USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 954 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 114 LYS NZ :NH3+ -171:sc= 1.04 (180deg=0) USER MOD Set 1.2: A 115 GLN : amide:sc= 0.884 K(o=1.9,f=-4.9) USER MOD Set 2.1: A 59 GLN : amide:sc= 1 K(o=3.8,f=-6.7!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 147:sc= 2.06 (180deg=-0.206) USER MOD Set 2.3: A 91 SER OG : rot -94:sc= 0.748 USER MOD Set 3.1: A 33 GLN : amide:sc= 0.981 K(o=2.2,f=-0.45!) USER MOD Set 3.2: A 43 SER OG : rot -131:sc= 1.2 USER MOD Set 4.1: A 8 TYR OH : rot 30:sc= 0.583 USER MOD Set 4.2: A 30 GLN : amide:sc= 0 X(o=2,f=2.3) USER MOD Set 4.3: A 31 SER OG : rot -37:sc= 0.754 USER MOD Set 4.4: A 34 GLN : amide:sc= 0.635 X(o=2,f=2.3) USER MOD Set 5.1: A 32 LYS NZ :NH3+ 170:sc= 1.3 (180deg=0.648) USER MOD Set 5.2: A 78 ASN : amide:sc= 0.208 K(o=1.5,f=-2.7) USER MOD Set 6.1: A 14 GLN : amide:sc= 2.13 K(o=4.5,f=-10!) USER MOD Set 6.2: A 19 LYS NZ :NH3+ -153:sc= 2.33 (180deg=0.723) USER MOD Set 7.1: A 1 MET N :NH3+ 166:sc= 2.16 (180deg=0.369) USER MOD Set 7.2: A 4 SER OG : rot 45:sc= 2.2 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -114:sc= 1.85 (180deg=0.274) USER MOD Single : A 10 GLN : amide:sc= 0.474 X(o=0.47,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 20 GLN : amide:sc= 1.05 K(o=1.1,f=-0.84) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.0956 X(o=0.096,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.039) USER MOD Single : A 36 SER OG : rot -132:sc= 0.972 USER MOD Single : A 41 THR OG1 : rot -9:sc= 0.627 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 51 GLN : amide:sc= 1.15 K(o=1.1,f=-6.5!) USER MOD Single : A 55 TYR OH : rot 56:sc= 1.01 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -68:sc= 1.21 USER MOD Single : A 58 THR OG1 : rot 25:sc= 1.1 USER MOD Single : A 67 THR OG1 : rot 39:sc= 0.6 USER MOD Single : A 71 ASN : amide:sc= 1.03 K(o=1,f=-0.0055) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 1.2 K(o=1.2,f=-0.032) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 95 GLN : amide:sc= 0.414 X(o=0.41,f=-0.023) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= 1.21 (180deg=1.07) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= 0.21 K(o=0.21,f=-3.5!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 147:sc= 1.24 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.322 -0.471 -4.904 1.00 0.00 N ATOM 2 CA MET A 1 27.651 -0.519 -5.580 1.00 0.00 C ATOM 3 C MET A 1 28.709 0.350 -4.818 1.00 0.00 C ATOM 4 O MET A 1 28.351 1.293 -4.107 1.00 0.00 O ATOM 5 CB MET A 1 27.507 -0.020 -7.042 1.00 0.00 C ATOM 6 CG MET A 1 26.739 -0.948 -7.994 1.00 0.00 C ATOM 7 SD MET A 1 24.961 -0.857 -7.727 1.00 0.00 S ATOM 8 CE MET A 1 24.411 -2.056 -8.952 1.00 0.00 C ATOM 0 H1 MET A 1 25.594 -0.850 -5.543 1.00 0.00 H new ATOM 0 H2 MET A 1 26.353 -1.043 -4.036 1.00 0.00 H new ATOM 0 H3 MET A 1 26.091 0.514 -4.661 1.00 0.00 H new ATOM 0 HA MET A 1 28.001 -1.551 -5.577 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.007 0.948 -7.027 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.505 0.143 -7.450 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.966 -0.679 -9.026 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.076 -1.975 -7.851 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.324 -2.130 -8.926 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.730 -1.735 -9.944 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.846 -3.030 -8.728 1.00 0.00 H new ATOM 20 N ALA A 2 30.006 0.062 -5.014 1.00 0.00 N ATOM 21 CA ALA A 2 31.100 0.945 -4.519 1.00 0.00 C ATOM 22 C ALA A 2 31.170 2.278 -5.328 1.00 0.00 C ATOM 23 O ALA A 2 31.528 2.283 -6.508 1.00 0.00 O ATOM 24 CB ALA A 2 32.405 0.142 -4.612 1.00 0.00 C ATOM 0 H ALA A 2 30.332 -0.769 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 2 30.917 1.241 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 2 33.235 0.754 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 2 32.326 -0.754 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 2 32.582 -0.145 -5.648 1.00 0.00 H new ATOM 30 N GLY A 3 30.720 3.374 -4.702 1.00 0.00 N ATOM 31 CA GLY A 3 30.316 4.597 -5.435 1.00 0.00 C ATOM 32 C GLY A 3 28.886 5.104 -5.158 1.00 0.00 C ATOM 33 O GLY A 3 28.694 6.305 -4.966 1.00 0.00 O ATOM 0 H GLY A 3 30.624 3.446 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.018 5.394 -5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.413 4.406 -6.504 1.00 0.00 H new ATOM 37 N SER A 4 27.889 4.205 -5.166 1.00 0.00 N ATOM 38 CA SER A 4 26.473 4.567 -4.920 1.00 0.00 C ATOM 39 C SER A 4 26.158 4.812 -3.411 1.00 0.00 C ATOM 40 O SER A 4 25.812 3.872 -2.681 1.00 0.00 O ATOM 41 CB SER A 4 25.573 3.442 -5.512 1.00 0.00 C ATOM 42 OG SER A 4 25.598 2.255 -4.707 1.00 0.00 O ATOM 0 H SER A 4 28.034 3.211 -5.342 1.00 0.00 H new ATOM 0 HA SER A 4 26.267 5.517 -5.414 1.00 0.00 H new ATOM 0 HB2 SER A 4 24.548 3.803 -5.594 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.908 3.203 -6.521 1.00 0.00 H new ATOM 0 HG SER A 4 25.506 2.498 -3.762 1.00 0.00 H new ATOM 48 N GLY A 5 26.263 6.073 -2.967 1.00 0.00 N ATOM 49 CA GLY A 5 26.026 6.438 -1.549 1.00 0.00 C ATOM 50 C GLY A 5 24.553 6.630 -1.153 1.00 0.00 C ATOM 51 O GLY A 5 24.110 7.754 -0.912 1.00 0.00 O ATOM 0 H GLY A 5 26.510 6.862 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 5 26.456 5.662 -0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 5 26.565 7.361 -1.334 1.00 0.00 H new ATOM 55 N ILE A 6 23.818 5.516 -1.049 1.00 0.00 N ATOM 56 CA ILE A 6 22.356 5.528 -0.747 1.00 0.00 C ATOM 57 C ILE A 6 22.064 5.596 0.779 1.00 0.00 C ATOM 58 O ILE A 6 21.697 4.607 1.421 1.00 0.00 O ATOM 59 CB ILE A 6 21.618 4.407 -1.567 1.00 0.00 C ATOM 60 CG1 ILE A 6 20.076 4.567 -1.486 1.00 0.00 C ATOM 61 CG2 ILE A 6 22.057 2.979 -1.212 1.00 0.00 C ATOM 62 CD1 ILE A 6 19.294 3.785 -2.541 1.00 0.00 C ATOM 0 H ILE A 6 24.204 4.580 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 6 21.913 6.459 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 6 21.925 4.554 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.743 4.249 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 6 19.829 5.624 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 6 21.502 2.266 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 6 23.124 2.868 -1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 6 21.858 2.789 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.226 3.958 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.592 4.117 -3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.505 2.721 -2.436 1.00 0.00 H new ATOM 74 N ILE A 7 22.185 6.806 1.352 1.00 0.00 N ATOM 75 CA ILE A 7 21.869 7.062 2.795 1.00 0.00 C ATOM 76 C ILE A 7 20.345 7.329 2.979 1.00 0.00 C ATOM 77 O ILE A 7 19.878 8.467 3.060 1.00 0.00 O ATOM 78 CB ILE A 7 22.870 8.116 3.359 1.00 0.00 C ATOM 79 CG1 ILE A 7 23.011 8.099 4.904 1.00 0.00 C ATOM 80 CG2 ILE A 7 22.746 9.551 2.821 1.00 0.00 C ATOM 81 CD1 ILE A 7 21.810 8.518 5.743 1.00 0.00 C ATOM 0 H ILE A 7 22.500 7.635 0.847 1.00 0.00 H new ATOM 0 HA ILE A 7 22.032 6.185 3.421 1.00 0.00 H new ATOM 0 HB ILE A 7 23.807 7.751 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 7 23.288 7.088 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 7 23.845 8.749 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 7 23.498 10.183 3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 7 22.899 9.549 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 7 21.753 9.940 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 7 22.065 8.453 6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 7 21.535 9.544 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 7 20.970 7.857 5.531 1.00 0.00 H new ATOM 93 N TYR A 8 19.567 6.237 3.001 1.00 0.00 N ATOM 94 CA TYR A 8 18.088 6.280 2.943 1.00 0.00 C ATOM 95 C TYR A 8 17.473 5.158 3.839 1.00 0.00 C ATOM 96 O TYR A 8 18.038 4.072 4.019 1.00 0.00 O ATOM 97 CB TYR A 8 17.606 6.116 1.468 1.00 0.00 C ATOM 98 CG TYR A 8 17.458 7.450 0.719 1.00 0.00 C ATOM 99 CD1 TYR A 8 18.548 8.046 0.065 1.00 0.00 C ATOM 100 CD2 TYR A 8 16.220 8.108 0.698 1.00 0.00 C ATOM 101 CE1 TYR A 8 18.411 9.288 -0.560 1.00 0.00 C ATOM 102 CE2 TYR A 8 16.081 9.341 0.060 1.00 0.00 C ATOM 103 CZ TYR A 8 17.178 9.938 -0.558 1.00 0.00 C ATOM 104 OH TYR A 8 17.041 11.158 -1.150 1.00 0.00 O ATOM 0 H TYR A 8 19.943 5.291 3.060 1.00 0.00 H new ATOM 0 HA TYR A 8 17.752 7.246 3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 8 18.313 5.484 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 8 16.647 5.597 1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 8 19.502 7.539 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 8 15.366 7.656 1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.261 9.745 -1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 8 15.120 9.834 0.045 1.00 0.00 H new ATOM 0 HH TYR A 8 17.673 11.233 -1.895 1.00 0.00 H new ATOM 114 N LYS A 9 16.257 5.424 4.337 1.00 0.00 N ATOM 115 CA LYS A 9 15.467 4.430 5.117 1.00 0.00 C ATOM 116 C LYS A 9 14.693 3.497 4.134 1.00 0.00 C ATOM 117 O LYS A 9 13.587 3.806 3.682 1.00 0.00 O ATOM 118 CB LYS A 9 14.554 5.238 6.072 1.00 0.00 C ATOM 119 CG LYS A 9 13.977 4.411 7.234 1.00 0.00 C ATOM 120 CD LYS A 9 12.893 5.137 8.050 1.00 0.00 C ATOM 121 CE LYS A 9 13.344 6.421 8.761 1.00 0.00 C ATOM 122 NZ LYS A 9 12.191 6.975 9.523 1.00 0.00 N ATOM 0 H LYS A 9 15.787 6.322 4.218 1.00 0.00 H new ATOM 0 HA LYS A 9 16.089 3.768 5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.122 6.073 6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.731 5.663 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.557 3.488 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.790 4.128 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.067 5.384 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.504 4.447 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.175 6.208 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.702 7.150 8.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.909 7.887 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.392 6.311 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.466 7.114 10.516 1.00 0.00 H new ATOM 136 N GLN A 10 15.351 2.398 3.750 1.00 0.00 N ATOM 137 CA GLN A 10 14.994 1.638 2.521 1.00 0.00 C ATOM 138 C GLN A 10 13.923 0.518 2.742 1.00 0.00 C ATOM 139 O GLN A 10 13.834 -0.019 3.854 1.00 0.00 O ATOM 140 CB GLN A 10 16.320 1.076 1.932 1.00 0.00 C ATOM 141 CG GLN A 10 17.156 2.158 1.203 1.00 0.00 C ATOM 142 CD GLN A 10 18.639 1.849 1.085 1.00 0.00 C ATOM 143 OE1 GLN A 10 19.106 1.246 0.126 1.00 0.00 O ATOM 144 NE2 GLN A 10 19.435 2.282 2.034 1.00 0.00 N ATOM 0 H GLN A 10 16.138 2.004 4.266 1.00 0.00 H new ATOM 0 HA GLN A 10 14.507 2.314 1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.915 0.643 2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 10 16.090 0.270 1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.748 2.298 0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.038 3.104 1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 10 19.049 2.784 2.834 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.440 2.116 1.972 1.00 0.00 H new ATOM 153 N PRO A 11 13.092 0.125 1.732 1.00 0.00 N ATOM 154 CA PRO A 11 11.922 -0.785 1.960 1.00 0.00 C ATOM 155 C PRO A 11 12.274 -2.285 2.121 1.00 0.00 C ATOM 156 O PRO A 11 12.206 -3.080 1.180 1.00 0.00 O ATOM 157 CB PRO A 11 11.027 -0.472 0.725 1.00 0.00 C ATOM 158 CG PRO A 11 12.034 -0.094 -0.385 1.00 0.00 C ATOM 159 CD PRO A 11 13.080 0.733 0.380 1.00 0.00 C ATOM 0 HA PRO A 11 11.431 -0.603 2.916 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.425 -1.335 0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.335 0.345 0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.475 -0.976 -0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.563 0.484 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.060 0.675 -0.093 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.806 1.787 0.418 1.00 0.00 H new ATOM 167 N ILE A 12 12.595 -2.673 3.362 1.00 0.00 N ATOM 168 CA ILE A 12 12.848 -4.098 3.737 1.00 0.00 C ATOM 169 C ILE A 12 11.535 -4.812 4.175 1.00 0.00 C ATOM 170 O ILE A 12 11.262 -5.030 5.358 1.00 0.00 O ATOM 171 CB ILE A 12 14.064 -4.173 4.721 1.00 0.00 C ATOM 172 CG1 ILE A 12 14.538 -5.642 4.916 1.00 0.00 C ATOM 173 CG2 ILE A 12 13.859 -3.480 6.081 1.00 0.00 C ATOM 174 CD1 ILE A 12 16.009 -5.762 5.312 1.00 0.00 C ATOM 0 H ILE A 12 12.690 -2.022 4.142 1.00 0.00 H new ATOM 0 HA ILE A 12 13.158 -4.685 2.872 1.00 0.00 H new ATOM 0 HB ILE A 12 14.847 -3.595 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.924 -6.114 5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.373 -6.194 3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 12 14.759 -3.591 6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.656 -2.421 5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.016 -3.937 6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 12 16.269 -6.814 5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 12 16.632 -5.319 4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.176 -5.238 6.253 1.00 0.00 H new ATOM 186 N TYR A 13 10.709 -5.161 3.179 1.00 0.00 N ATOM 187 CA TYR A 13 9.356 -5.728 3.393 1.00 0.00 C ATOM 188 C TYR A 13 8.854 -6.431 2.094 1.00 0.00 C ATOM 189 O TYR A 13 8.930 -5.880 0.992 1.00 0.00 O ATOM 190 CB TYR A 13 8.337 -4.720 3.979 1.00 0.00 C ATOM 191 CG TYR A 13 8.110 -3.383 3.263 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.147 -3.270 2.254 1.00 0.00 C ATOM 193 CD2 TYR A 13 8.781 -2.224 3.681 1.00 0.00 C ATOM 194 CE1 TYR A 13 6.837 -2.025 1.698 1.00 0.00 C ATOM 195 CE2 TYR A 13 8.461 -0.977 3.135 1.00 0.00 C ATOM 196 CZ TYR A 13 7.486 -0.879 2.146 1.00 0.00 C ATOM 197 OH TYR A 13 7.149 0.335 1.627 1.00 0.00 O ATOM 0 H TYR A 13 10.955 -5.060 2.194 1.00 0.00 H new ATOM 0 HA TYR A 13 9.443 -6.486 4.171 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.374 -5.226 4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.647 -4.497 5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.637 -4.154 1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.553 -2.296 4.433 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.092 -1.953 0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.970 -0.090 3.481 1.00 0.00 H new ATOM 0 HH TYR A 13 7.694 1.033 2.047 1.00 0.00 H new ATOM 207 N GLN A 14 8.347 -7.661 2.246 1.00 0.00 N ATOM 208 CA GLN A 14 8.043 -8.567 1.102 1.00 0.00 C ATOM 209 C GLN A 14 6.895 -8.166 0.135 1.00 0.00 C ATOM 210 O GLN A 14 7.067 -8.279 -1.081 1.00 0.00 O ATOM 211 CB GLN A 14 7.995 -10.029 1.594 1.00 0.00 C ATOM 212 CG GLN A 14 6.699 -10.619 2.160 1.00 0.00 C ATOM 213 CD GLN A 14 6.230 -10.199 3.541 1.00 0.00 C ATOM 214 OE1 GLN A 14 6.521 -9.132 4.082 1.00 0.00 O ATOM 215 NE2 GLN A 14 5.418 -11.021 4.157 1.00 0.00 N ATOM 0 H GLN A 14 8.132 -8.066 3.157 1.00 0.00 H new ATOM 0 HA GLN A 14 8.881 -8.446 0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.297 -10.660 0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.759 -10.134 2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.899 -10.385 1.458 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.809 -11.703 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.166 -11.909 3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.037 -10.773 5.070 1.00 0.00 H new ATOM 224 N GLY A 15 5.766 -7.639 0.646 1.00 0.00 N ATOM 225 CA GLY A 15 4.815 -6.866 -0.198 1.00 0.00 C ATOM 226 C GLY A 15 5.296 -5.436 -0.484 1.00 0.00 C ATOM 227 O GLY A 15 4.814 -4.485 0.131 1.00 0.00 O ATOM 0 H GLY A 15 5.487 -7.728 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.667 -7.390 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.846 -6.825 0.299 1.00 0.00 H new ATOM 231 N ASN A 16 6.278 -5.318 -1.392 1.00 0.00 N ATOM 232 CA ASN A 16 7.135 -4.100 -1.490 1.00 0.00 C ATOM 233 C ASN A 16 6.473 -2.783 -2.003 1.00 0.00 C ATOM 234 O ASN A 16 6.936 -1.702 -1.638 1.00 0.00 O ATOM 235 CB ASN A 16 8.408 -4.482 -2.291 1.00 0.00 C ATOM 236 CG ASN A 16 9.656 -3.700 -1.893 1.00 0.00 C ATOM 237 OD1 ASN A 16 10.075 -2.751 -2.544 1.00 0.00 O ATOM 238 ND2 ASN A 16 10.295 -4.088 -0.815 1.00 0.00 N ATOM 0 H ASN A 16 6.507 -6.043 -2.072 1.00 0.00 H new ATOM 0 HA ASN A 16 7.369 -3.813 -0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.602 -5.546 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.217 -4.324 -3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.140 -3.599 -0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.947 -4.878 -0.272 1.00 0.00 H new ATOM 245 N LEU A 17 5.390 -2.880 -2.786 1.00 0.00 N ATOM 246 CA LEU A 17 4.497 -1.744 -3.098 1.00 0.00 C ATOM 247 C LEU A 17 3.711 -1.211 -1.853 1.00 0.00 C ATOM 248 O LEU A 17 4.189 -0.291 -1.187 1.00 0.00 O ATOM 249 CB LEU A 17 3.659 -2.032 -4.377 1.00 0.00 C ATOM 250 CG LEU A 17 3.140 -3.446 -4.724 1.00 0.00 C ATOM 251 CD1 LEU A 17 2.197 -4.085 -3.707 1.00 0.00 C ATOM 252 CD2 LEU A 17 2.424 -3.382 -6.092 1.00 0.00 C ATOM 0 H LEU A 17 5.102 -3.754 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 17 5.111 -0.881 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.786 -1.381 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.259 -1.702 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 17 4.024 -4.084 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.899 -5.073 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.706 -4.178 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.312 -3.460 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.051 -4.372 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.590 -2.683 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.126 -3.046 -6.855 1.00 0.00 H new ATOM 264 N ILE A 18 2.540 -1.769 -1.531 1.00 0.00 N ATOM 265 CA ILE A 18 1.646 -1.237 -0.465 1.00 0.00 C ATOM 266 C ILE A 18 1.647 -2.237 0.731 1.00 0.00 C ATOM 267 O ILE A 18 1.090 -3.334 0.652 1.00 0.00 O ATOM 268 CB ILE A 18 0.238 -0.980 -1.095 1.00 0.00 C ATOM 269 CG1 ILE A 18 0.239 0.170 -2.147 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.881 -0.740 -0.066 1.00 0.00 C ATOM 271 CD1 ILE A 18 0.523 1.584 -1.650 1.00 0.00 C ATOM 0 H ILE A 18 2.174 -2.601 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 18 1.988 -0.283 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 18 0.014 -1.917 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.980 -0.073 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.734 0.176 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.824 -0.570 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.975 -1.613 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.638 0.134 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.491 2.278 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.230 1.869 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.510 1.616 -1.190 1.00 0.00 H new ATOM 283 N LYS A 19 2.249 -1.809 1.846 1.00 0.00 N ATOM 284 CA LYS A 19 2.336 -2.615 3.090 1.00 0.00 C ATOM 285 C LYS A 19 1.801 -1.772 4.277 1.00 0.00 C ATOM 286 O LYS A 19 2.562 -0.993 4.860 1.00 0.00 O ATOM 287 CB LYS A 19 3.824 -3.014 3.240 1.00 0.00 C ATOM 288 CG LYS A 19 4.200 -3.906 4.435 1.00 0.00 C ATOM 289 CD LYS A 19 4.065 -5.410 4.145 1.00 0.00 C ATOM 290 CE LYS A 19 4.334 -6.254 5.403 1.00 0.00 C ATOM 291 NZ LYS A 19 4.318 -7.707 5.076 1.00 0.00 N ATOM 0 H LYS A 19 2.693 -0.894 1.921 1.00 0.00 H new ATOM 0 HA LYS A 19 1.727 -3.519 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.129 -3.527 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.413 -2.099 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.228 -3.692 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.566 -3.649 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.063 -5.621 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.764 -5.694 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.300 -5.983 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.580 -6.038 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.044 -8.250 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.633 -7.884 4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.265 -8.004 4.766 1.00 0.00 H new ATOM 305 N GLN A 20 0.532 -1.949 4.693 1.00 0.00 N ATOM 306 CA GLN A 20 -0.016 -1.261 5.904 1.00 0.00 C ATOM 307 C GLN A 20 0.500 -1.871 7.261 1.00 0.00 C ATOM 308 O GLN A 20 -0.218 -2.512 8.032 1.00 0.00 O ATOM 309 CB GLN A 20 -1.562 -1.225 5.810 1.00 0.00 C ATOM 310 CG GLN A 20 -2.170 -0.208 6.807 1.00 0.00 C ATOM 311 CD GLN A 20 -3.687 -0.180 6.897 1.00 0.00 C ATOM 312 OE1 GLN A 20 -4.431 -0.771 6.117 1.00 0.00 O ATOM 313 NE2 GLN A 20 -4.195 0.542 7.866 1.00 0.00 N ATOM 0 H GLN A 20 -0.138 -2.556 4.220 1.00 0.00 H new ATOM 0 HA GLN A 20 0.361 -0.238 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.859 -0.962 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.963 -2.218 6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.772 -0.421 7.799 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.825 0.789 6.533 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.578 1.033 8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.207 0.613 7.972 1.00 0.00 H new ATOM 322 N ASN A 21 1.784 -1.622 7.488 1.00 0.00 N ATOM 323 CA ASN A 21 2.534 -1.966 8.719 1.00 0.00 C ATOM 324 C ASN A 21 3.892 -1.196 8.631 1.00 0.00 C ATOM 325 O ASN A 21 4.102 -0.254 9.394 1.00 0.00 O ATOM 326 CB ASN A 21 2.671 -3.492 8.919 1.00 0.00 C ATOM 327 CG ASN A 21 3.233 -3.920 10.265 1.00 0.00 C ATOM 328 OD1 ASN A 21 2.507 -4.159 11.222 1.00 0.00 O ATOM 329 ND2 ASN A 21 4.531 -4.052 10.399 1.00 0.00 N ATOM 0 H ASN A 21 2.369 -1.154 6.796 1.00 0.00 H new ATOM 0 HA ASN A 21 2.000 -1.654 9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.690 -3.949 8.791 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.312 -3.889 8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.924 -4.350 11.292 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.148 -3.856 9.610 1.00 0.00 H new ATOM 336 N ALA A 22 4.770 -1.551 7.668 1.00 0.00 N ATOM 337 CA ALA A 22 5.937 -0.715 7.310 1.00 0.00 C ATOM 338 C ALA A 22 5.610 0.673 6.683 1.00 0.00 C ATOM 339 O ALA A 22 6.216 1.648 7.120 1.00 0.00 O ATOM 340 CB ALA A 22 6.846 -1.549 6.405 1.00 0.00 C ATOM 0 H ALA A 22 4.693 -2.411 7.125 1.00 0.00 H new ATOM 0 HA ALA A 22 6.437 -0.444 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.718 -0.959 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.169 -2.443 6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.299 -1.840 5.508 1.00 0.00 H new ATOM 346 N VAL A 23 4.650 0.806 5.744 1.00 0.00 N ATOM 347 CA VAL A 23 4.127 2.146 5.313 1.00 0.00 C ATOM 348 C VAL A 23 3.437 2.948 6.466 1.00 0.00 C ATOM 349 O VAL A 23 3.730 4.135 6.610 1.00 0.00 O ATOM 350 CB VAL A 23 3.220 2.073 4.039 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.856 3.486 3.509 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.874 1.322 2.860 1.00 0.00 C ATOM 0 H VAL A 23 4.216 0.017 5.265 1.00 0.00 H new ATOM 0 HA VAL A 23 5.017 2.711 5.035 1.00 0.00 H new ATOM 0 HB VAL A 23 2.335 1.532 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.226 3.392 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.318 4.037 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.768 4.023 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.190 1.310 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.797 1.826 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.098 0.298 3.160 1.00 0.00 H new ATOM 362 N GLU A 24 2.583 2.321 7.286 1.00 0.00 N ATOM 363 CA GLU A 24 2.034 2.967 8.516 1.00 0.00 C ATOM 364 C GLU A 24 3.096 3.453 9.568 1.00 0.00 C ATOM 365 O GLU A 24 2.922 4.523 10.155 1.00 0.00 O ATOM 366 CB GLU A 24 0.983 1.974 9.064 1.00 0.00 C ATOM 367 CG GLU A 24 -0.050 2.583 10.028 1.00 0.00 C ATOM 368 CD GLU A 24 -1.205 1.630 10.314 1.00 0.00 C ATOM 369 OE1 GLU A 24 -2.190 1.629 9.542 1.00 0.00 O ATOM 370 OE2 GLU A 24 -1.131 0.881 11.309 1.00 0.00 O ATOM 0 H GLU A 24 2.250 1.369 7.132 1.00 0.00 H new ATOM 0 HA GLU A 24 1.579 3.925 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.453 1.529 8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.503 1.165 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.441 2.847 10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.441 3.507 9.602 1.00 0.00 H new ATOM 377 N GLN A 25 4.204 2.714 9.745 1.00 0.00 N ATOM 378 CA GLN A 25 5.336 3.113 10.621 1.00 0.00 C ATOM 379 C GLN A 25 6.444 4.024 10.004 1.00 0.00 C ATOM 380 O GLN A 25 7.075 4.740 10.786 1.00 0.00 O ATOM 381 CB GLN A 25 5.895 1.774 11.181 1.00 0.00 C ATOM 382 CG GLN A 25 6.957 1.850 12.295 1.00 0.00 C ATOM 383 CD GLN A 25 8.405 1.752 11.835 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.928 0.677 11.564 1.00 0.00 O ATOM 385 NE2 GLN A 25 9.117 2.849 11.738 1.00 0.00 N ATOM 0 H GLN A 25 4.347 1.815 9.284 1.00 0.00 H new ATOM 0 HA GLN A 25 4.958 3.786 11.391 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.054 1.192 11.558 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.322 1.215 10.348 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.828 2.790 12.831 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.767 1.048 13.008 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.696 3.751 11.960 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.091 2.800 11.441 1.00 0.00 H new ATOM 394 N LEU A 26 6.741 3.987 8.687 1.00 0.00 N ATOM 395 CA LEU A 26 8.047 4.460 8.129 1.00 0.00 C ATOM 396 C LEU A 26 8.615 5.850 8.504 1.00 0.00 C ATOM 397 O LEU A 26 9.834 5.961 8.657 1.00 0.00 O ATOM 398 CB LEU A 26 8.190 4.122 6.617 1.00 0.00 C ATOM 399 CG LEU A 26 7.172 4.653 5.593 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.343 6.125 5.222 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.295 3.843 4.279 1.00 0.00 C ATOM 0 H LEU A 26 6.097 3.634 7.979 1.00 0.00 H new ATOM 0 HA LEU A 26 8.733 3.854 8.721 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.173 4.471 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.195 3.035 6.530 1.00 0.00 H new ATOM 0 HG LEU A 26 6.202 4.545 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.581 6.408 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.238 6.740 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.332 6.279 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.574 4.218 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.303 3.950 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.094 2.791 4.480 1.00 0.00 H new ATOM 413 N GLN A 27 7.770 6.878 8.661 1.00 0.00 N ATOM 414 CA GLN A 27 8.196 8.263 9.038 1.00 0.00 C ATOM 415 C GLN A 27 9.391 8.866 8.219 1.00 0.00 C ATOM 416 O GLN A 27 10.466 9.159 8.754 1.00 0.00 O ATOM 417 CB GLN A 27 8.329 8.327 10.579 1.00 0.00 C ATOM 418 CG GLN A 27 8.403 9.735 11.203 1.00 0.00 C ATOM 419 CD GLN A 27 7.182 10.617 10.981 1.00 0.00 C ATOM 420 OE1 GLN A 27 7.071 11.318 9.982 1.00 0.00 O ATOM 421 NE2 GLN A 27 6.223 10.612 11.874 1.00 0.00 N ATOM 0 H GLN A 27 6.762 6.787 8.533 1.00 0.00 H new ATOM 0 HA GLN A 27 7.414 8.957 8.730 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.479 7.803 11.017 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.225 7.778 10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.563 9.630 12.276 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.277 10.246 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.306 10.032 12.709 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.393 11.188 11.734 1.00 0.00 H new ATOM 430 N VAL A 28 9.177 8.997 6.906 1.00 0.00 N ATOM 431 CA VAL A 28 10.164 9.584 5.955 1.00 0.00 C ATOM 432 C VAL A 28 9.535 10.895 5.372 1.00 0.00 C ATOM 433 O VAL A 28 8.458 10.851 4.774 1.00 0.00 O ATOM 434 CB VAL A 28 10.510 8.563 4.817 1.00 0.00 C ATOM 435 CG1 VAL A 28 11.498 9.140 3.773 1.00 0.00 C ATOM 436 CG2 VAL A 28 11.149 7.260 5.347 1.00 0.00 C ATOM 0 H VAL A 28 8.311 8.700 6.456 1.00 0.00 H new ATOM 0 HA VAL A 28 11.099 9.815 6.466 1.00 0.00 H new ATOM 0 HB VAL A 28 9.544 8.353 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.701 8.389 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.060 10.022 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.430 9.416 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.365 6.595 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.075 7.496 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.459 6.769 6.033 1.00 0.00 H new ATOM 446 N GLY A 29 10.247 12.021 5.511 1.00 0.00 N ATOM 447 CA GLY A 29 9.827 13.319 4.939 1.00 0.00 C ATOM 448 C GLY A 29 10.867 13.921 3.988 1.00 0.00 C ATOM 449 O GLY A 29 11.483 14.930 4.325 1.00 0.00 O ATOM 0 H GLY A 29 11.129 12.064 6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.887 13.186 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.635 14.022 5.750 1.00 0.00 H new ATOM 453 N GLN A 30 11.046 13.304 2.808 1.00 0.00 N ATOM 454 CA GLN A 30 12.083 13.729 1.828 1.00 0.00 C ATOM 455 C GLN A 30 11.488 14.148 0.458 1.00 0.00 C ATOM 456 O GLN A 30 11.716 15.291 0.057 1.00 0.00 O ATOM 457 CB GLN A 30 13.162 12.619 1.752 1.00 0.00 C ATOM 458 CG GLN A 30 14.330 12.842 0.770 1.00 0.00 C ATOM 459 CD GLN A 30 15.184 14.080 0.983 1.00 0.00 C ATOM 460 OE1 GLN A 30 16.107 14.098 1.789 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.923 15.151 0.271 1.00 0.00 N ATOM 0 H GLN A 30 10.489 12.507 2.501 1.00 0.00 H new ATOM 0 HA GLN A 30 12.564 14.645 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.580 12.484 2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.668 11.685 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.982 11.969 0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.921 12.883 -0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.156 