USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 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 36 THR OG1 : rot 14:sc= 0.669! USER MOD Set 1.2: A 37 HIS : no HD1:sc= -7.22! C(o=-6.7!,f=-8.1!) USER MOD Set 1.3: A 57 GLN : amide:sc= -0.132 X(o=-6.7,f=-6.9) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0365 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 18:sc= 0.148 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.478 USER MOD Single : A 26 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=-0.0056) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.97) USER MOD Single : A 32 SER OG : rot 78:sc= 0.0133 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0186 USER MOD Single : A 42 CYS SG : rot 150:sc= -1.23 USER MOD Single : A 43 SER OG : rot 180:sc= -0.959 USER MOD Single : A 46 SER OG : rot 180:sc= -0.232 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 150:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.542 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.903 F(o=-2.2!,f=-0.9) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 170:sc= 0.219 USER MOD Single : A 96 THR OG1 : rot -84:sc= 0.52 USER MOD Single : A 98 THR OG1 : rot 35:sc= 0.919 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.715 -28.774 -7.700 1.00 0.00 N ATOM 2 CA GLY A 1 -13.591 -29.569 -6.492 1.00 0.00 C ATOM 3 C GLY A 1 -12.327 -29.251 -5.717 1.00 0.00 C ATOM 4 O GLY A 1 -11.787 -28.151 -5.822 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.715 -28.538 -7.859 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.165 -27.898 -7.597 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.354 -29.316 -8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.458 -29.394 -5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.596 -30.627 -6.755 1.00 0.00 H new ATOM 8 N SER A 2 -11.856 -30.218 -4.935 1.00 0.00 N ATOM 9 CA SER A 2 -10.651 -30.034 -4.135 1.00 0.00 C ATOM 10 C SER A 2 -9.555 -29.355 -4.951 1.00 0.00 C ATOM 11 O SER A 2 -9.279 -29.745 -6.085 1.00 0.00 O ATOM 12 CB SER A 2 -10.152 -31.381 -3.609 1.00 0.00 C ATOM 13 OG SER A 2 -9.942 -32.296 -4.670 1.00 0.00 O ATOM 0 H SER A 2 -12.290 -31.136 -4.839 1.00 0.00 H new ATOM 0 HA SER A 2 -10.900 -29.392 -3.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.222 -31.238 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.878 -31.793 -2.908 1.00 0.00 H new ATOM 0 HG SER A 2 -9.622 -33.149 -4.308 1.00 0.00 H new ATOM 19 N SER A 3 -8.934 -28.337 -4.364 1.00 0.00 N ATOM 20 CA SER A 3 -7.870 -27.601 -5.037 1.00 0.00 C ATOM 21 C SER A 3 -6.835 -27.103 -4.033 1.00 0.00 C ATOM 22 O SER A 3 -7.116 -26.987 -2.841 1.00 0.00 O ATOM 23 CB SER A 3 -8.452 -26.419 -5.815 1.00 0.00 C ATOM 24 OG SER A 3 -8.953 -26.835 -7.074 1.00 0.00 O ATOM 0 H SER A 3 -9.149 -28.003 -3.424 1.00 0.00 H new ATOM 0 HA SER A 3 -7.378 -28.279 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.252 -25.957 -5.236 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.683 -25.660 -5.959 1.00 0.00 H new ATOM 0 HG SER A 3 -9.080 -27.807 -7.071 1.00 0.00 H new ATOM 30 N GLY A 4 -5.635 -26.809 -4.525 1.00 0.00 N ATOM 31 CA GLY A 4 -4.575 -26.327 -3.659 1.00 0.00 C ATOM 32 C GLY A 4 -4.017 -24.993 -4.114 1.00 0.00 C ATOM 33 O GLY A 4 -4.383 -23.945 -3.581 1.00 0.00 O ATOM 0 H GLY A 4 -5.378 -26.896 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.956 -26.230 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.771 -27.063 -3.629 1.00 0.00 H new ATOM 37 N SER A 5 -3.127 -25.031 -5.100 1.00 0.00 N ATOM 38 CA SER A 5 -2.512 -23.817 -5.622 1.00 0.00 C ATOM 39 C SER A 5 -1.982 -22.945 -4.488 1.00 0.00 C ATOM 40 O SER A 5 -2.265 -21.748 -4.426 1.00 0.00 O ATOM 41 CB SER A 5 -3.521 -23.028 -6.459 1.00 0.00 C ATOM 42 OG SER A 5 -3.679 -23.603 -7.744 1.00 0.00 O ATOM 0 H SER A 5 -2.816 -25.890 -5.554 1.00 0.00 H new ATOM 0 HA SER A 5 -1.674 -24.108 -6.255 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.483 -23.004 -5.947 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.187 -21.995 -6.558 1.00 0.00 H new ATOM 0 HG SER A 5 -4.330 -23.081 -8.258 1.00 0.00 H new ATOM 48 N SER A 6 -1.211 -23.554 -3.592 1.00 0.00 N ATOM 49 CA SER A 6 -0.644 -22.835 -2.457 1.00 0.00 C ATOM 50 C SER A 6 0.880 -22.857 -2.507 1.00 0.00 C ATOM 51 O SER A 6 1.502 -23.907 -2.352 1.00 0.00 O ATOM 52 CB SER A 6 -1.132 -23.448 -1.143 1.00 0.00 C ATOM 53 OG SER A 6 -2.479 -23.091 -0.883 1.00 0.00 O ATOM 0 H SER A 6 -0.965 -24.543 -3.630 1.00 0.00 H new ATOM 0 HA SER A 6 -0.977 -21.798 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.043 -24.533 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.498 -23.110 -0.323 1.00 0.00 H new ATOM 0 HG SER A 6 -2.768 -23.496 -0.039 1.00 0.00 H new ATOM 59 N GLY A 7 1.476 -21.689 -2.725 1.00 0.00 N ATOM 60 CA GLY A 7 2.923 -21.595 -2.791 1.00 0.00 C ATOM 61 C GLY A 7 3.508 -20.823 -1.625 1.00 0.00 C ATOM 62 O GLY A 7 2.899 -19.888 -1.104 1.00 0.00 O ATOM 0 H GLY A 7 0.983 -20.806 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.349 -22.598 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.210 -21.111 -3.724 1.00 0.00 H new ATOM 66 N PRO A 8 4.717 -21.215 -1.198 1.00 0.00 N ATOM 67 CA PRO A 8 5.411 -20.567 -0.081 1.00 0.00 C ATOM 68 C PRO A 8 5.882 -19.159 -0.429 1.00 0.00 C ATOM 69 O PRO A 8 6.917 -18.982 -1.074 1.00 0.00 O ATOM 70 CB PRO A 8 6.609 -21.485 0.173 1.00 0.00 C ATOM 71 CG PRO A 8 6.852 -22.161 -1.132 1.00 0.00 C ATOM 72 CD PRO A 8 5.501 -22.321 -1.773 1.00 0.00 C ATOM 0 HA PRO A 8 4.761 -20.442 0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.482 -20.917 0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.394 -22.208 0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.515 -21.567 -1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.332 -23.129 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.561 -22.249 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.059 -23.290 -1.541 1.00 0.00 H new ATOM 80 N LEU A 9 5.119 -18.161 0.001 1.00 0.00 N ATOM 81 CA LEU A 9 5.459 -16.768 -0.265 1.00 0.00 C ATOM 82 C LEU A 9 5.078 -15.879 0.915 1.00 0.00 C ATOM 83 O LEU A 9 3.907 -15.573 1.140 1.00 0.00 O ATOM 84 CB LEU A 9 4.753 -16.283 -1.532 1.00 0.00 C ATOM 85 CG LEU A 9 5.473 -15.192 -2.326 1.00 0.00 C ATOM 86 CD1 LEU A 9 6.892 -15.624 -2.660 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.702 -14.860 -3.595 1.00 0.00 C ATOM 0 H LEU A 9 4.260 -18.290 0.536 1.00 0.00 H new ATOM 0 HA LEU A 9 6.537 -16.705 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.598 -17.140 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.767 -15.911 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 9 5.524 -14.294 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.389 -14.835 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.442 -15.811 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.864 -16.535 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.229 -14.082 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.620 -15.753 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.705 -14.507 -3.333 1.00 0.00 H new ATOM 99 N PRO A 10 6.090 -15.453 1.686 1.00 0.00 N ATOM 100 CA PRO A 10 5.886 -14.591 2.854 1.00 0.00 C ATOM 101 C PRO A 10 5.458 -13.180 2.465 1.00 0.00 C ATOM 102 O PRO A 10 6.234 -12.401 1.911 1.00 0.00 O ATOM 103 CB PRO A 10 7.263 -14.568 3.522 1.00 0.00 C ATOM 104 CG PRO A 10 8.224 -14.850 2.419 1.00 0.00 C ATOM 105 CD PRO A 10 7.511 -15.779 1.476 1.00 0.00 C ATOM 0 HA PRO A 10 5.090 -14.961 3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.463 -13.601 3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.333 -15.318 4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.518 -13.930 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.136 -15.308 2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.813 -15.612 0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.722 -16.824 1.705 1.00 0.00 H new ATOM 113 N PRO A 11 4.195 -12.841 2.762 1.00 0.00 N ATOM 114 CA PRO A 11 3.636 -11.522 2.453 1.00 0.00 C ATOM 115 C PRO A 11 4.238 -10.420 3.319 1.00 0.00 C ATOM 116 O PRO A 11 4.952 -10.679 4.288 1.00 0.00 O ATOM 117 CB PRO A 11 2.145 -11.688 2.760 1.00 0.00 C ATOM 118 CG PRO A 11 2.084 -12.788 3.761 1.00 0.00 C ATOM 119 CD PRO A 11 3.215 -13.720 3.422 1.00 0.00 C ATOM 0 HA PRO A 11 3.843 -11.222 1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.718 -10.767 3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.581 -11.939 1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.189 -12.400 4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.125 -13.305 3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.631 -14.188 4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.889 -14.525 2.763 1.00 0.00 H new ATOM 127 N PRO A 12 3.944 -9.160 2.964 1.00 0.00 N ATOM 128 CA PRO A 12 4.446 -7.994 3.696 1.00 0.00 C ATOM 129 C PRO A 12 3.810 -7.858 5.075 1.00 0.00 C ATOM 130 O PRO A 12 2.593 -7.718 5.196 1.00 0.00 O ATOM 131 CB PRO A 12 4.047 -6.816 2.804 1.00 0.00 C ATOM 132 CG PRO A 12 2.871 -7.307 2.033 1.00 0.00 C ATOM 133 CD PRO A 12 3.099 -8.778 1.820 1.00 0.00 C ATOM 0 HA PRO A 12 5.518 -8.060 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.793 -5.938 3.398 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.863 -6.527 2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.945 -7.131 2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.783 -6.784 1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.161 -9.333 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.596 -8.974 0.870 1.00 0.00 H new ATOM 141 N ARG A 13 4.641 -7.898 6.112 1.00 0.00 N ATOM 142 CA ARG A 13 4.158 -7.780 7.482 1.00 0.00 C ATOM 143 C ARG A 13 4.557 -6.435 8.085 1.00 0.00 C ATOM 144 O ARG A 13 3.897 -5.931 8.993 1.00 0.00 O ATOM 145 CB ARG A 13 4.711 -8.919 8.340 1.00 0.00 C ATOM 146 CG ARG A 13 4.737 -8.605 9.827 1.00 0.00 C ATOM 147 CD ARG A 13 4.866 -9.869 10.662 1.00 0.00 C ATOM 148 NE ARG A 13 4.517 -9.639 12.061 1.00 0.00 N ATOM 149 CZ ARG A 13 4.213 -10.613 12.913 1.00 0.00 C ATOM 150 NH1 ARG A 13 4.216 -11.876 12.509 1.00 0.00 N ATOM 151 NH2 ARG A 13 3.906 -10.324 14.171 1.00 0.00 N ATOM 0 H ARG A 13 5.651 -8.011 6.029 1.00 0.00 H new ATOM 0 HA ARG A 13 3.070 -7.843 7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.107 -9.812 8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.723 -9.153 8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.571 -7.938 10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.825 -8.076 10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.219 -10.643 10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.888 -10.242 10.600 1.00 0.00 H new ATOM 0 HE ARG A 13 4.506 -8.678 12.403 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.452 -12.102 11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.982 -12.622 13.165 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.903 -9.354 14.485 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.673 -11.072 14.824 1.00 0.00 H new ATOM 165 N ALA A 14 5.641 -5.862 7.573 1.00 0.00 N ATOM 166 CA ALA A 14 6.127 -4.577 8.059 1.00 0.00 C ATOM 167 C ALA A 14 5.370 -3.423 7.411 1.00 0.00 C ATOM 168 O ALA A 14 5.953 -2.386 7.091 1.00 0.00 O ATOM 169 CB ALA A 14 7.620 -4.444 7.798 1.00 0.00 C ATOM 0 H ALA A 14 6.199 -6.267 6.822 1.00 0.00 H new ATOM 0 HA ALA A 14 5.952 -4.534 9.134 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.969 -3.479 8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.152 -5.243 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.810 -4.514 6.727 1.00 0.00 H new ATOM 175 N LEU A 