USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=25 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -8.65! C(o=-8.6!,f=-7.6!) USER MOD Set 2.1: A 29 CYS SG : rot 180:sc= -0.815 USER MOD Set 2.2: A 33 THR OG1 : rot -129:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.043 (180deg=0) USER MOD Single : A 2 SER OG : rot 43:sc= 0.807 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 28:sc= 0.112 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 13 THR OG1 : rot 170:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0292 X(o=-0.029,f=-0.28) USER MOD Single : A 30 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-0.29) USER MOD Single : A 32 HIS : no HD1:sc= -3.52 K(o=-3.5,f=-3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= -0.0365 (180deg=-0.31) USER MOD Single : A 36 GLN : amide:sc= -0.333 K(o=-0.33,f=-2.9!) USER MOD Single : A 38 CYS SG : rot -140:sc= -0.529 USER MOD Single : A 42 SER OG : rot -69:sc= 0.291 USER MOD Single : A 51 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= -0.802 (180deg=-0.883) USER MOD Single : A 65 MET CE :methyl -165:sc= -1.44 (180deg=-2.06) USER MOD Single : A 70 GLN : amide:sc= -2.14 K(o=-2.1,f=-0.97) USER MOD Single : A 74 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.028) USER MOD Single : A 75 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-1.7!) USER MOD Single : A 76 GLN : amide:sc=-0.00961 K(o=-0.0096,f=-1.8!) USER MOD Single : A 84 HIS : no HE2:sc= -2.73 K(o=-2.7,f=-3.5!) USER MOD Single : A 86 SER OG : rot 69:sc= 0.00373 USER MOD Single : A 88 MET CE :methyl 168:sc= 0 (180deg=-0.188) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -127:sc= -0.0543 USER MOD Single : A 97 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.2) USER MOD Single : A 99 MET CE :methyl 176:sc= -0.92 (180deg=-0.938) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 27:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.194 -7.526 1.959 1.00 0.00 N ATOM 2 CA GLY A 1 -32.829 -6.157 2.279 1.00 0.00 C ATOM 3 C GLY A 1 -32.842 -5.279 1.026 1.00 0.00 C ATOM 4 O GLY A 1 -33.605 -5.532 0.095 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.875 -7.877 2.662 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.625 -7.558 1.013 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.343 -8.124 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.523 -5.755 3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.837 -6.137 2.731 1.00 0.00 H new ATOM 8 N SER A 2 -31.989 -4.265 1.044 1.00 0.00 N ATOM 9 CA SER A 2 -31.893 -3.349 -0.079 1.00 0.00 C ATOM 10 C SER A 2 -30.698 -2.411 0.111 1.00 0.00 C ATOM 11 O SER A 2 -30.830 -1.347 0.712 1.00 0.00 O ATOM 12 CB SER A 2 -33.181 -2.540 -0.242 1.00 0.00 C ATOM 13 OG SER A 2 -33.475 -1.765 0.917 1.00 0.00 O ATOM 0 H SER A 2 -31.358 -4.058 1.819 1.00 0.00 H new ATOM 0 HA SER A 2 -31.747 -3.935 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.088 -1.881 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.011 -3.217 -0.446 1.00 0.00 H new ATOM 0 HG SER A 2 -32.652 -1.350 1.250 1.00 0.00 H new ATOM 19 N SER A 3 -29.560 -2.842 -0.414 1.00 0.00 N ATOM 20 CA SER A 3 -28.343 -2.054 -0.309 1.00 0.00 C ATOM 21 C SER A 3 -28.363 -0.922 -1.338 1.00 0.00 C ATOM 22 O SER A 3 -28.095 -1.145 -2.517 1.00 0.00 O ATOM 23 CB SER A 3 -27.103 -2.928 -0.506 1.00 0.00 C ATOM 24 OG SER A 3 -26.363 -3.085 0.702 1.00 0.00 O ATOM 0 H SER A 3 -29.455 -3.726 -0.913 1.00 0.00 H new ATOM 0 HA SER A 3 -28.297 -1.626 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.405 -3.908 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.463 -2.483 -1.268 1.00 0.00 H new ATOM 0 HG SER A 3 -25.580 -3.651 0.535 1.00 0.00 H new ATOM 30 N GLY A 4 -28.683 0.269 -0.853 1.00 0.00 N ATOM 31 CA GLY A 4 -28.741 1.437 -1.716 1.00 0.00 C ATOM 32 C GLY A 4 -27.335 1.925 -2.073 1.00 0.00 C ATOM 33 O GLY A 4 -26.586 1.226 -2.753 1.00 0.00 O ATOM 0 H GLY A 4 -28.905 0.450 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.288 1.194 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.291 2.235 -1.218 1.00 0.00 H new ATOM 37 N SER A 5 -27.021 3.122 -1.598 1.00 0.00 N ATOM 38 CA SER A 5 -25.719 3.711 -1.859 1.00 0.00 C ATOM 39 C SER A 5 -25.195 4.402 -0.598 1.00 0.00 C ATOM 40 O SER A 5 -25.927 5.143 0.057 1.00 0.00 O ATOM 41 CB SER A 5 -25.787 4.706 -3.019 1.00 0.00 C ATOM 42 OG SER A 5 -26.659 5.797 -2.737 1.00 0.00 O ATOM 0 H SER A 5 -27.645 3.699 -1.035 1.00 0.00 H new ATOM 0 HA SER A 5 -25.033 2.912 -2.140 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.787 5.086 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.128 4.192 -3.918 1.00 0.00 H new ATOM 0 HG SER A 5 -26.694 5.946 -1.769 1.00 0.00 H new ATOM 48 N SER A 6 -23.933 4.135 -0.296 1.00 0.00 N ATOM 49 CA SER A 6 -23.304 4.721 0.875 1.00 0.00 C ATOM 50 C SER A 6 -22.232 5.726 0.445 1.00 0.00 C ATOM 51 O SER A 6 -21.712 5.646 -0.667 1.00 0.00 O ATOM 52 CB SER A 6 -22.691 3.642 1.770 1.00 0.00 C ATOM 53 OG SER A 6 -23.569 3.263 2.826 1.00 0.00 O ATOM 0 H SER A 6 -23.329 3.521 -0.842 1.00 0.00 H new ATOM 0 HA SER A 6 -24.070 5.240 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.449 2.766 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.755 4.009 2.191 1.00 0.00 H new ATOM 0 HG SER A 6 -23.142 2.571 3.374 1.00 0.00 H new ATOM 59 N GLY A 7 -21.934 6.648 1.348 1.00 0.00 N ATOM 60 CA GLY A 7 -20.935 7.666 1.076 1.00 0.00 C ATOM 61 C GLY A 7 -19.744 7.534 2.028 1.00 0.00 C ATOM 62 O GLY A 7 -19.747 6.684 2.917 1.00 0.00 O ATOM 0 H GLY A 7 -22.367 6.711 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.592 7.578 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.381 8.655 1.181 1.00 0.00 H new ATOM 66 N VAL A 8 -18.754 8.387 1.808 1.00 0.00 N ATOM 67 CA VAL A 8 -17.560 8.376 2.636 1.00 0.00 C ATOM 68 C VAL A 8 -16.989 9.793 2.718 1.00 0.00 C ATOM 69 O VAL A 8 -16.802 10.451 1.696 1.00 0.00 O ATOM 70 CB VAL A 8 -16.556 7.358 2.091 1.00 0.00 C ATOM 71 CG1 VAL A 8 -15.212 7.473 2.813 1.00 0.00 C ATOM 72 CG2 VAL A 8 -17.110 5.935 2.189 1.00 0.00 C ATOM 0 H VAL A 8 -18.754 9.090 1.069 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.802 8.063 3.652 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.391 7.582 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.517 6.739 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.807 8.475 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.354 7.288 3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.377 5.231 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.318 5.697 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.030 5.862 1.610 1.00 0.00 H new ATOM 82 N ILE A 9 -16.727 10.221 3.945 1.00 0.00 N ATOM 83 CA ILE A 9 -16.181 11.548 4.174 1.00 0.00 C ATOM 84 C ILE A 9 -15.112 11.473 5.266 1.00 0.00 C ATOM 85 O ILE A 9 -15.431 11.479 6.453 1.00 0.00 O ATOM 86 CB ILE A 9 -17.303 12.543 4.479 1.00 0.00 C ATOM 87 CG1 ILE A 9 -18.195 12.756 3.254 1.00 0.00 C ATOM 88 CG2 ILE A 9 -16.736 13.861 5.012 1.00 0.00 C ATOM 89 CD1 ILE A 9 -19.480 13.494 3.634 1.00 0.00 C ATOM 0 H ILE A 9 -16.883 9.672 4.790 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.692 11.920 3.274 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.930 12.121 5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.653 13.327 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.443 11.793 2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -17.554 14.551 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -16.177 13.672 5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -16.073 14.300 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -20.096 13.633 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -20.031 12.909 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -19.229 14.467 4.057 1.00 0.00 H new ATOM 101 N GLU A 10 -13.865 11.404 4.824 1.00 0.00 N ATOM 102 CA GLU A 10 -12.746 11.328 5.748 1.00 0.00 C ATOM 103 C GLU A 10 -11.475 11.864 5.088 1.00 0.00 C ATOM 104 O GLU A 10 -10.981 11.285 4.122 1.00 0.00 O ATOM 105 CB GLU A 10 -12.543 9.896 6.247 1.00 0.00 C ATOM 106 CG GLU A 10 -13.137 9.713 7.645 1.00 0.00 C ATOM 107 CD GLU A 10 -13.170 8.234 8.037 1.00 0.00 C ATOM 108 OE1 GLU A 10 -12.070 7.650 8.142 1.00 0.00 O ATOM 109 OE2 GLU A 10 -14.295 7.722 8.224 1.00 0.00 O ATOM 0 H GLU A 10 -13.605 11.399 3.838 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.972 11.951 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.011 9.196 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.479 9.661 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.547 10.272 8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.147 10.123 7.672 1.00 0.00 H new ATOM 116 N SER A 11 -10.980 12.964 5.636 1.00 0.00 N ATOM 117 CA SER A 11 -9.775 13.585 5.112 1.00 0.00 C ATOM 118 C SER A 11 -8.746 13.755 6.231 1.00 0.00 C ATOM 119 O SER A 11 -8.589 14.848 6.774 1.00 0.00 O ATOM 120 CB SER A 11 -10.088 14.937 4.468 1.00 0.00 C ATOM 121 OG SER A 11 -8.938 15.516 3.858 1.00 0.00 O ATOM 0 H SER A 11 -11.392 13.441 6.438 1.00 0.00 H new ATOM 0 HA SER A 11 -9.361 12.934 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.870 14.810 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.478 15.617 5.225 1.00 0.00 H new ATOM 0 HG SER A 11 -9.179 16.377 3.457 1.00 0.00 H new ATOM 127 N GLU A 12 -8.070 12.659 6.542 1.00 0.00 N ATOM 128 CA GLU A 12 -7.060 12.673 7.586 1.00 0.00 C ATOM 129 C GLU A 12 -6.405 11.296 7.710 1.00 0.00 C ATOM 130 O GLU A 12 -7.036 10.342 8.163 1.00 0.00 O ATOM 131 CB GLU A 12 -7.659 13.117 8.923 1.00 0.00 C ATOM 132 CG GLU A 12 -6.636 13.898 9.750 1.00 0.00 C ATOM 133 CD GLU A 12 -5.707 12.949 10.510 1.00 0.00 C ATOM 134 OE1 GLU A 12 -6.248 12.054 11.195 1.00 0.00 O ATOM 135 OE2 GLU A 12 -4.478 13.140 10.390 1.00 0.00 O ATOM 0 H GLU A 12 -8.202 11.755 6.089 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.292 13.396 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.537 13.738 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.994 12.244 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.048 14.541 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.153 14.549 10.455 1.00 0.00 H new ATOM 142 N THR A 13 -5.147 11.235 7.298 1.00 0.00 N ATOM 143 CA THR A 13 -4.399 9.991 7.357 1.00 0.00 C ATOM 144 C THR A 13 -2.963 10.253 7.815 1.00 0.00 C ATOM 145 O THR A 13 -2.353 11.245 7.421 1.00 0.00 O ATOM 146 CB THR A 13 -4.486 9.322 5.984 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.767 8.696 5.983 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.503 8.159 5.836 1.00 0.00 C ATOM 0 H THR A 13 -4.627 12.028 6.922 1.00 0.00 H new ATOM 0 HA THR A 13 -4.823 9.309 8.095 1.00 0.00 H new ATOM 0 HB THR A 13 -4.293 10.062 5.207 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.975 8.377 5.080 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.606 7.720 4.844 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.485 8.525 5.967 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.717 7.403 6.592 1.00 0.00 H new ATOM 156 N LEU A 14 -2.465 9.345 8.642 1.00 0.00 N ATOM 157 CA LEU A 14 -1.112 9.465 9.158 1.00 0.00 C ATOM 158 C LEU A 14 -0.248 8.344 8.576 1.00 0.00 C ATOM 159 O LEU A 14 -0.725 7.229 8.373 1.00 0.00 O ATOM 160 CB LEU A 14 -1.124 9.501 10.688 1.00 0.00 C ATOM 161 CG LEU A 14 -2.014 10.570 11.326 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.524 10.112 12.694 1.00 0.00 C ATOM 163 CD2 LEU A 14 -1.288 11.914 11.405 1.00 0.00 C ATOM 0 H LEU A 14 -2.974 8.523 8.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.666 10.408 8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.444 8.525 11.052 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.102 9.652 11.036 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.886 10.714 10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.154 10.889 13.126 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.105 9.197 12.578 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.677 9.923 13.353 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.943 12.655 11.862 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.386 11.806 12.008 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.016 12.240 10.401 1.00 0.00 H new ATOM 175 N ILE A 15 1.009 8.680 8.326 1.00 0.00 N ATOM 176 CA ILE A 15 1.945 7.716 7.771 1.00 0.00 C ATOM 177 C ILE A 15 2.036 6.506 8.703 1.00 0.00 C ATOM 178 O ILE A 15 2.178 5.374 8.244 1.00 0.00 O ATOM 179 CB ILE A 15 3.295 8.380 7.492 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.241 7.416 6.773 1.00 0.00 C ATOM 181 CG2 ILE A 15 3.910 8.934 8.778 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.567 8.100 6.433 1.00 0.00 C ATOM 0 H ILE A 15 1.401 9.606 8.497 1.00 0.00 H new ATOM 0 HA ILE A 15 1.590 7.351 6.807 1.00 0.00 H new ATOM 0 HB ILE A 15 3.129 9.226 6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.427 6.546 7.403 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.770 7.053 5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.869 9.400 8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.239 9.676 9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.061 8.121 9.489 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.221 7.393 5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.379 8.955 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.047 8.440 7.351 1.00 0.00 H new ATOM 194 N GLU A 16 1.949 6.787 9.995 1.00 0.00 N ATOM 195 CA GLU A 16 2.019 5.735 10.996 1.00 0.00 C ATOM 196 C GLU A 16 0.725 4.919 11.000 1.00 0.00 C ATOM 197 O GLU A 16 0.696 3.798 11.505 1.00 0.00 O ATOM 198 CB GLU A 16 2.306 6.316 12.382 1.00 0.00 C ATOM 199 CG GLU A 16 3.794 6.634 12.546 1.00 0.00 C ATOM 200 CD GLU A 16 4.498 5.553 13.369 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.153 5.435 14.564 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.366 4.871 12.783 1.00 0.00 O ATOM 0 H GLU A 16 1.831 7.727 10.372 1.00 0.00 H new ATOM 0 HA GLU A 16 2.843 5.070 10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.718 7.222 12.529 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.995 5.607 13.149 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.263 6.713 11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.911 7.602 13.034 1.00 0.00 H new ATOM 209 N ASP A 17 -0.313 5.513 10.431 1.00 0.00 N ATOM 210 CA ASP A 17 -1.607 4.855 10.363 1.00 0.00 C ATOM 211 C ASP A 17 -1.698 4.052 9.064 1.00 0.00 C ATOM 212 O ASP A 17 -2.479 