USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 928 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 111 SER OG : rot 180:sc= -0.151 USER MOD Set 1.2: A 116 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 84 HIS : no HE2:sc= -0.367 K(o=-3.1,f=-4.7) USER MOD Set 2.2: A 99 MET CE :methyl 141:sc= -2.74! (180deg=-5.31!) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.0744 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 179:sc= -1.43 (180deg=-1.52) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0706 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.6) USER MOD Single : A 29 CYS SG : rot 180:sc= -1.3 USER MOD Single : A 30 HIS : no HD1:sc= -1.6! K(o=-1.6!,f=-0.49) USER MOD Single : A 32 HIS : no HD1:sc= -4.74 K(o=-4.7,f=-3.4) USER MOD Single : A 33 THR OG1 : rot -115:sc= 0.461 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0101 K(o=-0.01,f=-0.64) USER MOD Single : A 38 CYS SG : rot -120:sc= -2.32 USER MOD Single : A 42 SER OG : rot 75:sc= -1.45! USER MOD Single : A 51 GLN : amide:sc= -1.16 X(o=-1.2,f=-1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 146:sc= -2.31! USER MOD Single : A 62 LYS NZ :NH3+ -145:sc= -1.57! (180deg=-2.55!) USER MOD Single : A 65 MET CE :methyl -161:sc= -3.9! (180deg=-4.35!) USER MOD Single : A 70 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.029) USER MOD Single : A 74 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.0083) USER MOD Single : A 75 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-2!) USER MOD Single : A 76 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.7!) USER MOD Single : A 86 SER OG : rot -57:sc= 1.2 USER MOD Single : A 88 MET CE :methyl -141:sc= -1.48 (180deg=-3.15!) USER MOD Single : A 91 HIS : no HE2:sc= -6.31! C(o=-6.3!,f=-12!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -47:sc= 1.04 USER MOD Single : A 97 GLN : amide:sc= -0.045 K(o=-0.045,f=-1) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -119:sc= -0.395 (180deg=-3.07!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.429 15.564 -18.714 1.00 0.00 N ATOM 2 CA GLY A 1 -22.008 15.671 -18.432 1.00 0.00 C ATOM 3 C GLY A 1 -21.678 15.104 -17.050 1.00 0.00 C ATOM 4 O GLY A 1 -22.418 14.274 -16.523 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.565 15.192 -19.676 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.872 14.920 -18.028 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.869 16.503 -18.641 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.441 15.135 -19.193 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.701 16.716 -18.483 1.00 0.00 H new ATOM 8 N SER A 2 -20.567 15.575 -16.502 1.00 0.00 N ATOM 9 CA SER A 2 -20.131 15.125 -15.191 1.00 0.00 C ATOM 10 C SER A 2 -19.339 16.233 -14.495 1.00 0.00 C ATOM 11 O SER A 2 -19.706 16.674 -13.406 1.00 0.00 O ATOM 12 CB SER A 2 -19.285 13.855 -15.298 1.00 0.00 C ATOM 13 OG SER A 2 -18.218 14.001 -16.231 1.00 0.00 O ATOM 0 H SER A 2 -19.956 16.263 -16.942 1.00 0.00 H new ATOM 0 HA SER A 2 -21.015 14.891 -14.598 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.878 13.607 -14.318 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.919 13.021 -15.600 1.00 0.00 H new ATOM 0 HG SER A 2 -17.701 13.170 -16.269 1.00 0.00 H new ATOM 19 N SER A 3 -18.266 16.652 -15.150 1.00 0.00 N ATOM 20 CA SER A 3 -17.419 17.700 -14.608 1.00 0.00 C ATOM 21 C SER A 3 -17.086 17.399 -13.145 1.00 0.00 C ATOM 22 O SER A 3 -17.747 17.902 -12.238 1.00 0.00 O ATOM 23 CB SER A 3 -18.092 19.069 -14.727 1.00 0.00 C ATOM 24 OG SER A 3 -17.143 20.117 -14.910 1.00 0.00 O ATOM 0 H SER A 3 -17.964 16.284 -16.052 1.00 0.00 H new ATOM 0 HA SER A 3 -16.496 17.727 -15.187 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.788 19.059 -15.566 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.679 19.264 -13.829 1.00 0.00 H new ATOM 0 HG SER A 3 -17.612 20.974 -14.983 1.00 0.00 H new ATOM 30 N GLY A 4 -16.061 16.580 -12.962 1.00 0.00 N ATOM 31 CA GLY A 4 -15.631 16.206 -11.625 1.00 0.00 C ATOM 32 C GLY A 4 -15.341 17.445 -10.776 1.00 0.00 C ATOM 33 O GLY A 4 -16.202 17.903 -10.026 1.00 0.00 O ATOM 0 H GLY A 4 -15.515 16.165 -13.717 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.404 15.605 -11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.737 15.586 -11.687 1.00 0.00 H new ATOM 37 N SER A 5 -14.126 17.951 -10.922 1.00 0.00 N ATOM 38 CA SER A 5 -13.711 19.128 -10.177 1.00 0.00 C ATOM 39 C SER A 5 -13.835 18.867 -8.674 1.00 0.00 C ATOM 40 O SER A 5 -14.860 19.175 -8.069 1.00 0.00 O ATOM 41 CB SER A 5 -14.541 20.351 -10.573 1.00 0.00 C ATOM 42 OG SER A 5 -13.808 21.248 -11.403 1.00 0.00 O ATOM 0 H SER A 5 -13.415 17.568 -11.545 1.00 0.00 H new ATOM 0 HA SER A 5 -12.669 19.336 -10.419 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.440 20.025 -11.097 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.868 20.874 -9.674 1.00 0.00 H new ATOM 0 HG SER A 5 -14.373 22.014 -11.635 1.00 0.00 H new ATOM 48 N SER A 6 -12.774 18.302 -8.116 1.00 0.00 N ATOM 49 CA SER A 6 -12.751 17.996 -6.695 1.00 0.00 C ATOM 50 C SER A 6 -11.354 18.255 -6.127 1.00 0.00 C ATOM 51 O SER A 6 -10.354 17.857 -6.723 1.00 0.00 O ATOM 52 CB SER A 6 -13.169 16.547 -6.437 1.00 0.00 C ATOM 53 OG SER A 6 -12.226 15.617 -6.964 1.00 0.00 O ATOM 0 H SER A 6 -11.925 18.048 -8.621 1.00 0.00 H new ATOM 0 HA SER A 6 -13.467 18.647 -6.193 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.276 16.386 -5.364 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.146 16.366 -6.885 1.00 0.00 H new ATOM 0 HG SER A 6 -12.528 14.704 -6.777 1.00 0.00 H new ATOM 59 N GLY A 7 -11.330 18.920 -4.981 1.00 0.00 N ATOM 60 CA GLY A 7 -10.072 19.236 -4.326 1.00 0.00 C ATOM 61 C GLY A 7 -10.228 19.222 -2.804 1.00 0.00 C ATOM 62 O GLY A 7 -11.309 19.496 -2.285 1.00 0.00 O ATOM 0 H GLY A 7 -12.161 19.248 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.311 18.514 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.725 20.217 -4.651 1.00 0.00 H new ATOM 66 N VAL A 8 -9.133 18.899 -2.132 1.00 0.00 N ATOM 67 CA VAL A 8 -9.134 18.845 -0.680 1.00 0.00 C ATOM 68 C VAL A 8 -7.718 19.106 -0.163 1.00 0.00 C ATOM 69 O VAL A 8 -6.771 18.437 -0.573 1.00 0.00 O ATOM 70 CB VAL A 8 -9.707 17.508 -0.207 1.00 0.00 C ATOM 71 CG1 VAL A 8 -8.993 16.336 -0.882 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.636 17.390 1.317 1.00 0.00 C ATOM 0 H VAL A 8 -8.239 18.672 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.778 19.623 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.757 17.472 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.420 15.397 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.118 16.407 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.931 16.367 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.050 16.430 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.597 17.459 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.211 18.197 1.772 1.00 0.00 H new ATOM 82 N ILE A 9 -7.618 20.080 0.730 1.00 0.00 N ATOM 83 CA ILE A 9 -6.334 20.437 1.307 1.00 0.00 C ATOM 84 C ILE A 9 -6.480 20.567 2.824 1.00 0.00 C ATOM 85 O ILE A 9 -6.624 21.672 3.345 1.00 0.00 O ATOM 86 CB ILE A 9 -5.774 21.691 0.633 1.00 0.00 C ATOM 87 CG1 ILE A 9 -5.564 21.462 -0.865 1.00 0.00 C ATOM 88 CG2 ILE A 9 -4.493 22.160 1.326 1.00 0.00 C ATOM 89 CD1 ILE A 9 -5.507 22.791 -1.621 1.00 0.00 C ATOM 0 H ILE A 9 -8.406 20.633 1.068 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.602 19.651 1.123 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.508 22.490 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.639 20.908 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.375 20.850 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.116 23.053 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.707 22.390 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.742 21.371 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.357 22.599 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.443 23.331 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.680 23.391 -1.240 1.00 0.00 H new ATOM 101 N GLU A 10 -6.437 19.423 3.491 1.00 0.00 N ATOM 102 CA GLU A 10 -6.563 19.395 4.938 1.00 0.00 C ATOM 103 C GLU A 10 -5.665 18.306 5.528 1.00 0.00 C ATOM 104 O GLU A 10 -5.235 17.399 4.818 1.00 0.00 O ATOM 105 CB GLU A 10 -8.020 19.192 5.358 1.00 0.00 C ATOM 106 CG GLU A 10 -8.610 20.482 5.932 1.00 0.00 C ATOM 107 CD GLU A 10 -10.078 20.289 6.319 1.00 0.00 C ATOM 108 OE1 GLU A 10 -10.874 20.002 5.398 1.00 0.00 O ATOM 109 OE2 GLU A 10 -10.371 20.432 7.525 1.00 0.00 O ATOM 0 H GLU A 10 -6.317 18.508 3.056 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.238 20.359 5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.608 18.870 4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.080 18.398 6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.037 20.790 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.526 21.283 5.197 1.00 0.00 H new ATOM 116 N SER A 11 -5.409 18.431 6.822 1.00 0.00 N ATOM 117 CA SER A 11 -4.571 17.469 7.516 1.00 0.00 C ATOM 118 C SER A 11 -5.395 16.238 7.901 1.00 0.00 C ATOM 119 O SER A 11 -6.378 16.349 8.631 1.00 0.00 O ATOM 120 CB SER A 11 -3.932 18.090 8.760 1.00 0.00 C ATOM 121 OG SER A 11 -2.647 18.639 8.482 1.00 0.00 O ATOM 0 H SER A 11 -5.768 19.185 7.408 1.00 0.00 H new ATOM 0 HA SER A 11 -3.770 17.166 6.842 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.584 18.872 9.150 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.842 17.332 9.538 1.00 0.00 H new ATOM 0 HG SER A 11 -2.273 19.027 9.300 1.00 0.00 H new ATOM 127 N GLU A 12 -4.963 15.094 7.392 1.00 0.00 N ATOM 128 CA GLU A 12 -5.649 13.844 7.673 1.00 0.00 C ATOM 129 C GLU A 12 -4.713 12.658 7.426 1.00 0.00 C ATOM 130 O GLU A 12 -3.718 12.786 6.715 1.00 0.00 O ATOM 131 CB GLU A 12 -6.924 13.718 6.838 1.00 0.00 C ATOM 132 CG GLU A 12 -8.162 14.051 7.674 1.00 0.00 C ATOM 133 CD GLU A 12 -9.443 13.843 6.864 1.00 0.00 C ATOM 134 OE1 GLU A 12 -9.846 12.667 6.732 1.00 0.00 O ATOM 135 OE2 GLU A 12 -9.990 14.864 6.394 1.00 0.00 O ATOM 0 H GLU A 12 -4.147 15.006 6.787 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.940 13.840 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.869 14.388 5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.007 12.704 6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.184 13.422 8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.107 15.085 8.016 1.00 0.00 H new ATOM 142 N THR A 13 -5.066 11.532 8.028 1.00 0.00 N ATOM 143 CA THR A 13 -4.271 10.325 7.883 1.00 0.00 C ATOM 144 C THR A 13 -2.838 10.570 8.360 1.00 0.00 C ATOM 145 O THR A 13 -2.375 11.709 8.388 1.00 0.00 O ATOM 146 CB THR A 13 -4.357 9.875 6.423 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.722 10.088 6.074 1.00 0.00 O ATOM 148 CG2 THR A 13 -4.162 8.365 6.263 1.00 0.00 C ATOM 0 H THR A 13 -5.892 11.430 8.617 1.00 0.00 H new ATOM 0 HA THR A 13 -4.656 9.520 8.509 1.00 0.00 H new ATOM 0 HB THR A 13 -3.605 10.402 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.866 9.824 5.141 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.232 8.099 5.208 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.181 8.083 6.644 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.934 7.837 6.823 1.00 0.00 H new ATOM 156 N LEU A 14 -2.175 9.481 8.723 1.00 0.00 N ATOM 157 CA LEU A 14 -0.804 9.564 9.198 1.00 0.00 C ATOM 158 C LEU A 14 0.022 8.450 8.552 1.00 0.00 C ATOM 159 O LEU A 14 -0.498 7.373 8.266 1.00 0.00 O ATOM 160 CB LEU A 14 -0.765 9.550 10.727 1.00 0.00 C ATOM 161 CG LEU A 14 -1.793 10.437 11.433 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.270 9.793 12.736 1.00 0.00 C ATOM 163 CD2 LEU A 14 -1.240 11.846 11.657 1.00 0.00 C ATOM 0 H LEU A 14 -2.562 8.537 8.698 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.354 10.511 8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.907 8.524 11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.231 9.856 11.048 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.664 10.533 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.000 10.444 13.218 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.731 8.830 12.518 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.420 9.646 13.402 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.990 12.456 12.160 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.343 11.791 12.275 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.992 12.296 10.696 1.00 0.00 H new ATOM 175 N ILE A 15 1.296 8.748 8.341 1.00 0.00 N ATOM 176 CA ILE A 15 2.199 7.786 7.734 1.00 0.00 C ATOM 177 C ILE A 15 2.204 6.502 8.566 1.00 0.00 C ATOM 178 O ILE A 15 2.149 5.402 8.018 1.00 0.00 O ATOM 179 CB ILE A 15 3.587 8.400 7.542 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.515 7.439 6.796 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.180 8.844 8.881 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.871 8.090 6.518 1.00 0.00 C ATOM 0 H ILE A 15 1.724 9.643 8.580 1.00 0.00 H new ATOM 0 HA ILE A 15 1.854 7.518 6.735 1.00 0.00 H new ATOM 0 HB ILE A 15 3.482 9.291 6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.657 6.533 7.386 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.053 7.138 5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.167 9.277 8.716 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.529 9.589 9.338 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.268 7.983 9.544 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.511 7.385 5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.728 8.982 5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.342 8.368 7.461 1.00 0.00 H new ATOM 194 N GLU A 16 2.271 6.685 9.877 1.00 0.00 N ATOM 195 CA GLU A 16 2.285 5.555 10.790 1.00 0.00 C ATOM 196 C GLU A 16 0.910 4.884 10.824 1.00 0.00 C ATOM 197 O GLU A 16 0.748 3.823 11.425 1.00 0.00 O ATOM 198 CB GLU A 16 2.717 5.989 12.192 1.00 0.00 C ATOM 199 CG GLU A 16 4.217 6.289 12.235 1.00 0.00 C ATOM 200 CD GLU A 16 4.982 5.163 12.934 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.842 4.010 12.472 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.690 5.481 13.914 1.00 0.00 O ATOM 0 H GLU A 16 2.316 7.599 10.328 1.00 0.00 H new ATOM 0 HA GLU A 16 3.014 4.829 10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.157 6.875 12.491 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.479 5.204 12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.595 6.415 