15 4.069 -3.609 7.219 1.00 0.00 N ATOM 176 CA LEU A 15 3.231 -2.583 6.607 1.00 0.00 C ATOM 177 C LEU A 15 2.849 -1.514 7.626 1.00 0.00 C ATOM 178 O LEU A 15 2.044 -1.757 8.526 1.00 0.00 O ATOM 179 CB LEU A 15 1.970 -3.213 6.014 1.00 0.00 C ATOM 180 CG LEU A 15 2.159 -3.993 4.712 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.123 -5.101 4.599 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.075 -3.058 3.514 1.00 0.00 C ATOM 0 H LEU A 15 3.571 -4.461 7.478 1.00 0.00 H new ATOM 0 HA LEU A 15 3.803 -2.110 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.539 -3.884 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.241 -2.422 5.838 1.00 0.00 H new ATOM 0 HG LEU A 15 3.149 -4.449 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.273 -5.645 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.230 -5.786 5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.123 -4.667 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.212 -3.630 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.099 -2.574 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.855 -2.300 3.589 1.00 0.00 H new ATOM 194 N THR A 16 3.429 -0.327 7.477 1.00 0.00 N ATOM 195 CA THR A 16 3.148 0.780 8.382 1.00 0.00 C ATOM 196 C THR A 16 3.182 2.115 7.647 1.00 0.00 C ATOM 197 O THR A 16 4.013 2.327 6.763 1.00 0.00 O ATOM 198 CB THR A 16 4.156 0.823 9.547 1.00 0.00 C ATOM 199 OG1 THR A 16 4.133 -0.418 10.261 1.00 0.00 O ATOM 200 CG2 THR A 16 3.836 1.967 10.497 1.00 0.00 C ATOM 0 H THR A 16 4.097 -0.108 6.738 1.00 0.00 H new ATOM 0 HA THR A 16 2.148 0.614 8.782 1.00 0.00 H new ATOM 0 HB THR A 16 5.151 0.984 9.132 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.777 -0.383 10.999 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.561 1.977 11.311 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.883 2.913 9.957 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.834 1.832 10.905 1.00 0.00 H new ATOM 208 N LEU A 17 2.274 3.012 8.016 1.00 0.00 N ATOM 209 CA LEU A 17 2.201 4.328 7.391 1.00 0.00 C ATOM 210 C LEU A 17 3.485 5.115 7.627 1.00 0.00 C ATOM 211 O LEU A 17 3.702 5.659 8.709 1.00 0.00 O ATOM 212 CB LEU A 17 1.004 5.107 7.938 1.00 0.00 C ATOM 213 CG LEU A 17 0.433 6.190 7.021 1.00 0.00 C ATOM 214 CD1 LEU A 17 1.533 7.133 6.559 1.00 0.00 C ATOM 215 CD2 LEU A 17 -0.271 5.562 5.827 1.00 0.00 C ATOM 0 H LEU A 17 1.578 2.852 8.745 1.00 0.00 H new ATOM 0 HA LEU A 17 2.076 4.187 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.209 4.398 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.298 5.573 8.878 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.299 6.768 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.108 7.897 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.992 7.609 7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.289 6.570 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.671 6.348 5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.439 4.959 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.087 4.929 6.177 1.00 0.00 H new ATOM 227 N ALA A 18 4.334 5.173 6.605 1.00 0.00 N ATOM 228 CA ALA A 18 5.595 5.897 6.700 1.00 0.00 C ATOM 229 C ALA A 18 5.360 7.370 7.019 1.00 0.00 C ATOM 230 O ALA A 18 5.960 7.918 7.943 1.00 0.00 O ATOM 231 CB ALA A 18 6.384 5.755 5.406 1.00 0.00 C ATOM 0 H ALA A 18 4.171 4.727 5.702 1.00 0.00 H new ATOM 0 HA ALA A 18 6.174 5.463 7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.324 6.301 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.592 4.701 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.802 6.161 4.579 1.00 0.00 H new ATOM 237 N ALA A 19 4.483 8.005 6.248 1.00 0.00 N ATOM 238 CA ALA A 19 4.168 9.414 6.450 1.00 0.00 C ATOM 239 C ALA A 19 2.762 9.738 5.958 1.00 0.00 C ATOM 240 O ALA A 19 2.402 9.422 4.823 1.00 0.00 O ATOM 241 CB ALA A 19 5.192 10.290 5.742 1.00 0.00 C ATOM 0 H ALA A 19 3.978 7.566 5.478 1.00 0.00 H new ATOM 0 HA ALA A 19 4.207 9.620 7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.945 11.340 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.185 10.086 6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.181 10.072 4.674 1.00 0.00 H new ATOM 247 N VAL A 20 1.969 10.368 6.819 1.00 0.00 N ATOM 248 CA VAL A 20 0.602 10.735 6.472 1.00 0.00 C ATOM 249 C VAL A 20 0.523 12.185 6.005 1.00 0.00 C ATOM 250 O VAL A 20 0.676 13.114 6.799 1.00 0.00 O ATOM 251 CB VAL A 20 -0.352 10.539 7.665 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.104 11.368 8.856 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.778 10.896 7.271 1.00 0.00 C ATOM 0 H VAL A 20 2.250 10.635 7.762 1.00 0.00 H new ATOM 0 HA VAL A 20 0.295 10.077 5.659 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.331 9.489 7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.582 11.216 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.107 11.060 9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.115 12.423 8.582 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.439 10.752 8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.818 11.938 6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.100 10.254 6.451 1.00 0.00 H new ATOM 263 N THR A 21 0.282 12.372 4.711 1.00 0.00 N ATOM 264 CA THR A 21 0.184 13.708 4.138 1.00 0.00 C ATOM 265 C THR A 21 -1.172 13.924 3.475 1.00 0.00 C ATOM 266 O THR A 21 -1.678 13.069 2.748 1.00 0.00 O ATOM 267 CB THR A 21 1.295 13.958 3.100 1.00 0.00 C ATOM 268 OG1 THR A 21 2.555 13.516 3.617 1.00 0.00 O ATOM 269 CG2 THR A 21 1.377 15.434 2.741 1.00 0.00 C ATOM 0 H THR A 21 0.151 11.615 4.040 1.00 0.00 H new ATOM 0 HA THR A 21 0.300 14.413 4.961 1.00 0.00 H new ATOM 0 HB THR A 21 1.055 13.394 2.198 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.256 13.676 2.951 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.168 15.586 2.007 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.425 15.760 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.597 16.015 3.637 1.00 0.00 H new ATOM 277 N PRO A 22 -1.777 15.093 3.730 1.00 0.00 N ATOM 278 CA PRO A 22 -3.083 15.449 3.167 1.00 0.00 C ATOM 279 C PRO A 22 -3.017 15.699 1.664 1.00 0.00 C ATOM 280 O PRO A 22 -3.997 16.123 1.052 1.00 0.00 O ATOM 281 CB PRO A 22 -3.450 16.737 3.907 1.00 0.00 C ATOM 282 CG PRO A 22 -2.144 17.324 4.317 1.00 0.00 C ATOM 283 CD PRO A 22 -1.233 16.159 4.588 1.00 0.00 C ATOM 0 HA PRO A 22 -3.812 14.648 3.291 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.006 17.419 3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.080 16.531 4.772 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.739 17.962 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.257 17.946 5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.199 16.390 4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.247 15.874 5.640 1.00 0.00 H new ATOM 291 N ARG A 23 -1.856 15.432 1.075 1.00 0.00 N ATOM 292 CA ARG A 23 -1.662 15.629 -0.357 1.00 0.00 C ATOM 293 C ARG A 23 -1.199 14.338 -1.025 1.00 0.00 C ATOM 294 O ARG A 23 -1.526 14.073 -2.183 1.00 0.00 O ATOM 295 CB ARG A 23 -0.641 16.740 -0.607 1.00 0.00 C ATOM 296 CG ARG A 23 -0.714 17.873 0.404 1.00 0.00 C ATOM 297 CD ARG A 23 0.574 18.681 0.428 1.00 0.00 C ATOM 298 NE ARG A 23 0.433 19.912 1.202 1.00 0.00 N ATOM 299 CZ ARG A 23 1.414 20.793 1.366 1.00 0.00 C ATOM 300 NH1 ARG A 23 2.600 20.580 0.814 1.00 0.00 N ATOM 301 NH2 ARG A 23 1.208 21.890 2.084 1.00 0.00 N ATOM 0 H ARG A 23 -1.035 15.079 1.567 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.618 15.920 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.361 16.312 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.796 17.146 -1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.551 18.527 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.908 17.465 1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.374 18.075 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.867 18.926 -0.593 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.467 20.106 1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.762 19.738 0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.351 21.258 0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.296 22.057 2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.961 22.566 2.210 1.00 0.00 H new ATOM 315 N THR A 24 -0.436 13.537 -0.289 1.00 0.00 N ATOM 316 CA THR A 24 0.074 12.275 -0.810 1.00 0.00 C ATOM 317 C THR A 24 0.152 11.219 0.286 1.00 0.00 C ATOM 318 O THR A 24 0.148 11.541 1.474 1.00 0.00 O ATOM 319 CB THR A 24 1.469 12.449 -1.440 1.00 0.00 C ATOM 320 OG1 THR A 24 2.479 12.338 -0.432 1.00 0.00 O ATOM 321 CG2 THR A 24 1.584 13.798 -2.134 1.00 0.00 C ATOM 0 H THR A 24 -0.157 13.740 0.671 1.00 0.00 H new ATOM 0 HA THR A 24 -0.625 11.946 -1.579 1.00 0.00 H new ATOM 0 HB THR A 24 1.609 11.663 -2.182 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.308 12.752 -0.752 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.577 13.899 -2.571 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.832 13.868 -2.920 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.425 14.595 -1.408 1.00 0.00 H new ATOM 329 N VAL A 25 0.225 9.955 -0.120 1.00 0.00 N ATOM 330 CA VAL A 25 0.306 8.851 0.829 1.00 0.00 C ATOM 331 C VAL A 25 1.583 8.043 0.624 1.00 0.00 C ATOM 332 O VAL A 25 1.909 7.650 -0.497 1.00 0.00 O ATOM 333 CB VAL A 25 -0.908 7.911 0.702 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.617 6.571 1.360 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.145 8.555 1.310 1.00 0.00 C ATOM 0 H VAL A 25 0.230 9.670 -1.099 1.00 0.00 H new ATOM 0 HA VAL A 25 0.313 9.291 1.826 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.100 7.735 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.486 5.920 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.242 6.107 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.398 6.724 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.993 7.878 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.966 8.762 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.363 9.487 0.789 1.00 0.00 H new ATOM 345 N HIS A 26 2.304 7.799 1.714 1.00 0.00 N ATOM 346 CA HIS A 26 3.546 7.037 1.654 1.00 0.00 C ATOM 347 C HIS A 26 3.465 5.796 2.538 1.00 0.00 C ATOM 348 O HIS A 26 3.023 5.867 3.686 1.00 0.00 O ATOM 349 CB HIS A 26 4.726 7.909 2.085 1.00 0.00 C ATOM 350 CG HIS A 26 6.057 7.368 1.661 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.251 7.807 2.193 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.377 6.417 0.753 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.249 7.151 1.628 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.746 6.301 0.751 1.00 0.00 N ATOM 0 H HIS A 26 2.049 8.118 2.649 1.00 0.00 H new ATOM 0 HA HIS A 26 3.698 6.718 0.623 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.600 8.908 1.668 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.714 8.012 3.170 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.685 5.854 0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.298 7.287 1.846 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.286 5.662 0.167 1.00 0.00 H new ATOM 363 N LEU A 27 3.894 4.661 1.998 1.00 0.00 N ATOM 364 CA LEU A 27 3.870 3.404 2.738 1.00 0.00 C ATOM 365 C LEU A 27 5.155 2.614 2.511 1.00 0.00 C ATOM 366 O LEU A 27 5.797 2.737 1.468 1.00 0.00 O ATOM 367 CB LEU A 27 2.661 2.565 2.318 1.00 0.00 C ATOM 368 CG LEU A 27 2.429 1.279 3.110 1.00 0.00 C ATOM 369 CD1 LEU A 27 2.040 1.599 4.545 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.360 0.427 2.443 1.00 0.00 C ATOM 0 H LEU A 27 4.263 4.585 1.050 1.00 0.00 H new ATOM 0 HA LEU A 27 3.791 3.637 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.768 