3.107 8.967 1.00 0.00 O ATOM 213 CB ASP A 17 -2.746 5.877 10.369 1.00 0.00 C ATOM 214 CG ASP A 17 -3.573 5.916 11.655 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.986 5.612 12.716 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.772 6.251 11.549 1.00 0.00 O ATOM 0 H ASP A 17 -0.285 6.443 10.013 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.701 4.206 11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.326 6.868 10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.412 5.662 9.533 1.00 0.00 H new ATOM 221 N VAL A 18 -0.889 4.459 8.096 1.00 0.00 N ATOM 222 CA VAL A 18 -0.869 3.789 6.807 1.00 0.00 C ATOM 223 C VAL A 18 0.256 2.753 6.793 1.00 0.00 C ATOM 224 O VAL A 18 0.217 1.799 6.018 1.00 0.00 O ATOM 225 CB VAL A 18 -0.745 4.821 5.684 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.788 4.145 4.312 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.831 5.892 5.801 1.00 0.00 C ATOM 0 H VAL A 18 -0.243 5.244 8.179 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.804 3.255 6.639 1.00 0.00 H new ATOM 0 HB VAL A 18 0.223 5.313 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.698 4.900 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.037 3.437 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.734 3.615 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.720 6.613 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.813 5.423 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.735 6.404 6.758 1.00 0.00 H new ATOM 237 N LEU A 19 1.233 2.975 7.660 1.00 0.00 N ATOM 238 CA LEU A 19 2.367 2.072 7.758 1.00 0.00 C ATOM 239 C LEU A 19 2.079 1.010 8.821 1.00 0.00 C ATOM 240 O LEU A 19 2.542 -0.124 8.712 1.00 0.00 O ATOM 241 CB LEU A 19 3.657 2.856 8.006 1.00 0.00 C ATOM 242 CG LEU A 19 4.305 3.490 6.773 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.322 2.539 6.139 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.244 3.947 5.770 1.00 0.00 C ATOM 0 H LEU A 19 1.263 3.768 8.301 1.00 0.00 H new ATOM 0 HA LEU A 19 2.517 1.547 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.446 3.646 8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.382 2.187 8.469 1.00 0.00 H new ATOM 0 HG LEU A 19 4.850 4.379 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.768 3.013 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.103 2.306 6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.821 1.619 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.731 4.394 4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.651 3.090 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.592 4.684 6.240 1.00 0.00 H new ATOM 256 N ARG A 20 1.315 1.416 9.825 1.00 0.00 N ATOM 257 CA ARG A 20 0.959 0.513 10.906 1.00 0.00 C ATOM 258 C ARG A 20 0.462 -0.820 10.344 1.00 0.00 C ATOM 259 O ARG A 20 0.944 -1.881 10.736 1.00 0.00 O ATOM 260 CB ARG A 20 -0.128 1.121 11.795 1.00 0.00 C ATOM 261 CG ARG A 20 0.434 1.500 13.167 1.00 0.00 C ATOM 262 CD ARG A 20 0.768 0.251 13.987 1.00 0.00 C ATOM 263 NE ARG A 20 1.325 0.643 15.301 1.00 0.00 N ATOM 264 CZ ARG A 20 1.301 -0.138 16.389 1.00 0.00 C ATOM 265 NH1 ARG A 20 0.748 -1.357 16.328 1.00 0.00 N ATOM 266 NH2 ARG A 20 1.831 0.300 17.540 1.00 0.00 N ATOM 0 H ARG A 20 0.933 2.358 9.912 1.00 0.00 H new ATOM 0 HA ARG A 20 1.853 0.346 11.506 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.545 2.005 11.312 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.944 0.409 11.916 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.330 2.108 13.042 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.292 2.110 13.705 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.129 -0.352 14.128 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.486 -0.367 13.448 1.00 0.00 H new ATOM 0 HE ARG A 20 1.754 1.565 15.383 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.345 -1.691 15.453 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.730 -1.951 17.157 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.252 1.228 17.587 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.813 -0.294 18.369 1.00 0.00 H new ATOM 280 N PRO A 21 -0.521 -0.719 9.409 1.00 0.00 N ATOM 281 CA PRO A 21 -1.088 -1.904 8.789 1.00 0.00 C ATOM 282 C PRO A 21 -0.124 -2.499 7.761 1.00 0.00 C ATOM 283 O PRO A 21 0.167 -3.694 7.797 1.00 0.00 O ATOM 284 CB PRO A 21 -2.398 -1.437 8.174 1.00 0.00 C ATOM 285 CG PRO A 21 -2.293 0.076 8.070 1.00 0.00 C ATOM 286 CD PRO A 21 -1.115 0.522 8.920 1.00 0.00 C ATOM 0 HA PRO A 21 -1.263 -2.710 9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.551 -1.886 7.193 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.246 -1.728 8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.151 0.378 7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.213 0.547 8.416 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.400 1.100 8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.439 1.158 9.744 1.00 0.00 H new ATOM 294 N LEU A 22 0.344 -1.639 6.868 1.00 0.00 N ATOM 295 CA LEU A 22 1.269 -2.065 5.832 1.00 0.00 C ATOM 296 C LEU A 22 2.361 -2.936 6.456 1.00 0.00 C ATOM 297 O LEU A 22 2.757 -3.949 5.881 1.00 0.00 O ATOM 298 CB LEU A 22 1.809 -0.856 5.065 1.00 0.00 C ATOM 299 CG LEU A 22 1.018 -0.441 3.823 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.458 0.938 3.328 1.00 0.00 C ATOM 301 CD2 LEU A 22 1.121 -1.504 2.727 1.00 0.00 C ATOM 0 H LEU A 22 0.100 -0.649 6.841 1.00 0.00 H new ATOM 0 HA LEU A 22 0.756 -2.679 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.848 -0.006 5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.834 -1.071 4.763 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.034 -0.363 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.880 1.209 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.290 1.677 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.518 0.913 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.550 -1.184 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.166 -1.638 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.721 -2.448 3.097 1.00 0.00 H new ATOM 313 N GLU A 23 2.818 -2.509 7.624 1.00 0.00 N ATOM 314 CA GLU A 23 3.857 -3.237 8.332 1.00 0.00 C ATOM 315 C GLU A 23 3.290 -4.528 8.927 1.00 0.00 C ATOM 316 O GLU A 23 3.889 -5.594 8.791 1.00 0.00 O ATOM 317 CB GLU A 23 4.494 -2.367 9.418 1.00 0.00 C ATOM 318 CG GLU A 23 5.578 -1.463 8.830 1.00 0.00 C ATOM 319 CD GLU A 23 6.379 -0.775 9.938 1.00 0.00 C ATOM 320 OE1 GLU A 23 5.941 0.318 10.359 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.410 -1.357 10.338 1.00 0.00 O ATOM 0 H GLU A 23 2.488 -1.668 8.098 1.00 0.00 H new ATOM 0 HA GLU A 23 4.638 -3.501 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.728 -1.758 9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.925 -3.002 10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.248 -2.052 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.120 -0.711 8.187 1.00 0.00 H new ATOM 328 N GLN A 24 2.142 -4.390 9.573 1.00 0.00 N ATOM 329 CA GLN A 24 1.487 -5.532 10.188 1.00 0.00 C ATOM 330 C GLN A 24 1.399 -6.692 9.195 1.00 0.00 C ATOM 331 O GLN A 24 1.404 -7.856 9.593 1.00 0.00 O ATOM 332 CB GLN A 24 0.101 -5.152 10.712 1.00 0.00 C ATOM 333 CG GLN A 24 0.207 -4.294 11.974 1.00 0.00 C ATOM 334 CD GLN A 24 0.199 -5.165 13.232 1.00 0.00 C ATOM 335 OE1 GLN A 24 -0.642 -6.030 13.414 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.179 -4.889 14.088 1.00 0.00 N ATOM 0 H GLN A 24 1.648 -3.504 9.684 1.00 0.00 H new ATOM 0 HA GLN A 24 2.086 -5.854 11.040 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.446 -4.607 9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.470 -6.055 10.929 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.123 -3.705 11.941 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.624 -3.590 12.010 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.850 -4.151 13.874 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.259 -5.415 14.958 1.00 0.00 H new ATOM 345 N ALA A 25 1.321 -6.334 7.922 1.00 0.00 N ATOM 346 CA ALA A 25 1.232 -7.332 6.869 1.00 0.00 C ATOM 347 C ALA A 25 2.614 -7.946 6.636 1.00 0.00 C ATOM 348 O ALA A 25 2.749 -9.166 6.555 1.00 0.00 O ATOM 349 CB ALA A 25 0.659 -6.689 5.604 1.00 0.00 C ATOM 0 H ALA A 25 1.318 -5.368 7.596 1.00 0.00 H new ATOM 0 HA ALA A 25 0.558 -8.138 7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.592 -7.437 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.335 -6.294 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.311 -5.877 5.281 1.00 0.00 H new ATOM 355 N LEU A 26 3.605 -7.072 6.535 1.00 0.00 N ATOM 356 CA LEU A 26 4.972 -7.514 6.313 1.00 0.00 C ATOM 357 C LEU A 26 5.317 -8.614 7.318 1.00 0.00 C ATOM 358 O LEU A 26 5.489 -9.772 6.942 1.00 0.00 O ATOM 359 CB LEU A 26 5.932 -6.323 6.350 1.00 0.00 C ATOM 360 CG LEU A 26 7.362 -6.600 5.882 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.385 -7.023 4.412 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.268 -5.395 6.145 1.00 0.00 C ATOM 0 H LEU A 26 3.489 -6.061 6.603 1.00 0.00 H new ATOM 0 HA LEU A 26 5.076 -7.947 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.516 -5.527 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.972 -5.945 7.372 1.00 0.00 H new ATOM 0 HG LEU A 26 7.756 -7.433 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.413 -7.214 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.794 -7.930 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.964 -6.227 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.279 -5.618 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.886 -4.528 5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.286 -5.179 7.213 1.00 0.00 H new ATOM 374 N GLU A 27 5.409 -8.213 8.578 1.00 0.00 N ATOM 375 CA GLU A 27 5.731 -9.150 9.640 1.00 0.00 C ATOM 376 C GLU A 27 4.990 -10.471 9.425 1.00 0.00 C ATOM 377 O GLU A 27 5.559 -11.545 9.618 1.00 0.00 O ATOM 378 CB GLU A 27 5.406 -8.556 11.012 1.00 0.00 C ATOM 379 CG GLU A 27 3.936 -8.144 11.098 1.00 0.00 C ATOM 380 CD GLU A 27 3.108 -9.212 11.815 1.00 0.00 C ATOM 381 OE1 GLU A 27 3.306 -10.401 11.485 1.00 0.00 O ATOM 382 OE2 GLU A 27 2.294 -8.815 12.678 1.00 0.00 O ATOM 0 H GLU A 27 5.266 -7.251 8.887 1.00 0.00 H new ATOM 0 HA GLU A 27 6.802 -9.348 9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.629 -9.286 11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.041 -7.690 11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.851 -7.196 11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.540 -7.984 10.095 1.00 0.00 H new ATOM 389 N ASP A 28 3.731 -10.349 9.029 1.00 0.00 N ATOM 390 CA ASP A 28 2.906 -11.520 8.786 1.00 0.00 C ATOM 391 C ASP A 28 3.523 -12.348 7.657 1.00 0.00 C ATOM 392 O ASP A 28 3.737 -13.549 7.808 1.00 0.00 O ATOM 393 CB ASP A 28 1.492 -11.119 8.361 1.00 0.00 C ATOM 394 CG ASP A 28 0.371 -11.673 9.242 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.140 -12.899 9.163 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.231 -10.858 9.973 1.00 0.00 O ATOM 0 H ASP A 28 3.263 -9.457 8.870 1.00 0.00 H new ATOM 0 HA ASP A 28 2.855 -12.094 9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.425 -10.031 8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.328 -11.454 7.337 1.00 0.00 H new ATOM 401 N CYS A 29 3.792 -11.671 6.550 1.00 0.00 N ATOM 402 CA CYS A 29 4.380 -12.329 5.395 1.00 0.00 C ATOM 403 C CYS A 29 5.761 -12.854 5.793 1.00 0.00 C ATOM 404 O CYS A 29 6.080 -14.017 5.552 1.00 0.00 O ATOM 405 CB CYS A 29 4.452 -11.393 4.187 1.00 0.00 C ATOM 406 SG CYS A 29 2.816 -11.297 3.372 1.00 0.00 S ATOM 0 H CYS A 29 3.614 -10.674 6.428 1.00 0.00 H new ATOM 0 HA CYS A 29 3.749 -13.164 5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.768 -10.399 4.505 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.199 -11.754 3.480 1.00 0.00 H new ATOM 0 HG CYS A 29 2.887 -10.498 2.349 1.00 0.00 H new ATOM 412 N HIS A 30 6.544 -11.970 6.395 1.00 0.00 N ATOM 413 CA HIS A 30 7.883 -12.330 6.829 1.00 0.00 C ATOM 414 C HIS A 30 7.864 -13.729 7.449 1.00 0.00 C ATOM 415 O HIS A 30 8.757 -14.536 7.196 1.00 0.00 O ATOM 416 CB HIS A 30 8.451 -11.270 7.775 1.00 0.00 C ATOM 417 CG HIS A 30 9.294 -11.834 8.893 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.667 -11.671 8.952 1.00 0.00 N ATOM 419 CD2 HIS A 30 8.945 -12.558 9.995 1.00 0.00 C ATOM 420 CE1 HIS A 30 11.114 -12.275 10.044 1.00 0.00 C ATOM 421 NE2 HIS A 30 10.044 -12.825 10.688 1.00 0.00 N ATOM 0 H HIS A 30 6.276 -11.006 6.592 1.00 0.00 H new ATOM 0 HA HIS A 30 8.551 -12.361 5.968 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.053 -10.568 7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.626 -10.703 8.206 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.943 -12.862 10.259 1.00 0.00 H new ATOM 0 HE1 HIS A 30 12.143 -12.323 10.367 1.00 0.00 H new ATOM 0 HE2 HIS A 30 10.083 -13.354 11.559 1.00 0.00 H new ATOM 429 N GLY A 31 6.836 -13.972 8.249 1.00 0.00 N ATOM 430 CA GLY A 31 6.688 -15.259 8.907 1.00 0.00 C ATOM 431 C GLY A 31 5.647 -16.124 8.193 1.00 0.00 C ATOM 432 O GLY A 31 4.822 -16.768 8.838 1.00 0.00 O ATOM 0 H GLY A 31 6.098 -13.299 8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.647 -15.776 8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.391 -15.109 9.945 1.00 0.00 H new ATOM 436 N HIS A 32 5.721 -16.111 6.870 1.00 0.00 N ATOM 437 CA HIS A 32 4.796 -16.886 6.061 1.00 0.00 C ATOM 438 C HIS A 32 5.322 -16.980 4.628 1.00 0.00 C ATOM 439 O HIS A 32 5.650 -18.067 4.153 1.00 0.00 O ATOM 440 CB HIS A 32 3.385 -16.299 6.137 1.00 0.00 C ATOM 441 CG HIS A 32 2.554 -16.843 7.275 1.00 0.00 C ATOM 442 ND1 HIS A 32 2.082 -18.144 7.303 1.00 0.00 N ATOM 443 CD2 HIS A 32 2.117 -16.250 8.423 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.393 -18.314 8.422 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.415 -17.139 9.114 1.00 0.00 N ATOM 0 H HIS A 32 6.407 -15.576 6.338 1.00 0.00 H new ATOM 0 HA HIS A 32 4.727 -17.901 6.453 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.458 -15.216 6.239 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.869 -16.496 5.197 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.310 -15.230 8.719 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.900 -19.224 8.732 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.966 -16.971 10.014 1.00 0.00 H new ATOM 453 N THR A 33 5.386 -15.828 3.978 1.00 0.00 N ATOM 454 CA THR A 33 5.867 -15.767 2.608 1.00 0.00 C ATOM 455 C THR A 33 7.385 -15.953 