USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 Single : A 3 MET CE :methyl 180:sc= -0.86 (180deg=-0.86) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.14) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0827 F(o=-1.1,f=-0.083) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 148:sc= -0.425 (180deg=-3.74!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -172:sc= 1.26 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -167:sc= -1.32 (180deg=-2.19!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -3.81! C(o=-3.8!,f=-13!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -31:sc= 0.748 USER MOD Single : A 81 MET CE :methyl -178:sc= -4.12! (180deg=-4.33!) USER MOD Single : A 82 MET CE :methyl -168:sc= -9.98! (180deg=-11.3!) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.44 F(o=-3.3!,f=-1.4) USER MOD Single : A 86 MET CE :methyl -136:sc= -3.89! (180deg=-7.59!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.631 -6.272 -10.657 1.00 0.00 N ATOM 25 CA MET A 3 64.656 -5.256 -9.567 1.00 0.00 C ATOM 26 C MET A 3 63.373 -4.421 -9.591 1.00 0.00 C ATOM 27 O MET A 3 62.790 -4.130 -8.565 1.00 0.00 O ATOM 28 CB MET A 3 65.872 -4.381 -9.870 1.00 0.00 C ATOM 29 CG MET A 3 67.015 -4.748 -8.922 1.00 0.00 C ATOM 30 SD MET A 3 67.589 -3.260 -8.066 1.00 0.00 S ATOM 31 CE MET A 3 68.528 -2.554 -9.442 1.00 0.00 C ATOM 0 HA MET A 3 64.718 -5.712 -8.579 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.185 -4.521 -10.905 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.614 -3.328 -9.754 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.678 -5.490 -8.198 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.835 -5.198 -9.481 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.978 -1.611 -9.130 1.00 0.00 H new ATOM 0 HE2 MET A 3 69.313 -3.249 -9.741 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.860 -2.376 -10.285 1.00 0.00 H new ATOM 41 N THR A 4 62.928 -4.032 -10.755 1.00 0.00 N ATOM 42 CA THR A 4 61.683 -3.215 -10.844 1.00 0.00 C ATOM 43 C THR A 4 60.506 -3.971 -10.221 1.00 0.00 C ATOM 44 O THR A 4 59.506 -3.386 -9.853 1.00 0.00 O ATOM 45 CB THR A 4 61.454 -3.005 -12.341 1.00 0.00 C ATOM 46 OG1 THR A 4 60.449 -2.020 -12.530 1.00 0.00 O ATOM 47 CG2 THR A 4 61.007 -4.322 -12.980 1.00 0.00 C ATOM 0 H THR A 4 63.372 -4.244 -11.648 1.00 0.00 H new ATOM 0 HA THR A 4 61.771 -2.270 -10.308 1.00 0.00 H new ATOM 0 HB THR A 4 62.381 -2.673 -12.808 1.00 0.00 H new ATOM 0 HG1 THR A 4 60.302 -1.883 -13.489 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.844 -4.172 -14.047 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.779 -5.078 -12.834 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.080 -4.656 -12.515 1.00 0.00 H new ATOM 55 N ASP A 5 60.616 -5.265 -10.099 1.00 0.00 N ATOM 56 CA ASP A 5 59.502 -6.055 -9.500 1.00 0.00 C ATOM 57 C ASP A 5 59.573 -5.996 -7.972 1.00 0.00 C ATOM 58 O ASP A 5 58.608 -5.674 -7.308 1.00 0.00 O ATOM 59 CB ASP A 5 59.721 -7.487 -9.993 1.00 0.00 C ATOM 60 CG ASP A 5 58.670 -7.829 -11.050 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.608 -8.294 -10.671 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.946 -7.623 -12.221 1.00 0.00 O ATOM 0 H ASP A 5 61.428 -5.810 -10.388 1.00 0.00 H new ATOM 0 HA ASP A 5 58.523 -5.671 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.721 -7.589 -10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.653 -8.185 -9.158 1.00 0.00 H new ATOM 67 N GLN A 6 60.709 -6.306 -7.409 1.00 0.00 N ATOM 68 CA GLN A 6 60.840 -6.268 -5.924 1.00 0.00 C ATOM 69 C GLN A 6 60.349 -4.923 -5.383 1.00 0.00 C ATOM 70 O GLN A 6 60.018 -4.793 -4.221 1.00 0.00 O ATOM 71 CB GLN A 6 62.336 -6.437 -5.654 1.00 0.00 C ATOM 72 CG GLN A 6 62.573 -7.740 -4.887 1.00 0.00 C ATOM 73 CD GLN A 6 63.361 -8.714 -5.765 1.00 0.00 C ATOM 74 OE1 GLN A 6 63.060 -9.891 -5.808 1.00 0.00 O ATOM 75 NE2 GLN A 6 64.362 -8.270 -6.473 1.00 0.00 N ATOM 0 H GLN A 6 61.552 -6.584 -7.912 1.00 0.00 H new ATOM 0 HA GLN A 6 60.246 -7.042 -5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.887 -6.451 -6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.710 -5.591 -5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.122 -7.538 -3.967 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.620 -8.183 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 6 64.614 -7.282 -6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 6 64.893 -8.910 -7.063 1.00 0.00 H new ATOM 84 N GLN A 7 60.300 -3.919 -6.216 1.00 0.00 N ATOM 85 CA GLN A 7 59.833 -2.583 -5.748 1.00 0.00 C ATOM 86 C GLN A 7 58.423 -2.686 -5.161 1.00 0.00 C ATOM 87 O GLN A 7 58.230 -2.590 -3.966 1.00 0.00 O ATOM 88 CB GLN A 7 59.830 -1.704 -7.000 1.00 0.00 C ATOM 89 CG GLN A 7 60.922 -0.639 -6.880 1.00 0.00 C ATOM 90 CD GLN A 7 60.832 0.323 -8.066 1.00 0.00 C ATOM 91 OE1 GLN A 7 59.983 1.314 -8.025 1.00 0.00 O flip ATOM 92 NE2 GLN A 7 61.542 0.171 -9.041 1.00 0.00 N flip ATOM 0 H GLN A 7 60.563 -3.966 -7.200 1.00 0.00 H new ATOM 0 HA GLN A 7 60.471 -2.176 -4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 7 59.999 -2.315 -7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 7 58.856 -1.229 -7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.809 -0.091 -5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.904 -1.111 -6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 7 62.205 -0.603 -9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 7 61.474 0.818 -9.827 1.00 0.00 H new ATOM 101 N ALA A 8 57.437 -2.876 -5.993 1.00 0.00 N ATOM 102 CA ALA A 8 56.038 -2.980 -5.483 1.00 0.00 C ATOM 103 C ALA A 8 55.968 -3.949 -4.299 1.00 0.00 C ATOM 104 O ALA A 8 55.178 -3.778 -3.392 1.00 0.00 O ATOM 105 CB ALA A 8 55.227 -3.518 -6.662 1.00 0.00 C ATOM 0 H ALA A 8 57.538 -2.964 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 8 55.660 -2.022 -5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.183 -3.624 -6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.299 -2.825 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.620 -4.490 -6.960 1.00 0.00 H new ATOM 111 N GLU A 9 56.782 -4.968 -4.302 1.00 0.00 N ATOM 112 CA GLU A 9 56.753 -5.947 -3.177 1.00 0.00 C ATOM 113 C GLU A 9 57.665 -5.482 -2.038 1.00 0.00 C ATOM 114 O GLU A 9 57.577 -5.963 -0.926 1.00 0.00 O ATOM 115 CB GLU A 9 57.271 -7.256 -3.775 1.00 0.00 C ATOM 116 CG GLU A 9 56.689 -8.437 -2.997 1.00 0.00 C ATOM 117 CD GLU A 9 57.778 -9.489 -2.775 1.00 0.00 C ATOM 118 OE1 GLU A 9 58.942 -9.140 -2.882 1.00 0.00 O ATOM 119 OE2 GLU A 9 57.429 -10.626 -2.504 1.00 0.00 O ATOM 0 H GLU A 9 57.465 -5.166 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 9 55.753 -6.056 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.990 -7.325 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.360 -7.281 -3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 9 56.297 -8.097 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.855 -8.872 -3.547 1.00 0.00 H new ATOM 126 N ALA A 10 58.541 -4.552 -2.304 1.00 0.00 N ATOM 127 CA ALA A 10 59.453 -4.064 -1.230 1.00 0.00 C ATOM 128 C ALA A 10 58.715 -3.087 -0.313 1.00 0.00 C ATOM 129 O ALA A 10 58.907 -3.083 0.887 1.00 0.00 O ATOM 130 CB ALA A 10 60.592 -3.357 -1.967 1.00 0.00 C ATOM 0 H ALA A 10 58.665 -4.110 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 10 59.819 -4.874 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.308 -2.968 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.092 -4.065 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.188 -2.533 -2.556 1.00 0.00 H new ATOM 136 N ARG A 11 57.870 -2.260 -0.866 1.00 0.00 N ATOM 137 CA ARG A 11 57.119 -1.288 -0.019 1.00 0.00 C ATOM 138 C ARG A 11 55.934 -1.987 0.649 1.00 0.00 C ATOM 139 O ARG A 11 55.732 -1.888 1.843 1.00 0.00 O ATOM 140 CB ARG A 11 56.622 -0.204 -0.982 1.00 0.00 C ATOM 141 CG ARG A 11 57.708 0.126 -2.009 1.00 0.00 C ATOM 142 CD ARG A 11 57.231 -0.289 -3.403 1.00 0.00 C ATOM 143 NE ARG A 11 56.403 0.853 -3.880 1.00 0.00 N ATOM 144 CZ ARG A 11 56.242 1.052 -5.160 1.00 0.00 C ATOM 145 NH1 ARG A 11 57.278 1.285 -5.918 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.046 1.016 -5.679 1.00 0.00 N ATOM 0 H ARG A 11 57.667 -2.215 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 11 57.740 -0.869 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.721 -0.545 -1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.353 