3.185 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.773 2.305 1.265 1.00 0.00 H new ATOM 0 HG LEU A 27 3.360 0.712 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.879 0.671 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.839 2.168 5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.123 2.188 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.208 -0.485 3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.426 0.987 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.679 0.168 1.433 1.00 0.00 H new ATOM 382 N THR A 28 5.524 1.800 3.495 1.00 0.00 N ATOM 383 CA THR A 28 6.732 0.989 3.403 1.00 0.00 C ATOM 384 C THR A 28 6.538 -0.363 4.081 1.00 0.00 C ATOM 385 O THR A 28 5.865 -0.463 5.107 1.00 0.00 O ATOM 386 CB THR A 28 7.938 1.702 4.042 1.00 0.00 C ATOM 387 OG1 THR A 28 7.725 1.861 5.449 1.00 0.00 O ATOM 388 CG2 THR A 28 8.163 3.063 3.401 1.00 0.00 C ATOM 0 H THR A 28 5.004 1.685 4.365 1.00 0.00 H new ATOM 0 HA THR A 28 6.930 0.836 2.342 1.00 0.00 H new ATOM 0 HB THR A 28 8.824 1.089 3.877 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.497 2.314 5.848 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.020 3.548 3.868 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.354 2.936 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.276 3.681 3.539 1.00 0.00 H new ATOM 396 N TRP A 29 7.132 -1.400 3.501 1.00 0.00 N ATOM 397 CA TRP A 29 7.026 -2.747 4.051 1.00 0.00 C ATOM 398 C TRP A 29 8.299 -3.544 3.789 1.00 0.00 C ATOM 399 O TRP A 29 9.259 -3.026 3.221 1.00 0.00 O ATOM 400 CB TRP A 29 5.822 -3.472 3.447 1.00 0.00 C ATOM 401 CG TRP A 29 5.841 -3.508 1.948 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.513 -4.397 1.159 1.00 0.00 C ATOM 403 CD2 TRP A 29 5.158 -2.616 1.061 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.289 -4.110 -0.167 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.460 -3.023 -0.253 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.319 -1.515 1.249 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.954 -2.365 -1.371 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.817 -0.863 0.138 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.135 -1.290 -1.158 1.00 0.00 C ATOM 0 H TRP A 29 7.692 -1.334 2.651 1.00 0.00 H new ATOM 0 HA TRP A 29 6.888 -2.663 5.129 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.793 -4.493 3.828 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.907 -2.982 3.780 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.129 -5.206 1.523 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.677 -4.623 -0.958 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.067 -1.179 2.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.199 -2.692 -2.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.168 -0.010 0.271 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.726 -0.760 -2.005 1.00 0.00 H new ATOM 420 N GLN A 30 8.298 -4.806 4.207 1.00 0.00 N ATOM 421 CA GLN A 30 9.455 -5.673 4.018 1.00 0.00 C ATOM 422 C GLN A 30 9.353 -6.436 2.701 1.00 0.00 C ATOM 423 O GLN A 30 8.284 -6.901 2.305 1.00 0.00 O ATOM 424 CB GLN A 30 9.577 -6.657 5.182 1.00 0.00 C ATOM 425 CG GLN A 30 10.362 -6.108 6.363 1.00 0.00 C ATOM 426 CD GLN A 30 10.339 -7.035 7.562 1.00 0.00 C ATOM 427 OE1 GLN A 30 9.273 -7.388 8.068 1.00 0.00 O ATOM 428 NE2 GLN A 30 11.517 -7.436 8.023 1.00 0.00 N ATOM 0 H GLN A 30 7.510 -5.250 4.678 1.00 0.00 H new ATOM 0 HA GLN A 30 10.346 -5.046 3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.578 -6.935 5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.059 -7.568 4.828 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.395 -5.938 6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.951 -5.140 6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.376 -7.119 7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.564 -8.061 8.827 1.00 0.00 H new ATOM 437 N PRO A 31 10.491 -6.569 2.004 1.00 0.00 N ATOM 438 CA PRO A 31 10.556 -7.275 0.721 1.00 0.00 C ATOM 439 C PRO A 31 10.361 -8.779 0.877 1.00 0.00 C ATOM 440 O PRO A 31 10.600 -9.338 1.947 1.00 0.00 O ATOM 441 CB PRO A 31 11.969 -6.968 0.218 1.00 0.00 C ATOM 442 CG PRO A 31 12.758 -6.689 1.451 1.00 0.00 C ATOM 443 CD PRO A 31 11.803 -6.040 2.415 1.00 0.00 C ATOM 0 HA PRO A 31 9.768 -6.955 0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.384 -7.810 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.972 -6.111 -0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.169 -7.608 1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.601 -6.033 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.036 -6.300 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.838 -4.953 2.345 1.00 0.00 H new ATOM 451 N SER A 32 9.927 -9.429 -0.198 1.00 0.00 N ATOM 452 CA SER A 32 9.697 -10.869 -0.179 1.00 0.00 C ATOM 453 C SER A 32 10.951 -11.625 -0.606 1.00 0.00 C ATOM 454 O SER A 32 11.704 -11.167 -1.465 1.00 0.00 O ATOM 455 CB SER A 32 8.530 -11.233 -1.100 1.00 0.00 C ATOM 456 OG SER A 32 8.072 -12.550 -0.847 1.00 0.00 O ATOM 0 H SER A 32 9.728 -8.982 -1.093 1.00 0.00 H new ATOM 0 HA SER A 32 9.449 -11.159 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.713 -10.526 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.843 -11.147 -2.140 1.00 0.00 H new ATOM 0 HG SER A 32 7.523 -12.555 -0.035 1.00 0.00 H new ATOM 462 N ALA A 33 11.169 -12.788 0.001 1.00 0.00 N ATOM 463 CA ALA A 33 12.330 -13.609 -0.317 1.00 0.00 C ATOM 464 C ALA A 33 12.096 -14.424 -1.585 1.00 0.00 C ATOM 465 O ALA A 33 11.994 -15.649 -1.538 1.00 0.00 O ATOM 466 CB ALA A 33 12.661 -14.529 0.849 1.00 0.00 C ATOM 0 H ALA A 33 10.557 -13.182 0.715 1.00 0.00 H new ATOM 0 HA ALA A 33 13.176 -12.945 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.530 -15.137 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.880 -13.931 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.810 -15.179 1.052 1.00 0.00 H new ATOM 472 N GLY A 34 12.012 -13.734 -2.719 1.00 0.00 N ATOM 473 CA GLY A 34 11.790 -14.410 -3.984 1.00 0.00 C ATOM 474 C GLY A 34 10.959 -13.584 -4.944 1.00 0.00 C ATOM 475 O GLY A 34 11.206 -13.586 -6.150 1.00 0.00 O ATOM 0 H GLY A 34 12.094 -12.719 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.751 -14.638 -4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.290 -15.361 -3.801 1.00 0.00 H new ATOM 479 N ALA A 35 9.969 -12.876 -4.410 1.00 0.00 N ATOM 480 CA ALA A 35 9.099 -12.041 -5.229 1.00 0.00 C ATOM 481 C ALA A 35 9.897 -10.969 -5.962 1.00 0.00 C ATOM 482 O ALA A 35 10.432 -10.046 -5.345 1.00 0.00 O ATOM 483 CB ALA A 35 8.019 -11.401 -4.368 1.00 0.00 C ATOM 0 H ALA A 35 9.750 -12.864 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 35 8.624 -12.677 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.376 -10.780 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.422 -12.180 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.485 -10.784 -3.600 1.00 0.00 H new ATOM 489 N THR A 36 9.976 -11.095 -7.283 1.00 0.00 N ATOM 490 CA THR A 36 10.711 -10.139 -8.101 1.00 0.00 C ATOM 491 C THR A 36 9.989 -8.797 -8.160 1.00 0.00 C ATOM 492 O THR A 36 10.566 -7.788 -8.565 1.00 0.00 O ATOM 493 CB THR A 36 10.914 -10.664 -9.534 1.00 0.00 C ATOM 494 OG1 THR A 36 11.081 -9.566 -10.439 1.00 0.00 O ATOM 495 CG2 THR A 36 9.730 -11.513 -9.972 1.00 0.00 C ATOM 0 H THR A 36 9.539 -11.851 -7.810 1.00 0.00 H new ATOM 0 HA THR A 36 11.685 -10.004 -7.631 1.00 0.00 H new ATOM 0 HB THR A 36 11.810 -11.284 -9.547 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.251 -8.746 -9.930 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.896 -11.873 -10.987 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.623 -12.363 -9.299 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.821 -10.912 -9.944 1.00 0.00 H new ATOM 503 N HIS A 37 8.723 -8.793 -7.754 1.00 0.00 N ATOM 504 CA HIS A 37 7.922 -7.574 -7.760 1.00 0.00 C ATOM 505 C HIS A 37 6.714 -7.713 -6.839 1.00 0.00 C ATOM 506 O HIS A 37 6.351 -8.819 -6.438 1.00 0.00 O ATOM 507 CB HIS A 37 7.459 -7.250 -9.181 1.00 0.00 C ATOM 508 CG HIS A 37 6.830 -8.412 -9.886 1.00 0.00 C ATOM 509 ND1 HIS A 37 7.562 -9.412 -10.492 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.529 -8.732 -10.078 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.739 -10.295 -11.027 1.00 0.00 C ATOM 512 NE2 HIS A 37 5.499 -9.906 -10.790 1.00 0.00 N ATOM 0 H HIS A 37 8.230 -9.620 -7.417 1.00 0.00 H new ATOM 0 HA HIS A 37 8.545 -6.758 -7.393 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.744 -6.428 -9.143 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.313 -6.902 -9.762 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.674 -8.169 -9.735 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.030 -11.184 -11.567 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.656 -10.398 -11.087 1.00 0.00 H new ATOM 521 N TYR A 38 6.097 -6.585 -6.507 1.00 0.00 N ATOM 522 CA TYR A 38 4.932 -6.581 -5.630 1.00 0.00 C ATOM 523 C TYR A 38 3.754 -5.872 -6.292 1.00 0.00 C ATOM 524 O TYR A 38 3.933 -4.898 -7.025 1.00 0.00 O ATOM 525 CB TYR A 38 5.269 -5.901 -4.302 1.00 0.00 C ATOM 526 CG TYR A 38 6.675 -6.181 -3.819 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.087 -7.476 -3.532 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.590 -5.149 -3.648 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.369 -7.736 -3.089 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.875 -5.400 -3.208 1.00 0.00 C ATOM 531 CZ TYR A 38 9.260 -6.695 -2.930 1.00 0.00 C ATOM 532 OH TYR A 38 10.539 -6.949 -2.489 1.00 0.00 O ATOM 0 H TYR A 38 6.384 -5.662 -6.832 1.00 0.00 H new ATOM 0 HA TYR A 38 4.650 -7.616 -5.439 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.139 -4.824 -4.411 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.560 -6.233 -3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.393 -8.294 -3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.291 -4.134 -3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.672 -8.749 -2.868 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.574 -4.587 -3.082 1.00 0.00 H new ATOM 0 HH TYR A 38 11.039 -6.108 -2.432 1.00 0.00 H new ATOM 542 N LEU A 39 2.550 -6.367 -6.028 1.00 0.00 N ATOM 543 CA LEU A 39 1.341 -5.782 -6.596 1.00 0.00 C ATOM 544 C LEU A 39 0.642 -4.882 -5.582 1.00 0.00 C ATOM 545 O LEU A 39 0.210 -5.340 -4.524 1.00 0.00 O ATOM 546 CB LEU A 39 0.387 -6.884 -7.060 1.00 0.00 C ATOM 547 CG LEU A 39 -0.746 -6.444 -7.988 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.691 -5.496 -7.265 1.00 0.00 C ATOM 549 CD2 LEU A 39 -0.185 -5.787 -9.241 1.00 0.00 C ATOM 0 H LEU A 39 2.385 -7.172 -5.424 1.00 0.00 H new ATOM 0 HA LEU A 39 1.630 -5.175 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.970 -7.651 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.053 -7.351 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.309 -7.328 -8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.491 -5.194 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.119 -6.000 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.141 -4.614 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.006 -5.480 -9.890 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.403 -4.913 -8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.450 -6.497 -9.771 1.00 0.00 H new ATOM 561 N VAL A 40 0.532 -3.599 -5.913 1.00 0.00 N ATOM 562 CA VAL A 40 -0.117 -2.636 -5.032 1.00 0.00 C ATOM 563 C VAL A 40 -1.470 -2.207 -5.589 1.00 0.00 C ATOM 564 O VAL A 40 -1.557 -1.672 -6.694 1.00 0.00 O ATOM 565 CB VAL A 40 0.759 -1.386 -4.824 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.070 -0.239 -4.266 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.930 -1.704 -3.907 1.00 0.00 C ATOM 0 H VAL A 40 0.884 -3.203 -6.785 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.262 -3.133 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 40 1.157 -1.077 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.566 0.635 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.872 0.004 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.499 -0.533 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.539 -0.810 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.554 -2.038 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.537 -2.492 -4.352 1.00 0.00 H new ATOM 577 N ARG A 41 -2.525 -2.446 -4.816 1.00 0.00 N ATOM 578 CA ARG A 41 -3.874 -2.086 -5.232 1.00 0.00 C ATOM 579 C ARG A 41 -4.397 -0.905 -4.419 1.00 0.00 C ATOM 580 O ARG A 41 -4.537 -0.993 -3.198 1.00 0.00 O ATOM 581 CB ARG A 41 -4.815 -3.282 -5.077 1.00 0.00 C ATOM 582 CG ARG A 41 -4.860 -4.184 -6.299 1.00 0.00 C ATOM 583 CD ARG A 41 -5.461 -5.541 -5.969 1.00 0.00 C ATOM 584 NE ARG A 41 -5.675 -6.351 -7.165 1.00 0.00 N ATOM 585 CZ ARG A 41 -6.011 -7.636 -7.132 1.00 0.00 C ATOM 586 NH1 ARG A 41 -6.172 -8.253 -5.969 1.00 0.00 N ATOM 587 NH2 ARG A 41 -6.188 -8.306 -8.263 1.00 0.00 N ATOM 0 H ARG A 41 -2.470 -2.888 -3.898 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.838 -1.795 -6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.503 -3.870 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.821 -2.917 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.447 -3.706 -7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.852 -4.317 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.800 -6.073 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.410 -5.401 -5.452 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.560 -5.906 -8.076 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.038 -7.741 -5.097 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.430 -9.240 -5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.066 -7.835 -9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.446 -9.292 -8.236 1.00 0.00 H new ATOM 601 N CYS A 42 -4.683 0.197 -5.102 1.00 0.00 N ATOM 602 CA CYS A 42 -5.189 1.396 -4.443 1.00 0.00 C ATOM 603 C CYS A 42 -6.699 1.516 -4.618 1.00 0.00 C ATOM 604 O CYS A 42 -7.202 1.572 -5.740 1.00 0.00 O ATOM 605 CB CYS A 42 -4.498 2.641 -5.003 1.00 0.00 C ATOM 606 SG CYS A 42 -2.692 2.557 -4.977 1.00 0.00 S ATOM 0 H CYS A 42 -4.573 0.286 -6.112 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.970 1.316 -3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.829 2.796 -6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.819 3.511 -4.430 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.211 3.253 -5.964 1.00 0.00 H new ATOM 612 N SER A 43 -7.418 1.553 -3.500 1.00 0.00 N ATOM 613 CA SER A 43 -8.872 1.661 -3.529 1.00 0.00 C ATOM 614 C SER A 43 -9.388 2.382 -2.288 1.00 0.00 C ATOM 615 O SER A 43 -8.867 2.223 -1.184 1.00 0.00 O ATOM 616 CB SER A 43 -9.505 0.272 -3.626 1.00 0.00 C ATOM 617 OG SER A 43 -10.775 0.332 -4.253 1.00 0.00 O ATOM 0 H SER A 43 -7.017 1.510 -2.563 1.00 0.00 H new ATOM 0 HA SER A 43 -9.151 2.242 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.849 -0.391 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.609 -0.154 -2.628 1.00 0.00 H new ATOM 0 HG SER A 43 -11.157 -0.569 -4.304 1.00 0.00 H new ATOM 623 N PRO A 44 -10.438 3.196 -2.471 1.00 0.00 N ATOM 624 CA PRO A 44 -11.049 3.959 -1.379 1.00 0.00 C ATOM 625 C PRO A 44 -11.791 3.064 -0.392 1.00 0.00 C ATOM 626 O PRO A 44 -12.348 2.034 -0.770 1.00 0.00 O ATOM 627 CB PRO A 44 -12.030 4.887 -2.099 1.00 0.00 C ATOM 628 CG PRO A 44 -12.355 4.182 -3.370 1.00 0.00 C ATOM 629 CD PRO A 44 -11.110 3.434 -3.760 1.00 0.00 C ATOM 0 HA PRO A 44 -10.303 4.485 -0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.925 5.058 -1.501 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.584 5.863 -2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.194 3.499 -3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.644 4.891 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.345 2.499 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.486 4.017 -4.437 1.00 0.00 H new ATOM 637 N ALA A 45 -11.793 3.464 0.876 1.00 0.00 N ATOM 638 CA ALA A 45 -12.469 2.699 1.917 1.00 0.00 C ATOM 639 C ALA A 45 -13.982 2.856 1.819 1.00 0.00 C ATOM 640 O ALA A 45 -14.736 2.084 2.412 1.00 0.00 O ATOM 641 CB ALA A 45 -11.979 3.132 3.291 1.00 0.00 C ATOM 0 H ALA A 45 -11.334 4.313 1.207 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.230 1.645 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.492 2.553 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.905 2.962 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.189 4.192 3.435 1.00 0.00 H new ATOM 647 N SER A 46 -14.421 3.861 1.067 1.00 0.00 N ATOM 648 CA SER A 46 -15.845 4.121 0.895 1.00 0.00 C ATOM 649 C SER A 46 -16.383 3.407 -0.341 1.00 0.00 C ATOM 650 O SER A 46 -15.897 3.591 -1.457 1.00 0.00 O ATOM 651 CB SER A 46 -16.100 5.625 0.780 1.00 0.00 C ATOM 652 OG SER A 46 -17.443 5.888 0.411 1.00 0.00 O ATOM 0 H SER A 46 -13.811 4.508 0.568 1.00 0.00 H new ATOM 0 HA SER A 46 -16.367 3.737 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.880 6.108 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.425 6.056 0.040 1.00 0.00 H new ATOM 0 HG SER A 46 -17.581 6.856 0.346 1.00 0.00 H new ATOM 658 N PRO A 47 -17.412 2.570 -0.138 1.00 0.00 N ATOM 659 CA PRO A 47 -18.039 1.810 -1.224 1.00 0.00 C ATOM 660 C PRO A 47 -18.826 2.703 -2.177 1.00 0.00 C ATOM 661 O PRO A 47 -19.357 2.237 -3.185 1.00 0.00 O ATOM 662 CB PRO A 47 -18.981 0.853 -0.489 1.00 0.00 C ATOM 663 CG PRO A 47 -19.283 1.535 0.801 1.00 0.00 C ATOM 664 CD PRO A 47 -18.042 2.301 1.165 1.00 0.00 C ATOM 0 HA PRO A 47 -17.301 1.308 -1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.890 0.673 -1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.511 -0.116 -0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.138 2.203 0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -19.536 0.811 1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -18.280 3.224 1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -17.388 1.720 1.815 1.00 0.00 H new ATOM 672 N LYS A 48 -18.897 3.990 -1.852 1.00 0.00 N ATOM 673 CA LYS A 48 -19.618 4.950 -2.680 1.00 0.00 C ATOM 674 C LYS A 48 -18.950 5.103 -4.042 1.00 0.00 C ATOM 675 O LYS A 48 -17.838 5.620 -4.145 1.00 0.00 O ATOM 676 CB LYS A 48 -19.687 6.308 -1.978 1.00 0.00 C ATOM 677 CG LYS A 48 -20.055 7.453 -2.905 1.00 0.00 C ATOM 678 CD LYS A 48 -20.800 8.552 -2.166 1.00 0.00 C ATOM 679 CE LYS A 48 -21.012 9.773 -3.048 1.00 0.00 C ATOM 680 NZ LYS A 48 -22.289 9.692 -3.810 1.00 0.00 N ATOM 0 H LYS A 48 -18.464 4.392 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.630 4.574 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -20.419 6.254 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.722 6.520 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -19.151 7.864 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -20.674 7.078 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -21.765 8.175 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.239 8.838 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -21.014 10.671 -2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -20.179 9.867 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -22.396 10.543 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -22.277 8.849 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -23.086 9.628 -3.145 1.00 0.00 H new ATOM 694 N GLY A 49 -19.636 4.650 -5.087 1.00 0.00 N ATOM 695 CA GLY A 49 -19.093 4.747 -6.430 1.00 0.00 C ATOM 696 C GLY A 49 -18.922 3.391 -7.085 1.00 0.00 C ATOM 697 O GLY A 49 -19.161 3.240 -8.283 1.00 0.00 O ATOM 0 H GLY A 49 -20.558 4.218 -5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.753 5.362 -7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -18.129 5.254 -6.393 1.00 0.00 H new ATOM 701 N GLU A 50 -18.504 2.404 -6.299 1.00 0.00 N ATOM 702 CA GLU A 50 -18.299 1.055 -6.813 1.00 0.00 C ATOM 703 C GLU A 50 -17.416 1.074 -8.057 1.00 0.00 C ATOM 704 O GLU A 50 -17.628 0.305 -8.993 1.00 0.00 O ATOM 705 CB GLU A 50 -19.642 0.398 -7.138 1.00 0.00 C ATOM 706 CG GLU A 50 -19.611 -1.119 -7.070 1.00 0.00 C ATOM 707 CD GLU A 50 -20.997 -1.729 -6.995 1.00 0.00 C ATOM 708 OE1 GLU A 50 -21.907 -1.222 -7.684 1.00 0.00 O ATOM 709 OE2 GLU A 50 -21.171 -2.714 -6.247 1.00 0.00 O ATOM 0 H GLU A 50 -18.301 2.513 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.796 0.474 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -20.396 0.769 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -19.953 0.702 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.094 -1.508 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.035 -1.428 -6.198 1.00 0.00 H new ATOM 716 N GLU A 51 -16.425 1.961 -8.059 1.00 0.00 N ATOM 717 CA GLU A 51 -15.511 2.082 -9.188 1.00 0.00 C ATOM 718 C GLU A 51 -14.490 0.948 -9.186 1.00 0.00 C ATOM 719 O GLU A 51 -14.362 0.217 -8.205 1.00 0.00 O ATOM 720 CB GLU A 51 -14.791 3.432 -9.147 1.00 0.00 C ATOM 721 CG GLU A 51 -15.675 4.605 -9.533 1.00 0.00 C ATOM 722 CD GLU A 51 -16.039 4.603 -11.005 1.00 0.00 C ATOM 723 OE1 GLU A 51 -16.834 3.732 -11.417 1.00 0.00 O ATOM 724 OE2 GLU A 51 -15.529 5.470 -11.745 1.00 0.00 O ATOM 0 H GLU A 51 -16.235 2.606 -7.292 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.097 2.018 -10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.402 3.596 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.934 3.398 -9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.587 4.579 -8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.163 5.536 -9.291 1.00 0.00 H new ATOM 731 N GLU A 52 -13.766 0.809 -10.293 1.00 0.00 N ATOM 732 CA GLU A 52 -12.758 -0.237 -10.419 1.00 0.00 C ATOM 733 C GLU A 52 -11.540 0.074 -9.553 1.00 0.00 C ATOM 734 O GLU A 52 -11.158 1.233 -9.397 1.00 0.00 O ATOM 735 CB GLU A 52 -12.333 -0.393 -11.880 1.00 0.00 C ATOM 736 CG GLU A 52 -11.375 -1.549 -12.116 1.00 0.00 C ATOM 737 CD GLU A 52 -10.532 -1.363 -13.362 1.00 0.00 C ATOM 738 OE1 GLU A 52 -9.672 -0.457 -13.366 1.00 0.00 O ATOM 739 OE2 GLU A 52 -10.730 -2.123 -14.332 1.00 0.00 O ATOM 0 H GLU A 52 -13.859 1.407 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.197 -1.173 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.222 -0.538 -12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.862 0.532 -12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.720 -1.655 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.943 -2.475 -12.201 1.00 0.00 H new ATOM 746 N GLU A 53 -10.937 -0.970 -8.994 1.00 0.00 N ATOM 747 CA GLU A 53 -9.764 -0.807 -8.143 1.00 0.00 C ATOM 748 C GLU A 53 -8.508 -0.596 -8.983 1.00 0.00 C ATOM 749 O GLU A 53 -8.316 -1.252 -10.007 1.00 0.00 O ATOM 750 CB GLU A 53 -9.587 -2.030 -7.240 1.00 0.00 C ATOM 751 CG GLU A 53 -8.260 -2.055 -6.501 1.00 0.00 C ATOM 752 CD GLU A 53 -8.286 -2.961 -5.286 1.00 0.00 C ATOM 753 OE1 GLU A 53 -8.666 -4.141 -5.433 1.00 0.00 O ATOM 754 OE2 GLU A 53 -7.925 -2.489 -4.187 1.00 0.00 O ATOM 0 H GLU A 53 -11.241 -1.936 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.918 0.075 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.399 -2.054 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.673 -2.933 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.476 -2.388 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.003 -1.043 -6.189 1.00 0.00 H new ATOM 761 N ARG A 54 -7.656 