2.567 1.00 0.00 C ATOM 456 O THR A 33 8.085 -15.582 3.507 1.00 0.00 O ATOM 457 CB THR A 33 5.401 -14.442 2.002 1.00 0.00 C ATOM 458 OG1 THR A 33 4.016 -14.649 1.737 1.00 0.00 O ATOM 459 CG2 THR A 33 6.009 -14.183 0.622 1.00 0.00 C ATOM 0 H THR A 33 5.113 -14.929 4.374 1.00 0.00 H new ATOM 0 HA THR A 33 5.455 -16.578 2.008 1.00 0.00 H new ATOM 0 HB THR A 33 5.663 -13.624 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.818 -14.392 0.812 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.646 -13.230 0.237 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.095 -14.151 0.703 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.720 -14.983 -0.059 1.00 0.00 H new ATOM 467 N LYS A 34 7.849 -16.527 1.467 1.00 0.00 N ATOM 468 CA LYS A 34 9.271 -16.767 1.291 1.00 0.00 C ATOM 469 C LYS A 34 10.049 -15.512 1.690 1.00 0.00 C ATOM 470 O LYS A 34 9.699 -14.405 1.283 1.00 0.00 O ATOM 471 CB LYS A 34 9.562 -17.244 -0.134 1.00 0.00 C ATOM 472 CG LYS A 34 8.700 -18.456 -0.493 1.00 0.00 C ATOM 473 CD LYS A 34 9.425 -19.370 -1.483 1.00 0.00 C ATOM 474 CE LYS A 34 8.726 -19.369 -2.844 1.00 0.00 C ATOM 475 NZ LYS A 34 9.342 -20.370 -3.744 1.00 0.00 N ATOM 0 H LYS A 34 7.265 -16.833 0.689 1.00 0.00 H new ATOM 0 HA LYS A 34 9.605 -17.571 1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.370 -16.435 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.617 -17.503 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.456 -19.014 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.757 -18.121 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.457 -19.039 -1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.459 -20.385 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.666 -19.590 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.793 -18.378 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.856 -20.356 -4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.347 -20.142 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.256 -21.316 -3.321 1.00 0.00 H new ATOM 489 N LYS A 35 11.090 -15.726 2.481 1.00 0.00 N ATOM 490 CA LYS A 35 11.920 -14.625 2.940 1.00 0.00 C ATOM 491 C LYS A 35 12.269 -13.726 1.752 1.00 0.00 C ATOM 492 O LYS A 35 12.027 -12.521 1.789 1.00 0.00 O ATOM 493 CB LYS A 35 13.144 -15.154 3.691 1.00 0.00 C ATOM 494 CG LYS A 35 14.046 -14.005 4.147 1.00 0.00 C ATOM 495 CD LYS A 35 13.417 -13.247 5.318 1.00 0.00 C ATOM 496 CE LYS A 35 13.653 -13.982 6.638 1.00 0.00 C ATOM 497 NZ LYS A 35 15.076 -13.892 7.034 1.00 0.00 N ATOM 0 H LYS A 35 11.378 -16.646 2.816 1.00 0.00 H new ATOM 0 HA LYS A 35 11.376 -14.010 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.822 -15.734 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.707 -15.829 3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.019 -14.397 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.218 -13.321 3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.840 -12.244 5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.346 -13.132 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.024 -13.552 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.363 -15.028 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.164 -14.066 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.627 -14.604 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.439 -12.943 6.812 1.00 0.00 H new ATOM 511 N GLN A 36 12.833 -14.347 0.726 1.00 0.00 N ATOM 512 CA GLN A 36 13.217 -13.618 -0.471 1.00 0.00 C ATOM 513 C GLN A 36 12.139 -12.597 -0.840 1.00 0.00 C ATOM 514 O GLN A 36 12.413 -11.401 -0.922 1.00 0.00 O ATOM 515 CB GLN A 36 13.487 -14.575 -1.633 1.00 0.00 C ATOM 516 CG GLN A 36 14.981 -14.878 -1.758 1.00 0.00 C ATOM 517 CD GLN A 36 15.575 -14.212 -3.001 1.00 0.00 C ATOM 518 OE1 GLN A 36 14.902 -13.517 -3.744 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.868 -14.463 -3.184 1.00 0.00 N ATOM 0 H GLN A 36 13.033 -15.347 0.699 1.00 0.00 H new ATOM 0 HA GLN A 36 14.142 -13.081 -0.264 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.936 -15.503 -1.480 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.122 -14.137 -2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.503 -14.525 -0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.134 -15.956 -1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.371 -15.054 -2.522 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.356 -14.064 -3.986 1.00 0.00 H new ATOM 528 N VAL A 37 10.934 -13.107 -1.052 1.00 0.00 N ATOM 529 CA VAL A 37 9.813 -12.255 -1.411 1.00 0.00 C ATOM 530 C VAL A 37 9.708 -11.108 -0.404 1.00 0.00 C ATOM 531 O VAL A 37 9.805 -9.940 -0.776 1.00 0.00 O ATOM 532 CB VAL A 37 8.533 -13.087 -1.506 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.307 -12.189 -1.683 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.628 -14.114 -2.636 1.00 0.00 C ATOM 0 H VAL A 37 10.710 -14.100 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 37 9.969 -11.811 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 37 8.417 -13.631 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.411 -12.806 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.223 -11.515 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.413 -11.605 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.705 -14.692 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.780 -13.599 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.467 -14.784 -2.449 1.00 0.00 H new ATOM 544 N CYS A 38 9.510 -11.481 0.852 1.00 0.00 N ATOM 545 CA CYS A 38 9.390 -10.498 1.915 1.00 0.00 C ATOM 546 C CYS A 38 10.486 -9.447 1.723 1.00 0.00 C ATOM 547 O CYS A 38 10.193 -8.266 1.544 1.00 0.00 O ATOM 548 CB CYS A 38 9.460 -11.149 3.298 1.00 0.00 C ATOM 549 SG CYS A 38 9.544 -9.859 4.593 1.00 0.00 S ATOM 0 H CYS A 38 9.430 -12.451 1.157 1.00 0.00 H new ATOM 0 HA CYS A 38 8.413 -10.017 1.861 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.585 -11.779 3.457 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.335 -11.796 3.361 1.00 0.00 H new ATOM 0 HG CYS A 38 10.379 -10.227 5.519 1.00 0.00 H new ATOM 555 N ASP A 39 11.724 -9.915 1.766 1.00 0.00 N ATOM 556 CA ASP A 39 12.865 -9.030 1.599 1.00 0.00 C ATOM 557 C ASP A 39 12.564 -8.022 0.489 1.00 0.00 C ATOM 558 O ASP A 39 12.950 -6.857 0.582 1.00 0.00 O ATOM 559 CB ASP A 39 14.116 -9.814 1.200 1.00 0.00 C ATOM 560 CG ASP A 39 15.331 -9.600 2.106 1.00 0.00 C ATOM 561 OD1 ASP A 39 16.004 -8.564 1.915 1.00 0.00 O ATOM 562 OD2 ASP A 39 15.557 -10.476 2.968 1.00 0.00 O ATOM 0 H ASP A 39 11.963 -10.896 1.914 1.00 0.00 H new ATOM 0 HA ASP A 39 13.043 -8.526 2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.872 -10.876 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.389 -9.539 0.181 1.00 0.00 H new ATOM 567 N ASP A 40 11.878 -8.506 -0.536 1.00 0.00 N ATOM 568 CA ASP A 40 11.521 -7.661 -1.663 1.00 0.00 C ATOM 569 C ASP A 40 10.453 -6.657 -1.224 1.00 0.00 C ATOM 570 O ASP A 40 10.648 -5.448 -1.340 1.00 0.00 O ATOM 571 CB ASP A 40 10.946 -8.490 -2.813 1.00 0.00 C ATOM 572 CG ASP A 40 11.061 -7.846 -4.196 1.00 0.00 C ATOM 573 OD1 ASP A 40 12.160 -7.956 -4.783 1.00 0.00 O ATOM 574 OD2 ASP A 40 10.049 -7.259 -4.635 1.00 0.00 O ATOM 0 H ASP A 40 11.560 -9.472 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 40 12.423 -7.152 -2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.454 -9.454 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.894 -8.688 -2.607 1.00 0.00 H new ATOM 579 N ILE A 41 9.348 -7.195 -0.730 1.00 0.00 N ATOM 580 CA ILE A 41 8.250 -6.361 -0.273 1.00 0.00 C ATOM 581 C ILE A 41 8.790 -5.282 0.668 1.00 0.00 C ATOM 582 O ILE A 41 8.675 -4.091 0.384 1.00 0.00 O ATOM 583 CB ILE A 41 7.146 -7.221 0.347 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.496 -8.121 -0.706 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.117 -6.352 1.072 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.537 -9.121 -0.056 1.00 0.00 C ATOM 0 H ILE A 41 9.189 -8.198 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 41 7.787 -5.847 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 41 7.599 -7.874 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.955 -7.510 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.268 -8.658 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.344 -6.987 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.610 -5.790 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.663 -5.658 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.089 -9.748 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.086 -9.747 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.753 -8.581 0.474 1.00 0.00 H new ATOM 598 N SER A 42 9.369 -5.739 1.769 1.00 0.00 N ATOM 599 CA SER A 42 9.928 -4.828 2.753 1.00 0.00 C ATOM 600 C SER A 42 10.628 -3.663 2.050 1.00 0.00 C ATOM 601 O SER A 42 10.269 -2.504 2.254 1.00 0.00 O ATOM 602 CB SER A 42 10.905 -5.552 3.682 1.00 0.00 C ATOM 603 OG SER A 42 11.833 -6.355 2.958 1.00 0.00 O ATOM 0 H SER A 42 9.463 -6.728 2.001 1.00 0.00 H new ATOM 0 HA SER A 42 9.111 -4.439 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.448 -4.820 4.279 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.347 -6.180 4.377 1.00 0.00 H new ATOM 0 HG SER A 42 11.362 -7.112 2.551 1.00 0.00 H new ATOM 609 N ARG A 43 11.615 -4.011 1.238 1.00 0.00 N ATOM 610 CA ARG A 43 12.369 -3.009 0.504 1.00 0.00 C ATOM 611 C ARG A 43 11.424 -1.957 -0.080 1.00 0.00 C ATOM 612 O ARG A 43 11.674 -0.758 0.039 1.00 0.00 O ATOM 613 CB ARG A 43 13.174 -3.647 -0.630 1.00 0.00 C ATOM 614 CG ARG A 43 14.677 -3.499 -0.386 1.00 0.00 C ATOM 615 CD ARG A 43 15.413 -3.165 -1.685 1.00 0.00 C ATOM 616 NE ARG A 43 16.874 -3.303 -1.489 1.00 0.00 N ATOM 617 CZ ARG A 43 17.790 -2.972 -2.409 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.402 -2.484 -3.595 1.00 0.00 N ATOM 619 NH2 ARG A 43 19.093 -3.131 -2.144 1.00 0.00 N ATOM 0 H ARG A 43 11.910 -4.973 1.072 1.00 0.00 H new ATOM 0 HA ARG A 43 13.059 -2.535 1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.918 -4.703 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.908 -3.179 -1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.854 -2.714 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.074 -4.423 0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.080 -3.830 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.174 -2.148 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 43 17.204 -3.673 -0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.409 -2.365 -3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.099 -2.232 -4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.388 -3.504 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.790 -2.879 -2.844 1.00 0.00 H new ATOM 633 N ARG A 44 10.358 -2.443 -0.699 1.00 0.00 N ATOM 634 CA ARG A 44 9.375 -1.559 -1.301 1.00 0.00 C ATOM 635 C ARG A 44 8.776 -0.630 -0.243 1.00 0.00 C ATOM 636 O ARG A 44 8.568 0.555 -0.497 1.00 0.00 O ATOM 637 CB ARG A 44 8.250 -2.356 -1.965 1.00 0.00 C ATOM 638 CG ARG A 44 8.806 -3.307 -3.027 1.00 0.00 C ATOM 639 CD ARG A 44 9.260 -2.537 -4.269 1.00 0.00 C ATOM 640 NE ARG A 44 10.250 -3.335 -5.025 1.00 0.00 N ATOM 641 CZ ARG A 44 10.585 -3.103 -6.302 1.00 0.00 C ATOM 642 NH1 ARG A 44 10.012 -2.094 -6.972 1.00 0.00 N ATOM 643 NH2 ARG A 44 11.494 -3.879 -6.908 1.00 0.00 N ATOM 0 H ARG A 44 10.154 -3.438 -0.796 1.00 0.00 H new ATOM 0 HA ARG A 44 9.884 -0.968 -2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.708 -2.925 -1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.535 -1.672 -2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.645 -3.867 -2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.043 -4.034 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.401 -2.313 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.697 -1.583 -3.976 1.00 0.00 H new ATOM 0 HE ARG A 44 10.706 -4.110 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.321 -1.503 -6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.267 -1.917 -7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.931 -4.646 -6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.749 -3.702 -7.880 1.00 0.00 H new ATOM 657 N LEU A 45 8.515 -1.205 0.923 1.00 0.00 N ATOM 658 CA LEU A 45 7.944 -0.444 2.021 1.00 0.00 C ATOM 659 C LEU A 45 8.893 0.698 2.392 1.00 0.00 C ATOM 660 O LEU A 45 8.498 1.863 2.391 1.00 0.00 O ATOM 661 CB LEU A 45 7.605 -1.367 3.193 1.00 0.00 C ATOM 662 CG LEU A 45 6.759 -2.596 2.856 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.132 -3.192 4.118 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.708 -2.264 1.795 1.00 0.00 C ATOM 0 H LEU A 45 8.689 -2.188 1.130 1.00 0.00 H new ATOM 0 HA LEU A 45 7.000 0.010 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.538 -1.705 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.078 -0.784 3.948 1.00 0.00 H new ATOM 0 HG LEU A 45 7.415 -3.357 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.536 -4.064 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.920 -3.489 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.493 -2.448 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.120 -3.155 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.050 -1.479 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.204 -1.921 0.887 1.00 0.00 H new ATOM 676 N ALA A 46 10.126 0.324 2.699 1.00 0.00 N ATOM 677 CA ALA A 46 11.134 1.302 3.071 1.00 0.00 C ATOM 678 C ALA A 46 10.992 2.538 2.180 1.00 0.00 C ATOM 679 O ALA A 46 11.005 3.666 2.671 1.00 0.00 O ATOM 680 CB ALA A 46 12.523 0.668 2.972 1.00 0.00 C ATOM 0 H ALA A 46 10.450 -0.643 2.698 1.00 0.00 H new ATOM 0 HA ALA A 46 10.995 1.622 4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.279 1.402 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.581 -0.187 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.700 0.337 1.949 1.00 0.00 H new ATOM 686 N LEU A 47 10.861 2.283 0.887 1.00 0.00 N ATOM 687 CA LEU A 47 10.717 3.361 -0.077 1.00 0.00 C ATOM 688 C LEU A 47 9.376 4.064 0.146 1.00 0.00 C ATOM 689 O LEU A 47 9.323 5.287 0.257 1.00 0.00 O ATOM 690 CB LEU A 47 10.906 2.835 -1.501 1.00 0.00 C ATOM 691 CG LEU A 47 11.468 3.833 -2.516 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.736 3.155 -3.861 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.547 5.046 -2.659 1.00 0.00 C ATOM 0 H LEU A 47 10.852 1.346 0.484 1.00 0.00 H new ATOM 0 HA LEU A 47 11.497 4.108 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.571 1.972 