZ LYS A 154 -15.749 5.731 -2.639 1.00 2.17 N ATOM 0 H LYS A 154 -15.811 1.311 3.370 1.00 0.75 H new ATOM 0 HA LYS A 154 -14.754 1.527 0.729 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -17.009 2.413 0.264 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -16.887 3.512 1.623 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -14.878 4.570 0.430 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -15.315 3.612 -0.971 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -17.572 4.620 -0.986 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -17.192 5.535 0.459 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -16.933 7.005 -1.434 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -15.337 6.675 -0.791 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -15.394 6.529 -3.204 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -14.992 5.028 -2.519 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -16.555 5.292 -3.128 1.00 2.17 H new ATOM 2460 N LEU A 155 -14.614 4.148 2.616 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.773 5.119 3.339 1.00 0.61 C ATOM 2462 C LEU A 155 -13.997 6.508 2.747 1.00 0.68 C ATOM 2463 O LEU A 155 -14.919 6.705 1.955 1.00 0.89 O ATOM 2464 CB LEU A 155 -12.275 4.781 3.293 1.00 0.60 C ATOM 2465 CG LEU A 155 -11.750 3.930 4.458 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -10.253 3.712 4.317 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -12.067 4.590 5.792 1.00 1.23 C ATOM 0 H LEU A 155 -15.542 4.513 2.400 1.00 0.61 H new ATOM 0 HA LEU A 155 -14.070 5.083 4.387 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -12.068 4.255 2.361 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -11.711 5.714 3.265 1.00 0.60 H new ATOM 0 HG LEU A 155 -12.249 2.961 4.429 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -9.893 3.107 5.149 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -10.047 3.197 3.379 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -9.743 4.675 4.322 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -11.686 3.970 6.604 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -11.596 5.572 5.833 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -13.146 4.701 5.896 1.00 1.23 H new ATOM 2479 N ASN A 156 -13.153 7.467 3.120 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.274 8.828 2.609 1.00 0.77 C ATOM 2481 C ASN A 156 -11.986 9.257 1.919 1.00 0.65 C ATOM 2482 O ASN A 156 -10.938 9.336 2.556 1.00 0.69 O ATOM 2483 CB ASN A 156 -13.596 9.802 3.748 1.00 1.04 C ATOM 2484 CG ASN A 156 -14.968 9.576 4.364 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -15.757 8.686 3.772 1.00 2.44 O flip ATOM 2486 ND2 ASN A 156 -15.322 10.210 5.358 1.00 2.12 N flip ATOM 0 H ASN A 156 -12.381 7.327 3.772 1.00 0.66 H new ATOM 0 HA ASN A 156 -14.088 8.846 1.884 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -12.837 9.706 4.524 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -13.539 10.823 3.371 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -14.688 10.885 5.785 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -16.250 10.060 5.755 1.00 2.12 H new ATOM 2493 N LYS A 157 -12.069 9.537 0.618 1.00 0.64 N ATOM 2494 CA LYS A 157 -10.898 9.964 -0.147 1.00 0.64 C ATOM 2495 C LYS A 157 -10.221 11.147 0.534 1.00 0.68 C ATOM 2496 O LYS A 157 -10.556 12.304 0.273 1.00 0.95 O ATOM 2497 CB LYS A 157 -11.282 10.336 -1.582 1.00 0.79 C ATOM 2498 CG LYS A 157 -11.534 9.141 -2.491 1.00 0.96 C ATOM 2499 CD LYS A 157 -12.700 8.291 -2.010 1.00 1.67 C ATOM 2500 CE LYS A 157 -12.948 7.117 -2.942 1.00 1.70 C ATOM 2501 NZ LYS A 157 -13.271 7.564 -4.326 1.00 2.51 N ATOM 0 H LYS A 157 -12.930 9.476 0.075 1.00 0.64 H new ATOM 0 HA LYS A 157 -10.200 9.128 -0.185 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -12.179 10.955 -1.557 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -10.487 10.944 -2.013 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -11.735 9.492 -3.503 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -10.635 8.527 -2.540 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -12.494 7.923 -1.005 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -13.599 8.905 -1.947 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -12.065 6.478 -2.964 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -13.769 6.513 -2.555 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -13.693 6.775 -4.856 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -13.946 8.355 -4.287 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -12.400 7.875 -4.802 1.00 2.51 H new ATOM 2515 N TRP A 158 -9.275 10.840 1.414 1.00 0.73 N ATOM 2516 CA TRP A 158 -8.544 11.860 2.153 1.00 0.83 C ATOM 2517 C TRP A 158 -9.511 12.847 2.810 1.00 1.08 C ATOM 2518 O TRP A 158 -9.424 14.058 2.515 1.00 1.47 O ATOM 2519 CB TRP A 158 -7.573 12.593 1.222 1.00 0.85 C ATOM 2520 CG TRP A 158 -6.666 13.559 1.925 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -5.959 13.336 3.072 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -6.373 14.901 1.526 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -5.240 14.459 3.407 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -5.478 15.432 2.474 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -6.778 15.705 0.456 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -4.983 16.731 2.384 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -6.286 16.994 0.369 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -5.397 17.496 1.327 1.00 2.95 C ATOM 2529 OXT TRP A 158 -10.355 12.395 3.613 1.00 1.75 O ATOM 0 H TRP A 158 -8.995 9.884 1.634 1.00 0.73 H new ATOM 0 HA TRP A 158 -7.969 11.374 2.941 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -6.965 11.857 0.695 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -8.146 13.132 0.467 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -5.964 12.413 3.633 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -4.629 14.552 4.218 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -7.462 15.326 -0.289 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -4.297 17.121 3.122 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -6.593 17.625 -0.452 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -5.030 18.507 1.230 1.00 2.95 H new TER 2540 TRP A 158