0.324 -8.543 1.00 0.00 N ATOM 762 CA ARG A 54 -6.419 0.623 -9.254 1.00 0.00 C ATOM 763 C ARG A 54 -5.318 -0.361 -8.870 1.00 0.00 C ATOM 764 O ARG A 54 -5.013 -0.535 -7.690 1.00 0.00 O ATOM 765 CB ARG A 54 -5.967 2.053 -8.955 1.00 0.00 C ATOM 766 CG ARG A 54 -4.589 2.384 -9.505 1.00 0.00 C ATOM 767 CD ARG A 54 -4.526 2.176 -11.010 1.00 0.00 C ATOM 768 NE ARG A 54 -3.560 3.068 -11.646 1.00 0.00 N ATOM 769 CZ ARG A 54 -3.613 3.417 -12.926 1.00 0.00 C ATOM 770 NH1 ARG A 54 -4.581 2.951 -13.704 1.00 0.00 N ATOM 771 NH2 ARG A 54 -2.698 4.233 -13.432 1.00 0.00 N ATOM 0 H ARG A 54 -7.800 0.875 -7.697 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.612 0.526 -10.322 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.693 2.750 -9.374 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.965 2.206 -7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.341 3.419 -9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.842 1.758 -9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.258 1.141 -11.222 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.513 2.344 -11.441 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.803 3.444 -11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.287 2.323 -13.319 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.620 3.221 -14.687 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.952 4.594 -12.838 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.741 4.500 -14.416 1.00 0.00 H new ATOM 785 N GLU A 55 -4.728 -1.002 -9.873 1.00 0.00 N ATOM 786 CA GLU A 55 -3.662 -1.970 -9.638 1.00 0.00 C ATOM 787 C GLU A 55 -2.368 -1.528 -10.315 1.00 0.00 C ATOM 788 O GLU A 55 -2.340 -1.268 -11.518 1.00 0.00 O ATOM 789 CB GLU A 55 -4.074 -3.351 -10.154 1.00 0.00 C ATOM 790 CG GLU A 55 -2.898 -4.254 -10.482 1.00 0.00 C ATOM 791 CD GLU A 55 -3.330 -5.647 -10.898 1.00 0.00 C ATOM 792 OE1 GLU A 55 -3.717 -5.822 -12.072 1.00 0.00 O ATOM 793 OE2 GLU A 55 -3.279 -6.561 -10.049 1.00 0.00 O ATOM 0 H GLU A 55 -4.969 -0.869 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.489 -2.028 -8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.697 -3.838 -9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.687 -3.228 -11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.312 -3.805 -11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.245 -4.325 -9.612 1.00 0.00 H new ATOM 800 N VAL A 56 -1.296 -1.445 -9.532 1.00 0.00 N ATOM 801 CA VAL A 56 0.002 -1.036 -10.054 1.00 0.00 C ATOM 802 C VAL A 56 1.124 -1.880 -9.460 1.00 0.00 C ATOM 803 O VAL A 56 0.983 -2.441 -8.373 1.00 0.00 O ATOM 804 CB VAL A 56 0.282 0.450 -9.759 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.596 1.340 -10.625 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.069 0.750 -8.283 1.00 0.00 C ATOM 0 H VAL A 56 -1.302 -1.656 -8.534 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.029 -1.186 -11.133 1.00 0.00 H new ATOM 0 HB VAL A 56 1.324 0.661 -10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.385 2.386 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.388 1.143 -11.677 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.645 1.130 -10.417 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.271 1.804 -8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.962 0.524 -8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.745 0.138 -7.686 1.00 0.00 H new ATOM 816 N GLN A 57 2.237 -1.966 -10.181 1.00 0.00 N ATOM 817 CA GLN A 57 3.384 -2.743 -9.725 1.00 0.00 C ATOM 818 C GLN A 57 4.574 -1.835 -9.429 1.00 0.00 C ATOM 819 O GLN A 57 4.866 -0.911 -10.188 1.00 0.00 O ATOM 820 CB GLN A 57 3.771 -3.785 -10.775 1.00 0.00 C ATOM 821 CG GLN A 57 2.895 -5.027 -10.752 1.00 0.00 C ATOM 822 CD GLN A 57 2.826 -5.717 -12.100 1.00 0.00 C ATOM 823 OE1 GLN A 57 2.337 -5.149 -13.077 1.00 0.00 O ATOM 824 NE2 GLN A 57 3.316 -6.950 -12.160 1.00 0.00 N ATOM 0 H GLN A 57 2.369 -1.508 -11.083 1.00 0.00 H new ATOM 0 HA GLN A 57 3.102 -3.253 -8.804 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.716 -3.330 -11.764 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.809 -4.079 -10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.281 -5.726 -10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.889 -4.751 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.712 -7.383 -11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.296 -7.464 -13.041 1.00 0.00 H new ATOM 833 N VAL A 58 5.256 -2.105 -8.321 1.00 0.00 N ATOM 834 CA VAL A 58 6.415 -1.313 -7.925 1.00 0.00 C ATOM 835 C VAL A 58 7.604 -2.207 -7.594 1.00 0.00 C ATOM 836 O VAL A 58 7.478 -3.175 -6.845 1.00 0.00 O ATOM 837 CB VAL A 58 6.098 -0.426 -6.706 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.180 0.720 -7.104 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.479 -1.254 -5.591 1.00 0.00 C ATOM 0 H VAL A 58 5.026 -2.866 -7.682 1.00 0.00 H new ATOM 0 HA VAL A 58 6.668 -0.676 -8.773 1.00 0.00 H new ATOM 0 HB VAL A 58 7.031 -0.001 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.967 1.336 -6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.667 1.328 -7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.248 0.318 -7.501 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.262 -0.611 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.555 -1.710 -5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.176 -2.035 -5.288 1.00 0.00 H new ATOM 849 N GLY A 59 8.762 -1.875 -8.157 1.00 0.00 N ATOM 850 CA GLY A 59 9.959 -2.658 -7.910 1.00 0.00 C ATOM 851 C GLY A 59 10.491 -2.474 -6.502 1.00 0.00 C ATOM 852 O GLY A 59 11.468 -3.113 -6.113 1.00 0.00 O ATOM 0 H GLY A 59 8.893 -1.078 -8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.741 -3.713 -8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.730 -2.374 -8.627 1.00 0.00 H new ATOM 856 N ARG A 60 9.848 -1.597 -5.738 1.00 0.00 N ATOM 857 CA ARG A 60 10.265 -1.328 -4.367 1.00 0.00 C ATOM 858 C ARG A 60 9.102 -1.519 -3.398 1.00 0.00 C ATOM 859 O ARG A 60 7.942 -1.266 -3.725 1.00 0.00 O ATOM 860 CB ARG A 60 10.814 0.095 -4.247 1.00 0.00 C ATOM 861 CG ARG A 60 9.923 1.147 -4.888 1.00 0.00 C ATOM 862 CD ARG A 60 10.705 2.406 -5.229 1.00 0.00 C ATOM 863 NE ARG A 60 11.819 2.624 -4.310 1.00 0.00 N ATOM 864 CZ ARG A 60 12.778 3.520 -4.516 1.00 0.00 C ATOM 865 NH1 ARG A 60 12.758 4.278 -5.604 1.00 0.00 N ATOM 866 NH2 ARG A 60 13.759 3.659 -3.633 1.00 0.00 N ATOM 0 H ARG A 60 9.036 -1.061 -6.045 1.00 0.00 H new ATOM 0 HA ARG A 60 11.052 -2.036 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.946 0.337 -3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.800 0.135 -4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.472 0.741 -5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.107 1.397 -4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.085 2.332 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.037 3.267 -5.200 1.00 0.00 H new ATOM 0 HE ARG A 60 11.863 2.057 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.005 4.174 -6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.495 4.965 -5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.777 3.078 -2.795 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.495 4.347 -3.792 1.00 0.00 H new ATOM 880 N PRO A 61 9.417 -1.977 -2.178 1.00 0.00 N ATOM 881 CA PRO A 61 8.412 -2.213 -1.137 1.00 0.00 C ATOM 882 C PRO A 61 7.816 -0.915 -0.603 1.00 0.00 C ATOM 883 O PRO A 61 6.996 -0.930 0.315 1.00 0.00 O ATOM 884 CB PRO A 61 9.201 -2.931 -0.039 1.00 0.00 C ATOM 885 CG PRO A 61 10.611 -2.495 -0.238 1.00 0.00 C ATOM 886 CD PRO A 61 10.779 -2.301 -1.720 1.00 0.00 C ATOM 0 HA PRO A 61 7.562 -2.783 -1.512 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.838 -2.658 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.105 -4.013 -0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.813 -1.570 0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.308 -3.243 0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.480 -1.497 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.162 -3.200 -2.202 1.00 0.00 H new ATOM 894 N GLU A 62 8.233 0.206 -1.183 1.00 0.00 N ATOM 895 CA GLU A 62 7.739 1.512 -0.764 1.00 0.00 C ATOM 896 C GLU A 62 7.043 2.227 -1.919 1.00 0.00 C ATOM 897 O GLU A 62 7.645 2.473 -2.964 1.00 0.00 O ATOM 898 CB GLU A 62 8.890 2.372 -0.237 1.00 0.00 C ATOM 899 CG GLU A 62 9.986 2.615 -1.260 1.00 0.00 C ATOM 900 CD GLU A 62 11.247 3.185 -0.640 1.00 0.00 C ATOM 901 OE1 GLU A 62 11.992 2.417 0.005 1.00 0.00 O ATOM 902 OE2 GLU A 62 11.489 4.400 -0.799 1.00 0.00 O ATOM 0 H GLU A 62 8.911 0.236 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 62 7.014 1.358 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.493 3.332 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.323 1.888 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.224 1.677 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.619 3.301 -2.024 1.00 0.00 H new ATOM 909 N VAL A 63 5.771 2.557 -1.722 1.00 0.00 N ATOM 910 CA VAL A 63 4.992 3.243 -2.746 1.00 0.00 C ATOM 911 C VAL A 63 4.469 4.581 -2.234 1.00 0.00 C ATOM 912 O VAL A 63 3.995 4.682 -1.101 1.00 0.00 O ATOM 913 CB VAL A 63 3.803 2.385 -3.216 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.888 2.053 -2.047 1.00 0.00 C ATOM 915 CG2 VAL A 63 3.034 3.099 -4.318 1.00 0.00 C ATOM 0 H VAL A 63 5.258 2.360 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 63 5.661 3.416 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 63 4.190 1.450 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.054 1.446 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.447 1.499 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.507 2.976 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.197 2.479 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.657 4.050 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.696 3.281 -5.165 1.00 0.00 H new ATOM 925 N LEU A 64 4.558 5.605 -3.074 1.00 0.00 N ATOM 926 CA LEU A 64 4.092 6.939 -2.707 1.00 0.00 C ATOM 927 C LEU A 64 3.063 7.451 -3.709 1.00 0.00 C ATOM 928 O LEU A 64 3.379 7.681 -4.877 1.00 0.00 O ATOM 929 CB LEU A 64 5.273 7.909 -2.630 1.00 0.00 C ATOM 930 CG LEU A 64 4.917 9.388 -2.482 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.305 9.656 -1.116 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.147 10.257 -2.697 1.00 0.00 C ATOM 0 H LEU A 64 4.948 5.539 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 64 3.617 6.875 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.900 7.621 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.875 7.789 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 64 4.180 9.642 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.058 10.714 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.399 9.061 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.019 9.385 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.874 11.307 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.907 10.001 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.542 10.087 -3.699 1.00 0.00 H new ATOM 944 N LEU A 65 1.831 7.630 -3.245 1.00 0.00 N ATOM 945 CA LEU A 65 0.755 8.118 -4.100 1.00 0.00 C ATOM 946 C LEU A 65 0.610 9.632 -3.983 1.00 0.00 C ATOM 947 O LEU A 65 0.196 10.148 -2.944 1.00 0.00 O ATOM 948 CB LEU A 65 -0.565 7.438 -3.730 1.00 0.00 C ATOM 949 CG LEU A 65 -0.571 5.910 -3.783 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.829 5.358 -3.132 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.455 5.425 -5.220 1.00 0.00 C ATOM 0 H LEU A 65 1.553 7.444 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 65 1.006 7.874 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.840 