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.388 7.230 12.759 1.00 0.00 H new ATOM 209 N ASP A 17 -0.045 5.529 10.170 1.00 0.00 N ATOM 210 CA ASP A 17 -1.400 5.008 10.117 1.00 0.00 C ATOM 211 C ASP A 17 -1.553 4.122 8.880 1.00 0.00 C ATOM 212 O ASP A 17 -2.311 3.153 8.895 1.00 0.00 O ATOM 213 CB ASP A 17 -2.423 6.141 10.017 1.00 0.00 C ATOM 214 CG ASP A 17 -3.451 6.187 11.148 1.00 0.00 C ATOM 215 OD1 ASP A 17 -3.234 5.460 12.142 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.431 6.947 10.994 1.00 0.00 O ATOM 0 H ASP A 17 0.093 6.408 9.672 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.579 4.441 11.031 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.889 7.091 9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.953 6.049 9.069 1.00 0.00 H new ATOM 221 N VAL A 18 -0.821 4.485 7.837 1.00 0.00 N ATOM 222 CA VAL A 18 -0.866 3.735 6.593 1.00 0.00 C ATOM 223 C VAL A 18 0.246 2.683 6.597 1.00 0.00 C ATOM 224 O VAL A 18 0.200 1.723 5.829 1.00 0.00 O ATOM 225 CB VAL A 18 -0.780 4.691 5.402 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.943 3.937 4.081 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.814 5.812 5.524 1.00 0.00 C ATOM 0 H VAL A 18 -0.193 5.289 7.828 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.814 3.206 6.500 1.00 0.00 H new ATOM 0 HB VAL A 18 0.211 5.146 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.878 4.640 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.154 3.191 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.914 3.442 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.732 6.478 4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.815 5.382 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.633 6.376 6.439 1.00 0.00 H new ATOM 237 N LEU A 19 1.219 2.899 7.470 1.00 0.00 N ATOM 238 CA LEU A 19 2.340 1.982 7.583 1.00 0.00 C ATOM 239 C LEU A 19 2.018 0.918 8.635 1.00 0.00 C ATOM 240 O LEU A 19 2.349 -0.254 8.459 1.00 0.00 O ATOM 241 CB LEU A 19 3.634 2.750 7.860 1.00 0.00 C ATOM 242 CG LEU A 19 4.334 3.348 6.639 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.346 2.364 6.049 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.314 3.815 5.597 1.00 0.00 C ATOM 0 H LEU A 19 1.254 3.696 8.106 1.00 0.00 H new ATOM 0 HA LEU A 19 2.503 1.460 6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.412 3.557 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.331 2.079 8.361 1.00 0.00 H new ATOM 0 HG LEU A 19 4.892 4.227 6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.829 2.815 5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.099 2.123 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.832 1.452 5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.837 4.236 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.710 2.967 5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.667 4.575 6.036 1.00 0.00 H new ATOM 256 N ARG A 20 1.378 1.365 9.705 1.00 0.00 N ATOM 257 CA ARG A 20 1.008 0.466 10.785 1.00 0.00 C ATOM 258 C ARG A 20 0.507 -0.865 10.220 1.00 0.00 C ATOM 259 O ARG A 20 0.983 -1.929 10.614 1.00 0.00 O ATOM 260 CB ARG A 20 -0.081 1.081 11.666 1.00 0.00 C ATOM 261 CG ARG A 20 0.466 1.435 13.050 1.00 0.00 C ATOM 262 CD ARG A 20 0.881 0.175 13.814 1.00 0.00 C ATOM 263 NE ARG A 20 0.667 0.371 15.265 1.00 0.00 N ATOM 264 CZ ARG A 20 1.215 -0.400 16.215 1.00 0.00 C ATOM 265 NH1 ARG A 20 2.011 -1.421 15.873 1.00 0.00 N ATOM 266 NH2 ARG A 20 0.965 -0.148 17.508 1.00 0.00 N ATOM 0 H ARG A 20 1.106 2.338 9.847 1.00 0.00 H new ATOM 0 HA ARG A 20 1.897 0.295 11.393 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.477 1.977 11.188 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.910 0.381 11.767 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.323 2.101 12.947 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.292 1.976 13.617 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.302 -0.680 13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.930 -0.050 13.620 1.00 0.00 H new ATOM 0 HE ARG A 20 0.066 1.140 15.561 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.201 -1.612 14.889 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.428 -2.007 16.596 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.358 0.630 17.768 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.381 -0.734 18.232 1.00 0.00 H new ATOM 280 N PRO A 21 -0.471 -0.759 9.282 1.00 0.00 N ATOM 281 CA PRO A 21 -1.042 -1.941 8.659 1.00 0.00 C ATOM 282 C PRO A 21 -0.077 -2.541 7.634 1.00 0.00 C ATOM 283 O PRO A 21 0.309 -3.703 7.746 1.00 0.00 O ATOM 284 CB PRO A 21 -2.347 -1.468 8.040 1.00 0.00 C ATOM 285 CG PRO A 21 -2.235 0.044 7.936 1.00 0.00 C ATOM 286 CD PRO A 21 -1.059 0.484 8.791 1.00 0.00 C ATOM 0 HA PRO A 21 -1.223 -2.746 9.371 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.499 -1.917 7.058 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.199 -1.755 8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.087 0.345 6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.154 0.519 8.278 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.339 1.059 8.208 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.384 1.120 9.614 1.00 0.00 H new ATOM 294 N LEU A 22 0.285 -1.720 6.659 1.00 0.00 N ATOM 295 CA LEU A 22 1.198 -2.155 5.615 1.00 0.00 C ATOM 296 C LEU A 22 2.362 -2.920 6.248 1.00 0.00 C ATOM 297 O LEU A 22 2.896 -3.852 5.649 1.00 0.00 O ATOM 298 CB LEU A 22 1.636 -0.966 4.758 1.00 0.00 C ATOM 299 CG LEU A 22 0.739 -0.632 3.565 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.060 0.756 3.009 1.00 0.00 C ATOM 301 CD2 LEU A 22 0.831 -1.716 2.489 1.00 0.00 C ATOM 0 H LEU A 22 -0.037 -0.756 6.570 1.00 0.00 H new ATOM 0 HA LEU A 22 0.698 -2.843 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.698 -0.086 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.642 -1.162 4.387 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.294 -0.609 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.408 0.968 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.901 1.505 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.100 0.786 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.184 -1.454 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.861 -1.796 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.514 -2.672 2.907 1.00 0.00 H new ATOM 313 N GLU A 23 2.722 -2.498 7.451 1.00 0.00 N ATOM 314 CA GLU A 23 3.813 -3.131 8.172 1.00 0.00 C ATOM 315 C GLU A 23 3.320 -4.396 8.877 1.00 0.00 C ATOM 316 O GLU A 23 3.990 -5.427 8.851 1.00 0.00 O ATOM 317 CB GLU A 23 4.448 -2.160 9.169 1.00 0.00 C ATOM 318 CG GLU A 23 5.430 -1.219 8.468 1.00 0.00 C ATOM 319 CD GLU A 23 6.361 -0.546 9.479 1.00 0.00 C ATOM 320 OE1 GLU A 23 6.749 -1.240 10.442 1.00 0.00 O ATOM 321 OE2 GLU A 23 6.662 0.648 9.265 1.00 0.00 O ATOM 0 H GLU A 23 2.277 -1.725 7.945 1.00 0.00 H new ATOM 0 HA GLU A 23 4.581 -3.415 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.669 -1.578 9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.967 -2.720 9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.020 -1.778 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.879 -0.459 7.914 1.00 0.00 H new ATOM 328 N GLN A 24 2.151 -4.276 9.489 1.00 0.00 N ATOM 329 CA GLN A 24 1.560 -5.398 10.200 1.00 0.00 C ATOM 330 C GLN A 24 1.426 -6.605 9.270 1.00 0.00 C ATOM 331 O GLN A 24 1.438 -7.748 9.724 1.00 0.00 O ATOM 332 CB GLN A 24 0.206 -5.015 10.799 1.00 0.00 C ATOM 333 CG GLN A 24 -0.939 -5.414 9.866 1.00 0.00 C ATOM 334 CD GLN A 24 -1.436 -6.827 10.181 1.00 0.00 C ATOM 335 OE1 GLN A 24 -0.857 -7.554 10.972 1.00 0.00 O ATOM 336 NE2 GLN A 24 -2.537 -7.174 9.521 1.00 0.00 N ATOM 0 H GLN A 24 1.597 -3.420 9.507 1.00 0.00 H new ATOM 0 HA GLN A 24 2.221 -5.670 11.023 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.080 -5.504 11.765 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.175 -3.941 10.980 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.760 -4.705 9.968 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.603 -5.365 8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.972 -6.517 8.873 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.947 -8.097 9.663 1.00 0.00 H new ATOM 345 N ALA A 25 1.303 -6.310 7.984 1.00 0.00 N ATOM 346 CA ALA A 25 1.167 -7.357 6.985 1.00 0.00 C ATOM 347 C ALA A 25 2.517 -8.052 6.795 1.00 0.00 C ATOM 348 O ALA A 25 2.617 -9.270 6.939 1.00 0.00 O ATOM 349 CB ALA A 25 0.633 -6.755 5.684 1.00 0.00 C ATOM 0 H ALA A 25 1.295 -5.361 7.611 1.00 0.00 H new ATOM 0 HA ALA A 25 0.451 -8.111 7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.531 -7.540 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.340 -6.299 5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.327 -5.996 5.322 1.00 0.00 H new ATOM 355 N LEU A 26 3.521 -7.249 6.476 1.00 0.00 N ATOM 356 CA LEU A 26 4.860 -7.772 6.265 1.00 0.00 C ATOM 357 C LEU A 26 5.152 -8.850 7.310 1.00 0.00 C ATOM 358 O LEU A 26 5.299 -10.024 6.973 1.00 0.00 O ATOM 359 CB LEU A 26 5.883 -6.635 6.251 1.00 0.00 C ATOM 360 CG LEU A 26 7.306 -7.018 5.839 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.361 -7.412 4.361 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.293 -5.898 6.171 1.00 0.00 C ATOM 0 H LEU A 26 3.434 -6.240 6.358 1.00 0.00 H new ATOM 0 HA LEU A 26 4.934 -8.248 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.526 -5.860 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.921 -6.194 7.247 1.00 0.00 H new ATOM 0 HG LEU A 26 7.606 -7.892 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.383 -7.680 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.705 -8.265 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.034 -6.572 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.297 -6.196 5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.007 -4.991 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.280 -5.707 7.244 1.00 0.00 H new ATOM 374 N GLU A 27 5.227 -8.413 8.559 1.00 0.00 N ATOM 375 CA GLU A 27 5.500 -9.326 9.656 1.00 0.00 C ATOM 376 C GLU A 27 4.752 -10.645 9.447 1.00 0.00 C ATOM 377 O GLU A 27 5.311 -11.720 9.658 1.00 0.00 O ATOM 378 CB GLU A 27 5.132 -8.694 11.000 1.00 0.00 C ATOM 379 CG GLU A 27 6.290 -7.858 11.548 1.00 0.00 C ATOM 380 CD GLU A 27 5.998 -7.386 12.974 1.00 0.00 C ATOM 381 OE1 GLU A 27 5.912 -8.267 13.857 1.00 0.00 O ATOM 382 OE2 GLU A 27 5.869 -6.155 13.149 1.00 0.00 O ATOM 0 H GLU A 27 5.103 -7.439 8.835 1.00 0.00 H new ATOM 0 HA GLU A 27 6.570 -9.536 9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.249 -8.065 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.873 -9.475 11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.206 -8.448 11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.458 -6.996 10.903 1.00 0.00 H new ATOM 389 N ASP A 28 3.499 -10.519 9.035 1.00 0.00 N ATOM 390 CA ASP A 28 2.669 -11.687 8.796 1.00 0.00 C ATOM 391 C ASP A 28 3.309 -12.547 7.703 1.00 0.00 C ATOM 392 O ASP A 28 3.469 -13.754 7.873 1.00 0.00 O ATOM 393 CB ASP A 28 1.272 -11.282 8.321 1.00 0.00 C ATOM 394 CG ASP A 28 0.117 -11.881 9.127 1.00 0.00 C ATOM 395 OD1 ASP A 28 -0.001 -13.125 9.112 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.622 -11.080 9.739 1.00 0.00 O ATOM 0 H ASP A 28 3.039 -9.626 8.861 1.00 0.00 H new ATOM 0 HA ASP A 28 2.586 -12.239 9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.194 -10.195 8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.159 -11.577 7.278 1.00 0.00 H new ATOM 401 N CYS A 29 3.657 -11.890 6.607 1.00 0.00 N ATOM 402 CA CYS A 29 4.276 -12.579 5.487 1.00 0.00 C ATOM 403 C CYS A 29 5.635 -13.114 5.943 1.00 0.00 C ATOM 404 O CYS A 29 5.976 -14.264 5.672 1.00 0.00 O ATOM 405 CB CYS A 29 4.402 -11.669 4.263 1.00 0.00 C ATOM 406 SG CYS A 29 2.755 -11.396 3.513 1.00 0.00 S ATOM 0 H CYS A 29 3.522 -10.888 6.470 1.00 0.00 H new ATOM 0 HA CYS A 29 3.645 -13.412 5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.841 -10.715 4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.073 -12.120 3.532 1.00 0.00 H new ATOM 0 HG CYS A 29 2.873 -10.620 2.476 1.00 0.00 H new ATOM 412 N HIS A 30 6.374 -12.253 6.628 1.00 0.00 N ATOM 413 CA HIS A 30 7.688 -12.625 7.124 1.00 0.00 C ATOM 414 C HIS A 30 7.627 -14.025 7.738 1.00 0.00 C ATOM 415 O HIS A 30 8.576 -14.799 7.621 1.00 0.00 O ATOM 416 CB HIS A 30 8.217 -11.573 8.101 1.00 0.00 C ATOM 417 CG HIS A 30 8.822 -12.150 9.358 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.162 -12.013 9.677 1.00 0.00 N ATOM 419 CD2 HIS A 30 8.256 -12.867 10.371 1.00 0.00 C ATOM 420 CE1 HIS A 30 10.381 -12.624 10.832 1.00 0.00 C ATOM 421 NE2 HIS A 30 9.199 -13.153 11.260 1.00 0.00 N ATOM 0 H HIS A 30 6.088 -11.300 6.851 1.00 0.00 H new ATOM 0 HA HIS A 30 8.397 -12.659 6.297 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.968 -10.967 7.594 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.401 -10.905 8.377 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.217 -13.153 10.438 1.00 0.00 H new ATOM 0 HE1 HIS A 30 11.329 -12.691 11.345 1.00 0.00 H new ATOM 0 HE2 HIS A 30 9.062 -13.682 12.122 1.00 0.00 H new ATOM 429 N GLY A 31 6.502 -14.308 8.377 1.00 0.00 N ATOM 430 CA GLY A 31 6.306 -15.602 9.009 1.00 0.00 C ATOM 431 C GLY A 31 5.372 -16.483 8.176 1.00 0.00 C ATOM 432 O GLY A 31 4.489 -17.145 8.720 1.00 0.00 O ATOM 0 H GLY A 31 5.717 -13.664 8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.268 -16.100 9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.888 -15.464 10.006 1.00 0.00 H new ATOM 436 N HIS A 32 5.599 -16.462 6.871 1.00 0.00 N ATOM 437 CA HIS A 32 4.789 -17.250 5.958 1.00 0.00 C ATOM 438 C HIS A 32 5.437 -17.256 4.572 1.00 0.00 C ATOM 439 O HIS A 32 5.900 -18.295 4.104 1.00 0.00 O ATOM 440 CB HIS A 32 3.346 -16.743 5.936 1.00 0.00 C ATOM 441 CG HIS A 32 2.449 -17.397 6.960 1.00 0.00 C ATOM 442 ND1 HIS A 32 2.067 -18.725 6.883 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.864 -16.893 8.084 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.288 -18.997 7.919 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.162 -17.860 8.662 1.00 0.00 N ATOM 0 H HIS A 32 6.332 -15.912 6.424 1.00 0.00 H new ATOM 0 HA HIS A 32 4.744 -18.283 6.304 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.348 -15.666 6.105 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.928 -16.910 4.943 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.956 -15.879 8.443 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.832 -19.952 8.137 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.618 -17.768 9.520 1.00 0.00 H new ATOM 453 N THR A 33 5.448 -16.084 3.954 1.00 0.00 N ATOM 454 CA THR A 33 6.031 -15.941 2.631 1.00 0.00 C ATOM 455 C THR A 33 7.551 -16.095 2.699 1.00 0.00 C ATOM 456 O THR A 33 8.152 -15.903 3.755 1.00 0.00 O ATOM 457 CB THR A 33 5.581 -14.595 2.059 1.00 0.00 C ATOM 458 OG1 THR A 33 4.177 -14.747 1.875 1.00 0.00 O ATOM 459 CG2 THR A 33 6.118 -14.350 0.648 1.00 0.00 C ATOM 0 H THR A 33 5.062 -15.225 4.345 1.00 0.00 H new ATOM 0 HA THR A 33 5.686 -16.727 1.959 1.00 0.00 H new ATOM 0 HB THR A 33 5.912 -13.792 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.965 -14.695 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.769 -13.382 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.208 -14.359 0.667 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.760 -15.134 -0.019 1.00 0.00 H new ATOM 467 N LYS A 34 8.130 -16.442 1.559 1.00 0.00 N ATOM 468 CA LYS A 34 9.570 -16.624 1.475 1.00 0.00 C ATOM 469 C LYS A 34 10.270 -15.394 2.056 1.00 0.00 C ATOM 470 O LYS A 34 9.702 -14.302 2.073 1.00 0.00 O ATOM 471 CB LYS A 34 9.986 -16.948 0.039 1.00 0.00 C ATOM 472 CG LYS A 34 9.485 -18.331 -0.379 1.00 0.00 C ATOM 473 CD LYS A 34 10.651 -19.306 -0.559 1.00 0.00 C ATOM 474 CE LYS A 34 11.086 -19.375 -2.024 1.00 0.00 C ATOM 475 NZ LYS A 34 10.688 -20.668 -2.623 1.00 0.00 N ATOM 0 H LYS A 34 7.628 -16.602 0.685 1.00 0.00 H new ATOM 0 HA LYS A 34 9.881 -17.480 2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.587 -16.193 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.072 -16.910 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.798 -18.716 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.925 -18.252 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.492 -18.991 0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.357 -20.298 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.635 -18.555 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.167 -19.252 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.991 -20.698 -3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.139 -21.446 -2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.654 -20.770 -2.573 1.00 0.00 H new ATOM 489 N LYS A 35 11.492 -15.611 2.519 1.00 0.00 N ATOM 490 CA LYS A 35 12.275 -14.534 3.099 1.00 0.00 C ATOM 491 C LYS A 35 12.730 -13.585 1.989 1.00 0.00 C ATOM 492 O LYS A 35 12.992 -12.409 2.241 1.00 0.00 O ATOM 493 CB LYS A 35 13.426 -15.098 3.935 1.00 0.00 C ATOM 494 CG LYS A 35 14.596 -15.521 3.044 1.00 0.00 C ATOM 495 CD LYS A 35 14.251 -16.781 2.248 1.00 0.00 C ATOM 496 CE LYS A 35 15.519 -17.486 1.761 1.00 0.00 C ATOM 497 NZ LYS A 35 15.959 -18.499 2.746 1.00 0.00 N ATOM 0 H LYS A 35 11.959 -16.518 2.504 1.00 0.00 H new ATOM 0 HA LYS A 35 11.666 -13.950 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.762 -14.348 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.076 -15.954 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.847 -14.711 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.478 -15.704 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.669 -17.461 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.627 -16.517 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.330 -17.963 0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.312 -16.754 1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.820 -18.968 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.158 -18.035 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.208 -19.206 2.876 1.00 0.00 H new ATOM 511 N GLN A 36 12.810 -14.130 0.784 1.00 0.00 N ATOM 512 CA GLN A 36 13.229 -13.346 -0.366 1.00 0.00 C ATOM 513 C GLN A 36 12.081 -12.456 -0.848 1.00 0.00 C ATOM 514 O GLN A 36 12.263 -11.255 -1.044 1.00 0.00 O ATOM 515 CB GLN A 36 13.731 -14.251 -1.493 1.00 0.00 C ATOM 516 CG GLN A 36 14.797 -15.222 -0.982 1.00 0.00 C ATOM 517 CD GLN A 36 14.725 -16.556 -1.727 1.00 0.00 C ATOM 518 OE1 GLN A 36 13.738 -17.272 -1.678 1.00 0.00 O ATOM 519 NE2 GLN A 36 15.823 -16.850 -2.417 1.00 0.00 N ATOM 0 H GLN A 36 12.592 -15.105 0.579 1.00 0.00 H new ATOM 0 HA GLN A 36 14.057 -12.706 -0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.896 -14.811 -1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.144 -13.642 -2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.786 -14.782 -1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 36 14.659 -15.390 0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.614 -16.206 -2.415 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.874 -17.719 -2.948 1.00 0.00 H new ATOM 528 N VAL A 37 10.925 -13.079 -1.024 1.00 0.00 N ATOM 529 CA VAL A 37 9.748 -12.358 -1.479 1.00 0.00 C ATOM 530 C VAL A 37 9.363 -11.308 -0.435 1.00 0.00 C ATOM 531 O VAL A 37 9.030 -10.176 -0.781 1.00 0.00 O ATOM 532 CB VAL A 37 8.617 -13.342 -1.782 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.344 -12.602 -2.198 1.00 0.00 C ATOM 534 CG2 VAL A 37 9.040 -14.350 -2.853 1.00 0.00 C ATOM 0 H VAL A 37 10.778 -14.075 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 37 9.959 -11.830 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 37 8.400 -13.895 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.555 -13.324 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.026 -11.942 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.542 -12.011 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.218 -15.038 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.297 -13.820 -3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.907 -14.911 -2.503 1.00 0.00 H new ATOM 544 N CYS A 38 9.422 -11.721 0.823 1.00 0.00 N ATOM 545 CA CYS A 38 9.084 -10.830 1.920 1.00 0.00 C ATOM 546 C CYS A 38 10.133 -9.718 1.976 1.00 0.00 C ATOM 547 O CYS A 38 9.795 -8.551 2.174 1.00 0.00 O ATOM 548 CB CYS A 38 8.978 -11.583 3.248 1.00 0.00 C ATOM 549 SG CYS A 38 7.728 -10.786 4.321 1.00 0.00 S ATOM 0 H CYS A 38 9.699 -12.661 1.107 1.00 0.00 H new ATOM 0 HA CYS A 38 8.101 -10.392 1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.703 -12.622 3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 38 9.946 -11.592 3.749 1.00 0.00 H new ATOM 0 HG CYS A 38 8.291 -10.393 5.425 1.00 0.00 H new ATOM 555 N ASP A 39 11.383 -10.117 1.799 1.00 0.00 N ATOM 556 CA ASP A 39 12.483 -9.169 1.827 1.00 0.00 C ATOM 557 C ASP A 39 12.252 -8.095 0.762 1.00 0.00 C ATOM 558 O ASP A 39 12.487 -6.912 1.007 1.00 0.00 O ATOM 559 CB ASP A 39 13.814 -9.859 1.521 1.00 0.00 C ATOM 560 CG ASP A 39 14.985 -8.913 1.246 1.00 0.00 C ATOM 561 OD1 ASP A 39 14.980 -7.816 1.844 1.00 0.00 O ATOM 562 OD2 ASP A 39 15.858 -9.309 0.444 1.00 0.00 O ATOM 0 H ASP A 39 11.659 -11.085 1.635 1.00 0.00 H new ATOM 0 HA ASP A 39 12.525 -8.731 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.075 -10.501 2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.679 -10.507 0.655 1.00 0.00 H new ATOM 567 N ASP A 40 11.795 -8.545 -0.397 1.00 0.00 N ATOM 568 CA ASP A 40 11.530 -7.637 -1.500 1.00 0.00 C ATOM 569 C ASP A 40 10.488 -6.603 -1.065 1.00 0.00 C ATOM 570 O ASP A 40 10.730 -5.400 -1.149 1.00 0.00 O ATOM 571 CB ASP A 40 10.972 -8.389 -2.711 1.00 0.00 C ATOM 572 CG ASP A 40 10.994 -7.605 -4.024 1.00 0.00 C ATOM 573 OD1 ASP A 40 10.568 -6.431 -3.992 1.00 0.00 O ATOM 574 OD2 ASP A 40 11.435 -8.199 -5.032 1.00 0.00 O ATOM 0 H ASP A 40 11.601 -9.526 -0.596 1.00 0.00 H new ATOM 0 HA ASP A 40 12.469 -7.157 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.543 -9.308 -2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.944 -8.681 -2.497 1.00 0.00 H new ATOM 579 N ILE A 41 9.352 -7.111 -0.610 1.00 0.00 N ATOM 580 CA ILE A 41 8.273 -6.247 -0.162 1.00 0.00 C ATOM 581 C ILE A 41 8.824 -5.226 0.836 1.00 0.00 C ATOM 582 O ILE A 41 8.776 -4.022 0.589 1.00 0.00 O ATOM 583 CB ILE A 41 7.113 -7.079 0.386 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.447 -7.892 -0.726 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.109 -6.197 1.131 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.404 -8.854 -0.154 1.00 0.00 C ATOM 0 H ILE A 41 9.155 -8.110 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 41 7.862 -5.684 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 41 7.515 -7.790 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.973 -7.218 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.204 -8.454 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.294 -6.814 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.608 -5.702 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.709 -5.446 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.946 -9.419 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.886 -9.542 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.636 -8.287 0.372 1.00 0.00 H new ATOM 598 N SER A 42 9.335 -5.746 1.943 1.00 0.00 N ATOM 599 CA SER A 42 9.894 -4.895 2.980 1.00 0.00 C ATOM 600 C SER A 42 10.698 -3.758 2.346 1.00 0.00 C ATOM 601 O SER A 42 10.396 -2.585 2.562 1.00 0.00 O ATOM 602 CB SER A 42 10.777 -5.700 3.936 1.00 0.00 C ATOM 603 OG SER A 42 10.368 -7.062 4.020 1.00 0.00 O ATOM 0 H SER A 42 9.374 -6.745 2.144 1.00 0.00 H new ATOM 0 HA SER A 42 9.071 -4.473 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.813 -5.652 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.743 -5.249 4.928 1.00 0.00 H new ATOM 0 HG SER A 42 10.638 -7.536 3.206 1.00 0.00 H new ATOM 609 N ARG A 43 11.705 -4.144 1.577 1.00 0.00 N ATOM 610 CA ARG A 43 12.554 -3.171 0.911 1.00 0.00 C ATOM 611 C ARG A 43 11.705 -2.054 0.301 1.00 0.00 C ATOM 612 O ARG A 43 12.047 -0.878 0.413 1.00 0.00 O ATOM 613 CB ARG A 43 13.386 -3.830 -0.192 1.00 0.00 C ATOM 614 CG ARG A 43 14.883 -3.659 0.074 1.00 0.00 C ATOM 615 CD ARG A 43 15.660 -3.520 -1.236 1.00 0.00 C ATOM 616 NE ARG A 43 16.474 -2.284 -1.214 1.00 0.00 N ATOM 617 CZ ARG A 43 17.673 -2.185 -0.624 1.00 0.00 C ATOM 618 NH1 ARG A 43 18.205 -3.248 -0.004 1.00 0.00 N ATOM 619 NH2 ARG A 43 18.340 -1.023 -0.653 1.00 0.00 N ATOM 0 H ARG A 43 11.952 -5.118 1.400 1.00 0.00 H new ATOM 0 HA ARG A 43 13.228 -2.752 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.142 -4.891 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.132 -3.390 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.048 -2.778 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.257 -4.516 0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.305 -4.387 -1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.968 -3.494 -2.078 1.00 0.00 H new ATOM 0 HE ARG A 43 16.099 -1.456 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.697 -4.132 0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 43 19.118 -3.173 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.935 -0.214 -1.124 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.253 -0.948 -0.204 1.00 0.00 H new ATOM 633 N ARG A 44 10.613 -2.462 -0.330 1.00 0.00 N ATOM 634 CA ARG A 44 9.712 -1.510 -0.957 1.00 0.00 C ATOM 635 C ARG A 44 9.076 -0.605 0.100 1.00 0.00 C ATOM 636 O ARG A 44 8.934 0.598 -0.112 1.00 0.00 O ATOM 637 CB ARG A 44 8.608 -2.228 -1.736 1.00 0.00 C ATOM 638 CG ARG A 44 9.200 -3.212 -2.746 1.00 0.00 C ATOM 639 CD ARG A 44 9.418 -2.541 -4.103 1.00 0.00 C ATOM 640 NE ARG A 44 10.245 -3.409 -4.971 1.00 0.00 N ATOM 641 CZ ARG A 44 11.584 -3.450 -4.935 1.00 0.00 C ATOM 642 NH1 ARG A 44 12.255 -2.672 -4.075 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.251 -4.269 -5.759 1.00 0.00 N ATOM 0 H ARG A 44 10.332 -3.438 -0.420 1.00 0.00 H new ATOM 0 HA ARG A 44 10.297 -0.907 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.957 -2.761 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.990 -1.496 -2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.148 -3.597 -2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.532 -4.066 -2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.457 -2.346 -4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.908 -1.577 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 44 9.766 -4.014 -5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.747 -2.049 -3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.274 -2.703 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.740 -4.861 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.270 -4.300 -5.732 1.00 0.00 H new ATOM 657 N LEU A 45 8.710 -1.219 1.216 1.00 0.00 N ATOM 658 CA LEU A 45 8.093 -0.484 2.307 1.00 0.00 C ATOM 659 C LEU A 45 9.001 0.678 2.711 1.00 0.00 C ATOM 660 O LEU A 45 8.575 1.833 2.712 1.00 0.00 O ATOM 661 CB LEU A 45 7.749 -1.427 3.461 1.00 0.00 C ATOM 662 CG LEU A 45 6.855 -2.619 3.112 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.234 -3.226 4.371 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.795 -2.224 2.082 1.00 0.00 C ATOM 0 H LEU A 45 8.829 -2.217 1.388 1.00 0.00 H new ATOM 0 HA LEU A 45 7.145 -0.051 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.679 -1.808 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.259 -0.848 4.243 1.00 0.00 H new ATOM 0 HG LEU A 45 7.475 -3.391 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.604 -4.071 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.025 -3.567 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.630 -2.473 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.173 -3.088 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.172 -1.427 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.284 -1.875 1.172 1.00 0.00 H new ATOM 676 N ALA A 46 10.236 0.334 3.046 1.00 0.00 N ATOM 677 CA ALA A 46 11.208 1.335 3.451 1.00 0.00 C ATOM 678 C ALA A 46 11.073 2.565 2.551 1.00 0.00 C ATOM 679 O ALA A 46 11.110 3.697 3.032 1.00 0.00 O ATOM 680 CB ALA A 46 12.613 0.730 3.406 1.00 0.00 C ATOM 0 H ALA A 46 10.586 -0.624 3.045 1.00 0.00 H new ATOM 0 HA ALA A 46 11.024 1.656 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.342 1.481 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.664 -0.121 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.834 0.399 2.391 1.00 0.00 H new ATOM 686 N LEU A 47 10.920 2.301 1.262 1.00 0.00 N ATOM 687 CA LEU A 47 10.780 3.373 0.291 1.00 0.00 C ATOM 688 C LEU A 47 9.464 4.112 0.540 1.00 0.00 C ATOM 689 O LEU A 47 9.457 5.328 0.731 1.00 0.00 O ATOM 690 CB LEU A 47 10.919 2.828 -1.132 1.00 0.00 C ATOM 691 CG LEU A 47 11.637 3.737 -2.132 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.928 2.994 -3.437 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.844 5.024 -2.369 1.00 0.00 C ATOM 0 H LEU A 47 10.890 1.361 0.867 1.00 0.00 H new ATOM 0 HA