15.142 -0.401 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.487 15.992 0.390 1.00 0.00 H new ATOM 470 N SER A 31 10.806 13.249 -0.277 1.00 0.00 N ATOM 471 CA SER A 31 10.472 13.499 -1.703 1.00 0.00 C ATOM 472 C SER A 31 9.206 12.718 -2.175 1.00 0.00 C ATOM 473 O SER A 31 9.119 11.493 -2.035 1.00 0.00 O ATOM 474 CB SER A 31 11.664 13.098 -2.621 1.00 0.00 C ATOM 475 OG SER A 31 12.767 14.001 -2.503 1.00 0.00 O ATOM 0 H SER A 31 10.477 12.353 0.082 1.00 0.00 H new ATOM 0 HA SER A 31 10.266 14.566 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.993 12.091 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.328 13.071 -3.658 1.00 0.00 H new ATOM 0 HG SER A 31 12.431 14.914 -2.387 1.00 0.00 H new ATOM 481 N LYS A 32 8.290 13.442 -2.833 1.00 0.00 N ATOM 482 CA LYS A 32 7.058 12.874 -3.445 1.00 0.00 C ATOM 483 C LYS A 32 7.245 11.803 -4.543 1.00 0.00 C ATOM 484 O LYS A 32 6.624 10.743 -4.474 1.00 0.00 O ATOM 485 CB LYS A 32 6.110 14.022 -3.871 1.00 0.00 C ATOM 486 CG LYS A 32 6.529 14.948 -5.026 1.00 0.00 C ATOM 487 CD LYS A 32 5.582 16.165 -5.089 1.00 0.00 C ATOM 488 CE LYS A 32 6.092 17.269 -6.024 1.00 0.00 C ATOM 489 NZ LYS A 32 5.410 18.530 -5.646 1.00 0.00 N ATOM 0 H LYS A 32 8.375 14.450 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 32 6.595 12.283 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.152 13.575 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.936 14.647 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.557 15.282 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.500 14.404 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.598 15.837 -5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.456 16.574 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.173 17.377 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.882 17.017 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.854 19.328 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.405 18.474 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.491 18.674 -4.619 1.00 0.00 H new ATOM 503 N GLN A 33 8.123 12.070 -5.517 1.00 0.00 N ATOM 504 CA GLN A 33 8.501 11.079 -6.556 1.00 0.00 C ATOM 505 C GLN A 33 9.229 9.803 -6.053 1.00 0.00 C ATOM 506 O GLN A 33 8.921 8.717 -6.544 1.00 0.00 O ATOM 507 CB GLN A 33 9.274 11.868 -7.638 1.00 0.00 C ATOM 508 CG GLN A 33 9.692 11.028 -8.861 1.00 0.00 C ATOM 509 CD GLN A 33 9.927 11.859 -10.113 1.00 0.00 C ATOM 510 OE1 GLN A 33 8.989 12.302 -10.771 1.00 0.00 O ATOM 511 NE2 GLN A 33 11.157 12.109 -10.485 1.00 0.00 N ATOM 0 H GLN A 33 8.594 12.970 -5.615 1.00 0.00 H new ATOM 0 HA GLN A 33 7.597 10.628 -6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.655 12.698 -7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.167 12.300 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.603 10.480 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.919 10.287 -9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.939 11.743 -9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.334 12.670 -11.318 1.00 0.00 H new ATOM 520 N GLN A 34 10.140 9.924 -5.079 1.00 0.00 N ATOM 521 CA GLN A 34 10.752 8.750 -4.408 1.00 0.00 C ATOM 522 C GLN A 34 9.733 7.862 -3.624 1.00 0.00 C ATOM 523 O GLN A 34 9.680 6.660 -3.887 1.00 0.00 O ATOM 524 CB GLN A 34 11.924 9.185 -3.493 1.00 0.00 C ATOM 525 CG GLN A 34 13.131 9.793 -4.241 1.00 0.00 C ATOM 526 CD GLN A 34 14.355 9.977 -3.355 1.00 0.00 C ATOM 527 OE1 GLN A 34 15.091 9.034 -3.087 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.634 11.166 -2.878 1.00 0.00 N ATOM 0 H GLN A 34 10.476 10.822 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 34 11.137 8.120 -5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.554 9.915 -2.773 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.264 8.320 -2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.392 9.149 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.843 10.758 -4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.028 11.958 -3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.457 11.299 -2.290 1.00 0.00 H new ATOM 537 N VAL A 35 8.902 8.430 -2.728 1.00 0.00 N ATOM 538 CA VAL A 35 7.818 7.652 -2.056 1.00 0.00 C ATOM 539 C VAL A 35 6.711 7.099 -3.005 1.00 0.00 C ATOM 540 O VAL A 35 6.352 5.929 -2.862 1.00 0.00 O ATOM 541 CB VAL A 35 7.322 8.411 -0.790 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.403 9.612 -1.053 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.620 7.467 0.206 1.00 0.00 C ATOM 0 H VAL A 35 8.951 9.410 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 35 8.252 6.716 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 35 8.244 8.809 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.117 10.066 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.929 10.346 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.509 9.278 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.289 8.036 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.758 7.006 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.316 6.691 0.524 1.00 0.00 H new ATOM 553 N SER A 36 6.228 7.873 -3.993 1.00 0.00 N ATOM 554 CA SER A 36 5.292 7.355 -5.031 1.00 0.00 C ATOM 555 C SER A 36 5.865 6.246 -5.960 1.00 0.00 C ATOM 556 O SER A 36 5.189 5.234 -6.153 1.00 0.00 O ATOM 557 CB SER A 36 4.725 8.559 -5.820 1.00 0.00 C ATOM 558 OG SER A 36 3.530 8.200 -6.504 1.00 0.00 O ATOM 0 H SER A 36 6.464 8.859 -4.102 1.00 0.00 H new ATOM 0 HA SER A 36 4.492 6.830 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.524 9.384 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.467 8.912 -6.536 1.00 0.00 H new ATOM 0 HG SER A 36 3.581 8.506 -7.434 1.00 0.00 H new ATOM 564 N ALA A 37 7.106 6.374 -6.465 1.00 0.00 N ATOM 565 CA ALA A 37 7.792 5.266 -7.183 1.00 0.00 C ATOM 566 C ALA A 37 8.026 3.948 -6.372 1.00 0.00 C ATOM 567 O ALA A 37 7.799 2.865 -6.914 1.00 0.00 O ATOM 568 CB ALA A 37 9.114 5.823 -7.730 1.00 0.00 C ATOM 0 H ALA A 37 7.659 7.228 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 37 7.117 4.940 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.647 5.037 -8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.907 6.649 -8.411 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.728 6.180 -6.903 1.00 0.00 H new ATOM 574 N LEU A 38 8.432 4.048 -5.096 1.00 0.00 N ATOM 575 CA LEU A 38 8.513 2.881 -4.173 1.00 0.00 C ATOM 576 C LEU A 38 7.133 2.239 -3.794 1.00 0.00 C ATOM 577 O LEU A 38 7.005 1.015 -3.858 1.00 0.00 O ATOM 578 CB LEU A 38 9.312 3.291 -2.905 1.00 0.00 C ATOM 579 CG LEU A 38 10.845 3.091 -2.959 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.567 3.870 -4.059 1.00 0.00 C ATOM 581 CD2 LEU A 38 11.443 3.510 -1.599 1.00 0.00 C ATOM 0 H LEU A 38 8.714 4.930 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 38 9.033 2.091 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.112 4.343 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.924 2.724 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 38 10.997 2.036 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.636 3.661 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.181 3.567 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.399 4.938 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.524 3.375 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.212 4.558 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.016 2.893 -0.808 1.00 0.00 H new ATOM 593 N LEU A 39 6.123 3.043 -3.440 1.00 0.00 N ATOM 594 CA LEU A 39 4.731 2.557 -3.241 1.00 0.00 C ATOM 595 C LEU A 39 3.984 2.003 -4.511 1.00 0.00 C ATOM 596 O LEU A 39 3.138 1.120 -4.367 1.00 0.00 O ATOM 597 CB LEU A 39 3.911 3.727 -2.640 1.00 0.00 C ATOM 598 CG LEU A 39 4.265 4.138 -1.192 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.522 5.439 -0.857 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.906 3.090 -0.142 1.00 0.00 C ATOM 0 H LEU A 39 6.235 4.044 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 39 4.812 1.691 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.036 4.598 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.856 3.456 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 39 5.348 4.258 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.761 5.743 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.829 6.222 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.448 5.277 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.186 3.454 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.833 2.901 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.442 2.165 -0.353 1.00 0.00 H new ATOM 612 N GLY A 40 4.286 2.529 -5.702 1.00 0.00 N ATOM 613 CA GLY A 40 3.761 2.017 -6.988 1.00 0.00 C ATOM 614 C GLY A 40 2.768 2.954 -7.688 1.00 0.00 C ATOM 615 O GLY A 40 1.588 2.624 -7.829 1.00 0.00 O ATOM 0 H GLY A 40 4.907 3.331 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.599 1.829 -7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.274 1.058 -6.811 1.00 0.00 H new ATOM 619 N THR A 41 3.233 4.140 -8.093 1.00 0.00 N ATOM 620 CA THR A 41 2.377 5.241 -8.631 1.00 0.00 C ATOM 621 C THR A 41 3.324 6.341 -9.257 1.00 0.00 C ATOM 622 O THR A 41 4.410 6.580 -8.716 1.00 0.00 O ATOM 623 CB THR A 41 1.476 5.837 -7.503 1.00 0.00 C ATOM 624 OG1 THR A 41 0.605 4.834 -6.991 1.00 0.00 O ATOM 625 CG2 THR A 41 0.545 6.972 -7.905 1.00 0.00 C ATOM 0 H THR A 41 4.224 4.381 -8.063 1.00 0.00 H new ATOM 0 HA THR A 41 1.709 4.858 -9.402 1.00 0.00 H new ATOM 0 HB THR A 41 2.208 6.222 -6.793 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.665 4.032 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.026 7.299 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.133 7.806 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.139 6.625 -8.679 1.00 0.00 H new ATOM 633 N PRO A 42 2.965 7.078 -10.341 1.00 0.00 N ATOM 634 CA PRO A 42 3.745 8.286 -10.786 1.00 0.00 C ATOM 635 C PRO A 42 3.737 9.491 -9.797 1.00 0.00 C ATOM 636 O PRO A 42 3.123 9.464 -8.723 1.00 0.00 O ATOM 637 CB PRO A 42 3.100 8.576 -12.170 1.00 0.00 C ATOM 638 CG PRO A 42 1.655 8.045 -12.056 1.00 0.00 C ATOM 639 CD PRO A 42 1.801 6.780 -11.198 1.00 0.00 C ATOM 0 HA PRO A 42 4.819 8.106 -10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.112 9.642 -12.395 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.643 8.075 -12.971 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.996 8.775 -11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.233 7.819 -13.035 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.905 6.590 -10.607 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.971 5.896 -11.812 1.00 0.00 H new ATOM 647 N SER A 43 4.491 10.537 -10.148 1.00 0.00 N ATOM 648 CA SER A 43 4.576 11.788 -9.356 1.00 0.00 C ATOM 649 C SER A 43 3.531 12.864 -9.786 1.00 0.00 C ATOM 650 O SER A 43 2.489 12.548 -10.368 1.00 0.00 O ATOM 651 CB SER A 43 6.071 12.209 -9.416 1.00 0.00 C ATOM 652 OG SER A 43 6.477 12.678 -10.703 1.00 0.00 O ATOM 0 H SER A 43 5.065 10.549 -10.991 1.00 0.00 H new ATOM 0 HA SER A 43 4.288 11.644 -8.315 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.250 12.992 -8.679 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.692 11.358 -9.135 1.00 0.00 H new ATOM 0 HG SER A 43 7.306 12.229 -10.968 1.00 0.00 H new ATOM 658 N ILE A 44 3.779 14.133 -9.430 1.00 0.00 N ATOM 659 CA ILE A 44 2.831 15.256 -9.695 1.00 0.00 C ATOM 660 C ILE A 44 3.636 16.355 -10.482 1.00 0.00 C ATOM 661 O ILE A 44 4.278 17.186 -9.827 1.00 0.00 O ATOM 662 CB ILE A 44 2.166 15.803 -8.376 1.00 0.00 C ATOM 663 CG1 ILE A 44 1.422 14.699 -7.571 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.146 16.926 -8.708 1.00 0.00 C ATOM 665 CD1 ILE A 44 1.035 15.118 -6.156 1.00 0.00 C ATOM 0 H ILE A 44 4.633 14.422 -8.953 1.00 0.00 H new ATOM 0 HA ILE A 44 1.987 14.914 -10.294 1.00 0.00 H new ATOM 0 HB ILE A 44 2.983 16.186 -7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.521 14.413 -8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.056 13.814 -7.516 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.696 17.293 -7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.658 17.745 -9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.367 16.529 -9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.521 14.294 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.933 15.376 -5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.374 15.984 -6.201 1.00 0.00 H new ATOM 677 N PRO A 45 3.638 16.409 -11.844 1.00 0.00 N ATOM 678 CA PRO A 45 4.474 17.401 -12.601 1.00 0.00 C ATOM 679 C PRO A 45 3.759 18.744 -12.922 1.00 0.00 C ATOM 680 O PRO A 45 3.432 19.035 -14.077 1.00 0.00 O ATOM 681 CB PRO A 45 4.861 16.556 -13.849 1.00 0.00 C ATOM 682 CG PRO A 45 3.609 15.690 -14.121 1.00 0.00 C ATOM 683 CD PRO A 45 3.113 15.326 -12.712 1.00 0.00 C ATOM 0 HA PRO A 45 5.328 17.779 -12.040 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.099 17.191 -14.702 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.738 15.939 -13.656 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.854 16.240 -14.683 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.854 14.801 -14.703 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.025 15.279 -12.674 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.486 14.351 -12.399 1.00 0.00 H new ATOM 691 N ASP A 46 3.581 19.582 -11.891 1.00 0.00 N ATOM 692 CA ASP A 46 3.130 20.988 -12.054 1.00 0.00 C ATOM 693 C ASP A 46 4.235 21.975 -11.538 1.00 0.00 C ATOM 694 O ASP A 46 4.539 21.941 -10.337 1.00 0.00 O ATOM 695 CB ASP A 46 1.766 21.204 -11.352 1.00 0.00 C ATOM 696 CG ASP A 46 1.206 22.631 -11.454 1.00 0.00 C ATOM 697 OD1 ASP A 46 1.468 23.332 -12.455 1.00 0.00 O ATOM 698 OD2 ASP A 46 0.547 23.084 -10.496 1.00 0.00 O ATOM 0 H ASP A 46 3.743 19.314 -10.920 1.00 0.00 H new ATOM 0 HA ASP A 46 2.979 21.199 -13.113 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.040 20.513 -11.780 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.871 20.945 -10.299 1.00 0.00 H new ATOM 703 N PRO A 47 4.798 22.909 -12.354 1.00 0.00 N ATOM 704 CA PRO A 47 5.581 24.067 -11.819 1.00 0.00 C ATOM 705 C PRO A 47 4.798 25.219 -11.115 1.00 0.00 C ATOM 706 O PRO A 47 5.452 26.046 -10.477 1.00 0.00 O ATOM 707 CB PRO A 47 6.317 24.544 -13.101 1.00 0.00 C ATOM 708 CG PRO A 47 5.311 24.277 -14.243 1.00 0.00 C ATOM 709 CD PRO A 47 4.596 22.981 -13.820 1.00 0.00 C ATOM 0 HA PRO A 47 6.210 23.757 -10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.578 25.601 -13.040 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.246 23.995 -13.253 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.607 25.102 -14.355 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.818 24.158 -15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.536 23.011 -14.074 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.020 22.111 -14.322 1.00 0.00 H