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.943 2.479 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 47 12.425 4.197 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.135 3.886 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.459 2.350 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.806 2.744 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.969 5.740 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.564 4.719 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.450 5.545 -1.695 1.00 0.00 H new ATOM 705 N LEU A 48 8.325 3.259 0.204 1.00 0.00 N ATOM 706 CA LEU A 48 6.988 3.788 0.412 1.00 0.00 C ATOM 707 C LEU A 48 7.022 4.818 1.542 1.00 0.00 C ATOM 708 O LEU A 48 6.640 5.971 1.347 1.00 0.00 O ATOM 709 CB LEU A 48 5.992 2.650 0.647 1.00 0.00 C ATOM 710 CG LEU A 48 4.635 3.055 1.226 1.00 0.00 C ATOM 711 CD1 LEU A 48 4.033 4.224 0.445 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.686 1.857 1.288 1.00 0.00 C ATOM 0 H LEU A 48 8.373 2.244 0.111 1.00 0.00 H new ATOM 0 HA LEU A 48 6.640 4.306 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.822 2.141 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.450 1.926 1.320 1.00 0.00 H new ATOM 0 HG LEU A 48 4.788 3.397 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.069 4.492 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.705 5.081 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.896 3.933 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.729 2.172 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.533 1.461 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.119 1.082 1.921 1.00 0.00 H new ATOM 724 N ARG A 49 7.482 4.365 2.699 1.00 0.00 N ATOM 725 CA ARG A 49 7.570 5.234 3.861 1.00 0.00 C ATOM 726 C ARG A 49 8.439 6.454 3.547 1.00 0.00 C ATOM 727 O ARG A 49 7.975 7.590 3.636 1.00 0.00 O ATOM 728 CB ARG A 49 8.162 4.491 5.060 1.00 0.00 C ATOM 729 CG ARG A 49 8.275 5.413 6.276 1.00 0.00 C ATOM 730 CD ARG A 49 9.262 4.851 7.301 1.00 0.00 C ATOM 731 NE ARG A 49 9.935 5.958 8.016 1.00 0.00 N ATOM 732 CZ ARG A 49 10.701 5.794 9.103 1.00 0.00 C ATOM 733 NH1 ARG A 49 10.896 4.568 9.607 1.00 0.00 N ATOM 734 NH2 ARG A 49 11.272 6.856 9.687 1.00 0.00 N ATOM 0 H ARG A 49 7.798 3.408 2.857 1.00 0.00 H new ATOM 0 HA ARG A 49 6.559 5.558 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.536 3.634 5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.147 4.102 4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.601 6.403 5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.295 5.533 6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.737 4.214 8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.003 4.227 6.801 1.00 0.00 H new ATOM 0 HE ARG A 49 9.808 6.905 7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.461 3.759 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.479 4.444 10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.124 7.790 9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.855 6.731 10.515 1.00 0.00 H new ATOM 748 N GLU A 50 9.683 6.177 3.186 1.00 0.00 N ATOM 749 CA GLU A 50 10.621 7.238 2.858 1.00 0.00 C ATOM 750 C GLU A 50 9.950 8.281 1.962 1.00 0.00 C ATOM 751 O GLU A 50 10.021 9.478 2.236 1.00 0.00 O ATOM 752 CB GLU A 50 11.878 6.673 2.195 1.00 0.00 C ATOM 753 CG GLU A 50 12.774 5.976 3.221 1.00 0.00 C ATOM 754 CD GLU A 50 14.006 5.366 2.549 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.814 4.390 1.791 1.00 0.00 O ATOM 756 OE2 GLU A 50 15.111 5.888 2.809 1.00 0.00 O ATOM 0 H GLU A 50 10.064 5.233 3.113 1.00 0.00 H new ATOM 0 HA GLU A 50 10.927 7.725 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.595 5.967 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.431 7.478 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.087 6.692 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.210 5.195 3.731 1.00 0.00 H new ATOM 763 N GLN A 51 9.314 7.789 0.909 1.00 0.00 N ATOM 764 CA GLN A 51 8.631 8.663 -0.029 1.00 0.00 C ATOM 765 C GLN A 51 7.454 9.362 0.657 1.00 0.00 C ATOM 766 O GLN A 51 7.182 10.531 0.391 1.00 0.00 O ATOM 767 CB GLN A 51 8.164 7.887 -1.262 1.00 0.00 C ATOM 768 CG GLN A 51 9.032 8.218 -2.478 1.00 0.00 C ATOM 769 CD GLN A 51 8.192 8.261 -3.756 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.451 9.196 -4.012 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.348 7.199 -4.542 1.00 0.00 N ATOM 0 H GLN A 51 9.257 6.796 0.685 1.00 0.00 H new ATOM 0 HA GLN A 51 9.335 9.424 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.207 6.817 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.123 8.130 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.522 9.180 -2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.820 7.472 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.985 6.451 -4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.831 7.133 -5.419 1.00 0.00 H new ATOM 780 N TRP A 52 6.789 8.615 1.525 1.00 0.00 N ATOM 781 CA TRP A 52 5.648 9.147 2.251 1.00 0.00 C ATOM 782 C TRP A 52 6.153 10.254 3.178 1.00 0.00 C ATOM 783 O TRP A 52 5.768 11.414 3.034 1.00 0.00 O ATOM 784 CB TRP A 52 4.904 8.036 2.995 1.00 0.00 C ATOM 785 CG TRP A 52 3.592 8.489 3.638 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.387 9.542 4.441 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.303 7.855 3.499 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.065 9.633 4.828 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.385 8.575 4.237 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.924 6.712 2.773 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.031 8.231 4.321 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.567 6.382 2.868 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.369 7.096 3.607 1.00 0.00 C ATOM 0 H TRP A 52 7.018 7.645 1.742 1.00 0.00 H new ATOM 0 HA TRP A 52 4.918 9.574 1.563 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.694 7.224 2.299 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.556 7.632 3.769 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.159 10.233 4.747 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.662 10.346 5.436 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.625 6.134 2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.668 8.811 4.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.223 5.511 2.329 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.400 6.776 3.630 1.00 0.00 H new ATOM 804 N ALA A 53 7.006 9.858 4.111 1.00 0.00 N ATOM 805 CA ALA A 53 7.568 10.802 5.062 1.00 0.00 C ATOM 806 C ALA A 53 8.304 11.907 4.302 1.00 0.00 C ATOM 807 O ALA A 53 7.979 13.085 4.444 1.00 0.00 O ATOM 808 CB ALA A 53 8.480 10.060 6.040 1.00 0.00 C ATOM 0 H ALA A 53 7.322 8.895 4.229 1.00 0.00 H new ATOM 0 HA ALA A 53 6.778 11.274 5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.901 10.768 6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.903 9.306 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.287 9.576 5.489 1.00 0.00 H new ATOM 814 N GLY A 54 9.282 11.488 3.513 1.00 0.00 N ATOM 815 CA GLY A 54 10.067 12.428 2.731 1.00 0.00 C ATOM 816 C GLY A 54 9.195 13.573 2.212 1.00 0.00 C ATOM 817 O GLY A 54 9.646 14.715 2.133 1.00 0.00 O ATOM 0 H GLY A 54 9.549 10.510 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.875 12.830 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.531 11.910 1.891 1.00 0.00 H new ATOM 821 N GLY A 55 7.962 13.228 1.872 1.00 0.00 N ATOM 822 CA GLY A 55 7.022 14.212 1.363 1.00 0.00 C ATOM 823 C GLY A 55 7.039 14.247 -0.166 1.00 0.00 C ATOM 824 O GLY A 55 6.914 15.312 -0.768 1.00 0.00 O ATOM 0 H GLY A 55 7.592 12.280 1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.017 13.976 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.273 15.197 1.756 1.00 0.00 H new ATOM 828 N LYS A 56 7.194 13.068 -0.751 1.00 0.00 N ATOM 829 CA LYS A 56 7.229 12.950 -2.199 1.00 0.00 C ATOM 830 C LYS A 56 5.853 12.508 -2.703 1.00 0.00 C ATOM 831 O LYS A 56 5.504 12.751 -3.858 1.00 0.00 O ATOM 832 CB LYS A 56 8.369 12.027 -2.634 1.00 0.00 C ATOM 833 CG LYS A 56 9.648 12.822 -2.898 1.00 0.00 C ATOM 834 CD LYS A 56 9.966 12.869 -4.394 1.00 0.00 C ATOM 835 CE LYS A 56 11.404 13.333 -4.634 1.00 0.00 C ATOM 836 NZ LYS A 56 12.035 12.531 -5.706 1.00 0.00 N ATOM 0 H LYS A 56 7.297 12.186 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 56 7.441 13.917 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.553 11.281 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.080 11.486 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.536 13.836 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.480 12.368 -2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.821 11.881 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.273 13.545 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.411 14.388 -4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.981 13.239 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.010 12.859 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.045 11.529 -5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.493 12.641 -6.587 1.00 0.00 H new ATOM 850 N LEU A 57 5.109 11.868 -1.813 1.00 0.00 N ATOM 851 CA LEU A 57 3.780 11.390 -2.154 1.00 0.00 C ATOM 852 C LEU A 57 2.798 12.563 -2.120 1.00 0.00 C ATOM 853 O LEU A 57 2.966 13.496 -1.336 1.00 0.00 O ATOM 854 CB LEU A 57 3.380 10.226 -1.245 1.00 0.00 C ATOM 855 CG LEU A 57 4.366 9.058 -1.178 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.972 8.071 -0.078 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.500 8.375 -2.540 1.00 0.00 C ATOM 0 H LEU A 57 5.401 11.669 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 57 3.766 10.991 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.236 10.612 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.416 9.843 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 57 5.348 9.454 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.689 7.250 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.969 8.582 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.977 7.677 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.207 7.548 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.528 7.994 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.861 9.095 -3.274 1.00 0.00 H new ATOM 869 N SER A 58 1.793 12.477 -2.980 1.00 0.00 N ATOM 870 CA SER A 58 0.784 13.519 -3.058 1.00 0.00 C ATOM 871 C SER A 58 -0.211 13.371 -1.906 1.00 0.00 C ATOM 872 O SER A 58 -0.283 12.318 -1.274 1.00 0.00 O ATOM 873 CB SER A 58 0.051 13.477 -4.401 1.00 0.00 C ATOM 874 OG SER A 58 0.914 13.091 -5.467 1.00 0.00 O ATOM 0 H SER A 58 1.656 11.702 -3.628 1.00 0.00 H new ATOM 0 HA SER A 58 1.283 14.485 -2.977 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.783 12.777 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.372 14.459 -4.614 1.00 0.00 H new ATOM 0 HG SER A 58 0.409 13.074 -6.307 1.00 0.00 H new ATOM 880 N ILE A 59 -0.955 14.442 -1.667 1.00 0.00 N ATOM 881 CA ILE A 59 -1.943 14.444 -0.602 1.00 0.00 C ATOM 882 C ILE A 59 -3.031 13.416 -0.919 1.00 0.00 C ATOM 883 O ILE A 59 -3.435 12.646 -0.049 1.00 0.00 O ATOM 884 CB ILE A 59 -2.480 15.858 -0.373 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.476 16.706 0.410 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.851 15.821 0.306 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.409 18.130 -0.147 1.00 0.00 C ATOM 0 H ILE A 59 -0.893 15.314 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.487 14.144 0.342 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.614 16.333 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.762 16.736 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.489 16.246 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.210 16.839 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.555 15.278 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.766 15.319 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.688 18.712 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.099 18.098 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.392 18.596 -0.074 1.00 0.00 H new ATOM 899 N PRO A 60 -3.487 13.439 -2.200 1.00 0.00 N ATOM 900 CA PRO A 60 -4.521 12.519 -2.642 1.00 0.00 C ATOM 901 C PRO A 60 -3.956 11.109 -2.832 1.00 0.00 C ATOM 902 O PRO A 60 -4.693 10.180 -3.157 1.00 0.00 O ATOM 903 CB PRO A 60 -5.058 13.121 -3.930 1.00 0.00 C ATOM 904 CG PRO A 60 -3.999 14.101 -4.406 1.00 0.00 C ATOM 905 CD PRO A 60 -3.033 14.338 -3.257 1.00 0.00 C ATOM 0 HA PRO A 60 -5.319 12.400 -1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.238 12.348 -4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.008 13.626 -3.758 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.471 13.702 -5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.459 15.039 -4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.007 14.118 -3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.055 15.377 -2.929 1.00 0.00 H new ATOM 913 N VAL A 61 -2.653 10.995 -2.619 1.00 0.00 N ATOM 914 CA VAL A 61 -1.981 9.715 -2.763 1.00 0.00 C ATOM 915 C VAL A 61 -2.007 8.977 -1.422 1.00 0.00 C ATOM 916 O VAL A 61 -1.974 7.748 -1.386 1.00 0.00 O ATOM 917 CB VAL A 61 -0.564 9.925 -3.301 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.339 8.742 -2.945 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.583 10.166 -4.812 1.00 0.00 C ATOM 0 H VAL A 61 -2.045 11.768 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.501 9.090 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.152 10.815 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.340 8.917 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.389 8.636 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.068 7.830 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.436 10.312 -5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.023 9.303 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.176 11.054 -5.031 1.00 0.00 H new ATOM 929 N LYS A 62 -2.067 9.759 -0.354 1.00 0.00 N ATOM 930 CA LYS A 62 -2.098 9.195 0.985 1.00 0.00 C ATOM 931 C LYS A 62 -3.545 8.874 1.364 1.00 0.00 C ATOM 932 O LYS A 62 -3.820 7.824 1.944 1.00 0.00 O ATOM 933 CB LYS A 62 -1.395 10.126 1.975 1.00 0.00 C ATOM 934 CG LYS A 62 -0.103 10.688 1.376 1.00 0.00 C ATOM 935 CD LYS A 62 0.354 11.936 2.134 1.00 0.00 C ATOM 936 CE LYS A 62 1.632 12.512 1.520 1.00 0.00 C ATOM 937 NZ LYS A 62 2.462 13.157 2.562 1.00 0.00 N ATOM 0 H LYS A 62 -2.095 10.778 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.544 8.257 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.061 10.945 2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.169 9.583 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.679 9.929 1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.261 10.933 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.435 12.688 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.529 11.687 3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.199 11.718 1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.377 13.239 0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.325 13.543 2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.924 13.928 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.721 12.454 3.284 1.00 0.00 H new ATOM 951 N LYS A 63 -4.432 9.796 1.022 1.00 0.00 N ATOM 952 CA LYS A 63 -5.843 9.624 1.319 1.00 0.00 C ATOM 953 C LYS A 63 -6.364 8.379 0.599 1.00 0.00 C ATOM 954 O LYS A 63 -7.206 7.657 1.131 1.00 0.00 O ATOM 955 CB LYS A 63 -6.621 10.899 0.984 1.00 0.00 C ATOM 956 CG LYS A 63 -6.865 11.739 2.239 1.00 0.00 C ATOM 957 CD LYS A 63 -6.032 13.022 2.211 1.00 0.00 C ATOM 958 CE LYS A 63 -4.580 12.742 2.603 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.491 12.378 4.035 1.00 0.00 N ATOM 0 H LYS A 63 -4.200 10.665 0.542 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.990 9.460 2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.066 11.486 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.575 10.637 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.923 11.990 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.613 11.157 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.065 13.460 1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.462 13.754 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.181 11.933 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.968 13.622 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.669 11.759 4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.385 13.240 4.