7.748 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.341 7.808 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 65 0.292 5.544 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.815 4.269 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.869 5.675 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.706 5.733 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.461 4.335 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.297 5.802 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.476 5.790 -5.653 1.00 0.00 H new ATOM 963 N ASP A 66 0.952 10.338 -5.054 1.00 0.00 N ATOM 964 CA ASP A 66 0.858 11.793 -5.073 1.00 0.00 C ATOM 965 C ASP A 66 -0.419 12.246 -5.775 1.00 0.00 C ATOM 966 O ASP A 66 -0.769 11.736 -6.839 1.00 0.00 O ATOM 967 CB ASP A 66 2.078 12.396 -5.771 1.00 0.00 C ATOM 968 CG ASP A 66 2.306 11.808 -7.150 1.00 0.00 C ATOM 969 OD1 ASP A 66 1.443 12.009 -8.030 1.00 0.00 O ATOM 970 OD2 ASP A 66 3.347 11.147 -7.349 1.00 0.00 O ATOM 0 H ASP A 66 1.297 9.926 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 66 0.829 12.143 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.948 13.475 -5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.963 12.229 -5.157 1.00 0.00 H new ATOM 975 N GLY A 67 -1.112 13.206 -5.170 1.00 0.00 N ATOM 976 CA GLY A 67 -2.343 13.710 -5.750 1.00 0.00 C ATOM 977 C GLY A 67 -3.577 13.116 -5.099 1.00 0.00 C ATOM 978 O GLY A 67 -4.405 12.498 -5.770 1.00 0.00 O ATOM 0 H GLY A 67 -0.843 13.643 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.370 14.795 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.356 13.487 -6.817 1.00 0.00 H new ATOM 982 N LEU A 68 -3.699 13.300 -3.790 1.00 0.00 N ATOM 983 CA LEU A 68 -4.840 12.776 -3.047 1.00 0.00 C ATOM 984 C LEU A 68 -5.600 13.901 -2.351 1.00 0.00 C ATOM 985 O LEU A 68 -5.130 15.037 -2.294 1.00 0.00 O ATOM 986 CB LEU A 68 -4.374 11.747 -2.016 1.00 0.00 C ATOM 987 CG LEU A 68 -3.597 10.550 -2.567 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.791 9.883 -1.464 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.545 9.552 -3.216 1.00 0.00 C ATOM 0 H LEU A 68 -3.022 13.808 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.512 12.292 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.748 12.255 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.249 11.373 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.904 10.910 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.245 9.034 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.085 10.600 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.464 9.536 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.975 8.707 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.263 9.198 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.077 10.036 -4.035 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.775 13.575 -1.821 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.598 14.559 -1.127 1.00 0.00 C ATOM 1003 C GLU A 69 -7.526 14.360 0.385 1.00 0.00 C ATOM 1004 O GLU A 69 -7.456 13.237 0.886 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.051 14.463 -1.596 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.255 14.896 -3.038 1.00 0.00 C ATOM 1007 CD GLU A 69 -9.291 16.404 -3.195 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -9.649 17.094 -2.217 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -8.962 16.893 -4.295 1.00 0.00 O ATOM 0 H GLU A 69 -7.178 12.639 -1.859 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.212 15.550 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.393 13.434 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.674 15.080 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.452 14.490 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.187 14.473 -3.412 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.542 15.475 1.129 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.479 15.450 2.594 1.00 0.00 C ATOM 1018 C PRO A 70 -8.754 14.897 3.219 1.00 0.00 C ATOM 1019 O PRO A 70 -9.850 15.096 2.698 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.296 16.924 2.966 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.884 17.679 1.824 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.623 16.847 0.599 1.00 0.00 C ATOM 0 HA PRO A 70 -6.681 14.802 2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.803 17.162 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.243 17.170 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.953 17.836 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.427 18.664 1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.424 16.948 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.698 17.141 0.103 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.604 14.200 4.342 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.752 13.629 5.020 1.00 0.00 C ATOM 1032 C GLY A 71 -10.397 12.510 4.227 1.00 0.00 C ATOM 1033 O GLY A 71 -11.617 12.479 4.063 1.00 0.00 O ATOM 0 H GLY A 71 -7.707 14.021 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.443 13.249 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.488 14.412 5.203 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.577 11.590 3.731 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.074 10.465 2.948 1.00 0.00 C ATOM 1039 C ARG A 72 -9.350 9.176 3.326 1.00 0.00 C ATOM 1040 O ARG A 72 -8.121 9.138 3.386 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.900 10.741 1.453 1.00 0.00 C ATOM 1042 CG ARG A 72 -10.883 9.984 0.576 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.165 10.774 0.366 1.00 0.00 C ATOM 1044 NE ARG A 72 -13.041 10.716 1.534 1.00 0.00 N ATOM 1045 CZ ARG A 72 -13.646 9.607 1.945 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -13.471 8.470 1.287 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -14.427 9.635 3.017 1.00 0.00 N ATOM 0 H ARG A 72 -8.565 11.601 3.857 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.135 10.343 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.015 11.810 1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.885 10.476 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.423 9.772 -0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.117 9.024 1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.919 11.813 0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.694 10.383 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.197 11.574 2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.871 8.445 0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.937 7.620 1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.563 10.508 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.891 8.783 3.332 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.120 8.124 3.581 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.553 6.834 3.953 1.00 0.00 C ATOM 1063 C ASP A 73 -9.281 5.982 2.717 1.00 0.00 C ATOM 1064 O ASP A 73 -10.158 5.799 1.873 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.496 6.092 4.901 1.00 0.00 C ATOM 1066 CG ASP A 73 -10.080 4.651 5.122 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -9.007 4.259 4.617 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -10.828 3.914 5.798 1.00 0.00 O ATOM 0 H ASP A 73 -11.139 8.140 3.537 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.607 7.015 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.524 6.610 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.507 6.117 4.496 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.061 5.467 2.616 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.673 4.638 1.481 1.00 0.00 C ATOM 1075 C TYR A 74 -7.305 3.229 1.936 1.00 0.00 C ATOM 1076 O TYR A 74 -6.996 3.004 3.106 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.493 5.271 0.741 1.00 0.00 C ATOM 1078 CG TYR A 74 -6.840 6.568 0.046 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.468 6.569 -1.193 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.541 7.793 0.630 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -7.786 7.752 -1.832 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -6.856 8.981 -0.001 1.00 0.00 C ATOM 1083 CZ TYR A 74 -7.478 8.955 -1.232 1.00 0.00 C ATOM 1084 OH TYR A 74 -7.795 10.136 -1.865 1.00 0.00 O ATOM 0 H TYR A 74 -7.324 5.609 3.306 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.525 4.571 0.804 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.686 5.453 1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.115 4.563 0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.712 5.629 -1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.054 7.817 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.273 7.735 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.617 9.925 0.467 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.972 10.829 -1.195 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.341 2.284 1.002 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.013 0.897 1.306 1.00 0.00 C ATOM 1096 C GLU A 75 -6.006 0.343 0.301 1.00 0.00 C ATOM 1097 O GLU A 75 -6.363 -0.011 -0.822 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.278 0.037 1.303 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.255 0.388 2.412 1.00 0.00 C ATOM 1100 CD GLU A 75 -10.180 -0.762 2.760 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -9.799 -1.594 3.610 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -11.286 -0.830 2.183 1.00 0.00 O ATOM 0 H GLU A 75 -7.594 2.454 0.029 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.564 0.867 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.779 0.146 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.995 -1.011 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.698 0.684 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.850 1.249 2.108 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.744 0.272 0.715 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.685 -0.238 -0.148 1.00 0.00 C ATOM 1111 C VAL A 76 -3.341 -1.682 0.200 1.00 0.00 C ATOM 1112 O VAL A 76 -2.863 -1.970 1.297 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.411 0.622 -0.041 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.519 0.408 -1.254 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -2.772 2.091 0.114 1.00 0.00 C ATOM 0 H VAL A 76 -4.431 0.561 1.642 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.060 -0.193 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.858 0.312 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.624 1.023 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.233 -0.642 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.060 0.689 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.860 2.684 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.348 2.418 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.367 2.226 1.017 1.00 0.00 H new ATOM 1125 N SER A 77 -3.588 -2.586 -0.742 1.00 0.00 N ATOM 1126 CA SER A 77 -3.307 -4.002 -0.534 1.00 0.00 C ATOM 1127 C SER A 77 -2.098 -4.442 -1.354 1.00 0.00 C ATOM 1128 O SER A 77 -2.082 -4.312 -2.578 1.00 0.00 O ATOM 1129 CB SER A 77 -4.527 -4.846 -0.911 1.00 0.00 C ATOM 1130 OG SER A 77 -5.190 -4.308 -2.042 1.00 0.00 O ATOM 0 H SER A 77 -3.982 -2.364 -1.656 1.00 0.00 H new ATOM 0 HA SER A 77 -3.082 -4.151 0.522 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.214 -5.869 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.217 -4.890 -0.068 1.00 0.00 H new ATOM 0 HG SER A 77 -5.964 -4.866 -2.263 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.085 -4.965 -0.669 1.00 0.00 N ATOM 1137 CA VAL A 78 0.129 -5.426 -1.331 1.00 0.00 C ATOM 1138 C