new ATOM 717 N PHE A 48 3.455 25.289 -11.198 1.00 0.00 N ATOM 718 CA PHE A 48 2.645 26.294 -10.454 1.00 0.00 C ATOM 719 C PHE A 48 2.491 25.885 -8.960 1.00 0.00 C ATOM 720 O PHE A 48 3.111 26.529 -8.109 1.00 0.00 O ATOM 721 CB PHE A 48 1.333 26.502 -11.250 1.00 0.00 C ATOM 722 CG PHE A 48 0.579 27.830 -11.016 1.00 0.00 C ATOM 723 CD1 PHE A 48 0.301 28.330 -9.729 1.00 0.00 C ATOM 724 CD2 PHE A 48 0.115 28.559 -12.123 1.00 0.00 C ATOM 725 CE1 PHE A 48 -0.404 29.523 -9.559 1.00 0.00 C ATOM 726 CE2 PHE A 48 -0.593 29.752 -11.953 1.00 0.00 C ATOM 727 CZ PHE A 48 -0.850 30.231 -10.672 1.00 0.00 C ATOM 0 H PHE A 48 2.898 24.659 -11.776 1.00 0.00 H new ATOM 0 HA PHE A 48 3.133 27.267 -10.389 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.565 26.426 -12.312 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.657 25.681 -11.011 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.638 27.783 -8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.308 28.192 -13.120 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.603 29.896 -8.565 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.940 30.302 -12.815 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.396 31.153 -10.541 1.00 0.00 H new ATOM 737 N HIS A 49 1.704 24.846 -8.623 1.00 0.00 N ATOM 738 CA HIS A 49 1.732 24.242 -7.269 1.00 0.00 C ATOM 739 C HIS A 49 1.366 22.735 -7.366 1.00 0.00 C ATOM 740 O HIS A 49 0.193 22.351 -7.299 1.00 0.00 O ATOM 741 CB HIS A 49 0.836 25.025 -6.289 1.00 0.00 C ATOM 742 CG HIS A 49 0.977 24.656 -4.801 1.00 0.00 C ATOM 743 ND1 HIS A 49 1.914 23.810 -4.220 1.00 0.00 N ATOM 744 CD2 HIS A 49 0.122 25.141 -3.807 1.00 0.00 C ATOM 745 CE1 HIS A 49 1.518 23.859 -2.913 1.00 0.00 C ATOM 746 NE2 HIS A 49 0.442 24.631 -2.561 1.00 0.00 N ATOM 0 H HIS A 49 1.043 24.406 -9.263 1.00 0.00 H new ATOM 0 HA HIS A 49 2.740 24.308 -6.859 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.052 26.088 -6.401 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.204 24.878 -6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.690 25.830 -3.989 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.050 23.293 -2.162 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.007 24.784 -1.651 1.00 0.00 H new ATOM 754 N ALA A 50 2.400 21.884 -7.425 1.00 0.00 N ATOM 755 CA ALA A 50 2.230 20.421 -7.286 1.00 0.00 C ATOM 756 C ALA A 50 2.031 20.003 -5.798 1.00 0.00 C ATOM 757 O ALA A 50 2.961 19.995 -4.987 1.00 0.00 O ATOM 758 CB ALA A 50 3.447 19.779 -7.949 1.00 0.00 C ATOM 0 H ALA A 50 3.366 22.179 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 50 1.323 20.073 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.372 18.694 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.484 20.069 -8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.354 20.115 -7.447 1.00 0.00 H new ATOM 764 N GLN A 51 0.772 19.704 -5.481 1.00 0.00 N ATOM 765 CA GLN A 51 0.256 19.629 -4.082 1.00 0.00 C ATOM 766 C GLN A 51 0.382 18.200 -3.453 1.00 0.00 C ATOM 767 O GLN A 51 1.246 17.411 -3.840 1.00 0.00 O ATOM 768 CB GLN A 51 -1.206 20.174 -4.196 1.00 0.00 C ATOM 769 CG GLN A 51 -1.297 21.710 -4.332 1.00 0.00 C ATOM 770 CD GLN A 51 -2.610 22.190 -4.932 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.670 22.127 -4.312 1.00 0.00 O ATOM 772 NE2 GLN A 51 -2.592 22.669 -6.152 1.00 0.00 N ATOM 0 H GLN A 51 0.061 19.502 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 51 0.843 20.222 -3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.688 19.714 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.768 19.864 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.170 22.162 -3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.473 22.061 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.713 22.721 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.457 22.989 -6.587 1.00 0.00 H new ATOM 781 N ARG A 52 -0.469 17.876 -2.461 1.00 0.00 N ATOM 782 CA ARG A 52 -0.732 16.483 -2.008 1.00 0.00 C ATOM 783 C ARG A 52 -1.039 15.458 -3.153 1.00 0.00 C ATOM 784 O ARG A 52 -1.568 15.822 -4.208 1.00 0.00 O ATOM 785 CB ARG A 52 -1.896 16.568 -0.956 1.00 0.00 C ATOM 786 CG ARG A 52 -3.324 16.599 -1.521 1.00 0.00 C ATOM 787 CD ARG A 52 -4.383 17.396 -0.765 1.00 0.00 C ATOM 788 NE ARG A 52 -4.170 18.861 -0.840 1.00 0.00 N ATOM 789 CZ ARG A 52 -4.432 19.632 -1.896 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.007 19.226 -3.002 1.00 0.00 N ATOM 791 NH2 ARG A 52 -4.076 20.881 -1.828 1.00 0.00 N ATOM 0 H ARG A 52 -1.001 18.575 -1.942 1.00 0.00 H new ATOM 0 HA ARG A 52 0.181 16.080 -1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.813 15.714 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.747 17.464 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.272 16.994 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.674 15.570 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.367 17.157 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.384 17.088 0.281 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.790 19.319 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.291 18.251 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.170 19.885 -3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.616 21.235 -0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.257 21.506 -2.613 1.00 0.00 H new ATOM 805 N TRP A 53 -0.790 14.174 -2.899 1.00 0.00 N ATOM 806 CA TRP A 53 -1.315 13.072 -3.773 1.00 0.00 C ATOM 807 C TRP A 53 -2.749 12.698 -3.335 1.00 0.00 C ATOM 808 O TRP A 53 -2.959 11.697 -2.657 1.00 0.00 O ATOM 809 CB TRP A 53 -0.244 11.974 -3.745 1.00 0.00 C ATOM 810 CG TRP A 53 -0.486 10.516 -4.236 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.645 9.902 -4.803 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.389 9.452 -4.015 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.519 8.506 -4.897 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.265 8.244 -4.381 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.695 9.406 -3.427 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.370 6.989 -4.132 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.282 8.172 -3.189 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.629 6.976 -3.537 1.00 0.00 C ATOM 0 H TRP A 53 -0.235 13.851 -2.107 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.457 13.337 -4.821 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.599 12.355 -4.322 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.087 11.897 -2.709 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.519 10.449 -5.123 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.198 7.839 -5.263 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.214 10.318 -3.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.119 6.064 -4.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.258 8.129 -2.728 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.113 6.031 -3.339 1.00 0.00 H new ATOM 829 N ASP A 54 -3.739 13.482 -3.769 1.00 0.00 N ATOM 830 CA ASP A 54 -5.181 13.199 -3.561 1.00 0.00 C ATOM 831 C ASP A 54 -5.834 12.438 -4.761 1.00 0.00 C ATOM 832 O ASP A 54 -6.792 12.910 -5.380 1.00 0.00 O ATOM 833 CB ASP A 54 -5.894 14.513 -3.157 1.00 0.00 C ATOM 834 CG ASP A 54 -5.666 15.842 -3.888 1.00 0.00 C ATOM 835 OD1 ASP A 54 -4.874 15.943 -4.848 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.220 16.855 -3.411 1.00 0.00 O ATOM 0 H ASP A 54 -3.570 14.346 -4.283 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.300 12.495 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.964 14.312 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.649 14.689 -2.110 1.00 0.00 H new ATOM 841 N TYR A 55 -5.304 11.240 -5.088 1.00 0.00 N ATOM 842 CA TYR A 55 -5.571 10.579 -6.393 1.00 0.00 C ATOM 843 C TYR A 55 -5.709 9.033 -6.219 1.00 0.00 C ATOM 844 O TYR A 55 -4.940 8.394 -5.490 1.00 0.00 O ATOM 845 CB TYR A 55 -4.431 10.859 -7.433 1.00 0.00 C ATOM 846 CG TYR A 55 -4.133 12.340 -7.710 1.00 0.00 C ATOM 847 CD1 TYR A 55 -5.147 13.200 -8.165 1.00 0.00 C ATOM 848 CD2 TYR A 55 -2.922 12.900 -7.274 1.00 0.00 C ATOM 849 CE1 TYR A 55 -5.007 14.583 -8.042 1.00 0.00 C ATOM 850 CE2 TYR A 55 -2.780 14.284 -7.171 1.00 0.00 C ATOM 851 CZ TYR A 55 -3.837 15.121 -7.514 1.00 0.00 C ATOM 852 OH TYR A 55 -3.874 16.375 -6.988 1.00 0.00 O ATOM 0 H TYR A 55 -4.690 10.708 -4.471 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.506 10.998 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.516 10.383 -7.079 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.697 10.378 -8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.040 12.788 -8.612 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.095 12.255 -7.017 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.807 15.236 -8.357 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.848 14.706 -6.825 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.557 16.415 -6.286 1.00 0.00 H new ATOM 862 N THR A 56 -6.654 8.431 -6.956 1.00 0.00 N ATOM 863 CA THR A 56 -6.860 6.958 -6.943 1.00 0.00 C ATOM 864 C THR A 56 -5.835 6.240 -7.867 1.00 0.00 C ATOM 865 O THR A 56 -6.041 6.106 -9.077 1.00 0.00 O ATOM 866 CB THR A 56 -8.338 6.620 -7.306 1.00 0.00 C ATOM 867 OG1 THR A 56 -9.244 7.317 -6.457 1.00 0.00 O ATOM 868 CG2 THR A 56 -8.687 5.142 -7.131 1.00 0.00 C ATOM 0 H THR A 56 -7.293 8.934 -7.572 1.00 0.00 H new ATOM 0 HA THR A 56 -6.678 6.582 -5.936 1.00 0.00 H new ATOM 0 HB THR A 56 -8.431 6.909 -8.353 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.165 7.090 -6.705 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.730 4.980 -7.402 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.047 4.538 -7.775 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.533 4.852 -6.092 1.00 0.00 H new ATOM 876 N SER A 57 -4.755 5.724 -7.264 1.00 0.00 N ATOM 877 CA SER A 57 -3.896 4.706 -7.909 1.00 0.00 C ATOM 878 C SER A 57 -4.562 3.301 -7.935 1.00 0.00 C ATOM 879 O SER A 57 -5.411 2.977 -7.097 1.00 0.00 O ATOM 880 CB SER A 57 -2.528 4.698 -7.181 1.00 0.00 C ATOM 881 OG SER A 57 -2.537 4.033 -5.917 1.00 0.00 O ATOM 0 H SER A 57 -4.450 5.992 -6.328 1.00 0.00 H new ATOM 0 HA SER A 57 -3.748 4.966 -8.957 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.790 4.219 -7.825 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.202 5.728 -7.034 1.00 0.00 H new ATOM 0 HG SER A 57 -3.072 4.550 -5.279 1.00 0.00 H new ATOM 887 N THR A 58 -4.198 2.467 -8.912 1.00 0.00 N ATOM 888 CA THR A 58 -4.784 1.106 -9.050 1.00 0.00 C ATOM 889 C THR A 58 -3.816 0.129 -9.765 1.00 0.00 C ATOM 890 O THR A 58 -3.128 0.480 -10.730 1.00 0.00 O ATOM 891 CB THR A 58 -6.209 1.134 -9.673 1.00 0.00 C ATOM 892 OG1 THR A 58 -6.802 -0.164 -9.616 1.00 0.00 O ATOM 893 CG2 THR A 58 -6.307 1.610 -11.115 1.00 0.00 C ATOM 0 H THR A 58 -3.504 2.697 -9.623 1.00 0.00 H new ATOM 0 HA THR A 58 -4.918 0.710 -8.043 1.00 0.00 H new ATOM 0 HB THR A 58 -6.733 1.871 -9.064 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.397 -0.677 -8.886 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.348 1.585 -11.436 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.929 2.630 -11.188 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.714 0.957 -11.755 1.00 0.00 H new ATOM 901 N GLN A 59 -3.807 -1.119 -9.285 1.00 0.00 N ATOM 902 CA GLN A 59 -3.208 -2.256 -10.023 1.00 0.00 C ATOM 903 C GLN A 59 -4.382 -3.173 -10.508 1.00 0.00 C ATOM 904 O GLN A 59 -5.113 -3.726 -9.685 1.00 0.00 O ATOM 905 CB GLN A 59 -2.216 -3.030 -9.125 1.00 0.00 C ATOM 906 CG GLN A 59 -0.804 -2.424 -8.983 1.00 0.00 C ATOM 907 CD GLN A 59 -0.641 -1.222 -8.066 1.00 0.00 C ATOM 908 OE1 GLN A 59 -0.598 -1.343 -6.845 1.00 0.00 O ATOM 909 NE2 GLN A 59 -0.494 -0.033 -8.597 1.00 0.00 N ATOM 0 H GLN A 59 -4.208 -1.377 -8.383 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.637 -1.900 -10.881 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.652 -3.117 -8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.116 -4.041 -9.519 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.136 -3.209 -8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.460 -2.137 -9.977 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.528 0.081 -9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.346 0.779 -7.997 1.00 0.00 H new ATOM 918 N ARG A 60 -4.548 -3.291 -11.839 1.00 0.00 N ATOM 919 CA ARG A 60 -5.520 -4.212 -12.491 1.00 0.00 C ATOM 920 C ARG A 60 -7.001 -4.232 -12.007 1.00 0.00 C ATOM 921 O ARG A 60 -7.574 -5.301 -11.797 1.00 0.00 O ATOM 922 CB ARG A 60 -4.878 -5.615 -12.645 1.00 0.00 C ATOM 923 CG ARG A 60 -3.791 -5.774 -13.728 1.00 0.00 C ATOM 924 CD ARG A 60 -4.341 -5.756 -15.164 1.00 0.00 C ATOM 925 NE ARG A 60 -3.269 -6.146 -16.109 1.00 0.00 N ATOM 926 CZ ARG A 60 -3.427 -6.327 -17.419 1.00 0.00 C ATOM 927 NH1 ARG A 60 -4.538 -6.113 -18.077 1.00 0.00 N ATOM 928 NH2 ARG A 60 -2.400 -6.743 -18.100 1.00 0.00 N ATOM 0 H ARG A 60 -4.006 -2.744 -12.508 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.695 -3.762 -13.468 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.444 -5.896 -11.686 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.673 -6.330 -12.856 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.061 -4.972 -13.618 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.261 -6.712 -13.563 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.184 -6.442 -15.251 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.713 -4.761 -15.410 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.334 -6.287 -15.726 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.367 -5.782 -17.584 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.575 -6.277 -19.083 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.513 -6.919 -17.629 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.482 -6.893 -19.106 1.00 0.00 H new ATOM 942 N VAL A 61 -7.681 -3.073 -12.031 1.00 0.00 N ATOM 943 CA VAL A 61 -9.176 -2.983 -11.987 1.00 0.00 C ATOM 944 C VAL A 61 -9.830 -3.375 -13.360 1.00 0.00 C ATOM 945 O VAL A 61 -10.356 -2.568 -14.128 1.00 0.00 O ATOM 946 CB VAL A 61 -9.563 -1.606 -11.373 1.00 0.00 C ATOM 947 CG1 VAL A 61 -9.335 -0.363 -12.244 1.00 0.00 C ATOM 948 CG2 VAL A 61 -11.018 -1.608 -10.867 1.00 0.00 C ATOM 0 H VAL A 61 -7.222 -2.163 -12.081 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.609 -3.732 -11.324 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.853 -1.507 -10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.646 0.527 -11.697 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.277 -0.283 -12.495 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.920 -0.448 -13.160 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.257 -0.632 -10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.692 -1.819 -11.698 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.136 -2.374 -10.101 1.00 0.00 H new ATOM 958 N ASP A 62 -9.689 -4.673 -13.640 1.00 0.00 N ATOM 