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.357 11.878 4.321 1.00 0.00 H new ATOM 973 N ARG A 64 -5.842 8.166 -0.599 1.00 0.00 N ATOM 974 CA ARG A 64 -6.243 7.020 -1.398 1.00 0.00 C ATOM 975 C ARG A 64 -5.668 5.732 -0.805 1.00 0.00 C ATOM 976 O ARG A 64 -6.367 4.726 -0.701 1.00 0.00 O ATOM 977 CB ARG A 64 -5.768 7.164 -2.845 1.00 0.00 C ATOM 978 CG ARG A 64 -6.956 7.267 -3.804 1.00 0.00 C ATOM 979 CD ARG A 64 -6.591 8.084 -5.045 1.00 0.00 C ATOM 980 NE ARG A 64 -7.783 8.261 -5.904 1.00 0.00 N ATOM 981 CZ ARG A 64 -7.730 8.553 -7.211 1.00 0.00 C ATOM 982 NH1 ARG A 64 -6.544 8.702 -7.817 1.00 0.00 N ATOM 983 NH2 ARG A 64 -8.863 8.695 -7.912 1.00 0.00 N ATOM 0 H ARG A 64 -5.144 8.768 -1.037 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.332 6.974 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.142 8.051 -2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.150 6.308 -3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.274 6.268 -4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.800 7.731 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.199 9.057 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.802 7.580 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.702 8.154 -5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.681 8.593 -7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.504 8.924 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.766 8.581 -7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.823 8.917 -8.907 1.00 0.00 H new ATOM 997 N MET A 65 -4.398 5.806 -0.433 1.00 0.00 N ATOM 998 CA MET A 65 -3.721 4.658 0.146 1.00 0.00 C ATOM 999 C MET A 65 -4.526 4.075 1.308 1.00 0.00 C ATOM 1000 O MET A 65 -4.949 2.921 1.258 1.00 0.00 O ATOM 1001 CB MET A 65 -2.337 5.080 0.644 1.00 0.00 C ATOM 1002 CG MET A 65 -1.259 4.759 -0.393 1.00 0.00 C ATOM 1003 SD MET A 65 -1.235 3.006 -0.727 1.00 0.00 S ATOM 1004 CE MET A 65 -0.814 2.388 0.894 1.00 0.00 C ATOM 0 H MET A 65 -3.821 6.642 -0.521 1.00 0.00 H new ATOM 0 HA MET A 65 -3.623 3.892 -0.623 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.334 6.149 0.858 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.111 4.567 1.579 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.453 5.310 -1.313 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.284 5.081 -0.028 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.497 1.348 0.816 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.002 2.984 1.311 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.685 2.454 1.546 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.715 4.899 2.328 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.462 4.480 3.502 1.00 0.00 C ATOM 1016 C ALA A 66 -6.639 3.605 3.065 1.00 0.00 C ATOM 1017 O ALA A 66 -6.922 2.583 3.689 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.913 5.712 4.288 1.00 0.00 C ATOM 0 H ALA A 66 -4.363 5.856 2.366 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.834 3.884 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.473 5.397 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.039 6.285 4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.548 6.334 3.657 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.293 4.038 1.997 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.432 3.306 1.470 1.00 0.00 C ATOM 1026 C LEU A 67 -8.053 1.834 1.297 1.00 0.00 C ATOM 1027 O LEU A 67 -8.598 0.965 1.975 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.945 3.965 0.187 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.040 5.491 0.209 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -9.830 6.008 -0.995 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.624 5.986 1.533 1.00 0.00 C ATOM 0 H LEU A 67 -7.056 4.886 1.483 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.264 3.339 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.291 3.673 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.933 3.562 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.031 5.897 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.883 7.096 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.332 5.702 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.838 5.595 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.680 7.074 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.623 5.572 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.985 5.664 2.355 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.120 1.600 0.385 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.661 0.249 0.115 1.00 0.00 C ATOM 1045 C LEU A 68 -6.340 -0.451 1.437 1.00 0.00 C ATOM 1046 O LEU A 68 -6.741 -1.594 1.652 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.491 0.268 -0.871 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.629 -0.996 -0.913 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -4.114 -1.261 -2.330 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.490 -0.918 0.105 1.00 0.00 C ATOM 0 H LEU A 68 -6.670 2.324 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.447 -0.330 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.887 0.447 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.849 1.114 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.253 -1.844 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.504 -2.165 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.959 -1.392 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.511 -0.416 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.893 -1.829 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.859 -0.058 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.905 -0.812 1.107 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.620 0.264 2.289 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.241 -0.274 3.584 1.00 0.00 C ATOM 1064 C VAL A 69 -6.500 -0.690 4.347 1.00 0.00 C ATOM 1065 O VAL A 69 -6.652 -1.855 4.711 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.391 0.745 4.345 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.224 0.335 5.810 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.030 0.937 3.671 1.00 0.00 C ATOM 0 H VAL A 69 -5.289 1.212 2.107 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.625 -1.165 3.462 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.914 1.701 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.616 1.076 6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.203 0.273 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.734 -0.637 5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.446 1.666 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.498 -0.014 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.176 1.296 2.652 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.371 0.285 4.565 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.612 0.034 5.278 1.00 0.00 C ATOM 1080 C GLN A 70 -9.248 -1.270 4.792 1.00 0.00 C ATOM 1081 O GLN A 70 -9.725 -2.070 5.597 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.580 1.208 5.123 1.00 0.00 C ATOM 1083 CG GLN A 70 -9.112 2.416 5.937 1.00 0.00 C ATOM 1084 CD GLN A 70 -8.951 2.052 7.415 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -9.891 2.079 8.193 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -7.712 1.712 7.756 1.00 0.00 N ATOM 0 H GLN A 70 -7.242 1.250 4.260 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.385 -0.069 6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.659 1.482 4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.576 0.908 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.163 2.779 5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.831 3.229 5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.972 1.711 7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.501 1.452 8.720 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.236 -1.444 3.479 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.806 -2.637 2.877 1.00 0.00 C ATOM 1097 C GLU A 71 -9.031 -3.879 3.322 1.00 0.00 C ATOM 1098 O GLU A 71 -9.614 -4.822 3.855 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.830 -2.523 1.351 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.547 -1.246 0.908 1.00 0.00 C ATOM 1101 CD GLU A 71 -12.063 -1.451 0.879 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.549 -2.217 1.738 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.702 -0.835 -0.002 1.00 0.00 O ATOM 0 H GLU A 71 -8.840 -0.779 2.815 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.837 -2.735 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.810 -2.524 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.332 -3.392 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.299 -0.431 1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.197 -0.953 -0.082 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.727 -3.840 3.086 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.866 -4.950 3.456 1.00 0.00 C ATOM 1112 C LEU A 72 -7.197 -5.394 4.882 1.00 0.00 C ATOM 1113 O LEU A 72 -7.171 -6.585 5.187 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.396 -4.578 3.253 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.418 -5.749 3.134 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.342 -5.460 2.086 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.814 -6.099 4.495 1.00 0.00 C ATOM 0 H LEU A 72 -7.247 -3.057 2.643 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.047 -5.806 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.317 -3.971 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.082 -3.951 4.088 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.972 -6.624 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.660 -6.308 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.813 -5.298 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.785 -4.568 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.123 -6.934 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.278 -5.235 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.610 -6.378 5.186 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.501 -4.412 5.718 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.837 -4.686 7.104 1.00 0.00 C ATOM 1131 C LEU A 73 -9.104 -5.542 7.158 1.00 0.00 C ATOM 1132 O LEU A 73 -9.148 -6.548 7.866 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.942 -3.382 7.898 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.631 -2.628 8.127 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.896 -1.188 8.569 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.734 -3.376 9.116 1.00 0.00 C ATOM 0 H LEU A 73 -7.522 -3.425 5.461 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.043 -5.260 7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.634 -2.719 7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.384 -3.606 8.869 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.095 -2.580 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.947 -0.675 8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.466 -0.670 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.464 -1.192 9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.809 -2.819 9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.250 -3.477 10.071 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.504 -4.366 8.722 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.102 -5.113 6.401 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.366 -5.828 6.353 1.00 0.00 C ATOM 1150 C HIS A 74 -11.211 -7.089 5.500 1.00 0.00 C ATOM 1151 O HIS A 74 -12.154 -7.865 5.355 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.490 -4.914 5.860 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.043 -3.993 6.922 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -13.959 -2.994 6.645 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.800 -3.932 8.263 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.247 -2.366 7.775 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.527 -2.948 8.776 1.00 0.00 N ATOM 0 H HIS A 74 -10.061 -4.279 5.815 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.647 -6.143 7.358 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.118 -4.313 5.030 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.300 -5.530 5.470 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -12.130 -4.575 8.813 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -14.932 -1.538 7.884 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.544 -2.672 9.758 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.013 -7.254 4.958 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.722 -8.407 4.123 1.00 0.00 C ATOM 1167 C HIS A 75 -10.194 -8.138 2.693 1.00 0.00 C ATOM 1168 O HIS A 75 -10.020 -8.976 1.810 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.332 -9.677 4.719 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.255 -9.747 6.226 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.227 -10.358 6.999 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.312 -9.277 7.093 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -10.875 -10.254 8.272 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.689 -9.583 8.328 1.00 0.00 N ATOM 0 H HIS A 75 -9.233 -6.608 5.081 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.645 -8.572 4.088 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.377 -9.743 4.415 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.823 -10.544 4.299 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.412 -8.746 6.820 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.430 -10.634 9.117 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.176 -9.354 9.179 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.783 -6.965 2.509 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.281 -6.574 1.201 1.00 0.00 C ATOM 1184 C GLN A 76 -10.117 -6.370 0.229 1.00 0.00 C ATOM 1185 O GLN A 76 -9.816 -5.241 -0.155 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.143 -5.314 1.297 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.482 -5.616 1.972 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.537 -6.024 0.941 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.313 -6.864 0.085 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.695 -5.383 1.070 1.00 0.00 N ATOM 0 H GLN A 76 -10.926 -6.273 3.244 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.911 -7.377 0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.612 -4.548 1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.317 -4.911 0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.353 -6.416 2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.824 -4.737 2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.815 -4.691 1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.463 -5.584 0.429 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.495 -7.480 -0.141 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.371 -7.437 -1.061 1.00 0.00 C ATOM 1201 C TRP A 77 -8.879 -6.904 -2.402 1.00 0.00 C ATOM 1202 O TRP A 77 -8.216 -6.088 -3.041 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.704 -8.808 -1.176 1.00 0.00 C ATOM 1204 CG TRP A 77 -7.949 -9.722 0.027 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.849 -10.708 0.144 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.243 -9.695 1.285 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.775 -11.316 1.381 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.768 -10.680 2.097 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.196 -8.865 1.724 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.309 -10.927 3.397 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.749 -9.125 3.025 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.267 -10.113 3.854 1.00 0.00 C ATOM 0 H TRP A 77 -9.748 -8.415 0.180 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.595 -6.767 -0.691 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.068 -9.304 -2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.630 -8.669 -1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.545 -10.991 -0.632 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.353 -12.090 1.709 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.770 -8.088 1.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.736 -11.704 4.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.946 -8.515 3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.867 -10.252 4.847 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.049 -7.389 -2.790 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.653 -6.972 -4.044 1.00 0.00 C ATOM 1225 C ASP A 78 -10.678 -5.443 -4.110 1.00 0.00 C ATOM 1226 O ASP A 78 -10.401 -4.859 -5.157 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.094 -7.473 -4.155 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.311 -8.599 -5.169 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.240 -8.294 -6.379 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -12.543 -9.738 -4.711 1.00 0.00 O ATOM 0 H ASP A 78 -10.595 -8.067 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.062 -7.391 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.419 -7.820 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.735 -6.633 -4.424 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.012 -4.840 -2.979 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.077 -3.390 -2.896 1.00 0.00 C ATOM 1237 C ALA A 79 -9.660 -2.816 -2.959 1.00 0.00 C ATOM 1238 O ALA A 79 -9.384 -1.923 -3.758 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.813 -2.985 -1.617 1.00 0.00 C ATOM 0 H ALA A 79 -11.240 -5.328 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.636 -2.982 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.862 -1.898 -1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.823 -3.393 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.278 -3.375 -0.751 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.800 -3.353 -2.107 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.418 -2.905 -2.056 1.00 0.00 C ATOM 1247 C ALA A 80 -6.880 -2.765 -3.481 1.00 0.00 C ATOM 1248 O ALA A 80 -6.357 -1.714 -3.850 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.595 -3.884 -1.216 1.00 0.00 C ATOM 0 H ALA A 80 -9.033 -4.094 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.348 -1.927 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.559 -3.548 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.001 -3.926 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.639 -4.876 -1.666 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.027 -3.838 -4.244 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.562 -3.847 -5.620 1.00 0.00 C ATOM 1257 C ASP A 81 -7.177 -2.664 -6.370 1.00 0.00 C ATOM 1258 O ASP A 81 -6.458 -1.815 -6.895 1.00 0.00 O ATOM 1259 CB ASP A 81 -6.985 -5.132 -6.336 1.00 0.00 C ATOM 1260 CG ASP A 81 -7.005 -5.044 -7.863 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -7.855 -4.285 -8.377 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -6.171 -5.739 -8.483 1.00 0.00 O ATOM 0 H ASP A 81 -7.462 -4.707 -3.935 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.474 -3.782 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.308 -5.934 -6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.980 -5.412 -5.990 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.502 -2.646 -6.397 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.222 -1.581 -7.074 1.00 0.00 C ATOM 1269 C ASP A 82 -8.518 -0.248 -6.810 1.00 0.00 C ATOM 1270 O ASP A 82 -8.062 0.413 -7.743 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.656 -1.469 -6.554 1.00 0.00 C ATOM 1272 CG ASP A 82 -11.592 -0.619 -7.416 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.105 -0.105 -8.446 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.774 -0.502 -7.025 1.00 0.00 O ATOM 0 H ASP A 82 -9.095 -3.352 -5.961 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.242 -1.811 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.075 -2.472 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.630 -1.048 -5.549 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.452 0.108 -5.536 1.00 0.00 N ATOM 1280 CA ILE A 83 -7.812 1.350 -5.138 1.00 0.00 C ATOM 1281 C ILE A 83 -6.366 1.357 -5.638 1.00 0.00 C ATOM 1282 O ILE A 83 -5.949 2.284 -6.331 1.00 0.00 O ATOM 1283 CB ILE A 83 -7.941 1.560 -3.628 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.407 1.529 -3.193 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.240 2.848 -3.191 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.546 0.982 -1.771 1.00 0.00 C ATOM 0 H ILE A 83 -8.831 -0.442 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.314 2.201 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.439 0.734 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.826 2.534 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.981 0.910 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.347 2.973 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.182 2.791 -3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.691 3.699 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.598 0.971 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.148 -0.032 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.991 1.617 -1.081 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.640 0.312 -5.268 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.250 0.186 -5.670 1.00 0.00 C ATOM 1300 C HIS A 84 -4.107 0.563 -7.146 1.00 0.00 C ATOM 1301 O HIS A 84 -3.244 1.362 -7.506 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.720 -1.216 -5.362 1.00 0.00 C ATOM 1303 CG HIS A 84 -2.952 -1.846 -6.499 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.524 -2.743 -7.384 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -1.652 -1.699 -6.886 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.602 -3.113 -8.260 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.442 -2.465 -7.949 1.00 0.00 N ATOM 0 H HIS A 84 -5.989 -0.455 -4.694 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.636 0.878 -5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.074 -1.165 -4.485 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.559 -1.861 -5.102 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -4.492 -3.065 -7.365 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.918 -1.067 -6.408 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.743 -3.806 -9.077 1.00 0.00 H new ATOM 1315 N ARG A 85 -4.966 -0.032 -7.961 1.00 0.00 N ATOM 1316 CA ARG A 85 -4.946 0.232 -9.390 1.00 0.00 C ATOM 1317 C ARG A 85 -5.108 1.729 -9.656 1.00 0.00 C ATOM 1318 O ARG A 85 -4.348 2.312 -10.430 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.063 -0.530 -10.106 1.00 0.00 C ATOM 1320 CG ARG A 85 -5.650 -1.977 -10.383 1.00 0.00 C ATOM 1321 CD ARG A 85 -4.668 -2.052 -11.554 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.246 -3.453 -11.772 1.00 0.00 N ATOM 1323 CZ ARG A 85 -5.000 -4.380 -12.379 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -6.220 -4.059 -12.831 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -4.535 -5.627 -12.532 1.00 0.00 N ATOM 0 H ARG A 85 -5.680 -0.695 -7.659 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.985 -0.107 -9.776 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.966 -0.516 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.305 -0.031 -11.045 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.192 -2.405 -9.491 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.534 -2.575 -10.606 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.136 -1.660 -12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.797 -1.429 -11.350 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.323 -3.731 -11.439 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.574 -3.110 -12.713 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.794 -4.764 -13.293 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.607 -5.871 -12.186 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.109 -6.332 -12.994 1.00 0.00 H new ATOM 1339 N SER A 86 -6.101 2.311 -9.001 1.00 0.00 N ATOM 1340 CA SER A 86 -6.372 3.730 -9.157 1.00 0.00 C ATOM 1341 C SER A 86 -5.103 4.538 -8.881 1.00 0.00 C ATOM 1342 O SER A 86 -4.823 5.516 -9.572 1.00 0.00 O ATOM 1343 CB SER A 86 -7.501 4.181 -8.228 1.00 0.00 C ATOM 1344 OG SER A 86 -8.743 3.567 -8.561 1.00 0.00 O ATOM 0 H SER A 86 -6.729 1.825 -8.360 1.00 0.00 H new ATOM 0 HA SER A 86 -6.691 3.906 -10.184 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.241 3.939 -7.198 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.606 5.265 -8.284 1.00 0.00 H new ATOM 0 HG SER A 86 -8.700 2.610 -8.356 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.369 4.100 -7.869 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.136 4.770 -7.493 1.00 0.00 C ATOM 1352 C LEU A 87 -2.068 4.497 -8.553 1.00 0.00 C ATOM 1353 O LEU A 87 -1.209 5.340 -8.807 1.00 0.00 O ATOM 1354 CB LEU A 87 -2.716 4.366 -6.078 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.174 5.294 -4.951 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -2.879 4.680 -3.581 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.555 6.685 -5.101 1.00 0.00 C ATOM 0 H LEU A 87 -4.605 3.289 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.284 5.849 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.101 3.366 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.628 4.300 -6.048 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.255 5.413 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.214 5.360 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.405 3.730 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.807 4.512 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.897 7.325 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.468 6.605 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.858 7.117 -6.055 1.00 0.00 H new ATOM 1369 N MET A 88 -2.156 3.315 -9.145 1.00 0.00 N ATOM 1370 CA MET A 88 -1.207 2.919 -10.172 1.00 0.00 C ATOM 1371 C MET A 88 -1.653 3.414 -11.550 1.00 0.00 C ATOM 1372 O MET A 88 -0.905 3.317 -12.521 1.00 0.00 O ATOM 1373 CB MET A 88 -1.082 1.395 -10.193 1.00 0.00 C ATOM 1374 CG MET A 88 -0.562 0.905 -11.546 1.00 0.00 C ATOM 1375 SD MET A 88 0.100 -0.745 -11.385 1.00 0.00 S ATOM 1376 CE MET A 88 1.761 -0.362 -10.857 1.00 0.00 C ATOM 0 H MET A 88 -2.870 2.618 -8.933 1.00 0.00 H new ATOM 0 HA MET A 88 -0.241 3.368 -9.940 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.407 1.071 -9.401 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.053 0.944 -9.988 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.369 0.912 -12.279 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.210 1.581 -11.915 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.250 -1.271 -10.506 