VAL A 78 0.132 -6.943 -1.478 1.00 0.00 C ATOM 1139 O VAL A 78 -0.301 -7.664 -0.580 1.00 0.00 O ATOM 1140 CB VAL A 78 1.389 -4.993 -0.558 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.643 -5.339 -1.345 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.338 -3.505 -0.247 1.00 0.00 C ATOM 0 H VAL A 78 -1.082 -5.080 0.345 1.00 0.00 H new ATOM 0 HA VAL A 78 0.144 -4.968 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 78 1.420 -5.537 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.523 -5.026 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.683 -6.416 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.623 -4.824 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.236 -3.217 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.282 -2.940 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.459 -3.290 0.361 1.00 0.00 H new ATOM 1152 N GLN A 79 0.625 -7.421 -2.617 1.00 0.00 N ATOM 1153 CA GLN A 79 0.684 -8.853 -2.882 1.00 0.00 C ATOM 1154 C GLN A 79 1.990 -9.225 -3.577 1.00 0.00 C ATOM 1155 O GLN A 79 2.262 -8.774 -4.690 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.505 -9.285 -3.741 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.511 -10.769 -4.071 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.812 -11.220 -4.705 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -1.984 -12.530 -4.835 1.00 0.00 O flip ATOM 1160 NE2 GLN A 79 -2.654 -10.400 -5.074 1.00 0.00 N flip ATOM 0 H GLN A 79 0.989 -6.837 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 79 0.640 -9.375 -1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.429 -9.034 -3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.497 -8.715 -4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.314 -10.990 -4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.338 -11.341 -3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.480 -9.402 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.525 -10.719 -5.499 1.00 0.00 H new ATOM 1169 N SER A 80 2.795 -10.049 -2.914 1.00 0.00 N ATOM 1170 CA SER A 80 4.074 -10.477 -3.466 1.00 0.00 C ATOM 1171 C SER A 80 3.869 -11.327 -4.717 1.00 0.00 C ATOM 1172 O SER A 80 3.256 -12.394 -4.663 1.00 0.00 O ATOM 1173 CB SER A 80 4.865 -11.269 -2.423 1.00 0.00 C ATOM 1174 OG SER A 80 5.100 -10.491 -1.262 1.00 0.00 O ATOM 0 H SER A 80 2.583 -10.434 -1.993 1.00 0.00 H new ATOM 0 HA SER A 80 4.639 -9.586 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.316 -12.172 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.816 -11.589 -2.849 1.00 0.00 H new ATOM 0 HG SER A 80 5.606 -11.020 -0.610 1.00 0.00 H new ATOM 1180 N LEU A 81 4.385 -10.845 -5.842 1.00 0.00 N ATOM 1181 CA LEU A 81 4.259 -11.559 -7.108 1.00 0.00 C ATOM 1182 C LEU A 81 5.583 -12.205 -7.503 1.00 0.00 C ATOM 1183 O LEU A 81 6.585 -11.519 -7.702 1.00 0.00 O ATOM 1184 CB LEU A 81 3.796 -10.605 -8.210 1.00 0.00 C ATOM 1185 CG LEU A 81 2.381 -10.044 -8.062 1.00 0.00 C ATOM 1186 CD1 LEU A 81 1.923 -9.400 -9.361 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.414 -11.140 -7.637 1.00 0.00 C ATOM 0 H LEU A 81 4.894 -9.963 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 81 3.516 -12.346 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.494 -9.769 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.860 -11.127 -9.165 1.00 0.00 H new ATOM 0 HG LEU A 81 2.394 -9.278 -7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.914 -9.007 -9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.600 -8.587 -9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.926 -10.145 -10.157 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.412 -10.722 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.405 -11.929 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.732 -11.555 -6.680 1.00 0.00 H new ATOM 1199 N ARG A 82 5.578 -13.529 -7.617 1.00 0.00 N ATOM 1200 CA ARG A 82 6.779 -14.268 -7.989 1.00 0.00 C ATOM 1201 C ARG A 82 6.464 -15.317 -9.052 1.00 0.00 C ATOM 1202 O ARG A 82 7.045 -16.401 -9.060 1.00 0.00 O ATOM 1203 CB ARG A 82 7.391 -14.942 -6.759 1.00 0.00 C ATOM 1204 CG ARG A 82 8.825 -15.401 -6.966 1.00 0.00 C ATOM 1205 CD ARG A 82 9.446 -15.891 -5.668 1.00 0.00 C ATOM 1206 NE ARG A 82 8.962 -17.217 -5.295 1.00 0.00 N ATOM 1207 CZ ARG A 82 9.352 -18.337 -5.894 1.00 0.00 C ATOM 1208 NH1 ARG A 82 10.229 -18.291 -6.887 1.00 0.00 N ATOM 1209 NH2 ARG A 82 8.866 -19.506 -5.498 1.00 0.00 N ATOM 0 H ARG A 82 4.756 -14.112 -7.457 1.00 0.00 H new ATOM 0 HA ARG A 82 7.497 -13.560 -8.402 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.359 -14.247 -5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.779 -15.801 -6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.849 -16.200 -7.707 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.417 -14.578 -7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.531 -15.917 -5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.220 -15.185 -4.869 1.00 0.00 H new ATOM 0 HE ARG A 82 8.288 -17.287 -4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.606 -17.394 -7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.527 -19.152 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.192 -19.546 -4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.166 -20.365 -5.958 1.00 0.00 H new ATOM 1223 N GLY A 83 5.539 -14.985 -9.948 1.00 0.00 N ATOM 1224 CA GLY A 83 5.163 -15.908 -11.002 1.00 0.00 C ATOM 1225 C GLY A 83 3.684 -15.845 -11.327 1.00 0.00 C ATOM 1226 O GLY A 83 3.033 -14.813 -11.161 1.00 0.00 O ATOM 0 H GLY A 83 5.044 -14.093 -9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.739 -15.684 -11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.423 -16.923 -10.702 1.00 0.00 H new ATOM 1230 N PRO A 84 3.130 -16.970 -11.804 1.00 0.00 N ATOM 1231 CA PRO A 84 1.712 -17.063 -12.164 1.00 0.00 C ATOM 1232 C PRO A 84 0.800 -17.015 -10.944 1.00 0.00 C ATOM 1233 O PRO A 84 -0.421 -16.929 -11.074 1.00 0.00 O ATOM 1234 CB PRO A 84 1.611 -18.426 -12.855 1.00 0.00 C ATOM 1235 CG PRO A 84 2.739 -19.220 -12.292 1.00 0.00 C ATOM 1236 CD PRO A 84 3.846 -18.238 -12.027 1.00 0.00 C ATOM 0 HA PRO A 84 1.394 -16.228 -12.789 1.00 0.00 H new ATOM 0 HB2 PRO A 84 0.652 -18.902 -12.653 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.697 -18.329 -13.937 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.439 -19.727 -11.375 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.061 -19.991 -12.992 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.437 -18.524 -11.157 1.00 0.00 H new ATOM 0 HD3 PRO A 84 4.533 -18.169 -12.871 1.00 0.00 H new ATOM 1244 N GLU A 85 1.400 -17.071 -9.759 1.00 0.00 N ATOM 1245 CA GLU A 85 0.639 -17.034 -8.516 1.00 0.00 C ATOM 1246 C GLU A 85 1.172 -15.950 -7.584 1.00 0.00 C ATOM 1247 O GLU A 85 2.357 -15.618 -7.614 1.00 0.00 O ATOM 1248 CB GLU A 85 0.694 -18.395 -7.817 1.00 0.00 C ATOM 1249 CG GLU A 85 2.100 -18.954 -7.684 1.00 0.00 C ATOM 1250 CD GLU A 85 2.207 -20.011 -6.603 1.00 0.00 C ATOM 1251 OE1 GLU A 85 1.195 -20.695 -6.340 1.00 0.00 O ATOM 1252 OE2 GLU A 85 3.302 -20.156 -6.020 1.00 0.00 O ATOM 0 H GLU A 85 2.410 -17.142 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.397 -16.801 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.253 -18.302 -6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.081 -19.105 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.408 -19.382 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.791 -18.141 -7.462 1.00 0.00 H new ATOM 1259 N GLY A 86 0.288 -15.401 -6.756 1.00 0.00 N ATOM 1260 CA GLY A 86 0.688 -14.360 -5.827 1.00 0.00 C ATOM 1261 C GLY A 86 0.393 -14.725 -4.386 1.00 0.00 C ATOM 1262 O GLY A 86 -0.447 -15.583 -4.115 1.00 0.00 O ATOM 0 H GLY A 86 -0.698 -15.659 -6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 86 1.755 -14.168 -5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.169 -13.435 -6.078 1.00 0.00 H new ATOM 1266 N SER A 87 1.087 -14.073 -3.458 1.00 0.00 N ATOM 1267 CA SER A 87 0.900 -14.337 -2.037 1.00 0.00 C ATOM 1268 C SER A 87 -0.440 -13.789 -1.554 1.00 0.00 C ATOM 1269 O SER A 87 -1.232 -13.276 -2.343 1.00 0.00 O ATOM 1270 CB SER A 87 2.039 -13.716 -1.226 1.00 0.00 C ATOM 1271 OG SER A 87 2.010 -12.302 -1.307 1.00 0.00 O ATOM 0 H SER A 87 1.784 -13.358 -3.666 1.00 0.00 H new ATOM 0 HA SER A 87 0.906 -15.417 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.959 -14.025 -0.184 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.996 -14.085 -1.595 1.00 0.00 H new ATOM 0 HG SER A 87 2.640 -11.924 -0.658 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.685 -13.904 -0.253 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.929 -13.421 0.335 1.00 0.00 C ATOM 1279 C GLU A 88 -2.032 -11.903 0.220 1.00 0.00 C ATOM 1280 O GLU A 88 -1.024 -11.211 0.074 1.00 0.00 O ATOM 1281 CB GLU A 88 -2.022 -13.840 1.804 1.00 0.00 C ATOM 1282 CG GLU A 88 -2.588 -15.236 2.004 1.00 0.00 C ATOM 1283 CD GLU A 88 -2.488 -15.705 3.443 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -2.832 -14.916 4.348 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -2.066 -16.859 3.663 1.00 0.00 O ATOM 0 H GLU A 88 -0.039 -14.327 0.414 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.758 -13.867 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.029 -13.792 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.646 -13.124 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.633 -15.248 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.056 -15.936 1.360 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.257 -11.391 0.288 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.492 -9.956 0.194 1.00 0.00 C ATOM 1294 C ALA A 89 -3.366 -9.288 1.559 1.00 0.00 C ATOM 1295 O ALA A 89 -4.225 -9.457 2.424 1.00 0.00 O ATOM 1296 CB ALA A 89 -4.864 -9.684 -0.405 1.00 0.00 C ATOM 0 H ALA A 89 -4.102 -11.950 0.408 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.731 -9.530 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.026 -8.608 -0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.918 -10.119 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.632 -10.129 0.227 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.290 -8.530 1.744 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.051 -7.839 3.005 1.00 0.00 C ATOM 1304 C ARG A 90 -2.169 -6.328 2.827 1.00 0.00 C ATOM 1305 O ARG A 90 -1.305 -5.695 2.222 1.00 0.00 O ATOM 1306 CB ARG A 90 -0.667 -8.192 3.552 1.00 0.00 C ATOM 1307 CG ARG A 90 -0.599 -9.568 4.195 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.337 -9.597 5.525 1.00 0.00 C ATOM 1309 NE ARG A 90 -0.478 -9.201 6.637 1.00 0.00 N ATOM 1310 CZ ARG A 90 -0.866 -9.215 7.907 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.094 -9.602 8.224 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -0.026 -8.840 8.863 1.00 0.00 N ATOM 0 H ARG A 90 -1.570 -8.379 1.037 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.809 -8.165 3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.059 -8.143 2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.374 -7.442 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.031 -10.308 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.443 -9.848 4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.198 -8.930 5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.722 -10.601 5.704 1.00 0.00 H new ATOM 0 HE ARG A 90 0.473 -8.897 6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.743 -9.890 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.390 -9.612 9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.919 -8.540 8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.325 -8.851 9.838 