959 CA ASP A 62 -9.677 -5.226 -15.023 1.00 0.00 C ATOM 960 C ASP A 62 -10.609 -6.483 -15.137 1.00 0.00 C ATOM 961 O ASP A 62 -11.188 -6.985 -14.168 1.00 0.00 O ATOM 962 CB ASP A 62 -8.166 -5.543 -15.246 1.00 0.00 C ATOM 963 CG ASP A 62 -7.671 -5.776 -16.662 1.00 0.00 C ATOM 964 OD1 ASP A 62 -8.130 -6.719 -17.337 1.00 0.00 O ATOM 965 OD2 ASP A 62 -6.741 -5.060 -17.088 1.00 0.00 O ATOM 0 H ASP A 62 -9.578 -5.385 -12.918 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.068 -4.550 -15.784 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.590 -4.718 -14.826 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.925 -6.431 -14.661 1.00 0.00 H new ATOM 970 N ARG A 63 -10.692 -7.029 -16.360 1.00 0.00 N ATOM 971 CA ARG A 63 -11.067 -8.461 -16.555 1.00 0.00 C ATOM 972 C ARG A 63 -10.025 -9.523 -16.053 1.00 0.00 C ATOM 973 O ARG A 63 -10.436 -10.611 -15.643 1.00 0.00 O ATOM 974 CB ARG A 63 -11.502 -8.699 -18.024 1.00 0.00 C ATOM 975 CG ARG A 63 -10.417 -8.539 -19.107 1.00 0.00 C ATOM 976 CD ARG A 63 -10.919 -8.808 -20.536 1.00 0.00 C ATOM 977 NE ARG A 63 -11.145 -10.259 -20.757 1.00 0.00 N ATOM 978 CZ ARG A 63 -11.629 -10.801 -21.869 1.00 0.00 C ATOM 979 NH1 ARG A 63 -11.951 -10.110 -22.934 1.00 0.00 N ATOM 980 NH2 ARG A 63 -11.792 -12.091 -21.903 1.00 0.00 N ATOM 0 H ARG A 63 -10.510 -6.520 -17.225 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.914 -8.634 -15.891 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.909 -9.707 -18.098 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.314 -8.009 -18.253 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.015 -7.527 -19.058 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.595 -9.220 -18.887 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.846 -8.262 -20.708 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.191 -8.436 -21.257 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.909 -10.891 -19.992 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.834 -9.097 -22.939 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.318 -10.585 -23.758 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.550 -12.657 -21.090 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.162 -12.536 -22.743 1.00 0.00 H new ATOM 994 N LEU A 64 -8.714 -9.214 -16.056 1.00 0.00 N ATOM 995 CA LEU A 64 -7.694 -9.996 -15.315 1.00 0.00 C ATOM 996 C LEU A 64 -7.840 -9.793 -13.767 1.00 0.00 C ATOM 997 O LEU A 64 -7.820 -8.666 -13.261 1.00 0.00 O ATOM 998 CB LEU A 64 -6.271 -9.569 -15.764 1.00 0.00 C ATOM 999 CG LEU A 64 -5.668 -10.214 -17.029 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -5.489 -11.730 -16.881 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -6.421 -9.880 -18.317 1.00 0.00 C ATOM 0 H LEU A 64 -8.329 -8.420 -16.568 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.848 -11.051 -15.540 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.283 -8.490 -15.917 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.590 -9.766 -14.936 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.681 -9.761 -17.124 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.062 -12.137 -17.797 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.821 -11.938 -16.045 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.457 -12.194 -16.695 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.935 -10.371 -19.160 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.450 -10.230 -18.238 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.415 -8.801 -18.473 1.00 0.00 H new ATOM 1013 N ALA A 65 -7.997 -10.906 -13.038 1.00 0.00 N ATOM 1014 CA ALA A 65 -8.487 -10.873 -11.636 1.00 0.00 C ATOM 1015 C ALA A 65 -7.408 -10.575 -10.553 1.00 0.00 C ATOM 1016 O ALA A 65 -6.966 -11.440 -9.794 1.00 0.00 O ATOM 1017 CB ALA A 65 -9.225 -12.201 -11.414 1.00 0.00 C ATOM 0 H ALA A 65 -7.795 -11.843 -13.387 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.152 -10.019 -11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.611 -12.237 -10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.053 -12.279 -12.119 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.536 -13.031 -11.571 1.00 0.00 H new ATOM 1023 N ARG A 66 -7.048 -9.292 -10.474 1.00 0.00 N ATOM 1024 CA ARG A 66 -6.249 -8.719 -9.355 1.00 0.00 C ATOM 1025 C ARG A 66 -6.697 -7.241 -9.163 1.00 0.00 C ATOM 1026 O ARG A 66 -5.976 -6.318 -9.537 1.00 0.00 O ATOM 1027 CB ARG A 66 -4.742 -8.916 -9.677 1.00 0.00 C ATOM 1028 CG ARG A 66 -3.751 -8.401 -8.609 1.00 0.00 C ATOM 1029 CD ARG A 66 -2.914 -7.201 -9.088 1.00 0.00 C ATOM 1030 NE ARG A 66 -2.125 -6.634 -7.972 1.00 0.00 N ATOM 1031 CZ ARG A 66 -0.872 -6.930 -7.657 1.00 0.00 C ATOM 1032 NH1 ARG A 66 -0.119 -7.759 -8.329 1.00 0.00 N ATOM 1033 NH2 ARG A 66 -0.382 -6.351 -6.606 1.00 0.00 N ATOM 0 H ARG A 66 -7.298 -8.604 -11.184 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.416 -9.220 -8.401 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.559 -9.979 -9.832 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.523 -8.415 -10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.306 -8.115 -7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.081 -9.212 -8.323 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.246 -7.515 -9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.570 -6.435 -9.501 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.594 -5.944 -7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.488 -8.227 -9.157 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.838 -7.938 -8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.956 -5.703 -6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.578 -6.543 -6.319 1.00 0.00 H new ATOM 1047 N THR A 67 -7.898 -7.009 -8.607 1.00 0.00 N ATOM 1048 CA THR A 67 -8.556 -5.672 -8.691 1.00 0.00 C ATOM 1049 C THR A 67 -8.314 -4.826 -7.415 1.00 0.00 C ATOM 1050 O THR A 67 -9.072 -4.928 -6.444 1.00 0.00 O ATOM 1051 CB THR A 67 -10.075 -5.800 -9.016 1.00 0.00 C ATOM 1052 OG1 THR A 67 -10.771 -6.485 -7.975 1.00 0.00 O ATOM 1053 CG2 THR A 67 -10.375 -6.488 -10.350 1.00 0.00 C ATOM 0 H THR A 67 -8.435 -7.712 -8.099 1.00 0.00 H new ATOM 0 HA THR A 67 -8.090 -5.139 -9.519 1.00 0.00 H new ATOM 0 HB THR A 67 -10.428 -4.772 -9.096 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.419 -6.202 -7.105 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.454 -6.537 -10.500 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.921 -5.920 -11.162 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.964 -7.498 -10.339 1.00 0.00 H new ATOM 1061 N GLU A 68 -7.262 -3.998 -7.445 1.00 0.00 N ATOM 1062 CA GLU A 68 -6.785 -3.262 -6.259 1.00 0.00 C ATOM 1063 C GLU A 68 -7.028 -1.729 -6.426 1.00 0.00 C ATOM 1064 O GLU A 68 -6.454 -1.075 -7.306 1.00 0.00 O ATOM 1065 CB GLU A 68 -5.271 -3.552 -6.085 1.00 0.00 C ATOM 1066 CG GLU A 68 -4.939 -4.990 -5.638 1.00 0.00 C ATOM 1067 CD GLU A 68 -3.488 -5.220 -5.269 1.00 0.00 C ATOM 1068 OE1 GLU A 68 -2.576 -4.745 -5.984 1.00 0.00 O ATOM 1069 OE2 GLU A 68 -3.220 -5.865 -4.239 1.00 0.00 O ATOM 0 H GLU A 68 -6.716 -3.817 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.334 -3.589 -5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.766 -3.354 -7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.863 -2.855 -5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.562 -5.242 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.209 -5.677 -6.440 1.00 0.00 H new ATOM 1076 N ILE A 69 -7.871 -1.177 -5.551 1.00 0.00 N ATOM 1077 CA ILE A 69 -8.193 0.277 -5.505 1.00 0.00 C ATOM 1078 C ILE A 69 -7.317 0.898 -4.361 1.00 0.00 C ATOM 1079 O ILE A 69 -7.403 0.491 -3.198 1.00 0.00 O ATOM 1080 CB ILE A 69 -9.731 0.474 -5.280 1.00 0.00 C ATOM 1081 CG1 ILE A 69 -10.624 0.020 -6.481 1.00 0.00 C ATOM 1082 CG2 ILE A 69 -10.096 1.967 -5.033 1.00 0.00 C ATOM 1083 CD1 ILE A 69 -10.872 -1.482 -6.613 1.00 0.00 C ATOM 0 H ILE A 69 -8.362 -1.721 -4.841 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.962 0.783 -6.442 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.934 -0.152 -4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -11.589 0.520 -6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.162 0.372 -7.403 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.172 2.058 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.573 2.328 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.799 2.562 -5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.503 -1.672 -7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.920 -1.998 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.370 -1.849 -5.715 1.00 0.00 H new ATOM 1095 N LYS A 70 -6.448 1.854 -4.703 1.00 0.00 N ATOM 1096 CA LYS A 70 -5.394 2.358 -3.782 1.00 0.00 C ATOM 1097 C LYS A 70 -5.358 3.917 -3.800 1.00 0.00 C ATOM 1098 O LYS A 70 -4.483 4.541 -4.412 1.00 0.00 O ATOM 1099 CB LYS A 70 -4.042 1.695 -4.169 1.00 0.00 C ATOM 1100 CG LYS A 70 -3.907 0.230 -3.695 1.00 0.00 C ATOM 1101 CD LYS A 70 -2.848 -0.551 -4.491 1.00 0.00 C ATOM 1102 CE LYS A 70 -2.533 -1.897 -3.822 1.00 0.00 C ATOM 1103 NZ LYS A 70 -1.578 -2.662 -4.663 1.00 0.00 N ATOM 0 H LYS A 70 -6.445 2.306 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.610 2.083 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.929 1.728 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.226 2.281 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.645 0.216 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.871 -0.270 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.205 -0.721 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.937 0.042 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.109 -1.731 -2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.450 -2.469 -3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.956 -3.230 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.105 -3.291 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.003 -2.001 -5.224 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.304 4.542 -3.086 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.375 6.026 -2.946 1.00 0.00 C ATOM 1119 C ASN A 71 -5.671 6.561 -1.661 1.00 0.00 C ATOM 1120 O ASN A 71 -6.295 7.058 -0.720 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.819 6.521 -3.177 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.953 5.963 -2.341 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.572 4.966 -2.700 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.275 6.597 -1.241 1.00 0.00 N ATOM 0 H ASN A 71 -7.044 4.048 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.779 6.478 -3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.817 7.602 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.063 6.332 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.051 6.264 -0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.750 7.424 -0.957 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.332 6.501 -1.685 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.458 6.961 -0.571 1.00 0.00 C ATOM 1133 C PHE A 72 -3.315 8.506 -0.579 1.00 0.00 C ATOM 1134 O PHE A 72 -2.556 9.056 -1.383 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.124 6.204 -0.804 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.024 6.390 0.247 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.065 5.692 1.463 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.107 7.167 -0.040 1.00 0.00 C ATOM 1139 CE1 PHE A 72 0.012 5.735 2.349 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.178 7.226 0.854 1.00 0.00 C ATOM 1141 CZ PHE A 72 1.135 6.499 2.040 1.00 0.00 C ATOM 0 H PHE A 72 -3.811 6.131 -2.480 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.858 6.743 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.347 5.139 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.724 6.512 -1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.941 5.114 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.150 7.726 -0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.025 5.177 3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.040 7.836 0.625 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.973 6.527 2.721 1.00 0.00 H new ATOM 1151 N THR A 73 -4.060 9.203 0.301 1.00 0.00 N ATOM 1152 CA THR A 73 -4.049 10.697 0.333 1.00 0.00 C ATOM 1153 C THR A 73 -2.879 11.199 1.213 1.00 0.00 C ATOM 1154 O THR A 73 -2.967 11.216 2.444 1.00 0.00 O ATOM 1155 CB THR A 73 -5.437 11.252 0.737 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.415 10.753 -0.172 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.522 12.782 0.671 1.00 0.00 C ATOM 0 H THR A 73 -4.672 8.772 0.994 1.00 0.00 H new ATOM 0 HA THR A 73 -3.866 11.089 -0.667 1.00 0.00 H new ATOM 0 HB THR A 73 -5.606 10.936 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.298 11.097 0.076 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.521 13.104 0.966 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.786 13.217 1.347 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.320 13.114 -0.347 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.775 11.576 0.557 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.503 11.933 1.244 1.00 0.00 C ATOM 1167 C VAL A 74 -0.110 13.401 0.944 1.00 0.00 C ATOM 1168 O VAL A 74 -0.070 13.854 -0.202 1.00 0.00 O ATOM 1169 CB VAL A 74 0.609 10.876 0.993 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.938 10.590 -0.470 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.945 11.236 1.679 1.00 0.00 C ATOM 0 H VAL A 74 -1.726 11.646 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.655 11.896 2.323 1.00 0.00 H new ATOM 0 HB VAL A 74 0.159 9.983 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.726 9.839 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.047 10.220 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.276 11.507 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.683 10.462 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.304 12.192 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.793 11.309 2.756 1.00 0.00 H new ATOM 1181 N PHE A 75 0.195 14.125 2.019 1.00 0.00 N ATOM 1182 CA PHE A 75 0.381 15.588 2.003 1.00 0.00 C ATOM 1183 C PHE A 75 1.878 15.958 1.851 1.00 0.00 C ATOM 1184 O PHE A 75 2.759 15.388 2.504 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.210 16.159 3.322 1.00 0.00 C ATOM 1186 CG PHE A 75 -1.752 16.127 3.359 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.450 15.009 3.850 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.485 17.206 2.852 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -3.845 14.984 3.851 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -3.880 17.187 2.868 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.558 16.076 3.365 1.00 0.00 C ATOM 0 H PHE A 75 0.323 13.713 2.943 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.136 16.022 1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.179 