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.323 0.052 -11.694 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.726 0.367 -10.048 1.00 0.00 H new ATOM 1386 N VAL A 89 -2.871 3.934 -11.591 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.426 4.444 -12.833 1.00 0.00 C ATOM 1388 C VAL A 89 -2.891 5.855 -13.085 1.00 0.00 C ATOM 1389 O VAL A 89 -2.393 6.149 -14.170 1.00 0.00 O ATOM 1390 CB VAL A 89 -4.954 4.384 -12.787 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -5.567 5.099 -13.993 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.444 2.937 -12.700 1.00 0.00 C ATOM 0 H VAL A 89 -3.489 4.013 -10.784 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.114 3.823 -13.673 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.283 4.903 -11.887 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.654 5.042 -13.936 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.258 6.144 -13.992 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.226 4.621 -14.911 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.533 2.923 -12.669 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.099 2.383 -13.573 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.049 2.473 -11.796 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.011 6.690 -12.063 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.545 8.062 -12.160 1.00 0.00 C ATOM 1404 C ASP A 90 -1.130 8.158 -11.585 1.00 0.00 C ATOM 1405 O ASP A 90 -0.168 8.362 -12.324 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.444 9.007 -11.361 1.00 0.00 C ATOM 1407 CG ASP A 90 -3.022 10.478 -11.385 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -1.798 10.718 -11.311 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -3.933 11.328 -11.478 1.00 0.00 O ATOM 0 H ASP A 90 -3.424 6.442 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.562 8.350 -13.211 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.460 8.930 -11.747 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.470 8.669 -10.325 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.048 8.006 -10.271 1.00 0.00 N ATOM 1415 CA HIS A 91 0.233 8.072 -9.588 1.00 0.00 C ATOM 1416 C HIS A 91 1.016 6.782 -9.839 1.00 0.00 C ATOM 1417 O HIS A 91 1.330 6.050 -8.901 1.00 0.00 O ATOM 1418 CB HIS A 91 0.041 8.370 -8.100 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.145 9.255 -7.799 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.015 10.586 -7.441 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.482 8.988 -7.807 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.226 11.086 -7.244 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.134 10.094 -7.471 1.00 0.00 N ATOM 0 H HIS A 91 -1.848 7.837 -9.661 1.00 0.00 H new ATOM 0 HA HIS A 91 0.821 8.897 -9.990 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.076 7.428 -7.564 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.943 8.846 -7.716 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.934 8.037 -8.046 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.454 12.101 -6.954 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.147 10.187 -7.395 1.00 0.00 H new ATOM 1431 N VAL A 92 1.307 6.541 -11.109 1.00 0.00 N ATOM 1432 CA VAL A 92 2.047 5.351 -11.494 1.00 0.00 C ATOM 1433 C VAL A 92 3.547 5.637 -11.402 1.00 0.00 C ATOM 1434 O VAL A 92 4.361 4.714 -11.419 1.00 0.00 O ATOM 1435 CB VAL A 92 1.610 4.892 -12.886 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.134 5.840 -13.967 1.00 0.00 C ATOM 1437 CG2 VAL A 92 2.059 3.454 -13.155 1.00 0.00 C ATOM 0 H VAL A 92 1.044 7.149 -11.884 1.00 0.00 H new ATOM 0 HA VAL A 92 1.831 4.529 -10.812 1.00 0.00 H new ATOM 0 HB VAL A 92 0.521 4.916 -12.919 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.809 5.490 -14.947 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.744 6.843 -13.792 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.223 5.864 -13.933 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.736 3.152 -14.151 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.146 3.394 -13.093 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.616 2.790 -12.413 1.00 0.00 H new ATOM 1447 N THR A 93 3.869 6.919 -11.308 1.00 0.00 N ATOM 1448 CA THR A 93 5.257 7.338 -11.214 1.00 0.00 C ATOM 1449 C THR A 93 5.642 7.581 -9.753 1.00 0.00 C ATOM 1450 O THR A 93 6.819 7.757 -9.439 1.00 0.00 O ATOM 1451 CB THR A 93 5.441 8.568 -12.104 1.00 0.00 C ATOM 1452 OG1 THR A 93 4.793 9.616 -11.386 1.00 0.00 O ATOM 1453 CG2 THR A 93 4.652 8.469 -13.411 1.00 0.00 C ATOM 0 H THR A 93 3.192 7.682 -11.295 1.00 0.00 H new ATOM 0 HA THR A 93 5.931 6.559 -11.570 1.00 0.00 H new ATOM 0 HB THR A 93 6.500 8.698 -12.328 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.866 10.452 -11.891 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.818 9.368 -14.005 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.986 7.596 -13.972 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.589 8.372 -13.188 1.00 0.00 H new ATOM 1461 N GLU A 94 4.629 7.582 -8.900 1.00 0.00 N ATOM 1462 CA GLU A 94 4.848 7.801 -7.480 1.00 0.00 C ATOM 1463 C GLU A 94 4.742 6.479 -6.717 1.00 0.00 C ATOM 1464 O GLU A 94 5.712 6.029 -6.109 1.00 0.00 O ATOM 1465 CB GLU A 94 3.864 8.833 -6.926 1.00 0.00 C ATOM 1466 CG GLU A 94 4.211 10.240 -7.418 1.00 0.00 C ATOM 1467 CD GLU A 94 5.283 10.881 -6.534 1.00 0.00 C ATOM 1468 OE1 GLU A 94 6.312 10.208 -6.312 1.00 0.00 O ATOM 1469 OE2 GLU A 94 5.048 12.030 -6.100 1.00 0.00 O ATOM 0 H GLU A 94 3.655 7.435 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 94 5.854 8.197 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.850 8.576 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.882 8.810 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.565 10.192 -8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.315 10.861 -7.417 1.00 0.00 H new ATOM 1476 N VAL A 95 3.555 5.893 -6.773 1.00 0.00 N ATOM 1477 CA VAL A 95 3.310 4.632 -6.095 1.00 0.00 C ATOM 1478 C VAL A 95 4.338 3.599 -6.561 1.00 0.00 C ATOM 1479 O VAL A 95 4.757 2.741 -5.786 1.00 0.00 O ATOM 1480 CB VAL A 95 1.865 4.184 -6.328 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.882 5.306 -5.986 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.666 3.700 -7.766 1.00 0.00 C ATOM 0 H VAL A 95 2.752 6.269 -7.278 1.00 0.00 H new ATOM 0 HA VAL A 95 3.431 4.748 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 95 1.662 3.346 -5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.138 4.962 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.997 5.584 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.085 6.172 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.631 3.388 -7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.896 4.510 -8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.329 2.857 -7.961 1.00 0.00 H new ATOM 1492 N SER A 96 4.714 3.715 -7.826 1.00 0.00 N ATOM 1493 CA SER A 96 5.685 2.802 -8.405 1.00 0.00 C ATOM 1494 C SER A 96 6.967 2.802 -7.569 1.00 0.00 C ATOM 1495 O SER A 96 7.131 3.634 -6.678 1.00 0.00 O ATOM 1496 CB SER A 96 5.998 3.177 -9.855 1.00 0.00 C ATOM 1497 OG SER A 96 6.274 4.567 -9.999 1.00 0.00 O ATOM 0 H SER A 96 4.364 4.427 -8.466 1.00 0.00 H new ATOM 0 HA SER A 96 5.256 1.800 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.855 2.599 -10.202 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.154 2.907 -10.490 1.00 0.00 H new ATOM 0 HG SER A 96 5.695 4.945 -10.694 1.00 0.00 H new ATOM 1503 N GLN A 97 7.842 1.859 -7.886 1.00 0.00 N ATOM 1504 CA GLN A 97 9.104 1.740 -7.175 1.00 0.00 C ATOM 1505 C GLN A 97 8.877 1.132 -5.789 1.00 0.00 C ATOM 1506 O GLN A 97 9.825 0.940 -5.029 1.00 0.00 O ATOM 1507 CB GLN A 97 9.804 3.096 -7.070 1.00 0.00 C ATOM 1508 CG GLN A 97 11.103 3.107 -7.880 1.00 0.00 C ATOM 1509 CD GLN A 97 12.250 3.711 -7.068 1.00 0.00 C ATOM 1510 OE1 GLN A 97 13.086 3.017 -6.514 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.243 5.041 -7.028 1.00 0.00 N ATOM 0 H GLN A 97 7.702 1.170 -8.625 1.00 0.00 H new ATOM 0 HA GLN A 97 9.756 1.074 -7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.140 3.881 -7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.021 3.317 -6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.359 2.090 -8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.960 3.680 -8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.513 5.562 -7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.967 5.539 -6.511 1.00 0.00 H new ATOM 1520 N TRP A 98 7.615 0.846 -5.503 1.00 0.00 N ATOM 1521 CA TRP A 98 7.252 0.263 -4.223 1.00 0.00 C ATOM 1522 C TRP A 98 5.870 -0.377 -4.369 1.00 0.00 C ATOM 1523 O TRP A 98 5.659 -1.510 -3.940 1.00 0.00 O ATOM 1524 CB TRP A 98 7.311 1.309 -3.108 1.00 0.00 C ATOM 1525 CG TRP A 98 6.295 2.443 -3.264 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.483 3.649 -3.818 1.00 0.00 C ATOM 1527 CD2 TRP A 98 4.916 2.427 -2.837 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.332 4.408 -3.779 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.349 3.642 -3.164 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.174 1.420 -2.197 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.014 3.963 -2.889 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 2.841 1.756 -1.929 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.255 2.975 -2.251 1.00 0.00 C ATOM 0 H TRP A 98 6.832 1.007 -6.136 1.00 0.00 H new ATOM 0 HA TRP A 98 7.965 -0.510 -3.936 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.144 0.815 -2.151 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.314 1.735 -3.076 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.418 3.984 -4.242 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.222 5.357 -4.136 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.598 0.463 -1.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.593 4.921 -3.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.225 1.017 -1.438 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.218 3.159 -2.010 1.00 0.00 H new ATOM 1544 N MET A 99 4.966 0.376 -4.977 1.00 0.00 N ATOM 1545 CA MET A 99 3.610 -0.104 -5.186 1.00 0.00 C ATOM 1546 C MET A 99 3.604 -1.591 -5.543 1.00 0.00 C ATOM 1547 O MET A 99 2.805 -2.359 -5.009 1.00 0.00 O ATOM 1548 CB MET A 99 2.954 0.695 -6.314 1.00 0.00 C ATOM 1549 CG MET A 99 1.596 0.098 -6.690 1.00 0.00 C ATOM 1550 SD MET A 99 0.290 1.238 -6.264 1.00 0.00 S ATOM 1551 CE MET A 99 0.260 1.027 -4.491 1.00 0.00 C ATOM 0 H MET A 99 5.145 1.315 -5.332 1.00 0.00 H new ATOM 0 HA MET A 99 3.050 0.030 -4.260 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.826 1.732 -6.003 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.607 0.702 -7.187 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.567 -0.118 -7.758 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.449 -0.848 -6.169 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.456 1.723 -4.054 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.034 0.005 -4.251 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.252 1.224 -4.084 1.00 0.00 H new ATOM 1561 N VAL A 100 4.505 -1.955 -6.444 1.00 0.00 N ATOM 1562 CA VAL A 100 4.614 -3.337 -6.879 1.00 0.00 C ATOM 1563 C VAL A 100 4.566 -4.256 -5.658 1.00 0.00 C ATOM 1564 O VAL A 100 3.865 -5.267 -5.664 1.00 0.00 O ATOM 1565 CB VAL A 100 5.879 -3.523 -7.720 1.00 0.00 C ATOM 1566 CG1 VAL A 100 5.815 -2.687 -8.999 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.131 -3.187 -6.907 1.00 0.00 C ATOM 0 H VAL A 100 5.167 -1.316 -6.885 1.00 0.00 H new ATOM 0 HA VAL A 100 3.773 -3.604 -7.519 1.00 0.00 H new ATOM 0 HB VAL A 100 5.938 -4.572 -8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.726 -2.838 -9.578 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.953 -2.994 -9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.720 -1.632 -8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.016 -3.327 -7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.081 -2.150 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.188 -3.844 -6.039 1.00 0.00 H new ATOM 1577 N GLY A 101 5.322 -3.873 -4.639 1.00 0.00 N ATOM 1578 CA GLY A 101 5.375 -4.651 -3.413 1.00 0.00 C ATOM 1579 C GLY A 101 3.981 -4.807 -2.801 1.00 0.00 C ATOM 1580 O GLY A 101 3.513 -5.924 -2.590 1.00 0.00 O ATOM 0 H GLY A 101 5.903 -3.034 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.797 -5.634 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.038 -4.164 -2.698 1.00 0.00 H new ATOM 1584 N VAL A 102 3.357 -3.669 -2.534 1.00 0.00 N ATOM 1585 CA VAL A 102 2.026 -3.665 -1.952 1.00 0.00 C ATOM 1586 C VAL A 102 1.115 -4.589 -2.763 1.00 0.00 C ATOM 1587 O VAL A 102 0.399 -5.413 -2.196 1.00 0.00 O ATOM 1588 CB VAL A 102 1.497 -2.231 -1.864 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.051 -2.210 -1.365 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.397 -1.368 -0.977 1.00 0.00 C ATOM 0 H VAL A 102 3.749 -2.744 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 102 2.055 -4.050 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 102 1.511 -1.806 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.301 -1.180 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.579 -2.773 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.001 -2.662 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.999 -0.354 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.431 -1.790 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.404 -1.344 -1.394 1.00 0.00 H new ATOM 1600 N LYS A 103 1.173 -4.421 -4.075 1.00 0.00 N ATOM 1601 CA LYS A 103 0.363 -5.231 -4.970 1.00 0.00 C ATOM 1602 C LYS A 103 0.477 -6.701 -4.564 1.00 0.00 C ATOM 1603 O LYS A 103 -0.531 -7.399 -4.455 1.00 0.00 O ATOM 1604 CB LYS A 103 0.745 -4.964 -6.427 1.00 0.00 C ATOM 1605 CG LYS A 103 0.016 -5.924 -7.370 1.00 0.00 C ATOM 1606 CD LYS A 103 -0.031 -5.365 -8.793 1.00 0.00 C ATOM 1607 CE LYS A 103 -0.689 -6.360 -9.751 1.00 0.00 C ATOM 1608 NZ LYS A 103 0.335 -7.043 -10.573 1.00 0.00 N ATOM 0 H LYS A 103 1.768 -3.736 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.689 -4.957 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.499 -3.935 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.822 -5.075 -6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.520 -6.890 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.998 -6.094 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.585 -4.426 -8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.980 -5.141 