LEU A 47 11.582 4.101 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.453 1.879 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.922 2.614 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 47 12.598 4.025 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.439 3.662 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.562 2.132 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.991 2.658 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.376 5.653 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.859 4.777 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.731 5.561 -1.427 1.00 0.00 H new ATOM 705 N LEU A 48 8.382 3.348 0.531 1.00 0.00 N ATOM 706 CA LEU A 48 7.063 3.916 0.754 1.00 0.00 C ATOM 707 C LEU A 48 7.140 4.947 1.881 1.00 0.00 C ATOM 708 O LEU A 48 6.758 6.102 1.698 1.00 0.00 O ATOM 709 CB LEU A 48 6.038 2.808 1.003 1.00 0.00 C ATOM 710 CG LEU A 48 4.670 3.262 1.516 1.00 0.00 C ATOM 711 CD1 LEU A 48 4.077 4.344 0.610 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.723 2.072 1.682 1.00 0.00 C ATOM 0 H LEU A 48 8.391 2.340 0.373 1.00 0.00 H new ATOM 0 HA LEU A 48 6.719 4.442 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.891 2.260 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.459 2.106 1.723 1.00 0.00 H new ATOM 0 HG LEU A 48 4.805 3.705 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.105 4.649 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.745 5.205 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.959 3.949 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.758 2.423 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.588 1.577 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.147 1.367 2.397 1.00 0.00 H new ATOM 724 N ARG A 49 7.638 4.493 3.022 1.00 0.00 N ATOM 725 CA ARG A 49 7.770 5.362 4.179 1.00 0.00 C ATOM 726 C ARG A 49 8.629 6.580 3.833 1.00 0.00 C ATOM 727 O ARG A 49 8.208 7.718 4.032 1.00 0.00 O ATOM 728 CB ARG A 49 8.403 4.618 5.357 1.00 0.00 C ATOM 729 CG ARG A 49 8.619 5.557 6.546 1.00 0.00 C ATOM 730 CD ARG A 49 9.163 4.794 7.755 1.00 0.00 C ATOM 731 NE ARG A 49 10.153 5.626 8.476 1.00 0.00 N ATOM 732 CZ ARG A 49 11.043 5.143 9.353 1.00 0.00 C ATOM 733 NH1 ARG A 49 11.072 3.831 9.625 1.00 0.00 N ATOM 734 NH2 ARG A 49 11.903 5.972 9.960 1.00 0.00 N ATOM 0 H ARG A 49 7.955 3.535 3.170 1.00 0.00 H new ATOM 0 HA ARG A 49 6.770 5.688 4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.761 3.789 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.357 4.188 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.315 6.348 6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.677 6.039 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.345 4.526 8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.627 3.863 7.429 1.00 0.00 H new ATOM 0 HE ARG A 49 10.158 6.630 8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.416 3.200 9.164 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.750 3.463 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.880 6.971 9.754 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.581 5.604 10.628 1.00 0.00 H new ATOM 748 N GLU A 50 9.818 6.299 3.320 1.00 0.00 N ATOM 749 CA GLU A 50 10.740 7.357 2.944 1.00 0.00 C ATOM 750 C GLU A 50 10.049 8.359 2.018 1.00 0.00 C ATOM 751 O GLU A 50 10.058 9.561 2.279 1.00 0.00 O ATOM 752 CB GLU A 50 11.998 6.781 2.290 1.00 0.00 C ATOM 753 CG GLU A 50 12.942 6.192 3.339 1.00 0.00 C ATOM 754 CD GLU A 50 13.258 7.218 4.430 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.964 8.196 4.101 1.00 0.00 O ATOM 756 OE2 GLU A 50 12.787 7.001 5.567 1.00 0.00 O ATOM 0 H GLU A 50 10.164 5.354 3.156 1.00 0.00 H new ATOM 0 HA GLU A 50 11.049 7.882 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.718 6.009 1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.512 7.563 1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.488 5.308 3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.866 5.868 2.861 1.00 0.00 H new ATOM 763 N GLN A 51 9.466 7.827 0.953 1.00 0.00 N ATOM 764 CA GLN A 51 8.772 8.660 -0.014 1.00 0.00 C ATOM 765 C GLN A 51 7.570 9.344 0.641 1.00 0.00 C ATOM 766 O GLN A 51 7.257 10.491 0.326 1.00 0.00 O ATOM 767 CB GLN A 51 8.340 7.841 -1.232 1.00 0.00 C ATOM 768 CG GLN A 51 9.264 8.102 -2.424 1.00 0.00 C ATOM 769 CD GLN A 51 8.515 7.928 -3.747 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.722 8.760 -4.154 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.811 6.804 -4.392 1.00 0.00 N ATOM 0 H GLN A 51 9.460 6.830 0.739 1.00 0.00 H new ATOM 0 HA GLN A 51 9.460 9.431 -0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.352 6.780 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.314 8.094 -1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.668 9.112 -2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.111 7.417 -2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.485 6.150 -3.994 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.364 6.596 -5.285 1.00 0.00 H new ATOM 780 N TRP A 52 6.930 8.612 1.540 1.00 0.00 N ATOM 781 CA TRP A 52 5.770 9.134 2.242 1.00 0.00 C ATOM 782 C TRP A 52 6.236 10.283 3.137 1.00 0.00 C ATOM 783 O TRP A 52 5.840 11.430 2.938 1.00 0.00 O ATOM 784 CB TRP A 52 5.053 8.026 3.017 1.00 0.00 C ATOM 785 CG TRP A 52 3.705 8.448 3.603 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.443 9.492 4.402 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.436 7.791 3.402 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.104 9.555 4.730 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.472 8.487 4.103 1.00 0.00 C ATOM 790 CE3 TRP A 52 2.113 6.645 2.654 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.122 8.117 4.124 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.760 6.288 2.686 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.223 6.979 3.386 1.00 0.00 C ATOM 0 H TRP A 52 7.193 7.661 1.799 1.00 0.00 H new ATOM 0 HA TRP A 52 5.034 9.519 1.536 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.899 7.175 2.354 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.699 7.687 3.827 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.187 10.196 4.746 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.660 10.256 5.323 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.851 6.085 2.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.614 8.679 4.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.458 5.414 2.128 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.248 6.639 3.360 1.00 0.00 H new ATOM 804 N ALA A 53 7.072 9.936 4.105 1.00 0.00 N ATOM 805 CA ALA A 53 7.597 10.924 5.031 1.00 0.00 C ATOM 806 C ALA A 53 8.306 12.028 4.245 1.00 0.00 C ATOM 807 O ALA A 53 7.951 13.201 4.357 1.00 0.00 O ATOM 808 CB ALA A 53 8.524 10.239 6.038 1.00 0.00 C ATOM 0 H ALA A 53 7.399 8.983 4.268 1.00 0.00 H new ATOM 0 HA ALA A 53 6.788 11.388 5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.918 10.981 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.966 9.484 6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.350 9.764 5.508 1.00 0.00 H new ATOM 814 N GLY A 54 9.295 11.615 3.466 1.00 0.00 N ATOM 815 CA GLY A 54 10.057 12.554 2.661 1.00 0.00 C ATOM 816 C GLY A 54 9.156 13.663 2.112 1.00 0.00 C ATOM 817 O GLY A 54 9.522 14.836 2.139 1.00 0.00 O ATOM 0 H GLY A 54 9.586 10.642 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.853 12.992 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.535 12.027 1.835 1.00 0.00 H new ATOM 821 N GLY A 55 7.994 13.251 1.627 1.00 0.00 N ATOM 822 CA GLY A 55 7.037 14.194 1.073 1.00 0.00 C ATOM 823 C GLY A 55 7.010 14.113 -0.455 1.00 0.00 C ATOM 824 O GLY A 55 6.563 15.045 -1.122 1.00 0.00 O ATOM 0 H GLY A 55 7.693 12.277 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.043 13.985 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.297 15.206 1.383 1.00 0.00 H new ATOM 828 N LYS A 56 7.495 12.990 -0.965 1.00 0.00 N ATOM 829 CA LYS A 56 7.532 12.776 -2.402 1.00 0.00 C ATOM 830 C LYS A 56 6.163 12.281 -2.875 1.00 0.00 C ATOM 831 O LYS A 56 5.901 12.224 -4.075 1.00 0.00 O ATOM 832 CB LYS A 56 8.685 11.843 -2.775 1.00 0.00 C ATOM 833 CG LYS A 56 9.947 12.639 -3.114 1.00 0.00 C ATOM 834 CD LYS A 56 10.331 12.457 -4.584 1.00 0.00 C ATOM 835 CE LYS A 56 10.903 11.060 -4.832 1.00 0.00 C ATOM 836 NZ LYS A 56 12.380 11.111 -4.915 1.00 0.00 N ATOM 0 H LYS A 56 7.865 12.219 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 56 7.730 13.713 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.890 11.164 -1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.398 11.228 -3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.782 13.696 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.769 12.313 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.455 12.613 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.066 13.210 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.601 10.389 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.495 10.653 -5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.751 10.154 -5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.662 11.735 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.765 11.480 -4.022 1.00 0.00 H new ATOM 850 N LEU A 57 5.327 11.937 -1.906 1.00 0.00 N ATOM 851 CA LEU A 57 3.992 11.450 -2.209 1.00 0.00 C ATOM 852 C LEU A 57 3.004 12.616 -2.157 1.00 0.00 C ATOM 853 O LEU A 57 3.212 13.579 -1.421 1.00 0.00 O ATOM 854 CB LEU A 57 3.623 10.290 -1.282 1.00 0.00 C ATOM 855 CG LEU A 57 4.625 9.135 -1.220 1.00 0.00 C ATOM 856 CD1 LEU A 57 4.131 8.030 -0.284 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.937 8.604 -2.620 1.00 0.00 C ATOM 0 H LEU A 57 5.548 11.986 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 57 3.954 11.045 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.491 10.684 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.659 9.892 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 57 5.559 9.515 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.862 7.221 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.002 8.434 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.177 7.646 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.651 7.784 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.019 8.245 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.363 9.404 -3.226 1.00 0.00 H new ATOM 869 N SER A 58 1.949 12.492 -2.949 1.00 0.00 N ATOM 870 CA SER A 58 0.928 13.524 -3.003 1.00 0.00 C ATOM 871 C SER A 58 -0.090 13.313 -1.880 1.00 0.00 C ATOM 872 O SER A 58 -0.210 12.212 -1.345 1.00 0.00 O ATOM 873 CB SER A 58 0.224 13.532 -4.362 1.00 0.00 C ATOM 874 OG SER A 58 1.104 13.167 -5.421 1.00 0.00 O ATOM 0 H SER A 58 1.779 11.692 -3.559 1.00 0.00 H new ATOM 0 HA SER A 58 1.413 14.491 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.619 12.842 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.182 14.525 -4.554 1.00 0.00 H new ATOM 0 HG SER A 58 0.608 12.664 -6.100 1.00 0.00 H new ATOM 880 N ILE A 59 -0.796 14.386 -1.556 1.00 0.00 N ATOM 881 CA ILE A 59 -1.799 14.333 -0.506 1.00 0.00 C ATOM 882 C ILE A 59 -2.895 13.343 -0.904 1.00 0.00 C ATOM 883 O ILE A 59 -3.327 12.528 -0.089 1.00 0.00 O ATOM 884 CB ILE A 59 -2.322 15.736 -0.192 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.204 16.630 0.348 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.518 15.675 0.760 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.246 18.014 -0.302 1.00 0.00 C ATOM 0 H ILE A 59 -0.693 15.297 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.360 13.967 0.422 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.673 16.186 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.303 16.729 1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.237 16.164 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.870 16.686 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.320 15.098 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.217 15.198 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.441 18.629 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.123 17.913 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.205 18.487 -0.089 1.00 0.00 H new ATOM 899 N PRO A 60 -3.326 13.448 -2.190 1.00 0.00 N ATOM 900 CA PRO A 60 -4.364 12.572 -2.705 1.00 0.00 C ATOM 901 C PRO A 60 -3.815 11.168 -2.968 1.00 0.00 C ATOM 902 O PRO A 60 -4.567 10.259 -3.317 1.00 0.00 O ATOM 903 CB PRO A 60 -4.867 13.258 -3.965 1.00 0.00 C ATOM 904 CG PRO A 60 -3.785 14.248 -4.361 1.00 0.00 C ATOM 905 CD PRO A 60 -2.838 14.401 -3.182 1.00 0.00 C ATOM 0 HA PRO A 60 -5.178 12.422 -1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.043 12.534 -4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.813 13.767 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.246 13.893 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.225 15.210 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.809 14.182 -3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.851 15.419 -2.793 1.00 0.00 H new ATOM 913 N VAL A 61 -2.509 11.035 -2.790 1.00 0.00 N ATOM 914 CA VAL A 61 -1.851 9.757 -3.004 1.00 0.00 C ATOM 915 C VAL A 61 -1.831 8.973 -1.690 1.00 0.00 C ATOM 916 O VAL A 61 -1.627 7.760 -1.690 1.00 0.00 O ATOM 917 CB VAL A 61 -0.455 9.978 -3.589 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.501 8.861 -3.166 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.513 10.102 -5.113 1.00 0.00 C ATOM 0 H VAL A 61 -1.889 11.791 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.402 9.161 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.070 10.917 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.486 9.043 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.578 8.840 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.121 7.903 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.492 10.259 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.929 9.188 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.144 10.948 -5.385 1.00 0.00 H new ATOM 929 N LYS A 62 -2.046 9.698 -0.602 1.00 0.00 N ATOM 930 CA LYS A 62 -2.055 9.085 0.715 1.00 0.00 C ATOM 931 C LYS A 62 -3.493 8.724 1.095 1.00 0.00 C ATOM 932 O LYS A 62 -3.767 7.594 1.498 1.00 0.00 O ATOM 933 CB LYS A 62 -1.360 9.992 1.733 1.00 0.00 C ATOM 934 CG LYS A 62 -0.513 11.055 1.031 1.00 0.00 C ATOM 935 CD LYS A 62 0.422 11.753 2.021 1.00 0.00 C ATOM 936 CE LYS A 62 1.848 11.826 1.471 1.00 0.00 C ATOM 937 NZ LYS A 62 2.734 10.895 2.204 1.00 