15.588 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.129 17.187 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.900 14.161 4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.966 18.061 2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.370 14.119 4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.435 18.035 2.495 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.638 16.062 3.373 1.00 0.00 H new ATOM 1201 N PHE A 76 2.135 16.934 0.982 1.00 0.00 N ATOM 1202 CA PHE A 76 3.500 17.436 0.694 1.00 0.00 C ATOM 1203 C PHE A 76 3.494 18.996 0.805 1.00 0.00 C ATOM 1204 O PHE A 76 2.513 19.638 0.407 1.00 0.00 O ATOM 1205 CB PHE A 76 3.963 17.025 -0.730 1.00 0.00 C ATOM 1206 CG PHE A 76 3.906 15.526 -1.064 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.797 14.610 -0.487 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.922 15.044 -1.936 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.679 13.244 -0.751 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.817 13.682 -2.213 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.691 12.782 -1.615 1.00 0.00 C ATOM 0 H PHE A 76 1.406 17.409 0.449 1.00 0.00 H new ATOM 0 HA PHE A 76 4.192 17.000 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.350 17.560 -1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.989 17.366 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.581 14.964 0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.235 15.737 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.356 12.544 -0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.057 13.326 -2.892 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.603 11.725 -1.821 1.00 0.00 H new ATOM 1221 N GLU A 77 4.584 19.609 1.304 1.00 0.00 N ATOM 1222 CA GLU A 77 4.687 21.114 1.345 1.00 0.00 C ATOM 1223 C GLU A 77 4.718 21.760 -0.078 1.00 0.00 C ATOM 1224 O GLU A 77 3.764 22.414 -0.505 1.00 0.00 O ATOM 1225 CB GLU A 77 5.729 21.579 2.389 1.00 0.00 C ATOM 1226 CG GLU A 77 7.112 22.102 1.980 1.00 0.00 C ATOM 1227 CD GLU A 77 8.133 21.151 1.392 1.00 0.00 C ATOM 1228 OE1 GLU A 77 7.779 20.268 0.583 1.00 0.00 O ATOM 1229 OE2 GLU A 77 9.328 21.309 1.711 1.00 0.00 O ATOM 0 H GLU A 77 5.395 19.118 1.679 1.00 0.00 H new ATOM 0 HA GLU A 77 3.760 21.534 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.256 22.366 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.897 20.738 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.956 22.901 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.562 22.557 2.863 1.00 0.00 H new ATOM 1236 N ASN A 78 5.765 21.443 -0.840 1.00 0.00 N ATOM 1237 CA ASN A 78 5.639 21.139 -2.284 1.00 0.00 C ATOM 1238 C ASN A 78 6.189 19.697 -2.531 1.00 0.00 C ATOM 1239 O ASN A 78 5.411 18.854 -2.981 1.00 0.00 O ATOM 1240 CB ASN A 78 6.296 22.250 -3.129 1.00 0.00 C ATOM 1241 CG ASN A 78 5.948 22.198 -4.616 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.216 21.230 -5.323 1.00 0.00 O ATOM 1243 ND2 ASN A 78 5.357 23.234 -5.161 1.00 0.00 N ATOM 0 H ASN A 78 6.720 21.387 -0.487 1.00 0.00 H new ATOM 0 HA ASN A 78 4.598 21.136 -2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.995 23.219 -2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.378 22.182 -3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.128 23.226 -6.155 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.126 24.048 -4.591 1.00 0.00 H new ATOM 1250 N GLU A 79 7.481 19.414 -2.265 1.00 0.00 N ATOM 1251 CA GLU A 79 8.070 18.065 -2.463 1.00 0.00 C ATOM 1252 C GLU A 79 8.118 17.143 -1.198 1.00 0.00 C ATOM 1253 O GLU A 79 7.850 15.948 -1.356 1.00 0.00 O ATOM 1254 CB GLU A 79 9.487 18.201 -3.099 1.00 0.00 C ATOM 1255 CG GLU A 79 9.894 16.947 -3.904 1.00 0.00 C ATOM 1256 CD GLU A 79 11.380 16.784 -4.148 1.00 0.00 C ATOM 1257 OE1 GLU A 79 11.888 17.333 -5.146 1.00 0.00 O ATOM 1258 OE2 GLU A 79 12.036 16.050 -3.375 1.00 0.00 O ATOM 0 H GLU A 79 8.143 20.104 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 79 7.384 17.551 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.506 19.072 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.220 18.378 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.531 16.065 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.386 16.974 -4.868 1.00 0.00 H new ATOM 1265 N GLN A 80 8.511 17.626 0.000 1.00 0.00 N ATOM 1266 CA GLN A 80 8.809 16.732 1.159 1.00 0.00 C ATOM 1267 C GLN A 80 7.549 16.271 1.929 1.00 0.00 C ATOM 1268 O GLN A 80 6.543 16.984 2.003 1.00 0.00 O ATOM 1269 CB GLN A 80 9.934 17.341 2.035 1.00 0.00 C ATOM 1270 CG GLN A 80 9.520 18.256 3.199 1.00 0.00 C ATOM 1271 CD GLN A 80 10.699 18.929 3.888 1.00 0.00 C ATOM 1272 OE1 GLN A 80 11.321 18.385 4.795 1.00 0.00 O ATOM 1273 NE2 GLN A 80 11.041 20.133 3.504 1.00 0.00 N ATOM 0 H GLN A 80 8.631 18.619 0.197 1.00 0.00 H new ATOM 0 HA GLN A 80 9.200 15.792 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.520 16.519 2.447 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.597 17.909 1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.841 19.023 2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.966 17.670 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.529 20.593 2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.819 20.611 3.958 1.00 0.00 H new ATOM 1282 N VAL A 81 7.597 15.055 2.492 1.00 0.00 N ATOM 1283 CA VAL A 81 6.369 14.349 2.950 1.00 0.00 C ATOM 1284 C VAL A 81 5.967 14.773 4.403 1.00 0.00 C ATOM 1285 O VAL A 81 6.790 14.767 5.323 1.00 0.00 O ATOM 1286 CB VAL A 81 6.483 12.783 2.878 1.00 0.00 C ATOM 1287 CG1 VAL A 81 5.079 12.153 2.780 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.365 12.193 1.766 1.00 0.00 C ATOM 0 H VAL A 81 8.461 14.535 2.645 1.00 0.00 H new ATOM 0 HA VAL A 81 5.590 14.655 2.252 1.00 0.00 H new ATOM 0 HB VAL A 81 6.995 12.528 3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.170 11.068 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.494 12.429 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.579 12.516 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.355 11.105 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.980 12.501 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.387 12.554 1.882 1.00 0.00 H new ATOM 1298 N VAL A 82 4.685 15.103 4.571 1.00 0.00 N ATOM 1299 CA VAL A 82 4.140 15.660 5.842 1.00 0.00 C ATOM 1300 C VAL A 82 3.367 14.538 6.609 1.00 0.00 C ATOM 1301 O VAL A 82 3.817 14.131 7.681 1.00 0.00 O ATOM 1302 CB VAL A 82 3.327 16.960 5.527 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.657 17.593 6.763 1.00 0.00 C ATOM 1304 CG2 VAL A 82 4.212 18.069 4.893 1.00 0.00 C ATOM 0 H VAL A 82 3.983 14.997 3.838 1.00 0.00 H new ATOM 0 HA VAL A 82 4.927 15.977 6.526 1.00 0.00 H new ATOM 0 HB VAL A 82 2.562 16.616 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.113 18.489 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.963 16.879 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.420 17.860 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.603 18.950 4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.015 18.332 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.640 17.704 3.959 1.00 0.00 H new ATOM 1314 N ARG A 83 2.227 14.049 6.080 1.00 0.00 N ATOM 1315 CA ARG A 83 1.432 12.941 6.696 1.00 0.00 C ATOM 1316 C ARG A 83 0.495 12.254 5.647 1.00 0.00 C ATOM 1317 O ARG A 83 0.257 12.787 4.558 1.00 0.00 O ATOM 1318 CB ARG A 83 0.738 13.364 8.013 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.202 14.577 8.020 1.00 0.00 C ATOM 1320 CD ARG A 83 -1.609 14.372 7.456 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.436 13.381 8.185 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.086 13.594 9.324 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -2.942 14.665 10.062 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.914 12.678 9.721 1.00 0.00 N ATOM 0 H ARG A 83 1.823 14.404 5.214 1.00 0.00 H new ATOM 0 HA ARG A 83 2.129 12.164 7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.167 12.507 8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.521 13.554 8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.297 14.925 9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.275 15.378 7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.129 15.330 7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.525 14.058 6.415 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.513 12.450 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.298 15.401 9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.474 14.764 10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.046 11.834 9.164 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.433 12.802 10.590 1.00 0.00 H new ATOM 1338 N TRP A 84 0.011 11.041 5.960 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.628 10.140 4.968 1.00 0.00 C ATOM 1340 C TRP A 84 -1.874 9.377 5.503 1.00 0.00 C ATOM 1341 O TRP A 84 -1.824 8.713 6.541 1.00 0.00 O ATOM 1342 CB TRP A 84 0.378 9.158 4.328 1.00 0.00 C ATOM 1343 CG TRP A 84 1.347 8.346 5.217 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.169 7.032 5.728 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.648 8.700 5.582 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.295 6.599 6.447 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.195 7.637 6.342 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.464 9.831 5.244 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.544 7.704 6.791 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.777 9.871 5.692 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.308 8.824 6.466 1.00 0.00 C ATOM 0 H TRP A 84 0.048 10.652 6.902 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.992 10.814 4.193 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.198 8.443 3.741 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.986 9.730 3.627 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.278 6.440 5.582 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.419 5.713 6.938 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.063 10.639 4.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.969 6.900 7.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.399 10.718 5.443 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.328 8.889 6.816 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.950 9.427 4.707 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.216 8.710 4.981 1.00 0.00 C ATOM 1364 C GLU A 85 -4.353 7.528 3.973 1.00 0.00 C ATOM 1365 O GLU A 85 -4.632 7.717 2.781 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.404 9.701 4.857 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.762 10.479 6.137 1.00 0.00 C ATOM 1368 CD GLU A 85 -4.692 11.379 6.713 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -4.485 12.497 6.206 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -4.058 10.991 7.720 1.00 0.00 O ATOM 0 H GLU A 85 -2.973 9.970 3.844 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.218 8.305 5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.173 10.419 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.284 9.145 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.642 11.088 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.048 9.758 6.903 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.158 6.303 4.479 1.00 0.00 N ATOM 1378 CA GLY A 86 -4.271 5.081 3.658 1.00 0.00 C ATOM 1379 C GLY A 86 -5.669 4.460 3.575 1.00 0.00 C ATOM 1380 O GLY A 86 -5.922 3.412 4.170 1.00 0.00 O ATOM 0 H GLY A 86 -3.920 6.127 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.937 5.313 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.585 4.334 4.057 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.523 5.068 2.746 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.785 4.430 2.277 1.00 0.00 C ATOM 1386 C ASP A 87 -7.475 3.638 0.970 1.00 0.00 C ATOM 1387 O ASP A 87 -7.441 4.176 -0.140 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.837 5.545 2.148 1.00 0.00 C ATOM 1389 CG ASP A 87 -10.242 5.040 1.841 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -10.842 4.369 2.708 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -10.754 5.312 0.734 1.00 0.00 O ATOM 0 H ASP A 87 -6.373 6.007 2.377 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.197 3.695 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.862 6.116 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.529 6.232 1.360 1.00 0.00 H new ATOM 1396 N TYR A 88 -7.121 2.359 1.145 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.429 1.563 0.100 1.00 0.00 C ATOM 1398 C TYR A 88 -6.587 0.028 0.313 1.00 0.00 C ATOM 1399 O TYR A 88 -6.865 -0.438 1.421 1.00 0.00 O ATOM 1400 CB TYR A 88 -4.945 2.007 -0.052 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.911 1.889 1.082 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -4.152 1.332 2.356 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -2.628 2.375 0.812 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -3.139 1.281 3.317 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.612 2.314 1.774 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.870 1.767 3.025 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.884 1.712 3.965 1.00 0.00 O ATOM 0 H TYR A 88 -7.300 1.841 2.005 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.922 1.773 -0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.541 1.450 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.965 3.057 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.131 0.941 2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.417 2.805 -0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.343 0.862 4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.627 2.692 1.543 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.059 2.093 3.597 1.00 0.00 H new ATOM 1417 N PHE A 89 -6.329 -0.766 -0.739 1.00 0.00 N ATOM 1418 CA PHE A 89 -6.153 -2.240 -0.606 1.00 0.00 C ATOM 1419 C PHE A 89 -4.768 -2.593 0.063 1.00 0.00 C ATOM 1420 O PHE A 89 -3.737 -2.324 -0.568 1.00 0.00 O ATOM 1421 CB PHE A 89 -6.268 -2.901 -2.009 1.00 0.00 C ATOM 1422 CG PHE A 89 -7.682 -3.375 -2.403 1.00 0.00 C ATOM 1423 CD1 PHE A 89 -8.767 -2.483 -2.493 1.00 0.00 C ATOM 1424 CD2 PHE A 89 -7.897 -4.720 -2.743 1.00 0.00 C ATOM 1425 CE1 PHE A 89 -10.020 -2.922 -2.922 1.00 0.00 C ATOM 1426 CE2 PHE A 89 -9.151 -5.159 -3.173 1.00 0.00 C ATOM 1427 CZ PHE A 89 -10.209 -4.257 -3.265 1.00 0.00 C ATOM 0 H PHE A 89 -6.236 -0.422 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.937 -2.629 0.043 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.920 -2.189 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.593 -3.756 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.628 -1.446 -2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.082 -5.425 -2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -10.843 -2.226 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.301 -6.196 -3.434 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.177 -4.595 -3.603 1.00 0.00 H new ATOM 1437 N PRO A 90 -4.683 -3.190 1.288 1.00 0.00 N ATOM 1438 CA PRO A 90 -3.378 -3.462 1.971 1.00 0.00 C ATOM 1439 C PRO A 90 -2.706 -4.768 1.473 1.00 0.00 C ATOM 1440 O PRO A 90 -2.847 -5.849 2.052 1.00 0.00 O ATOM 1441 CB PRO A 90 -3.810 -3.484 3.462 1.00 0.00 C ATOM 1442 CG PRO A 90 -5.232 -4.092 3.434 1.00 0.00 C ATOM 1443 CD PRO A 90 -5.843 -3.493 2.156 1.00 0.00 C ATOM 0 HA PRO A 90 -2.598 -2.727 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.131 -4.087 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.813 -2.482 3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.204 -5.181 3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.804 -3.819 4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.523 -4.196 1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.418 -2.593 2.376 1.00 0.00 H new ATOM 1451 N SER A 91 -1.958 -4.630 0.376 1.00 0.00 N ATOM 1452 CA SER A 91 -1.406 -5.783 -0.392 1.00 0.00 C ATOM 1453 C SER A 91 -0.097 -6.378 0.221 1.00 0.00 C ATOM 1454 O SER A 91 0.990 -6.356 -0.365 1.00 0.00 O ATOM 1455 CB SER A 91 -1.183 -5.284 -1.850 1.00 0.00 C ATOM 1456 OG SER A 91 -2.357 -4.692 -2.405 1.00 0.00 O ATOM 0 H SER A 91 -1.710 -3.722 -0.017 1.00 0.00 H new ATOM 0 HA SER A 91 -2.115 -6.611 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.371 -4.557 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.871 -6.121 -2.474 1.00 0.00 H new ATOM 0 HG SER A 91 -2.859 -5.368 -2.906 1.00 0.00 H new ATOM 1462 N GLN A 92 -0.236 -6.919 1.442 1.00 0.00 N ATOM 1463 CA GLN A 92 0.927 -7.117 2.356 1.00 0.00 C ATOM 1464 C GLN A 92 1.869 -8.368 2.179 1.00 0.00 C ATOM 1465 O GLN A 92 2.724 -8.623 3.035 1.00 0.00 O ATOM 1466 CB GLN A 92 0.451 -7.017 3.834 1.00 0.00 C ATOM 1467 CG GLN A 92 -0.214 -5.688 4.245 1.00 0.00 C ATOM 1468 CD GLN A 92 0.098 -5.250 5.671 1.00 0.00 C ATOM 1469 OE1 GLN A 92 1.237 -4.945 6.012 1.00 0.00 O ATOM 1470 NE2 GLN A 92 -0.884 -5.152 6.533 1.00 0.00 N ATOM 0 H GLN A 92 -1.129 -7.228 1.827 1.00 0.00 H new ATOM 0 HA GLN A 92 1.589 -6.307 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.255 -7.826 4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.310 -7.186 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 92 0.108 -4.906 3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.294 -5.785 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.833 -5.404 6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.700 -4.824 7.481 1.00 0.00 H new ATOM 1479 N ASP A 93 1.769 -9.035 1.035 1.00 0.00 N ATOM 1480 CA ASP A 93 2.695 -10.114 0.616 1.00 0.00 C ATOM 1481 C ASP A 93 2.489 -10.329 -0.917 1.00 0.00 C ATOM 1482 O ASP A 93 1.482 -10.896 -1.354 1.00 0.00 O ATOM 1483 CB ASP A 93 2.496 -11.421 1.420 1.00 0.00 C ATOM 1484 CG ASP A 93 3.683 -12.383 1.325 1.00 0.00 C ATOM 1485 OD1 ASP A 93 4.105 -12.736 0.204 1.00 0.00 O ATOM 1486 OD2 ASP A 93 4.226 -12.763 2.386 1.00 0.00 O ATOM 0 H ASP A 93 1.035 -8.848 0.352 1.00 0.00 H new ATOM 0 HA ASP A 93 3.723 -9.818 0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.324 -11.172 2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.599 -11.926 1.061 1.00 0.00 H new ATOM 1491 N GLU A 94 3.456 -9.862 -1.715 1.00 0.00 N ATOM 1492 CA GLU A 94 3.526 -10.180 -3.162 1.00 0.00 C ATOM 1493 C GLU A 94 4.856 -10.924 -3.461 1.00 0.00 C ATOM 1494 O GLU A 94 5.867 -10.326 -3.842 1.00 0.00 O ATOM 1495 CB GLU A 94 3.284 -8.882 -3.969 1.00 0.00 C ATOM 1496 CG GLU A 94 3.127 -9.132 -5.482 1.00 0.00 C ATOM 1497 CD GLU A 94 2.497 -8.020 -6.301 1.00 0.00 C ATOM 1498 OE1 GLU A 94 2.043 -6.986 -5.770 1.00 0.00 O ATOM 1499 OE2 GLU A 94 2.356 -8.223 -7.525 1.00 0.00 O ATOM 0 H GLU A 94 4.210 -9.258 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 94 2.742 -10.869 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.387 -8.389 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.117 -8.198 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.114 -9.340 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.528 -10.033 -5.616 1.00 0.00 H new ATOM 1506 N GLN A 95 4.833 -12.252 -3.268 1.00 0.00 N ATOM 1507 CA GLN A 95 6.011 -13.129 -3.489 1.00 0.00 C ATOM 1508 C GLN A 95 5.600 -14.321 -4.408 1.00 0.00 C ATOM 1509 O GLN A 95 5.369 -15.451 -3.966 1.00 0.00 O ATOM 1510 CB GLN A 95 6.587 -13.603 -2.132 1.00 0.00 C ATOM 1511 CG GLN A 95 7.230 -12.516 -1.248 1.00 0.00 C ATOM 1512 CD GLN A 95 8.528 -11.916 -1.761 1.00 0.00 C ATOM 1513 OE1 GLN A 95 9.620 -12.400 -1.482 1.00 0.00 O ATOM 1514 NE2 GLN A 95 8.478 -10.833 -2.498 1.00 0.00 N ATOM 0 H GLN A 95 4.003 -12.755 -2.955 1.00 0.00 H new ATOM 0 HA GLN A 95 6.803 -12.575 -3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.784 -14.075 -1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.334 -14.372 -2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.508 -11.710 -1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.415 -12.942 -0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.577 -10.420 -2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 95 9.341 -10.403 -2.832 1.00 0.00 H new ATOM 1523 N LEU A 96 5.529 -14.037 -5.718 1.00 0.00 N ATOM 1524 CA LEU A 96 5.076 -15.026 -6.737 1.00 0.00 C ATOM 1525 C LEU A 96 6.227 -15.996 -7.149 1.00 0.00 C ATOM 1526 O LEU A 96 6.918 -15.797 -8.155 1.00 0.00 O ATOM 1527 CB LEU A 96 4.471 -14.197 -7.899 1.00 0.00 C ATOM 1528 CG LEU A 96 3.763 -14.989 -9.021 1.00 0.00 C ATOM 1529 CD1 LEU A 96 2.494 -15.703 -8.543 1.00 0.00 C ATOM 1530 CD2 LEU A 96 3.392 -14.027 -10.165 1.00 0.00 C ATOM 0 H LEU A 96 5.779 -13.128 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 96 4.313 -15.702 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.755 -13.491 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.270 -13.609 -8.350 1.00 0.00 H new ATOM 0 HG LEU A 96 4.461 -15.756 -9.358 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.043 -16.241 -9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.749 -16.408 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.786 -14.968 -8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.892 -14.582 -10.959 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.724 -13.253 -9.787 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.297 -13.565 -10.560 1.00 0.00 H new ATOM 1542 N ALA A 97 6.414 -17.052 -6.338 1.00 0.00 N ATOM 1543 CA ALA A 97 7.592 -17.947 -6.438 1.00 0.00 C ATOM 1544 C ALA A 97 7.470 -19.024 -7.555 1.00 0.00 C ATOM 1545 O ALA A 97 6.996 -20.143 -7.346 1.00 0.00 O ATOM 1546 CB ALA A 97 7.783 -18.557 -5.038 1.00 0.00 C ATOM 0 H ALA A 97 5.761 -17.312 -5.599 1.00 0.00 H new ATOM 0 HA ALA A 97 8.471 -17.378 -6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.641 -19.229 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.955 -17.760 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.889 -19.114 -4.759 1.00 0.00 H new ATOM 1552 N LYS A 98 7.908 -18.640 -8.761 1.00 0.00 N ATOM 1553 CA LYS A 98 7.827 -19.488 -9.979 1.00 0.00 C ATOM 1554 C LYS A 98 8.894 -19.071 -11.043 1.00 0.00 C ATOM 1555 O LYS A 98 9.505 -17.999 -10.976 1.00 0.00 O ATOM 1556 CB LYS A 98 6.375 -19.594 -10.515 1.00 0.00 C ATOM 1557 CG LYS A 98 5.550 -18.331 -10.815 1.00 0.00 C ATOM 1558 CD LYS A 98 6.013 -17.489 -12.011 1.00 0.00 C ATOM 1559 CE LYS A 98 6.857 -16.269 -11.612 1.00 0.00 C ATOM 1560 NZ LYS A 98 7.618 -15.792 -12.798 1.00 0.00 N ATOM 0 H LYS A 98 8.333 -17.728 -8.930 1.00 0.00 H new ATOM 0 HA LYS A 98 8.091 -20.509 -9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.416 -20.176 -11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.809 -20.181 -9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.516 -18.630 -10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.557 -17.698 -9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.594 -18.118 -12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.139 -17.150 -12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.214 -15.474 -11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.543 -16.534 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.360 -15.130 -12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.055 -16.604 -13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.972 -15.308 -13.454 1.00 0.00 H new ATOM 1574 N ALA A 99 9.106 -19.932 -12.047 1.00 0.00 N ATOM 1575 CA ALA A 99 10.144 -19.734 -13.082 1.00 0.00 C ATOM 1576 C ALA A 99 9.984 -18.478 -13.998 1.00 0.00 C ATOM 1577 O ALA A 99 8.901 -17.905 -14.168 1.00 0.00 O ATOM 1578 CB ALA A 99 10.140 -21.034 -13.913 1.00 0.00 C ATOM 0 H ALA A 99 8.565 -20.788 -12.170 1.00 0.00 H new ATOM 0 HA ALA A 99 11.092 -19.531 -12.583 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.887 -20.963 -14.704 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.375 -21.880 -13.267 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.155 -21.179 -14.357 1.00 0.00 H new ATOM 1584 N ALA A 100 11.120 -18.068 -14.566 1.00 0.00 N ATOM 1585 CA ALA A 100 11.200 -16.968 -15.551 1.00 0.00 C ATOM 1586 C ALA A 100 11.516 -17.532 -16.976 1.00 0.00 C ATOM 1587 O ALA A 100 12.683 -17.861 -17.229 1.00 0.00 O ATOM 1588 CB ALA A 100 12.279 -15.998 -15.044 1.00 0.00 C ATOM 0 H ALA A 100 12.025 -18.490 -14.358 1.00 0.00 H new ATOM 0 HA ALA A 100 10.251 -16.440 -15.646 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.376 -15.165 -15.740 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.995 -15.619 -14.062 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.232 -16.521 -14.969 1.00 0.00 H new ATOM 1594 N PRO A 101 10.549 -17.677 -17.929 1.00 0.00 N ATOM 1595 CA PRO A 101 10.812 -18.371 -19.237 1.00 0.00 C ATOM 1596 C PRO A 101 11.483 -17.472 -20.309 1.00 0.00 C ATOM 1597 O PRO A 101 10.854 -16.984 -21.253 1.00 0.00 O ATOM 1598 CB PRO A 101 9.394 -18.883 -19.608 1.00 0.00 C ATOM 1599 CG PRO A 101 8.436 -17.822 -19.023 1.00 0.00 C ATOM 1600 CD PRO A 101 9.109 -17.416 -17.701 1.00 0.00 C ATOM 0 HA PRO A 101 11.550 -19.171 -19.169 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.274 -18.974 -20.688 1.00 0.00 H new ATOM 0 HB3 PRO A 101 9.203 -19.868 -19.182 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.324 -16.970 -19.694 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.439 -18.230 -18.856 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.927 -16.367 -17.468 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.726 -18.000 -16.864 1.00 0.00 H new ATOM 1608 N LYS A 102 12.802 -17.291 -20.157 1.00 0.00 N ATOM 1609 CA LYS A 102 13.614 -16.435 -21.060 1.00 0.00 C ATOM 1610 C LYS A 102 14.075 -17.176 -22.348 1.00 0.00 C ATOM 1611 O LYS A 102 15.200 -17.674 -22.451 1.00 0.00 O ATOM 1612 CB LYS A 102 14.745 -15.746 -20.249 1.00 0.00 C ATOM 1613 CG LYS A 102 15.785 -16.643 -19.548 1.00 0.00 C ATOM 1614 CD LYS A 102 16.808 -15.798 -18.765 1.00 0.00 C ATOM 1615 CE LYS A 102 17.935 -16.618 -18.107 1.00 0.00 C ATOM 1616 NZ LYS A 102 17.447 -17.400 -16.934 1.00 0.00 N ATOM 0 H LYS A 102 13.343 -17.728 -19.411 1.00 0.00 H new ATOM 0 HA LYS A 102 12.987 -15.636 -21.456 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.281 -15.079 -20.924 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.277 -15.121 -19.489 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.279 -17.329 -18.869 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.303 -17.252 -20.289 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.253 -15.068 -19.441 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.283 -15.237 -17.992 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.365 -17.298 -18.842 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.733 -15.947 -17.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.237 -17.937 -16.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.060 -16.750 -16.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.704 -18.059 -17.241 1.00 0.00 H new ATOM 1630 N GLN A 103 13.183 -17.228 -23.350 1.00 0.00 N ATOM 1631 CA GLN A 103 13.439 -17.960 -24.620 1.00 0.00 C ATOM 1632 C GLN A 103 14.153 -17.064 -25.677 1.00 0.00 C ATOM 1633 O GLN A 103 13.547 -16.591 -26.645 1.00 0.00 O ATOM 1634 CB GLN A 103 12.076 -18.537 -25.086 1.00 0.00 C ATOM 1635 CG GLN A 103 12.196 -19.544 -26.252 1.00 0.00 C ATOM 1636 CD GLN A 103 10.856 -20.089 -26.725 1.00 0.00 C ATOM 1637 OE1 GLN A 103 10.390 -21.134 -26.287 1.00 0.00 O ATOM 1638 NE2 GLN A 103 10.195 -19.417 -27.637 1.00 0.00 N ATOM 0 H GLN A 103 12.271 -16.772 -23.313 1.00 0.00 H new ATOM 0 HA GLN A 103 14.140 -18.782 -24.472 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.591 -19.027 -24.242 1.00 0.00 H new ATOM 0 HB3 GLN A 103 11.429 -17.715 -25.392 1.00 0.00 H new ATOM 0 HG2 GLN A 103 12.698 -19.060 -27.089 1.00 0.00 H new ATOM 0 HG3 GLN A 103 12.827 -20.376 -25.940 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.577 -18.546 -28.006 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.299 -19.765 -27.977 1.00 0.00 H new ATOM 1647 N PHE A 104 15.467 -16.871 -25.491 1.00 0.00 N ATOM 1648 CA PHE A 104 16.342 -16.263 -26.517 1.00 0.00 C ATOM 1649 C PHE A 104 17.791 -16.806 -26.343 1.00 0.00 C ATOM 1650 O PHE A 104 18.650 -16.183 -25.714 1.00 0.00 O ATOM 1651 CB PHE A 104 16.255 -14.715 -26.526 1.00 0.00 C ATOM 1652 CG PHE A 104 16.741 -14.104 -27.860 1.00 0.00 C ATOM 1653 CD1 PHE A 104 18.106 -13.866 -28.098 1.00 0.00 C ATOM 1654 CD2 PHE A 104 15.823 -13.808 -28.880 1.00 0.00 C ATOM 1655 CE1 PHE A 104 18.540 -13.361 -29.325 1.00 0.00 C ATOM 1656 CE2 PHE A 104 16.257 -13.290 -30.103 1.00 0.00 C ATOM 1657 CZ PHE A 104 17.615 -13.075 -30.326 1.00 0.00 C ATOM 0 H PHE A 104 15.955 -17.128 -24.633 1.00 0.00 H new ATOM 0 HA PHE A 104 15.992 -16.558 -27.506 1.00 0.00 H new ATOM 0 HB2 PHE A 104 15.224 -14.411 -26.345 1.00 0.00 H new ATOM 0 HB3 PHE A 104 16.854 -14.316 -25.707 1.00 0.00 H new ATOM 0 HD1 PHE A 104 18.827 -14.076 -27.322 1.00 0.00 H new ATOM 0 HD2 PHE A 104 14.770 -13.983 -28.718 1.00 0.00 H new ATOM 0 HE1 PHE A 104 19.593 -13.192 -29.498 1.00 0.00 H new ATOM 0 HE2 PHE A 104 15.539 -13.056 -30.876 1.00 0.00 H new ATOM 0 HZ PHE A 104 17.951 -12.686 -31.276 1.00 0.00 H new ATOM 1667 N GLY A 105 18.057 -17.949 -26.984 1.00 0.00 N ATOM 1668 CA GLY A 105 19.425 -18.288 -27.449 1.00 0.00 C ATOM 1669 C GLY A 105 19.793 -17.543 -28.747 1.00 0.00 C ATOM 1670 O GLY A 105 20.543 -16.566 -28.715 1.00 0.00 O ATOM 0 H GLY A 105 17.354 -18.657 -27.196 1.00 0.00 H new ATOM 0 HA2 GLY A 105 20.145 -18.038 -26.670 1.00 0.00 H new ATOM 0 HA3 GLY A 105 19.496 -19.363 -27.615 1.00 0.00 H new ATOM 1674 N ARG A 106 19.196 -17.966 -29.868 1.00 0.00 N ATOM 1675 CA ARG A 106 19.003 -17.067 -31.043 1.00 0.00 C ATOM 1676 C ARG A 106 17.587 -17.336 -31.635 1.00 0.00 C ATOM 1677 O ARG A 106 17.435 -18.029 -32.645 1.00 0.00 