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.259 -7.096 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.395 -5.839 -10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.129 -7.715 -11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.862 -6.338 -11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.993 -7.557 -9.952 1.00 0.00 H new ATOM 1622 N ARG A 104 1.712 -7.130 -4.350 1.00 0.00 N ATOM 1623 CA ARG A 104 1.971 -8.505 -3.958 1.00 0.00 C ATOM 1624 C ARG A 104 1.459 -8.757 -2.539 1.00 0.00 C ATOM 1625 O ARG A 104 0.758 -9.737 -2.293 1.00 0.00 O ATOM 1626 CB ARG A 104 3.466 -8.823 -4.019 1.00 0.00 C ATOM 1627 CG ARG A 104 3.722 -10.306 -3.745 1.00 0.00 C ATOM 1628 CD ARG A 104 3.243 -11.170 -4.913 1.00 0.00 C ATOM 1629 NE ARG A 104 4.288 -11.231 -5.960 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.377 -10.370 -6.982 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.486 -9.376 -7.102 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.359 -10.501 -7.885 1.00 0.00 N ATOM 0 H ARG A 104 2.545 -6.549 -4.441 1.00 0.00 H new ATOM 0 HA ARG A 104 1.445 -9.154 -4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.858 -8.558 -5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.001 -8.217 -3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.787 -10.470 -3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.207 -10.605 -2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.010 -12.175 -4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.324 -10.757 -5.329 1.00 0.00 H new ATOM 0 HE ARG A 104 4.983 -11.975 -5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.739 -9.275 -6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.555 -8.721 -7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.038 -11.256 -7.794 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.427 -9.845 -8.663 1.00 0.00 H new ATOM 1646 N LEU A 105 1.830 -7.855 -1.641 1.00 0.00 N ATOM 1647 CA LEU A 105 1.417 -7.968 -0.253 1.00 0.00 C ATOM 1648 C LEU A 105 -0.044 -8.416 -0.194 1.00 0.00 C ATOM 1649 O LEU A 105 -0.363 -9.425 0.433 1.00 0.00 O ATOM 1650 CB LEU A 105 1.691 -6.661 0.495 1.00 0.00 C ATOM 1651 CG LEU A 105 1.651 -6.741 2.022 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.029 -6.455 2.622 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.574 -5.816 2.592 1.00 0.00 C ATOM 0 H LEU A 105 2.412 -7.043 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 105 2.004 -8.731 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.673 -6.293 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.961 -5.920 0.171 1.00 0.00 H new ATOM 0 HG LEU A 105 1.382 -7.759 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.973 -6.518 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.746 -7.188 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.351 -5.455 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.567 -5.892 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.787 -4.787 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.401 -6.109 2.202 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.893 -7.644 -0.856 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.314 -7.949 -0.887 1.00 0.00 C ATOM 1667 C ILE A 106 -2.504 -9.448 -1.127 1.00 0.00 C ATOM 1668 O ILE A 106 -3.002 -10.161 -0.257 1.00 0.00 O ATOM 1669 CB ILE A 106 -3.029 -7.067 -1.913 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.885 -5.586 -1.557 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.494 -7.480 -2.065 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.931 -4.713 -2.813 1.00 0.00 C ATOM 0 H ILE A 106 -0.625 -6.808 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.774 -7.718 0.074 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.551 -7.214 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.684 -5.293 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.944 -5.424 -1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.979 -6.837 -2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.547 -8.516 -2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.001 -7.381 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.827 -3.665 -2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.116 -4.993 -3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.883 -4.859 -3.323 1.00 0.00 H new ATOM 1684 N ALA A 107 -2.098 -9.882 -2.311 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.217 -11.283 -2.676 1.00 0.00 C ATOM 1686 C ALA A 107 -1.813 -12.153 -1.484 1.00 0.00 C ATOM 1687 O ALA A 107 -2.603 -12.966 -1.007 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.366 -11.562 -3.916 1.00 0.00 C ATOM 0 H ALA A 107 -1.686 -9.288 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.249 -11.527 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.455 -12.613 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.712 -10.941 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.323 -11.331 -3.701 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.582 -11.951 -1.036 1.00 0.00 N ATOM 1695 CA GLU A 108 -0.063 -12.707 0.092 1.00 0.00 C ATOM 1696 C GLU A 108 -1.046 -12.655 1.263 1.00 0.00 C ATOM 1697 O GLU A 108 -1.599 -13.680 1.659 1.00 0.00 O ATOM 1698 CB GLU A 108 1.316 -12.191 0.509 1.00 0.00 C ATOM 1699 CG GLU A 108 2.326 -12.343 -0.629 1.00 0.00 C ATOM 1700 CD GLU A 108 2.308 -13.766 -1.192 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.965 -14.629 -0.572 1.00 0.00 O ATOM 1702 OE2 GLU A 108 1.638 -13.957 -2.229 1.00 0.00 O ATOM 0 H GLU A 108 0.071 -11.275 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 108 0.052 -13.747 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.244 -11.142 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.664 -12.740 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.096 -11.631 -1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.326 -12.104 -0.267 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.234 -11.451 1.783 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.140 -11.253 2.901 1.00 0.00 C ATOM 1711 C LYS A 109 -3.417 -12.062 2.667 1.00 0.00 C ATOM 1712 O LYS A 109 -3.852 -12.810 3.542 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.392 -9.761 3.129 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.222 -9.115 3.874 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.241 -9.492 5.357 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.343 -8.734 6.101 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.542 -9.305 7.452 1.00 0.00 N ATOM 0 H LYS A 109 -0.774 -10.603 1.451 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.692 -11.622 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.537 -9.262 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.310 -9.627 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.281 -9.434 3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.274 -8.031 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.399 -10.565 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.273 -9.267 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.078 -7.680 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.274 -8.787 5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.293 -8.780 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.816 -10.305 7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.657 -9.232 7.993 1.00 0.00 H new ATOM 1731 N LYS A 110 -3.982 -11.887 1.481 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.200 -12.592 1.121 1.00 0.00 C ATOM 1733 C LYS A 110 -4.981 -14.097 1.285 1.00 0.00 C ATOM 1734 O LYS A 110 -5.632 -14.737 2.109 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.659 -12.187 -0.281 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.853 -13.031 -0.733 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.129 -12.835 -2.225 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.565 -13.233 -2.573 1.00 0.00 C ATOM 1739 NZ LYS A 110 -8.706 -13.441 -4.032 1.00 0.00 N ATOM 0 H LYS A 110 -3.618 -11.267 0.757 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.013 -12.313 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.932 -11.132 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.836 -12.308 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.656 -14.084 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.736 -12.756 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.961 -11.793 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.430 -13.433 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.835 -14.146 -2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.254 -12.456 -2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.686 -13.711 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.469 -12.561 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.062 -14.198 -4.339 1.00 0.00 H new ATOM 1753 N SER A 111 -4.061 -14.619 0.487 1.00 0.00 N ATOM 1754 CA SER A 111 -3.747 -16.037 0.533 1.00 0.00 C ATOM 1755 C SER A 111 -3.727 -16.521 1.985 1.00 0.00 C ATOM 1756 O SER A 111 -4.401 -17.491 2.329 1.00 0.00 O ATOM 1757 CB SER A 111 -2.405 -16.327 -0.142 1.00 0.00 C ATOM 1758 OG SER A 111 -2.548 -17.196 -1.262 1.00 0.00 O ATOM 0 H SER A 111 -3.523 -14.085 -0.195 1.00 0.00 H new ATOM 0 HA SER A 111 -4.521 -16.577 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.952 -15.390 -0.466 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.725 -16.777 0.581 1.00 0.00 H new ATOM 0 HG SER A 111 -1.670 -17.355 -1.667 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.946 -15.823 2.797 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.829 -16.170 4.203 1.00 0.00 C ATOM 1766 C LEU A 112 -4.219 -16.475 4.766 1.00 0.00 C ATOM 1767 O LEU A 112 -4.471 -17.582 5.241 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.084 -15.072 4.965 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.593 -14.933 4.654 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.146 -13.473 4.749 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.242 -15.848 5.552 1.00 0.00 C ATOM 0 H LEU A 112 -2.388 -15.019 2.508 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.230 -17.073 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.569 -14.119 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.196 -15.258 6.033 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.428 -15.253 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.918 -13.403 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.709 -12.873 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.328 -13.102 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.298 -15.730 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.077 -15.582 6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.053 -16.885 5.390 1.00 0.00 H new ATOM 1783 N SER A 113 -5.084 -15.474 4.695 1.00 0.00 N ATOM 1784 CA SER A 113 -6.441 -15.622 5.191 1.00 0.00 C ATOM 1785 C SER A 113 -6.999 -16.989 4.791 1.00 0.00 C ATOM 1786 O SER A 113 -7.413 -17.770 5.648 1.00 0.00 O ATOM 1787 CB SER A 113 -7.345 -14.505 4.665 1.00 0.00 C ATOM 1788 OG SER A 113 -8.715 -14.730 4.987 1.00 0.00 O ATOM 0 H SER A 113 -4.871 -14.557 4.301 1.00 0.00 H new ATOM 0 HA SER A 113 -6.417 -15.551 6.278 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.026 -13.552 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.235 -14.429 3.583 1.00 0.00 H new ATOM 0 HG SER A 113 -9.259 -13.994 4.635 1.00 0.00 H new ATOM 1794 N GLY A 114 -6.993 -17.238 3.490 1.00 0.00 N ATOM 1795 CA GLY A 114 -7.493 -18.497 2.966 1.00 0.00 C ATOM 1796 C GLY A 114 -8.694 -18.270 2.046 1.00 0.00 C ATOM 1797 O GLY A 114 -9.840 -18.321 2.490 1.00 0.00 O ATOM 0 H GLY A 114 -6.649 -16.588 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.701 -19.007 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.780 -19.150 3.790 1.00 0.00 H new ATOM 1801 N PRO A 115 -8.383 -18.017 0.746 1.00 0.00 N ATOM 1802 CA PRO A 115 -9.424 -17.782 -0.240 1.00 0.00 C ATOM 1803 C PRO A 115 -10.120 -19.089 -0.625 1.00 0.00 C ATOM 1804 O PRO A 115 -9.736 -20.161 -0.161 1.00 0.00 O ATOM 1805 CB PRO A 115 -8.714 -17.120 -1.410 1.00 0.00 C ATOM 1806 CG PRO A 115 -7.236 -17.430 -1.231 1.00 0.00 C ATOM 1807 CD PRO A 115 -7.037 -17.949 0.184 1.00 0.00 C ATOM 0 HA PRO A 115 -10.224 -17.144 0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -9.082 -17.508 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -8.890 -16.044 -1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -6.911 -18.173 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -6.635 -16.536 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -6.558 -18.928 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -6.399 -17.283 0.764 1.00 0.00 H new ATOM 1815 N SER A 116 -11.131 -18.956 -1.471 1.00 0.00 N ATOM 1816 CA SER A 116 -11.885 -20.114 -1.924 1.00 0.00 C ATOM 1817 C SER A 116 -12.951 -19.682 -2.932 1.00 0.00 C ATOM 1818 O SER A 116 -14.059 -19.310 -2.548 1.00 0.00 O ATOM 1819 CB SER A 116 -12.532 -20.844 -0.746 1.00 0.00 C ATOM 1820 OG SER A 116 -12.079 -22.191 -0.638 1.00 0.00 O ATOM 0 H SER A 116 -11.446 -18.065 -1.855 1.00 0.00 H new ATOM 0 HA SER A 116 -11.195 -20.804 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 116 -12.308 -20.311 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 116 -13.615 -20.834 -0.865 1.00 0.00 H new ATOM 0 HG SER A 116 -12.514 -22.622 0.127 1.00 0.00 H new ATOM 1826 N SER A 117 -12.580 -19.746 -4.202 1.00 0.00 N ATOM 1827 CA SER A 117 -13.491 -19.366 -5.268 1.00 0.00 C ATOM 1828 C SER A 117 -12.905 -19.764 -6.624 1.00 0.00 C ATOM 1829 O SER A 117 -12.098 -19.032 -7.195 1.00 0.00 O ATOM 1830 CB SER A 117 -13.781 -17.864 -5.236 1.00 0.00 C ATOM 1831 OG SER A 117 -14.868 -17.548 -4.370 1.00 0.00 O ATOM 0 H SER A 117 -11.661 -20.055 -4.517 1.00 0.00 H new ATOM 0 HA SER A 117 -14.433 -19.894 -5.117 1.00 0.00 H new ATOM 0 HB2 SER A 117 -12.889 -17.330 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.008 -17.517 -6.244 1.00 0.00 H new ATOM 0 HG SER A 117 -14.934 -18.227 -3.667 1.00 0.00 H new ATOM 1837 N GLY A 118 -13.334 -20.924 -7.100 1.00 0.00 N ATOM 1838 CA GLY A 118 -12.862 -21.428 -8.379 1.00 0.00 C ATOM 1839 C GLY A 118 -12.407 -22.884 -8.259 1.00 0.00 C ATOM 1840 O GLY A 118 -13.049 -23.686 -7.582 1.00 0.00 O ATOM 0 H GLY A 118 -14.003 -21.529 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.657 -21.352 -9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.035 -20.813 -8.734 1.00 0.00 H new TER 1844 GLY A 118