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.245 -5.756 3.359 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.456 -4.324 3.248 1.00 0.00 C ATOM 1328 C GLY A 91 -3.454 -3.631 4.596 1.00 0.00 C ATOM 1329 O GLY A 91 -3.730 -4.254 5.622 1.00 0.00 O ATOM 0 H GLY A 91 -3.974 -6.259 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.676 -3.893 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.407 -4.138 2.749 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.140 -2.340 4.595 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.103 -1.563 5.828 1.00 0.00 C ATOM 1335 C ILE A 92 -4.090 -0.402 5.775 1.00 0.00 C ATOM 1336 O ILE A 92 -4.352 0.156 4.710 1.00 0.00 O ATOM 1337 CB ILE A 92 -1.692 -1.010 6.102 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -1.755 0.127 7.124 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.049 -0.532 4.808 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.418 0.447 7.755 1.00 0.00 C ATOM 0 H ILE A 92 -2.908 -1.810 3.755 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.383 -2.239 6.636 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.079 -1.811 6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.141 1.022 6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.463 -0.139 7.908 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.052 -0.144 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.974 -1.365 4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.660 0.256 4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.538 1.262 8.469 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.039 -0.435 8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.288 0.745 6.980 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.633 -0.042 6.934 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.591 1.054 7.021 1.00 0.00 C ATOM 1354 C ARG A 93 -4.876 2.402 7.033 1.00 0.00 C ATOM 1355 O ARG A 93 -4.240 2.770 8.020 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.451 0.909 8.278 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.789 1.623 8.185 1.00 0.00 C ATOM 1358 CD ARG A 93 -7.612 3.103 7.881 1.00 0.00 C ATOM 1359 NE ARG A 93 -8.690 3.911 8.446 1.00 0.00 N ATOM 1360 CZ ARG A 93 -8.889 4.062 9.750 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -8.087 3.463 10.621 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -9.892 4.813 10.187 1.00 0.00 N ATOM 0 H ARG A 93 -4.426 -0.493 7.825 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.234 1.012 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.626 -0.150 8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.899 1.299 9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.396 1.161 7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.331 1.506 9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.657 3.443 8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.577 3.250 6.801 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.325 4.385 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.315 2.885 10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.242 3.581 11.622 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.511 5.275 9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.044 4.928 11.189 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.984 3.133 5.929 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.350 4.440 5.813 1.00 0.00 C ATOM 1378 C ALA A 94 -5.367 5.562 5.990 1.00 0.00 C ATOM 1379 O ALA A 94 -6.570 5.353 5.830 1.00 0.00 O ATOM 1380 CB ALA A 94 -3.648 4.569 4.469 1.00 0.00 C ATOM 0 H ALA A 94 -5.505 2.842 5.102 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.609 4.528 6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.179 5.550 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.886 3.795 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.376 4.454 3.666 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.877 6.752 6.322 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.744 7.907 6.522 1.00 0.00 C ATOM 1388 C ARG A 95 -5.029 9.198 6.137 1.00 0.00 C ATOM 1389 O ARG A 95 -3.831 9.196 5.852 1.00 0.00 O ATOM 1390 CB ARG A 95 -6.202 7.980 7.980 1.00 0.00 C ATOM 1391 CG ARG A 95 -5.274 8.792 8.870 1.00 0.00 C ATOM 1392 CD ARG A 95 -3.880 8.187 8.921 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.862 6.915 9.638 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.928 6.816 10.961 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.015 7.909 11.707 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -3.906 5.623 11.541 1.00 0.00 N ATOM 0 H ARG A 95 -3.884 6.941 6.458 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.616 7.791 5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.200 8.416 8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.281 6.968 8.378 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -5.214 9.815 8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.687 8.843 9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.513 8.036 7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.199 8.886 9.406 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.795 6.055 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.031 8.828 11.265 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.066 7.831 12.723 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.838 4.780 10.971 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.957 5.549 12.557 1.00 0.00 H new ATOM 1410 N THR A 96 -5.771 10.301 6.130 1.00 0.00 N ATOM 1411 CA THR A 96 -5.209 11.599 5.778 1.00 0.00 C ATOM 1412 C THR A 96 -5.981 12.731 6.446 1.00 0.00 C ATOM 1413 O THR A 96 -7.197 12.857 6.299 1.00 0.00 O ATOM 1414 CB THR A 96 -5.214 11.818 4.254 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.560 11.840 3.766 1.00 0.00 O ATOM 1416 CG2 THR A 96 -4.430 10.723 3.547 1.00 0.00 C ATOM 0 H THR A 96 -6.764 10.321 6.364 1.00 0.00 H new ATOM 0 HA THR A 96 -4.179 11.606 6.135 1.00 0.00 H new ATOM 0 HB THR A 96 -4.737 12.776 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.868 10.922 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.448 10.899 2.471 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.398 10.729 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.881 9.755 3.763 1.00 0.00 H new ATOM 1424 N PRO A 97 -5.260 13.577 7.197 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.857 14.716 7.901 1.00 0.00 C ATOM 1426 C PRO A 97 -6.324 15.808 6.945 1.00 0.00 C ATOM 1427 O PRO A 97 -6.340 15.619 5.729 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.714 15.228 8.781 1.00 0.00 C ATOM 1429 CG PRO A 97 -3.473 14.795 8.079 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.807 13.487 7.416 1.00 0.00 C ATOM 0 HA PRO A 97 -6.747 14.428 8.460 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.751 16.312 8.887 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.768 14.807 9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.162 15.537 7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.648 14.677 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.266 13.362 6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.548 12.638 8.049 1.00 0.00 H new ATOM 1438 N THR A 98 -6.705 16.954 7.503 1.00 0.00 N ATOM 1439 CA THR A 98 -7.173 18.076 6.701 1.00 0.00 C ATOM 1440 C THR A 98 -6.349 19.329 6.973 1.00 0.00 C ATOM 1441 O THR A 98 -6.403 19.893 8.066 1.00 0.00 O ATOM 1442 CB THR A 98 -8.658 18.382 6.975 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.823 18.839 8.322 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.517 17.148 6.743 1.00 0.00 C ATOM 0 H THR A 98 -6.698 17.128 8.508 1.00 0.00 H new ATOM 0 HA THR A 98 -7.056 17.788 5.656 1.00 0.00 H new ATOM 0 HB THR A 98 -8.979 19.163 6.285 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.043 19.371 8.585 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.561 17.389 6.943 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.412 16.820 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.195 16.349 7.411 1.00 0.00 H new ATOM 1452 N SER A 99 -5.586 19.760 5.973 1.00 0.00 N ATOM 1453 CA SER A 99 -4.748 20.945 6.107 1.00 0.00 C ATOM 1454 C SER A 99 -5.600 22.192 6.321 1.00 0.00 C ATOM 1455 O SER A 99 -6.254 22.676 5.398 1.00 0.00 O ATOM 1456 CB SER A 99 -3.872 21.119 4.865 1.00 0.00 C ATOM 1457 OG SER A 99 -3.255 22.395 4.850 1.00 0.00 O ATOM 0 H SER A 99 -5.531 19.306 5.061 1.00 0.00 H new ATOM 0 HA SER A 99 -4.108 20.810 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.108 20.342 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.479 20.994 3.968 1.00 0.00 H new ATOM 0 HG SER A 99 -2.700 22.480 4.047 1.00 0.00 H new ATOM 1463 N GLY A 100 -5.587 22.708 7.546 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.363 23.894 7.860 1.00 0.00 C ATOM 1465 C GLY A 100 -5.492 25.118 8.063 1.00 0.00 C ATOM 1466 O GLY A 100 -5.176 25.502 9.189 1.00 0.00 O ATOM 0 H GLY A 100 -5.053 22.326 8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.071 24.085 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.948 23.714 8.762 1.00 0.00 H new ATOM 1470 N PRO A 101 -5.090 25.753 6.952 1.00 0.00 N ATOM 1471 CA PRO A 101 -4.244 26.950 6.987 1.00 0.00 C ATOM 1472 C PRO A 101 -4.984 28.167 7.532 1.00 0.00 C ATOM 1473 O PRO A 101 -4.452 28.912 8.355 1.00 0.00 O ATOM 1474 CB PRO A 101 -3.872 27.164 5.518 1.00 0.00 C ATOM 1475 CG PRO A 101 -4.976 26.523 4.750 1.00 0.00 C ATOM 1476 CD PRO A 101 -5.429 25.352 5.576 1.00 0.00 C ATOM 0 HA PRO A 101 -3.384 26.823 7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.789 28.225 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -2.910 26.709 5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.794 27.224 4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.631 26.198 3.768 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.498 25.170 5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.917 24.434 5.287 1.00 0.00 H new ATOM 1484 N SER A 102 -6.214 28.362 7.068 1.00 0.00 N ATOM 1485 CA SER A 102 -7.026 29.491 7.507 1.00 0.00 C ATOM 1486 C SER A 102 -7.111 29.541 9.029 1.00 0.00 C ATOM 1487 O SER A 102 -6.953 28.523 9.704 1.00 0.00 O ATOM 1488 CB SER A 102 -8.432 29.398 6.910 1.00 0.00 C ATOM 1489 OG SER A 102 -8.426 29.741 5.535 1.00 0.00 O ATOM 0 H SER A 102 -6.670 27.753 6.388 1.00 0.00 H new ATOM 0 HA SER A 102 -6.549 30.407 7.157 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.817 28.386 7.034 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.105 30.063 7.451 1.00 0.00 H new ATOM 0 HG SER A 102 -9.336 29.672 5.177 1.00 0.00 H new ATOM 1495 N SER A 103 -7.360 30.732 9.564 1.00 0.00 N ATOM 1496 CA SER A 103 -7.461 30.916 11.007 1.00 0.00 C ATOM 1497 C SER A 103 -8.920 31.030 11.439 1.00 0.00 C ATOM 1498 O SER A 103 -9.362 30.343 12.359 1.00 0.00 O ATOM 1499 CB SER A 103 -6.691 32.166 11.438 1.00 0.00 C ATOM 1500 OG SER A 103 -6.408 32.138 12.826 1.00 0.00 O ATOM 0 H SER A 103 -7.496 31.584 9.020 1.00 0.00 H new ATOM 0 HA SER A 103 -7.023 30.043 11.491 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.760 32.235 10.875 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.274 33.056 11.201 1.00 0.00 H new ATOM 0 HG SER A 103 -5.914 32.947 13.076 1.00 0.00 H new ATOM 1506 N GLY A 104 -9.664 31.902 10.766 1.00 0.00 N ATOM 1507 CA GLY A 104 -11.065 32.091 11.094 1.00 0.00 C ATOM 1508 C GLY A 104 -11.346 33.463 11.673 1.00 0.00 C ATOM 1509 O GLY A 104 -12.248 33.625 12.494 1.00 0.00 O ATOM 0 H GLY A 104 -9.322 32.481 9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.667 31.949 10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.373 31.328 11.809 1.00 0.00 H new TER 1513 GLY A 104