O ATOM 1678 CB ARG A 106 20.179 -17.274 -32.027 1.00 0.00 C ATOM 1679 CG ARG A 106 20.217 -16.249 -33.177 1.00 0.00 C ATOM 1680 CD ARG A 106 21.416 -16.409 -34.126 1.00 0.00 C ATOM 1681 NE ARG A 106 22.687 -15.916 -33.531 1.00 0.00 N ATOM 1682 CZ ARG A 106 23.661 -16.672 -33.028 1.00 0.00 C ATOM 1683 NH1 ARG A 106 23.615 -17.979 -32.968 1.00 0.00 N ATOM 1684 NH2 ARG A 106 24.720 -16.078 -32.561 1.00 0.00 N ATOM 0 H ARG A 106 18.837 -18.912 -29.999 1.00 0.00 H new ATOM 0 HA ARG A 106 19.026 -16.010 -30.777 1.00 0.00 H new ATOM 0 HB2 ARG A 106 21.117 -17.220 -31.474 1.00 0.00 H new ATOM 0 HB3 ARG A 106 20.115 -18.277 -32.449 1.00 0.00 H new ATOM 0 HG2 ARG A 106 19.297 -16.334 -33.755 1.00 0.00 H new ATOM 0 HG3 ARG A 106 20.235 -15.245 -32.753 1.00 0.00 H new ATOM 0 HD2 ARG A 106 21.527 -17.460 -34.391 1.00 0.00 H new ATOM 0 HD3 ARG A 106 21.218 -15.867 -35.050 1.00 0.00 H new ATOM 0 HE ARG A 106 22.825 -14.906 -33.506 1.00 0.00 H new ATOM 0 HH11 ARG A 106 22.797 -18.477 -33.320 1.00 0.00 H new ATOM 0 HH12 ARG A 106 24.397 -18.499 -32.570 1.00 0.00 H new ATOM 0 HH21 ARG A 106 24.787 -15.061 -32.587 1.00 0.00 H new ATOM 0 HH22 ARG A 106 25.483 -16.630 -32.169 1.00 0.00 H new ATOM 1698 N ASN A 107 16.549 -16.795 -30.978 1.00 0.00 N ATOM 1699 CA ASN A 107 15.133 -17.110 -31.311 1.00 0.00 C ATOM 1700 C ASN A 107 14.481 -15.900 -32.049 1.00 0.00 C ATOM 1701 O ASN A 107 13.813 -15.060 -31.440 1.00 0.00 O ATOM 1702 CB ASN A 107 14.363 -17.493 -30.019 1.00 0.00 C ATOM 1703 CG ASN A 107 14.796 -18.806 -29.376 1.00 0.00 C ATOM 1704 OD1 ASN A 107 15.729 -18.868 -28.581 1.00 0.00 O ATOM 1705 ND2 ASN A 107 14.147 -19.902 -29.686 1.00 0.00 N ATOM 0 H ASN A 107 16.655 -16.134 -30.209 1.00 0.00 H new ATOM 0 HA ASN A 107 15.090 -17.966 -31.985 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.485 -16.692 -29.290 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.300 -17.553 -30.252 1.00 0.00 H new ATOM 0 HD21 ASN A 107 14.419 -20.792 -29.268 1.00 0.00 H new ATOM 0 HD22 ASN A 107 13.370 -19.865 -30.345 1.00 0.00 H new ATOM 1712 N LEU A 108 14.706 -15.818 -33.369 1.00 0.00 N ATOM 1713 CA LEU A 108 14.239 -14.679 -34.204 1.00 0.00 C ATOM 1714 C LEU A 108 13.771 -15.233 -35.579 1.00 0.00 C ATOM 1715 O LEU A 108 14.592 -15.575 -36.434 1.00 0.00 O ATOM 1716 CB LEU A 108 15.388 -13.645 -34.297 1.00 0.00 C ATOM 1717 CG LEU A 108 15.096 -12.226 -34.827 1.00 0.00 C ATOM 1718 CD1 LEU A 108 14.784 -12.165 -36.323 1.00 0.00 C ATOM 1719 CD2 LEU A 108 14.020 -11.487 -34.026 1.00 0.00 C ATOM 0 H LEU A 108 15.213 -16.530 -33.894 1.00 0.00 H new ATOM 0 HA LEU A 108 13.383 -14.164 -33.769 1.00 0.00 H new ATOM 0 HB2 LEU A 108 15.813 -13.539 -33.299 1.00 0.00 H new ATOM 0 HB3 LEU A 108 16.164 -14.076 -34.930 1.00 0.00 H new ATOM 0 HG LEU A 108 16.041 -11.703 -34.680 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.591 -11.132 -36.613 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.634 -12.547 -36.888 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.904 -12.772 -36.536 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.865 -10.496 -34.453 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.087 -12.049 -34.065 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.341 -11.389 -32.989 1.00 0.00 H new ATOM 1731 N ALA A 109 12.449 -15.297 -35.779 1.00 0.00 N ATOM 1732 CA ALA A 109 11.836 -15.571 -37.092 1.00 0.00 C ATOM 1733 C ALA A 109 11.072 -14.306 -37.581 1.00 0.00 C ATOM 1734 O ALA A 109 10.269 -13.700 -36.862 1.00 0.00 O ATOM 1735 CB ALA A 109 10.883 -16.761 -36.928 1.00 0.00 C ATOM 0 H ALA A 109 11.767 -15.160 -35.033 1.00 0.00 H new ATOM 0 HA ALA A 109 12.595 -15.813 -37.836 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.414 -16.986 -37.886 1.00 0.00 H new ATOM 0 HB2 ALA A 109 11.443 -17.631 -36.584 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.113 -16.513 -36.197 1.00 0.00 H new ATOM 1741 N ARG A 110 11.365 -13.938 -38.824 1.00 0.00 N ATOM 1742 CA ARG A 110 10.637 -12.855 -39.548 1.00 0.00 C ATOM 1743 C ARG A 110 10.428 -13.325 -41.027 1.00 0.00 C ATOM 1744 O ARG A 110 11.151 -12.921 -41.943 1.00 0.00 O ATOM 1745 CB ARG A 110 11.411 -11.511 -39.469 1.00 0.00 C ATOM 1746 CG ARG A 110 11.373 -10.837 -38.082 1.00 0.00 C ATOM 1747 CD ARG A 110 12.180 -9.532 -38.058 1.00 0.00 C ATOM 1748 NE ARG A 110 12.124 -8.962 -36.688 1.00 0.00 N ATOM 1749 CZ ARG A 110 12.780 -7.880 -36.279 1.00 0.00 C ATOM 1750 NH1 ARG A 110 13.569 -7.174 -37.049 1.00 0.00 N ATOM 1751 NH2 ARG A 110 12.628 -7.500 -35.045 1.00 0.00 N ATOM 0 H ARG A 110 12.109 -14.369 -39.373 1.00 0.00 H new ATOM 0 HA ARG A 110 9.668 -12.673 -39.084 1.00 0.00 H new ATOM 0 HB2 ARG A 110 12.450 -11.687 -39.746 1.00 0.00 H new ATOM 0 HB3 ARG A 110 10.997 -10.823 -40.206 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.339 -10.629 -37.807 1.00 0.00 H new ATOM 0 HG3 ARG A 110 11.770 -11.523 -37.334 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.214 -9.722 -38.346 1.00 0.00 H new ATOM 0 HD3 ARG A 110 11.773 -8.823 -38.779 1.00 0.00 H new ATOM 0 HE ARG A 110 11.535 -9.439 -36.006 1.00 0.00 H new ATOM 0 HH11 ARG A 110 13.708 -7.445 -38.022 1.00 0.00 H new ATOM 0 HH12 ARG A 110 14.045 -6.353 -36.675 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.019 -8.028 -34.420 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.118 -6.674 -34.702 1.00 0.00 H new ATOM 1765 N ASP A 111 9.459 -14.234 -41.215 1.00 0.00 N ATOM 1766 CA ASP A 111 9.502 -15.202 -42.334 1.00 0.00 C ATOM 1767 C ASP A 111 8.146 -15.302 -43.109 1.00 0.00 C ATOM 1768 O ASP A 111 7.048 -15.172 -42.560 1.00 0.00 O ATOM 1769 CB ASP A 111 9.861 -16.607 -41.772 1.00 0.00 C ATOM 1770 CG ASP A 111 11.323 -16.802 -41.390 1.00 0.00 C ATOM 1771 OD1 ASP A 111 11.736 -16.357 -40.295 1.00 0.00 O ATOM 1772 OD2 ASP A 111 12.065 -17.417 -42.186 1.00 0.00 O ATOM 0 H ASP A 111 8.640 -14.323 -40.614 1.00 0.00 H new ATOM 0 HA ASP A 111 10.254 -14.847 -43.038 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.245 -16.797 -40.893 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.594 -17.357 -42.517 1.00 0.00 H new ATOM 1777 N LYS A 112 8.275 -15.651 -44.396 1.00 0.00 N ATOM 1778 CA LYS A 112 7.162 -16.251 -45.186 1.00 0.00 C ATOM 1779 C LYS A 112 7.705 -17.561 -45.844 1.00 0.00 C ATOM 1780 O LYS A 112 8.018 -17.607 -47.037 1.00 0.00 O ATOM 1781 CB LYS A 112 6.649 -15.176 -46.171 1.00 0.00 C ATOM 1782 CG LYS A 112 5.357 -15.567 -46.917 1.00 0.00 C ATOM 1783 CD LYS A 112 4.873 -14.417 -47.825 1.00 0.00 C ATOM 1784 CE LYS A 112 3.578 -14.781 -48.567 1.00 0.00 C ATOM 1785 NZ LYS A 112 3.150 -13.634 -49.417 1.00 0.00 N ATOM 0 H LYS A 112 9.139 -15.532 -44.925 1.00 0.00 H new ATOM 0 HA LYS A 112 6.300 -16.545 -44.588 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.472 -14.251 -45.622 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.429 -14.968 -46.903 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.535 -16.459 -47.518 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.579 -15.818 -46.196 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.708 -13.524 -47.223 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.651 -14.174 -48.549 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.737 -15.665 -49.185 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.794 -15.029 -47.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.273 -13.882 -49.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.982 -12.801 -48.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.896 -13.418 -50.109 1.00 0.00 H new ATOM 1799 N LYS A 113 7.876 -18.603 -45.014 1.00 0.00 N ATOM 1800 CA LYS A 113 8.784 -19.738 -45.327 1.00 0.00 C ATOM 1801 C LYS A 113 8.029 -21.090 -45.282 1.00 0.00 C ATOM 1802 O LYS A 113 7.740 -21.620 -44.206 1.00 0.00 O ATOM 1803 CB LYS A 113 9.941 -19.648 -44.292 1.00 0.00 C ATOM 1804 CG LYS A 113 11.043 -20.725 -44.402 1.00 0.00 C ATOM 1805 CD LYS A 113 12.153 -20.435 -43.372 1.00 0.00 C ATOM 1806 CE LYS A 113 13.177 -21.559 -43.158 1.00 0.00 C ATOM 1807 NZ LYS A 113 14.059 -21.756 -44.342 1.00 0.00 N ATOM 0 H LYS A 113 7.399 -18.690 -44.116 1.00 0.00 H new ATOM 0 HA LYS A 113 9.180 -19.680 -46.341 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.409 -18.668 -44.387 1.00 0.00 H new ATOM 0 HB3 LYS A 113 9.510 -19.700 -43.292 1.00 0.00 H new ATOM 0 HG2 LYS A 113 10.619 -21.713 -44.226 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.460 -20.732 -45.409 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.687 -19.538 -43.685 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.684 -20.210 -42.414 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.789 -21.328 -42.286 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.652 -22.489 -42.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 15.004 -22.054 -44.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 13.653 -22.488 -44.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 14.137 -20.863 -44.869 1.00 0.00 H new ATOM 1821 N LYS A 114 7.809 -21.696 -46.460 1.00 0.00 N ATOM 1822 CA LYS A 114 7.500 -23.154 -46.554 1.00 0.00 C ATOM 1823 C LYS A 114 8.754 -24.064 -46.367 1.00 0.00 C ATOM 1824 O LYS A 114 8.685 -25.020 -45.594 1.00 0.00 O ATOM 1825 CB LYS A 114 6.710 -23.401 -47.867 1.00 0.00 C ATOM 1826 CG LYS A 114 6.171 -24.839 -48.064 1.00 0.00 C ATOM 1827 CD LYS A 114 7.090 -25.725 -48.931 1.00 0.00 C ATOM 1828 CE LYS A 114 6.730 -27.217 -48.831 1.00 0.00 C ATOM 1829 NZ LYS A 114 7.653 -28.036 -49.672 1.00 0.00 N ATOM 0 H LYS A 114 7.836 -21.215 -47.359 1.00 0.00 H new ATOM 0 HA LYS A 114 6.867 -23.449 -45.717 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.868 -22.709 -47.899 1.00 0.00 H new ATOM 0 HB3 LYS A 114 7.356 -23.156 -48.710 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.042 -25.308 -47.088 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.185 -24.789 -48.526 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.021 -25.406 -49.971 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.125 -25.582 -48.621 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.790 -27.543 -47.792 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.701 -27.371 -49.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.306 -29.015 -49.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.691 -27.639 -50.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.605 -28.024 -49.254 1.00 0.00 H new ATOM 1843 N GLN A 115 9.859 -23.810 -47.096 1.00 0.00 N ATOM 1844 CA GLN A 115 11.088 -24.652 -47.034 1.00 0.00 C ATOM 1845 C GLN A 115 12.332 -23.774 -47.337 1.00 0.00 C ATOM 1846 O GLN A 115 12.943 -23.235 -46.408 1.00 0.00 O ATOM 1847 CB GLN A 115 10.844 -25.911 -47.894 1.00 0.00 C ATOM 1848 CG GLN A 115 11.933 -26.996 -47.881 1.00 0.00 C ATOM 1849 CD GLN A 115 11.524 -28.251 -48.665 1.00 0.00 C ATOM 1850 OE1 GLN A 115 10.389 -28.440 -49.106 1.00 0.00 O ATOM 1851 NE2 GLN A 115 12.442 -29.164 -48.852 1.00 0.00 N ATOM 0 H GLN A 115 9.933 -23.024 -47.742 1.00 0.00 H new ATOM 0 HA GLN A 115 11.314 -25.045 -46.043 1.00 0.00 H new ATOM 0 HB2 GLN A 115 9.910 -26.367 -47.567 1.00 0.00 H new ATOM 0 HB3 GLN A 115 10.699 -25.592 -48.926 1.00 0.00 H new ATOM 0 HG2 GLN A 115 12.851 -26.590 -48.306 1.00 0.00 H new ATOM 0 HG3 GLN A 115 12.154 -27.272 -46.850 1.00 0.00 H new ATOM 0 HE21 GLN A 115 13.385 -29.020 -48.492 1.00 0.00 H new ATOM 0 HE22 GLN A 115 12.214 -30.020 -49.358 1.00 0.00 H new ATOM 1860 N ARG A 116 12.685 -23.611 -48.618 1.00 0.00 N ATOM 1861 CA ARG A 116 13.783 -22.722 -49.065 1.00 0.00 C ATOM 1862 C ARG A 116 13.437 -22.222 -50.496 1.00 0.00 C ATOM 1863 O ARG A 116 13.559 -22.958 -51.479 1.00 0.00 O ATOM 1864 CB ARG A 116 15.149 -23.459 -48.981 1.00 0.00 C ATOM 1865 CG ARG A 116 16.390 -22.578 -49.259 1.00 0.00 C ATOM 1866 CD ARG A 116 16.909 -22.661 -50.703 1.00 0.00 C ATOM 1867 NE ARG A 116 17.909 -21.597 -50.979 1.00 0.00 N ATOM 1868 CZ ARG A 116 19.226 -21.705 -50.867 1.00 0.00 C ATOM 1869 NH1 ARG A 116 19.836 -22.761 -50.392 1.00 0.00 N ATOM 1870 NH2 ARG A 116 19.945 -20.695 -51.251 1.00 0.00 N ATOM 0 H ARG A 116 12.217 -24.093 -49.386 1.00 0.00 H new ATOM 0 HA ARG A 116 13.881 -21.854 -48.413 1.00 0.00 H new ATOM 0 HB2 ARG A 116 15.248 -23.895 -47.987 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.143 -24.285 -49.692 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.144 -21.541 -49.032 1.00 0.00 H new ATOM 0 HG3 ARG A 116 17.190 -22.872 -48.579 1.00 0.00 H new ATOM 0 HD2 ARG A 116 17.359 -23.639 -50.874 1.00 0.00 H new ATOM 0 HD3 ARG A 116 16.074 -22.568 -51.398 1.00 0.00 H new ATOM 0 HE ARG A 116 17.546 -20.694 -51.285 1.00 0.00 H new ATOM 0 HH11 ARG A 116 19.293 -23.567 -50.081 1.00 0.00 H new ATOM 0 HH12 ARG A 116 20.854 -22.778 -50.333 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.493 -19.859 -51.622 1.00 0.00 H new ATOM 0 HH22 ARG A 116 20.962 -20.737 -51.182 1.00 0.00 H new ATOM 1884 N GLY A 117 13.064 -20.941 -50.602 1.00 0.00 N ATOM 1885 CA GLY A 117 13.282 -20.160 -51.833 1.00 0.00 C ATOM 1886 C GLY A 117 14.761 -19.773 -52.052 1.00 0.00 C ATOM 1887 O GLY A 117 15.560 -19.708 -51.113 1.00 0.00 O ATOM 0 H GLY A 117 12.609 -20.420 -49.852 1.00 0.00 H new ATOM 0 HA2 GLY A 117 12.933 -20.738 -52.689 1.00 0.00 H new ATOM 0 HA3 GLY A 117 12.678 -19.254 -51.793 1.00 0.00 H new ATOM 1891 N ARG A 118 15.087 -19.557 -53.322 1.00 0.00 N ATOM 1892 CA ARG A 118 16.490 -19.483 -53.811 1.00 0.00 C ATOM 1893 C ARG A 118 17.442 -18.480 -53.089 1.00 0.00 C ATOM 1894 O ARG A 118 17.275 -17.247 -53.200 1.00 0.00 O ATOM 1895 CB ARG A 118 16.531 -19.365 -55.358 1.00 0.00 C ATOM 1896 CG ARG A 118 15.964 -18.076 -55.979 1.00 0.00 C ATOM 1897 CD ARG A 118 16.195 -17.948 -57.494 1.00 0.00 C ATOM 1898 NE ARG A 118 15.351 -18.897 -58.261 1.00 0.00 N ATOM 1899 CZ ARG A 118 15.328 -19.005 -59.586 1.00 0.00 C ATOM 1900 NH1 ARG A 118 16.044 -18.257 -60.389 1.00 0.00 N ATOM 1901 NH2 ARG A 118 14.550 -19.902 -60.117 1.00 0.00 N ATOM 1902 OXT ARG A 118 18.366 -18.954 -52.384 1.00 0.00 O ATOM 0 H ARG A 118 14.393 -19.426 -54.058 1.00 0.00 H new ATOM 0 HA ARG A 118 16.927 -20.438 -53.518 1.00 0.00 H new ATOM 0 HB2 ARG A 118 17.568 -19.466 -55.677 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.985 -20.210 -55.776 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.893 -18.032 -55.782 1.00 0.00 H new ATOM 0 HG3 ARG A 118 16.415 -17.218 -55.481 1.00 0.00 H new ATOM 0 HD2 ARG A 118 15.975 -16.928 -57.810 1.00 0.00 H new ATOM 0 HD3 ARG A 118 17.246 -18.132 -57.719 1.00 0.00 H new ATOM 0 HE ARG A 118 14.739 -19.516 -57.729 1.00 0.00 H new ATOM 0 HH11 ARG A 118 16.663 -17.543 -60.004 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.982 -18.388 -61.399 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.978 -20.499 -59.520 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.511 -20.008 -61.131 1.00 0.00 H new TER 1916 ARG A 118