0.00 N ATOM 0 H LYS A 62 -2.215 10.704 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.484 8.157 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.106 10.475 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.728 9.392 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.073 10.592 0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.164 11.791 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.055 12.759 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.421 11.215 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.848 11.578 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.227 12.844 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.683 11.313 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.346 10.722 3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.797 9.995 1.686 1.00 0.00 H new ATOM 951 N LYS A 63 -4.373 9.704 0.953 1.00 0.00 N ATOM 952 CA LYS A 63 -5.775 9.503 1.276 1.00 0.00 C ATOM 953 C LYS A 63 -6.311 8.310 0.481 1.00 0.00 C ATOM 954 O LYS A 63 -7.219 7.615 0.935 1.00 0.00 O ATOM 955 CB LYS A 63 -6.566 10.794 1.055 1.00 0.00 C ATOM 956 CG LYS A 63 -7.102 11.342 2.379 1.00 0.00 C ATOM 957 CD LYS A 63 -6.570 12.752 2.645 1.00 0.00 C ATOM 958 CE LYS A 63 -5.066 12.728 2.922 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.808 12.722 4.380 1.00 0.00 N ATOM 0 H LYS A 63 -4.142 10.640 0.619 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.892 9.261 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.927 11.539 0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.395 10.605 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.192 11.359 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.812 10.680 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.775 13.390 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.093 13.187 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.620 11.845 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.592 13.597 2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.783 12.689 4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.202 13.585 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.258 11.888 4.809 1.00 0.00 H new ATOM 973 N ARG A 64 -5.727 8.110 -0.691 1.00 0.00 N ATOM 974 CA ARG A 64 -6.134 7.013 -1.552 1.00 0.00 C ATOM 975 C ARG A 64 -5.588 5.687 -1.018 1.00 0.00 C ATOM 976 O ARG A 64 -6.295 4.680 -1.007 1.00 0.00 O ATOM 977 CB ARG A 64 -5.635 7.222 -2.983 1.00 0.00 C ATOM 978 CG ARG A 64 -6.806 7.320 -3.963 1.00 0.00 C ATOM 979 CD ARG A 64 -6.433 8.169 -5.180 1.00 0.00 C ATOM 980 NE ARG A 64 -7.610 8.336 -6.061 1.00 0.00 N ATOM 981 CZ ARG A 64 -7.690 9.244 -7.044 1.00 0.00 C ATOM 982 NH1 ARG A 64 -6.663 10.072 -7.277 1.00 0.00 N ATOM 983 NH2 ARG A 64 -8.798 9.323 -7.793 1.00 0.00 N ATOM 0 H ARG A 64 -4.975 8.689 -1.065 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.224 6.984 -1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.036 8.131 -3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.984 6.396 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.098 6.321 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.669 7.757 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.070 9.144 -4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.621 7.693 -5.730 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.410 7.722 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.820 10.012 -6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.724 10.763 -8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.580 8.693 -7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.860 10.014 -8.541 1.00 0.00 H new ATOM 997 N MET A 65 -4.336 5.730 -0.587 1.00 0.00 N ATOM 998 CA MET A 65 -3.688 4.544 -0.053 1.00 0.00 C ATOM 999 C MET A 65 -4.469 3.980 1.135 1.00 0.00 C ATOM 1000 O MET A 65 -4.875 2.819 1.120 1.00 0.00 O ATOM 1001 CB MET A 65 -2.266 4.896 0.391 1.00 0.00 C ATOM 1002 CG MET A 65 -1.247 4.522 -0.686 1.00 0.00 C ATOM 1003 SD MET A 65 -1.282 2.760 -0.974 1.00 0.00 S ATOM 1004 CE MET A 65 -0.901 2.170 0.667 1.00 0.00 C ATOM 0 H MET A 65 -3.753 6.567 -0.597 1.00 0.00 H new ATOM 0 HA MET A 65 -3.657 3.786 -0.836 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.201 5.963 0.603 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.030 4.372 1.317 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.471 5.054 -1.610 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.248 4.828 -0.375 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.553 1.139 0.611 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.121 2.793 1.106 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.796 2.218 1.288 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.657 4.828 2.136 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.383 4.429 3.329 1.00 0.00 C ATOM 1016 C ALA A 66 -6.572 3.553 2.928 1.00 0.00 C ATOM 1017 O ALA A 66 -6.854 2.548 3.578 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.812 5.675 4.107 1.00 0.00 C ATOM 0 H ALA A 66 -4.319 5.790 2.145 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.745 3.838 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.357 5.375 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.929 6.247 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.456 6.292 3.480 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.238 3.968 1.860 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.390 3.234 1.366 1.00 0.00 C ATOM 1026 C LEU A 67 -8.018 1.759 1.201 1.00 0.00 C ATOM 1027 O LEU A 67 -8.551 0.899 1.900 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.927 3.879 0.087 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.165 5.389 0.146 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.086 5.845 -0.988 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.696 5.807 1.519 1.00 0.00 C ATOM 0 H LEU A 67 -7.002 4.803 1.324 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.207 3.278 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.226 3.673 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.867 3.393 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.208 5.891 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.238 6.922 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.630 5.601 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.047 5.337 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.857 6.885 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.639 5.297 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.971 5.537 2.287 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.105 1.512 0.272 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.655 0.157 0.007 1.00 0.00 C ATOM 1045 C LEU A 68 -6.308 -0.529 1.330 1.00 0.00 C ATOM 1046 O LEU A 68 -6.642 -1.695 1.535 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.506 0.161 -1.004 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.447 -0.927 -0.820 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.636 -1.124 -2.102 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.552 -0.623 0.383 1.00 0.00 C ATOM 0 H LEU A 68 -6.665 2.228 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.452 -0.425 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.928 0.064 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.012 1.132 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.956 -1.868 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.890 -1.903 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.303 -1.419 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.137 -0.191 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.808 -1.412 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.049 0.332 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.161 -0.572 1.286 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.641 0.224 2.192 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.244 -0.297 3.489 1.00 0.00 C ATOM 1064 C VAL A 69 -6.493 -0.705 4.274 1.00 0.00 C ATOM 1065 O VAL A 69 -6.677 -1.880 4.587 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.385 0.733 4.226 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.176 0.328 5.687 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.045 0.937 3.517 1.00 0.00 C ATOM 0 H VAL A 69 -5.366 1.191 2.018 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.629 -1.189 3.370 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.918 1.684 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.562 1.077 6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.142 0.257 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.674 -0.639 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.454 1.674 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.504 -0.009 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.221 1.292 2.501 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.318 0.288 4.568 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.544 0.048 5.310 1.00 0.00 C ATOM 1080 C GLN A 70 -9.195 -1.259 4.851 1.00 0.00 C ATOM 1081 O GLN A 70 -9.689 -2.032 5.670 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.513 1.223 5.165 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.964 2.474 5.853 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.167 2.402 7.367 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -10.266 2.541 7.880 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.050 2.176 8.053 1.00 0.00 N ATOM 0 H GLN A 70 -7.162 1.261 4.306 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.293 -0.045 6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.684 1.430 4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.478 0.959 5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.902 2.580 5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.463 3.359 5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.163 2.069 7.562 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.081 2.110 9.070 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.174 -1.465 3.542 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.755 -2.665 2.964 1.00 0.00 C ATOM 1097 C GLU A 71 -8.956 -3.899 3.388 1.00 0.00 C ATOM 1098 O GLU A 71 -9.519 -4.852 3.925 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.831 -2.558 1.440 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.540 -1.270 1.015 1.00 0.00 C ATOM 1101 CD GLU A 71 -12.059 -1.452 1.025 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.530 -2.252 1.862 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.716 -0.788 0.194 1.00 0.00 O ATOM 0 H GLU A 71 -8.764 -0.821 2.866 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.773 -2.769 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.825 -2.579 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.363 -3.420 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.263 -0.459 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.211 -0.982 0.017 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.658 -3.841 3.130 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.777 -4.943 3.478 1.00 0.00 C ATOM 1112 C LEU A 72 -7.016 -5.341 4.936 1.00 0.00 C ATOM 1113 O LEU A 72 -6.826 -6.498 5.307 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.322 -4.583 3.170 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.358 -5.761 3.015 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.338 -5.493 1.906 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.682 -6.095 4.346 1.00 0.00 C ATOM 0 H LEU A 72 -7.195 -3.049 2.684 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.002 -5.818 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.300 -3.998 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.951 -3.938 3.967 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.935 -6.637 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.665 -6.346 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.859 -5.342 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.762 -4.600 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.002 -6.936 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.121 -5.229 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.440 -6.359 5.083 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.428 -4.359 5.724 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.695 -4.592 7.133 1.00 0.00 C ATOM 1131 C LEU A 73 -8.955 -5.449 7.274 1.00 0.00 C ATOM 1132 O LEU A 73 -8.967 -6.422 8.026 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.766 -3.265 7.892 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.461 -2.472 7.979 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.704 -1.078 8.562 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.400 -3.245 8.765 1.00 0.00 C ATOM 0 H LEU A 73 -7.583 -3.400 5.413 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.877 -5.150 7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.519 -2.637 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.114 -3.467 8.905 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.077 -2.336 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.760 -0.535 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.402 -0.534 7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.124 -1.171 9.564 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.482 -2.658 8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.762 -3.434 9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.199 -4.194 8.268 1.00 0.00 H new ATOM 1148 N HIS A 74 -9.985 -5.056 6.539 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.246 -5.776 6.573 1.00 0.00 C ATOM 1150 C HIS A 74 -11.136 -7.043 5.723 1.00 0.00 C ATOM 1151 O HIS A 74 -12.083 -7.824 5.641 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.400 -4.870 6.140 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.165 -4.258 7.289 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.498 -3.896 7.194 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.772 -3.950 8.558 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.878 -3.392 8.359 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.807 -3.426 9.203 1.00 0.00 N ATOM 0 H HIS A 74 -9.972 -4.248 5.916 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.466 -6.084 7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.005 -4.071 5.513 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.090 -5.447 5.524 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.785 -4.106 8.969 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.863 -3.020 8.598 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.802 -3.102 10.170 1.00 0.00 H new ATOM 1165 N HIS A 75 -9.973 -7.209 5.112 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.727 -8.368 4.272 1.00 0.00 C ATOM 1167 C HIS A 75 -10.258 -8.102 2.862 1.00 0.00 C ATOM 1168 O HIS A 75 -10.156 -8.958 1.984 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.320 -9.631 4.900 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.173 -9.696 6.402 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.210 -10.065 7.241 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.101 -9.438 7.205 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -10.770 -10.025 8.491 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.463 -9.636 8.466 1.00 0.00 N ATOM 0 H HIS A 75 -9.190 -6.559 5.182 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.654 -8.542 4.192 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.378 -9.689 4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.838 -10.504 4.460 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.123 -9.125 6.871 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.346 -10.259 9.374 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.863 -9.517 9.282 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.814 -6.912 2.689 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.362 -6.523 1.400 1.00 0.00 C ATOM 1184 C GLN A 76 -10.240 -6.365 0.372 1.00 0.00 C ATOM 1185 O GLN A 76 -9.967 -5.258 -0.089 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.181 -5.236 1.520 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.526 -5.503 2.198 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.594 -5.880 1.170 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.542 -5.496 0.013 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.564 -6.651 1.654 1.00 0.00 N ATOM 0 H GLN A 76 -10.897 -6.205 3.419 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.032 -7.312 1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.621 -4.497 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.347 -4.813 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.417 -6.307 2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.842 -4.616 2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.548 -6.937 2.633 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.324 -6.956 1.046 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.619 -7.488 0.044 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.533 -7.489 -0.921 1.00 0.00 C ATOM 1201 C TRP A 77 -9.082 -6.968 -2.251 1.00 0.00 C ATOM 1202 O TRP A 77 -8.447 -6.145 -2.909 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.903 -8.878 -1.037 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.103 -9.758 0.199 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -9.011 -10.726 0.384 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.338 -9.709 1.421 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.887 -11.303 1.631 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.838 -10.665 2.282 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.260 -8.884 1.788 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.321 -10.886 3.565 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.755 -9.118 3.072 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.246 -10.077 3.951 1.00 0.00 C ATOM 0 H TRP A 77 -9.847 -8.404 0.430 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.727 -6.831 -0.595 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.325 -9.386 -1.904 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.835 -8.767 -1.222 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.747 -11.018 -0.351 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.460 -12.059 2.006 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.854 -8.129 1.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.730 -11.640 4.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.926 -8.511 3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.800 -10.197 4.927 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.256 -7.469 -2.607 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.897 -7.065 -3.847 1.00 0.00 C ATOM 1225 C ASP A 78 -10.892 -5.538 -3.944 1.00 0.00 C ATOM 1226 O ASP A 78 -10.663 -4.982 -5.017 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.351 -7.538 -3.894 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.702 -8.431 -5.085 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.718 -7.893 -6.213 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -12.948 -9.632 -4.841 1.00 0.00 O ATOM 0 H ASP A 78 -10.780 -8.151 -2.058 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.346 -7.512 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.571 -8.081 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.001 -6.664 -3.911 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.148 -4.904 -2.809 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.177 -3.453 -2.753 1.00 0.00 C ATOM 1237 C ALA A 79 -9.747 -2.915 -2.848 1.00 0.00 C ATOM 1238 O ALA A 79 -9.465 -2.032 -3.656 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.884 -3.005 -1.472 1.00 0.00 C ATOM 0 H ALA A 79 -11.337 -5.369 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.739 -3.048 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.906 -1.916 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.904 -3.389 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.346 -3.391 -0.606 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.884 -3.470 -2.011 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.491 -3.057 -1.990 1.00 0.00 C ATOM 1247 C ALA A 80 -6.997 -2.870 -3.426 1.00 0.00 C ATOM 1248 O ALA A 80 -6.480 -1.810 -3.775 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.664 -4.088 -1.219 1.00 0.00 C ATOM 0 H ALA A 80 -9.122 -4.202 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.382 -2.102 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.619 -3.778 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.036 -4.162 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.747 -5.059 -1.707 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.175 -3.916 -4.220 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.754 -3.880 -5.610 1.00 0.00 C ATOM 1257 C ASP A 81 -7.492 -2.751 -6.333 1.00 0.00 C ATOM 1258 O ASP A 81 -6.911 -2.059 -7.167 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.088 -5.193 -6.321 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.664 -5.260 -7.789 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -5.921 -4.345 -8.208 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -7.092 -6.224 -8.460 1.00 0.00 O ATOM 0 H ASP A 81 -7.605 -4.793 -3.927 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.676 -3.722 -5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.610 -6.012 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.164 -5.357 -6.261 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.762 -2.600 -5.986 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.585 -1.567 -6.591 1.00 0.00 C ATOM 1269 C ASP A 82 -8.898 -0.210 -6.424 1.00 0.00 C ATOM 1270 O ASP A 82 -8.511 0.419 -7.408 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.956 -1.489 -5.916 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.129 -1.224 -6.862 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.891 -1.271 -8.088 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -13.237 -0.979 -6.337 1.00 0.00 O ATOM 0 H ASP A 82 -9.241 -3.176 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.715 -1.814 -7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.138 -2.425 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.930 -0.700 -5.164 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.768 0.201 -5.171 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.134 1.472 -4.863 1.00 0.00 C ATOM 1281 C ILE A 83 -6.717 1.484 -5.439 1.00 0.00 C ATOM 1282 O ILE A 83 -6.268 2.497 -5.972 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.189 1.747 -3.359 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.633 1.755 -2.855 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.453 3.042 -3.011 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.776 0.913 -1.585 1.00 0.00 C ATOM 0 H ILE A 83 -9.091 -0.323 -4.358 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.676 2.292 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.674 0.936 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.946 2.780 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.294 1.366 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.507 3.214 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.409 2.960 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.918 3.877 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.812 0.936 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.486 -0.116 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.132 1.319 -0.805 1.00 0.00 H new ATOM 1298 N HIS A 84 -6.052 0.345 -5.313 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.695 0.211 -5.815 1.00 0.00 C ATOM 1300 C HIS A 84 -4.670 0.513 -7.315 1.00 0.00 C ATOM 1301 O HIS A 84 -3.729 1.128 -7.812 1.00 0.00 O ATOM 1302 CB HIS A 84 -4.125 -1.168 -5.478 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.172 -1.710 -6.518 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.430 -2.859 -7.244 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -1.963 -1.247 -6.945 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.414 -3.070 -8.068 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.505 -2.070 -7.881 1.00 0.00 N ATOM 0 H HIS A 84 -6.428 -0.494 -4.870 1.00 0.00 H new ATOM 0 HA HIS A 84 -4.048 0.937 -5.323 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.608 -1.112 -4.520 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.949 -1.870 -5.354 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -4.261 -3.444 -7.159 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.463 -0.361 -6.583 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.322 -3.890 -8.765 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.717 0.066 -7.993 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.828 0.280 -9.426 1.00 0.00 C ATOM 1317 C ARG A 85 -5.999 1.770 -9.728 1.00 0.00 C ATOM 1318 O ARG A 85 -5.284 2.325 -10.561 1.00 0.00 O ATOM 1319 CB ARG A 85 -7.014 -0.491 -10.008 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.649 -1.957 -10.248 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.740 -2.103 -11.470 1.00 0.00 C ATOM 1322 NE ARG A 85 -5.340 -3.519 -11.637 1.00 0.00 N ATOM 1323 CZ ARG A 85 -6.144 -4.474 -12.123 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -7.396 -4.172 -12.492 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -5.696 -5.732 -12.239 1.00 0.00 N ATOM 0 H ARG A 85 -6.496 -0.444 -7.576 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.911 -0.085 -9.888 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.862 -0.430 -9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.326 -0.032 -10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.148 -2.360 -9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.557 -2.542 -10.394 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.259 -1.755 -12.363 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.855 -1.478 -11.352 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.393 -3.784 -11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.737 -3.215 -12.403 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.008 -4.899 -12.862 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.743 -5.962 -11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.308 -6.459 -12.609 1.00 0.00 H new ATOM 1339 N SER A 86 -6.951 2.376 -9.034 1.00 0.00 N ATOM 1340 CA SER A 86 -7.226 3.791 -9.217 1.00 0.00 C ATOM 1341 C SER A 86 -5.933 4.598 -9.079 1.00 0.00 C ATOM 1342 O SER A 86 -5.741 5.595 -9.773 1.00 0.00 O ATOM 1343 CB SER A 86 -8.269 4.285 -8.212 1.00 0.00 C ATOM 1344 OG SER A 86 -7.717 4.455 -6.910 1.00 0.00 O ATOM 0 H SER A 86 -7.542 1.913 -8.344 1.00 0.00 H new ATOM 0 HA SER A 86 -7.631 3.933 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.684 5.232 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.094 3.574 -8.166 1.00 0.00 H new ATOM 0 HG SER A 86 -7.321 3.610 -6.610 1.00 0.00 H new ATOM 1350 N LEU A 87 -5.078 4.136 -8.178 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.809 4.801 -7.939 1.00 0.00 C ATOM 1352 C LEU A 87 -2.866 4.526 -9.112 1.00 0.00 C ATOM 1353 O LEU A 87 -2.136 5.415 -9.549 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.236 4.393 -6.581 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.428 5.397 -5.443 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.014 4.791 -4.100 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.687 6.704 -5.734 1.00 0.00 C ATOM 0 H LEU A 87 -5.240 3.308 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.949 5.881 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.692 3.448 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.168 4.209 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.489 5.636 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.161 5.526 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.623 3.911 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.963 4.504 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.840 7.400 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.622 6.501 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.071 7.143 -6.655 1.00 0.00 H new ATOM 1369 N MET A 88 -2.911 3.290 -9.589 1.00 0.00 N ATOM 1370 CA MET A 88 -2.070 2.887 -10.703 1.00 0.00 C ATOM 1371 C MET A 88 -2.511 3.569 -11.999 1.00 0.00 C ATOM 1372 O MET A 88 -1.824 3.481 -13.016 1.00 0.00 O ATOM 1373 CB MET A 88 -2.143 1.368 -10.874 1.00 0.00 C ATOM 1374 CG MET A 88 -1.037 0.672 -10.079 1.00 0.00 C ATOM 1375 SD MET A 88 0.290 0.191 -11.171 1.00 0.00 S ATOM 1376 CE MET A 88 1.696 0.681 -10.186 1.00 0.00 C ATOM 0 H MET A 88 -3.517 2.555 -9.224 1.00 0.00 H new ATOM 0 HA MET A 88 -1.045 3.189 -10.488 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.116 1.008 -10.541 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.052 1.113 -11.930 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.658 1.340 -9.306 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.439 -0.206 -9.573 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.462 1.110 -10.833 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.384 1.423 -9.451 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.101 -0.190 -9.672 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.655 4.233 -11.921 1.00 0.00 N ATOM 1387 CA VAL A 89 -4.196 4.930 -13.075 1.00 0.00 C ATOM 1388 C VAL A 89 -3.469 6.266 -13.246 1.00 0.00 C ATOM 1389 O VAL A 89 -2.840 6.507 -14.274 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.711 5.088 -12.928 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -6.277 5.991 -14.027 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.406 3.725 -12.926 1.00 0.00 C ATOM 0 H VAL A 89 -4.222 4.303 -11.076 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.030 4.351 -13.983 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.907 5.566 -11.968 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.355 6.087 -13.900 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.815 6.976 -13.962 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.064 5.554 -15.003 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.482 3.865 -12.820 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.198 3.209 -13.863 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.034 3.128 -12.093 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.581 7.099 -12.221 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.943 8.404 -12.245 1.00 0.00 C ATOM 1404 C ASP A 90 -1.591 8.319 -11.533 1.00 0.00 C ATOM 1405 O ASP A 90 -0.543 8.418 -12.170 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.794 9.447 -11.518 1.00 0.00 C ATOM 1407 CG ASP A 90 -4.985 9.980 -12.318 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -4.729 10.591 -13.378 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -6.124 9.764 -11.850 1.00 0.00 O ATOM 0 H ASP A 90 -4.104 6.895 -11.369 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.821 8.700 -13.287 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.165 9.010 -10.591 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.156 10.286 -11.242 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.658 8.136 -10.223 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.452 8.036 -9.418 1.00 0.00 C ATOM 1416 C HIS A 91 0.160 6.644 -9.581 1.00 0.00 C ATOM 1417 O HIS A 91 0.262 5.889 -8.615 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.743 8.389 -7.958 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.614 9.610 -7.783 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.096 10.885 -7.635 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.971 9.738 -7.734 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.105 11.734 -7.503 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.266 11.021 -7.564 1.00 0.00 N ATOM 0 H HIS A 91 -2.529 8.054 -9.698 1.00 0.00 H new ATOM 0 HA HIS A 91 0.284 8.761 -9.767 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.227 7.538 -7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.202 8.552 -7.439 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -0.106 11.130 -7.629 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.685 8.932 -7.819 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.022 12.803 -7.370 1.00 0.00 H new ATOM 1431 N VAL A 92 0.551 6.345 -10.811 1.00 0.00 N ATOM 1432 CA VAL A 92 1.150 5.056 -11.114 1.00 0.00 C ATOM 1433 C VAL A 92 2.639 5.095 -10.760 1.00 0.00 C ATOM 1434 O VAL A 92 3.161 4.161 -10.153 1.00 0.00 O ATOM 1435 CB VAL A 92 0.893 4.689 -12.576 1.00 0.00 C ATOM 1436 CG1 VAL A 92 1.731 5.559 -13.516 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.157 3.203 -12.824 1.00 0.00 C ATOM 0 H VAL A 92 0.465 6.973 -11.610 1.00 0.00 H new ATOM 0 HA VAL A 92 0.692 4.271 -10.511 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.158 4.882 -12.789 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.529 5.277 -14.549 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.472 6.608 -13.369 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.789 5.413 -13.300 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.966 2.969 -13.872 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.195 2.973 -12.584 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.498 2.606 -12.194 1.00 0.00 H new ATOM 1447 N THR A 93 3.279 6.185 -11.155 1.00 0.00 N ATOM 1448 CA THR A 93 4.697 6.358 -10.888 1.00 0.00 C ATOM 1449 C THR A 93 4.933 6.598 -9.395 1.00 0.00 C ATOM 1450 O THR A 93 5.803 5.972 -8.792 1.00 0.00 O ATOM 1451 CB THR A 93 5.210 7.495 -11.774 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.755 6.830 -12.911 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.407 8.223 -11.159 1.00 0.00 C ATOM 0 H THR A 93 2.842 6.957 -11.658 1.00 0.00 H new ATOM 0 HA THR A 93 5.258 5.457 -11.134 1.00 0.00 H new ATOM 0 HB THR A 93 4.405 8.208 -11.952 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.109 7.493 -13.539 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.731 9.020 -11.828 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.119 8.650 -10.199 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.225 7.518 -11.011 1.00 0.00 H new ATOM 1461 N GLU A 94 4.142 7.506 -8.842 1.00 0.00 N ATOM 1462 CA GLU A 94 4.254 7.836 -7.432 1.00 0.00 C ATOM 1463 C GLU A 94 4.309 6.559 -6.590 1.00 0.00 C ATOM 1464 O GLU A 94 5.252 6.354 -5.828 1.00 0.00 O ATOM 1465 CB GLU A 94 3.100 8.737 -6.986 1.00 0.00 C ATOM 1466 CG GLU A 94 3.461 10.214 -7.156 1.00 0.00 C ATOM 1467 CD GLU A 94 2.413 11.114 -6.498 1.00 0.00 C ATOM 1468 OE1 GLU A 94 2.418 11.171 -5.249 1.00 0.00 O ATOM 1469 OE2 GLU A 94 1.631 11.723 -7.259 1.00 0.00 O ATOM 0 H GLU A 94 3.421 8.023 -9.345 1.00 0.00 H new ATOM 0 HA GLU A 94 5.182 8.388 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.208 8.507 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.859 8.536 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.439 10.406 -6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.537 10.454 -8.217 1.00 0.00 H new ATOM 1476 N VAL A 95 3.286 5.734 -6.758 1.00 0.00 N ATOM 1477 CA VAL A 95 3.206 4.483 -6.024 1.00 0.00 C ATOM 1478 C VAL A 95 4.375 3.583 -6.429 1.00 0.00 C ATOM 1479 O VAL A 95 4.896 2.829 -5.608 1.00 0.00 O ATOM 1480 CB VAL A 95 1.841 3.829 -6.252 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.706 4.789 -5.891 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.704 3.334 -7.693 1.00 0.00 C ATOM 0 H VAL A 95 2.506 5.908 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 95 3.291 4.663 -4.952 1.00 0.00 H new ATOM 0 HB VAL A 95 1.770 2.964 -5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.253 4.300 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.787 5.070 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.773 5.682 -6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.725 2.874 -7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.807 4.176 -8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.482 2.600 -7.901 1.00 0.00 H new ATOM 1492 N SER A 96 4.754 3.692 -7.694 1.00 0.00 N ATOM 1493 CA SER A 96 5.852 2.897 -8.217 1.00 0.00 C ATOM 1494 C SER A 96 7.080 3.044 -7.316 1.00 0.00 C ATOM 1495 O SER A 96 7.084 3.858 -6.394 1.00 0.00 O ATOM 1496 CB SER A 96 6.194 3.308 -9.651 1.00 0.00 C ATOM 1497 OG SER A 96 7.244 4.270 -9.695 1.00 0.00 O ATOM 0 H SER A 96 4.320 4.319 -8.372 1.00 0.00 H new ATOM 0 HA SER A 96 5.542 1.852 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.486 2.426 -10.221 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.306 3.718 -10.132 1.00 0.00 H new ATOM 0 HG SER A 96 7.067 4.977 -9.040 1.00 0.00 H new ATOM 1503 N GLN A 97 8.092 2.242 -7.614 1.00 0.00 N ATOM 1504 CA GLN A 97 9.322 2.272 -6.843 1.00 0.00 C ATOM 1505 C GLN A 97 9.108 1.620 -5.476 1.00 0.00 C ATOM 1506 O GLN A 97 10.013 1.602 -4.643 1.00 0.00 O ATOM 1507 CB GLN A 97 9.840 3.704 -6.692 1.00 0.00 C ATOM 1508 CG GLN A 97 11.161 3.891 -7.440 1.00 0.00 C ATOM 1509 CD GLN A 97 11.478 5.376 -7.632 1.00 0.00 C ATOM 1510 OE1 GLN A 97 10.600 6.209 -7.790 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.777 5.660 -7.608 1.00 0.00 N ATOM 0 H GLN A 97 8.085 1.568 -8.379 1.00 0.00 H new ATOM 0 HA GLN A 97 10.079 1.702 -7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.099 4.405 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.980 3.934 -5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.968 3.412 -6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.106 3.399 -8.411 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.460 4.914 -7.472 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.091 6.623 -7.726 1.00 0.00 H new ATOM 1520 N TRP A 98 7.904 1.099 -5.286 1.00 0.00 N ATOM 1521 CA TRP A 98 7.559 0.447 -4.034 1.00 0.00 C ATOM 1522 C TRP A 98 6.229 -0.283 -4.232 1.00 0.00 C ATOM 1523 O TRP A 98 6.071 -1.421 -3.795 1.00 0.00 O ATOM 1524 CB TRP A 98 7.523 1.455 -2.883 1.00 0.00 C ATOM 1525 CG TRP A 98 6.494 2.572 -3.067 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.665 3.762 -3.660 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.119 2.556 -2.628 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.506 4.510 -3.635 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.536 3.754 -2.987 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.393 1.562 -1.949 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.200 4.070 -2.711 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 3.059 1.893 -1.680 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.457 3.094 -2.035 1.00 0.00 C ATOM 0 H TRP A 98 7.155 1.115 -5.979 1.00 0.00 H new ATOM 0 HA TRP A 98 8.319 -0.284 -3.757 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.307 0.925 -1.956 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.512 1.900 -2.772 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.593 4.093 -4.102 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.383 5.446 -4.021 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.829 0.618 -1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.766 5.015 -3.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.456 1.163 -1.160 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.421 3.274 -1.791 1.00 0.00 H new ATOM 1544 N MET A 99 5.307 0.403 -4.892 1.00 0.00 N ATOM 1545 CA MET A 99 3.996 -0.166 -5.153 1.00 0.00 C ATOM 1546 C MET A 99 4.097 -1.664 -5.448 1.00 0.00 C ATOM 1547 O MET A 99 3.398 -2.470 -4.834 1.00 0.00 O ATOM 1548 CB MET A 99 3.358 0.547 -6.346 1.00 0.00 C ATOM 1549 CG MET A 99 2.085 -0.172 -6.799 1.00 0.00 C ATOM 1550 SD MET A 99 1.034 -0.496 -5.393 1.00 0.00 S ATOM 1551 CE MET A 99 0.235 1.092 -5.231 1.00 0.00 C ATOM 0 H MET A 99 5.442 1.347 -5.254 1.00 0.00 H new ATOM 0 HA MET A 99 3.379 -0.030 -4.265 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.122 1.576 -6.075 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.069 0.590 -7.171 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.553 0.438 -7.528 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.343 -1.108 -7.294 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.813 0.947 -4.969 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.728 1.669 -4.449 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.302 1.631 -6.176 1.00 0.00 H new ATOM 1561 N VAL A 100 4.972 -1.992 -6.387 1.00 0.00 N ATOM 1562 CA VAL A 100 5.174 -3.379 -6.770 1.00 0.00 C ATOM 1563 C VAL A 100 5.137 -4.260 -5.520 1.00 0.00 C ATOM 1564 O VAL A 100 4.492 -5.307 -5.513 1.00 0.00 O ATOM 1565 CB VAL A 100 6.475 -3.519 -7.562 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.409 -2.728 -8.870 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.678 -3.087 -6.721 1.00 0.00 C ATOM 0 H VAL A 100 5.549 -1.321 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 100 4.372 -3.714 -7.427 1.00 0.00 H new ATOM 0 HB VAL A 100 6.602 -4.572 -7.813 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.347 -2.845 -9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.587 -3.102 -9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.246 -1.673 -8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.590 -3.196 -7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.560 -2.045 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.742 -3.712 -5.830 1.00 0.00 H new ATOM 1577 N GLY A 101 5.838 -3.804 -4.493 1.00 0.00 N ATOM 1578 CA GLY A 101 5.894 -4.537 -3.240 1.00 0.00 C ATOM 1579 C GLY A 101 4.490 -4.762 -2.673 1.00 0.00 C ATOM 1580 O GLY A 101 4.111 -5.894 -2.376 1.00 0.00 O ATOM 0 H GLY A 101 6.372 -2.935 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.384 -5.497 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.497 -3.986 -2.519 1.00 0.00 H new ATOM 1584 N VAL A 102 3.757 -3.666 -2.541 1.00 0.00 N ATOM 1585 CA VAL A 102 2.404 -3.730 -2.016 1.00 0.00 C ATOM 1586 C VAL A 102 1.571 -4.681 -2.877 1.00 0.00 C ATOM 1587 O VAL A 102 0.949 -5.608 -2.361 1.00 0.00 O ATOM 1588 CB VAL A 102 1.809 -2.323 -1.932 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.336 -2.375 -1.521 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.615 -1.443 -0.975 1.00 0.00 C ATOM 0 H VAL A 102 4.075 -2.729 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 102 2.406 -4.129 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 102 1.864 -1.876 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.063 -1.362 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.227 -2.949 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.247 -2.851 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.171 -0.448 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.606 -1.886 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.643 -1.367 -1.329 1.00 0.00 H new ATOM 1600 N LYS A 103 1.587 -4.419 -4.176 1.00 0.00 N ATOM 1601 CA LYS A 103 0.841 -5.240 -5.114 1.00 0.00 C ATOM 1602 C LYS A 103 0.965 -6.710 -4.710 1.00 0.00 C ATOM 1603 O LYS A 103 -0.013 -7.454 -4.751 1.00 0.00 O ATOM 1604 CB LYS A 103 1.290 -4.957 -6.549 1.00 0.00 C ATOM 1605 CG LYS A 103 0.588 -5.890 -7.538 1.00 0.00 C ATOM 1606 CD LYS A 103 0.633 -5.320 -8.957 1.00 0.00 C ATOM 1607 CE LYS A 103 0.057 -6.315 -9.966 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.070 -7.331 -10.329 1.00 0.00 N ATOM 0 H LYS A 103 2.105 -3.650 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.219 -4.988 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.072 -3.920 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.370 -5.084 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.065 -6.870 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.448 -6.035 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.068 -4.388 -8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.662 -5.080 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.821 -6.803 -9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.272 -5.786 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.662 -7.998 -11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.896 -6.862 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.364 -7.848 -9.476 1.00 0.00 H new ATOM 1622 N ARG A 104 2.177 -7.085 -4.328 1.00 0.00 N ATOM 1623 CA ARG A 104 2.443 -8.453 -3.916 1.00 0.00 C ATOM 1624 C ARG A 104 1.844 -8.717 -2.533 1.00 0.00 C ATOM 1625 O ARG A 104 1.130 -9.700 -2.339 1.00 0.00 O ATOM 1626 CB ARG A 104 3.946 -8.735 -3.876 1.00 0.00 C ATOM 1627 CG ARG A 104 4.220 -10.212 -3.586 1.00 0.00 C ATOM 1628 CD ARG A 104 3.846 -11.084 -4.786 1.00 0.00 C ATOM 1629 NE ARG A 104 4.948 -11.086 -5.773 1.00 0.00 N ATOM 1630 CZ ARG A 104 5.053 -10.212 -6.783 1.00 0.00 C ATOM 1631 NH1 ARG A 104 4.123 -9.261 -6.945 1.00 0.00 N ATOM 1632 NH2 ARG A 104 6.088 -10.289 -7.631 1.00 0.00 N ATOM 0 H ARG A 104 2.986 -6.465 -4.295 1.00 0.00 H new ATOM 0 HA ARG A 104 1.981 -9.115 -4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.397 -8.458 -4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.415 -8.117 -3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.274 -10.350 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.650 -10.527 -2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.640 -12.102 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.933 -10.708 -5.248 1.00 0.00 H new ATOM 0 HE ARG A 104 5.673 -11.797 -5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.335 -9.203 -6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.203 -8.595 -7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.796 -11.013 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.168 -9.624 -8.400 1.00 0.00 H new ATOM 1646 N LEU A 105 2.156 -7.822 -1.608 1.00 0.00 N ATOM 1647 CA LEU A 105 1.657 -7.945 -0.249 1.00 0.00 C ATOM 1648 C LEU A 105 0.180 -8.341 -0.286 1.00 0.00 C ATOM 1649 O LEU A 105 -0.205 -9.367 0.272 1.00 0.00 O ATOM 1650 CB LEU A 105 1.931 -6.663 0.541 1.00 0.00 C ATOM 1651 CG LEU A 105 1.670 -6.735 2.047 1.00 0.00 C ATOM 1652 CD1 LEU A 105 2.940 -6.421 2.839 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.506 -5.824 2.445 1.00 0.00 C ATOM 0 H LEU A 105 2.748 -7.008 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 105 2.186 -8.737 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.972 -6.380 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.318 -5.864 0.124 1.00 0.00 H new ATOM 0 HG LEU A 105 1.380 -7.756 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.727 -6.479 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.716 -7.143 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.284 -5.417 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.341 -5.893 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.743 -4.794 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.396 -6.135 1.919 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.607 -7.506 -0.949 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.033 -7.756 -1.066 1.00 0.00 C ATOM 1667 C ILE A 106 -2.266 -9.247 -1.321 1.00 0.00 C ATOM 1668 O ILE A 106 -2.805 -9.950 -0.467 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.651 -6.847 -2.130 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.497 -5.373 -1.749 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.111 -7.222 -2.391 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.433 -4.488 -2.995 1.00 0.00 C ATOM 0 H ILE A 106 -0.284 -6.656 -1.411 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.541 -7.508 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.108 -6.997 -3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.335 -5.066 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.592 -5.239 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.526 -6.560 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.165 -8.254 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.683 -7.120 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.324 -3.446 -2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.580 -4.782 -3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.350 -4.605 -3.572 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.849 -9.686 -2.499 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.005 -11.080 -2.877 1.00 0.00 C ATOM 1686 C ALA A 107 -1.632 -11.970 -1.690 1.00 0.00 C ATOM 1687 O ALA A 107 -2.419 -12.821 -1.276 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.155 -11.372 -4.114 1.00 0.00 C ATOM 0 H ALA A 107 -1.403 -9.100 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.042 -11.294 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.272 -12.418 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.479 -10.735 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.107 -11.172 -3.891 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.432 -11.744 -1.175 1.00 0.00 N ATOM 1695 CA GLU A 108 0.054 -12.515 -0.044 1.00 0.00 C ATOM 1696 C GLU A 108 -0.979 -12.513 1.084 1.00 0.00 C ATOM 1697 O GLU A 108 -1.577 -13.545 1.385 1.00 0.00 O ATOM 1698 CB GLU A 108 1.401 -11.980 0.446 1.00 0.00 C ATOM 1699 CG GLU A 108 2.506 -12.258 -0.576 1.00 0.00 C ATOM 1700 CD GLU A 108 2.559 -13.745 -0.935 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.242 -14.557 -0.039 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.914 -14.035 -2.098 1.00 0.00 O ATOM 0 H GLU A 108 0.218 -11.038 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 108 0.205 -13.544 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.327 -10.907 0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.656 -12.445 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.330 -11.669 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.468 -11.943 -0.172 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.158 -11.342 1.677 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.109 -11.192 2.766 1.00 0.00 C ATOM 1711 C LYS A 109 -3.399 -11.937 2.416 1.00 0.00 C ATOM 1712 O LYS A 109 -3.927 -12.689 3.235 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.323 -9.712 3.090 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.063 -9.097 3.703 1.00 0.00 C ATOM 1715 CD LYS A 109 -0.861 -9.579 5.141 1.00 0.00 C ATOM 1716 CE LYS A 109 -1.984 -9.076 6.050 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.706 -10.215 6.661 1.00 0.00 N ATOM 0 H LYS A 109 -0.661 -10.488 1.424 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.718 -11.641 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.590 -9.172 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.158 -9.605 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.194 -9.363 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.140 -8.010 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.831 -10.668 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.100 -9.226 5.515 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.570 -8.439 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.679 -8.464 5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.465 -9.856 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.118 -10.807 5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.043 -10.783 7.226 1.00 0.00 H new ATOM 1731 N LYS A 110 -3.869 -11.703 1.200 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.087 -12.343 0.733 1.00 0.00 C ATOM 1733 C LYS A 110 -4.950 -13.859 0.879 1.00 0.00 C ATOM 1734 O LYS A 110 -5.751 -14.496 1.561 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.419 -11.889 -0.690 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.517 -12.761 -1.302 1.00 0.00 C ATOM 1737 CD LYS A 110 -6.782 -12.369 -2.757 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.274 -12.452 -3.084 1.00 0.00 C ATOM 1739 NZ LYS A 110 -8.750 -11.176 -3.663 1.00 0.00 N ATOM 0 H LYS A 110 -3.429 -11.079 0.524 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.936 -12.039 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.741 -10.848 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.523 -11.938 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.224 -13.810 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.434 -12.658 -0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.423 -11.355 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.223 -13.027 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.454 -13.266 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.838 -12.681 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.488 -10.771 -3.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.955 -10.509 -3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.142 -11.350 -4.610 1.00 0.00 H new ATOM 1753 N SER A 111 -3.928 -14.394 0.227 1.00 0.00 N ATOM 1754 CA SER A 111 -3.675 -15.824 0.275 1.00 0.00 C ATOM 1755 C SER A 111 -3.788 -16.327 1.716 1.00 0.00 C ATOM 1756 O SER A 111 -4.549 -17.252 1.997 1.00 0.00 O ATOM 1757 CB SER A 111 -2.297 -16.160 -0.298 1.00 0.00 C ATOM 1758 OG SER A 111 -2.375 -17.118 -1.350 1.00 0.00 O ATOM 0 H SER A 111 -3.265 -13.863 -0.338 1.00 0.00 H new ATOM 0 HA SER A 111 -4.425 -16.324 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.828 -15.250 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.658 -16.545 0.497 1.00 0.00 H new ATOM 0 HG SER A 111 -1.475 -17.304 -1.690 1.00 0.00 H new ATOM 1764 N LEU A 112 -3.019 -15.696 2.591 1.00 0.00 N ATOM 1765 CA LEU A 112 -3.023 -16.067 3.995 1.00 0.00 C ATOM 1766 C LEU A 112 -4.463 -16.304 4.452 1.00 0.00 C ATOM 1767 O LEU A 112 -4.775 -17.352 5.017 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.278 -15.022 4.828 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.751 -15.052 4.733 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.189 -13.651 4.487 1.00 0.00 C ATOM 1771 CD2 LEU A 112 -0.137 -15.706 5.973 1.00 0.00 C ATOM 0 H LEU A 112 -2.389 -14.930 2.354 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.483 -17.002 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.622 -14.033 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.560 -15.151 5.873 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.475 -15.665 3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.898 -13.701 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.589 -13.257 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.475 -12.995 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.949 -15.715 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.421 -15.141 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.501 -16.729 6.063 1.00 0.00 H new ATOM 1783 N SER A 113 -5.304 -15.314 4.190 1.00 0.00 N ATOM 1784 CA SER A 113 -6.705 -15.402 4.567 1.00 0.00 C ATOM 1785 C SER A 113 -7.247 -16.795 4.242 1.00 0.00 C ATOM 1786 O SER A 113 -7.650 -17.534 5.140 1.00 0.00 O ATOM 1787 CB SER A 113 -7.534 -14.330 3.857 1.00 0.00 C ATOM 1788 OG SER A 113 -8.738 -14.035 4.560 1.00 0.00 O ATOM 0 H SER A 113 -5.042 -14.447 3.721 1.00 0.00 H new ATOM 0 HA SER A 113 -6.783 -15.231 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.941 -13.421 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.776 -14.667 2.849 1.00 0.00 H new ATOM 0 HG SER A 113 -9.239 -13.345 4.076 1.00 0.00 H new ATOM 1794 N GLY A 114 -7.241 -17.113 2.955 1.00 0.00 N ATOM 1795 CA GLY A 114 -7.728 -18.404 2.501 1.00 0.00 C ATOM 1796 C GLY A 114 -7.663 -18.509 0.976 1.00 0.00 C ATOM 1797 O GLY A 114 -6.885 -19.294 0.437 1.00 0.00 O ATOM 0 H GLY A 114 -6.906 -16.498 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.133 -19.199 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.755 -18.547 2.836 1.00 0.00 H new ATOM 1801 N PRO A 115 -8.512 -17.684 0.306 1.00 0.00 N ATOM 1802 CA PRO A 115 -8.558 -17.677 -1.146 1.00 0.00 C ATOM 1803 C PRO A 115 -7.343 -16.955 -1.729 1.00 0.00 C ATOM 1804 O PRO A 115 -6.710 -16.148 -1.049 1.00 0.00 O ATOM 1805 CB PRO A 115 -9.875 -17.001 -1.494 1.00 0.00 C ATOM 1806 CG PRO A 115 -10.296 -16.242 -0.246 1.00 0.00 C ATOM 1807 CD PRO A 115 -9.448 -16.741 0.912 1.00 0.00 C ATOM 0 HA PRO A 115 -8.514 -18.679 -1.574 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -9.755 -16.325 -2.341 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -10.629 -17.736 -1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -10.157 -15.170 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.354 -16.402 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -8.923 -15.920 1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.061 -17.225 1.672 1.00 0.00 H new ATOM 1815 N SER A 116 -7.052 -17.270 -2.983 1.00 0.00 N ATOM 1816 CA SER A 116 -5.924 -16.661 -3.666 1.00 0.00 C ATOM 1817 C SER A 116 -6.305 -16.321 -5.108 1.00 0.00 C ATOM 1818 O SER A 116 -7.133 -17.002 -5.712 1.00 0.00 O ATOM 1819 CB SER A 116 -4.703 -17.583 -3.643 1.00 0.00 C ATOM 1820 OG SER A 116 -3.625 -17.062 -4.416 1.00 0.00 O ATOM 0 H SER A 116 -7.579 -17.940 -3.544 1.00 0.00 H new ATOM 0 HA SER A 116 -5.662 -15.743 -3.141 1.00 0.00 H new ATOM 0 HB2 SER A 116 -4.375 -17.725 -2.613 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.983 -18.564 -4.026 1.00 0.00 H new ATOM 0 HG SER A 116 -2.865 -17.679 -4.374 1.00 0.00 H new ATOM 1826 N SER A 117 -5.684 -15.268 -5.619 1.00 0.00 N ATOM 1827 CA SER A 117 -5.948 -14.830 -6.979 1.00 0.00 C ATOM 1828 C SER A 117 -7.408 -14.393 -7.113 1.00 0.00 C ATOM 1829 O SER A 117 -8.310 -15.067 -6.616 1.00 0.00 O ATOM 1830 CB SER A 117 -5.630 -15.937 -7.986 1.00 0.00 C ATOM 1831 OG SER A 117 -4.239 -16.003 -8.285 1.00 0.00 O ATOM 0 H SER A 117 -4.998 -14.705 -5.115 1.00 0.00 H new ATOM 0 HA SER A 117 -5.300 -13.981 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 117 -5.961 -16.896 -7.587 1.00 0.00 H new ATOM 0 HB3 SER A 117 -6.190 -15.763 -8.905 1.00 0.00 H new ATOM 0 HG SER A 117 -4.077 -16.723 -8.930 1.00 0.00 H new ATOM 1837 N GLY A 118 -7.596 -13.269 -7.788 1.00 0.00 N ATOM 1838 CA GLY A 118 -8.932 -12.734 -7.994 1.00 0.00 C ATOM 1839 C GLY A 118 -9.711 -13.581 -9.003 1.00 0.00 C ATOM 1840 O GLY A 118 -10.908 -13.808 -8.833 1.00 0.00 O ATOM 0 H GLY A 118 -6.846 -12.714 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.468 -12.708 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.865 -11.706 -8.351 1.00 0.00 H new TER 1844 GLY A 118