0.693 -0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 11 57.929 1.193 -1.991 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.632 -0.395 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.073 -0.472 -4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.649 -1.210 -3.364 1.00 0.00 H new ATOM 0 HE ARG A 11 55.962 1.480 -3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 11 58.213 1.311 -5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 11 57.153 1.441 -6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.238 0.832 -5.085 1.00 0.00 H new ATOM 0 HH22 ARG A 11 54.919 1.171 -6.679 1.00 0.00 H new ATOM 160 N ALA A 12 55.146 -2.693 -0.116 1.00 0.00 N ATOM 161 CA ALA A 12 53.972 -3.400 0.469 1.00 0.00 C ATOM 162 C ALA A 12 54.405 -4.245 1.670 1.00 0.00 C ATOM 163 O ALA A 12 53.644 -4.468 2.591 1.00 0.00 O ATOM 164 CB ALA A 12 53.450 -4.291 -0.658 1.00 0.00 C ATOM 0 H ALA A 12 55.265 -2.810 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 12 53.210 -2.710 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.581 -4.849 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.165 -3.672 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.231 -4.988 -0.962 1.00 0.00 H new ATOM 170 N PHE A 13 55.622 -4.716 1.669 1.00 0.00 N ATOM 171 CA PHE A 13 56.102 -5.544 2.813 1.00 0.00 C ATOM 172 C PHE A 13 55.823 -4.824 4.135 1.00 0.00 C ATOM 173 O PHE A 13 55.656 -5.443 5.167 1.00 0.00 O ATOM 174 CB PHE A 13 57.606 -5.695 2.587 1.00 0.00 C ATOM 175 CG PHE A 13 58.243 -6.294 3.818 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.351 -7.685 3.944 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.725 -5.461 4.833 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.941 -8.241 5.085 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.315 -6.016 5.974 1.00 0.00 C ATOM 180 CZ PHE A 13 59.423 -7.407 6.101 1.00 0.00 C ATOM 0 H PHE A 13 56.305 -4.564 0.926 1.00 0.00 H new ATOM 0 HA PHE A 13 55.601 -6.511 2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.792 -6.331 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.051 -4.724 2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.979 -8.329 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.642 -4.389 4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 13 59.024 -9.313 5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.687 -5.372 6.757 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.878 -7.836 6.982 1.00 0.00 H new ATOM 190 N LEU A 14 55.770 -3.521 4.109 1.00 0.00 N ATOM 191 CA LEU A 14 55.500 -2.758 5.361 1.00 0.00 C ATOM 192 C LEU A 14 54.369 -1.752 5.129 1.00 0.00 C ATOM 193 O LEU A 14 54.339 -1.057 4.133 1.00 0.00 O ATOM 194 CB LEU A 14 56.809 -2.030 5.670 1.00 0.00 C ATOM 195 CG LEU A 14 57.295 -1.299 4.419 1.00 0.00 C ATOM 196 CD1 LEU A 14 57.898 0.051 4.817 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.359 -2.145 3.715 1.00 0.00 C ATOM 0 H LEU A 14 55.902 -2.950 3.274 1.00 0.00 H new ATOM 0 HA LEU A 14 55.190 -3.404 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.659 -1.320 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.563 -2.742 6.004 1.00 0.00 H new ATOM 0 HG LEU A 14 56.454 -1.136 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 14 58.245 0.572 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 14 57.141 0.654 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 14 58.738 -0.111 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.706 -1.624 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.199 -2.308 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 57.930 -3.106 3.431 1.00 0.00 H new ATOM 209 N SER A 15 53.438 -1.670 6.039 1.00 0.00 N ATOM 210 CA SER A 15 52.310 -0.708 5.865 1.00 0.00 C ATOM 211 C SER A 15 52.847 0.719 5.736 1.00 0.00 C ATOM 212 O SER A 15 54.014 0.977 5.955 1.00 0.00 O ATOM 213 CB SER A 15 51.468 -0.849 7.132 1.00 0.00 C ATOM 214 OG SER A 15 50.833 -2.120 7.135 1.00 0.00 O ATOM 0 H SER A 15 53.408 -2.225 6.894 1.00 0.00 H new ATOM 0 HA SER A 15 51.730 -0.913 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.098 -0.743 8.015 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.721 -0.056 7.176 1.00 0.00 H new ATOM 0 HG SER A 15 50.293 -2.214 7.948 1.00 0.00 H new ATOM 220 N GLU A 16 52.003 1.648 5.380 1.00 0.00 N ATOM 221 CA GLU A 16 52.463 3.058 5.236 1.00 0.00 C ATOM 222 C GLU A 16 53.139 3.531 6.529 1.00 0.00 C ATOM 223 O GLU A 16 54.060 4.321 6.506 1.00 0.00 O ATOM 224 CB GLU A 16 51.188 3.861 4.965 1.00 0.00 C ATOM 225 CG GLU A 16 50.403 4.040 6.267 1.00 0.00 C ATOM 226 CD GLU A 16 48.976 4.486 5.946 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.180 3.637 5.578 1.00 0.00 O ATOM 228 OE2 GLU A 16 48.703 5.668 6.073 1.00 0.00 O ATOM 0 H GLU A 16 51.015 1.492 5.183 1.00 0.00 H new ATOM 0 HA GLU A 16 53.196 3.177 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.442 4.835 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.573 3.347 4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.386 3.104 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.893 4.780 6.900 1.00 0.00 H new ATOM 235 N GLU A 17 52.684 3.052 7.654 1.00 0.00 N ATOM 236 CA GLU A 17 53.298 3.472 8.947 1.00 0.00 C ATOM 237 C GLU A 17 54.824 3.412 8.852 1.00 0.00 C ATOM 238 O GLU A 17 55.508 4.391 9.075 1.00 0.00 O ATOM 239 CB GLU A 17 52.784 2.463 9.976 1.00 0.00 C ATOM 240 CG GLU A 17 51.262 2.567 10.079 1.00 0.00 C ATOM 241 CD GLU A 17 50.804 2.026 11.434 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.481 1.160 11.964 1.00 0.00 O ATOM 243 OE2 GLU A 17 49.784 2.487 11.921 1.00 0.00 O ATOM 0 H GLU A 17 51.914 2.388 7.735 1.00 0.00 H new ATOM 0 HA GLU A 17 53.037 4.496 9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.071 1.453 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.239 2.656 10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 17 50.949 3.605 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 17 50.793 2.003 9.273 1.00 0.00 H new ATOM 250 N MET A 18 55.363 2.269 8.525 1.00 0.00 N ATOM 251 CA MET A 18 56.845 2.147 8.418 1.00 0.00 C ATOM 252 C MET A 18 57.362 2.989 7.248 1.00 0.00 C ATOM 253 O MET A 18 58.364 3.667 7.355 1.00 0.00 O ATOM 254 CB MET A 18 57.104 0.662 8.164 1.00 0.00 C ATOM 255 CG MET A 18 58.542 0.320 8.556 1.00 0.00 C ATOM 256 SD MET A 18 58.561 -0.406 10.214 1.00 0.00 S ATOM 257 CE MET A 18 59.763 0.730 10.946 1.00 0.00 C ATOM 0 H MET A 18 54.842 1.415 8.327 1.00 0.00 H new ATOM 0 HA MET A 18 57.354 2.502 9.314 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.405 0.056 8.741 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.937 0.428 7.113 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.970 -0.379 7.837 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.159 1.218 8.534 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.536 0.869 12.003 1.00 0.00 H new ATOM 0 HE2 MET A 18 60.766 0.316 10.842 1.00 0.00 H new ATOM 0 HE3 MET A 18 59.713 1.692 10.435 1.00 0.00 H new ATOM 267 N ILE A 19 56.685 2.951 6.133 1.00 0.00 N ATOM 268 CA ILE A 19 57.139 3.750 4.958 1.00 0.00 C ATOM 269 C ILE A 19 57.446 5.188 5.382 1.00 0.00 C ATOM 270 O ILE A 19 58.469 5.744 5.035 1.00 0.00 O ATOM 271 CB ILE A 19 55.966 3.717 3.980 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.672 2.267 3.586 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.321 4.523 2.730 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.720 2.242 2.389 1.00 0.00 C ATOM 0 H ILE A 19 55.838 2.402 5.984 1.00 0.00 H new ATOM 0 HA ILE A 19 58.051 3.350 4.514 1.00 0.00 H new ATOM 0 HB ILE A 19 55.085 4.151 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.600 1.752 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.229 1.734 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.484 4.499 2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.531 5.555 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.201 4.090 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.512 1.209 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 19 53.788 2.740 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.180 2.759 1.547 1.00 0.00 H new ATOM 286 N ALA A 20 56.568 5.795 6.133 1.00 0.00 N ATOM 287 CA ALA A 20 56.811 7.196 6.581 1.00 0.00 C ATOM 288 C ALA A 20 57.988 7.240 7.559 1.00 0.00 C ATOM 289 O ALA A 20 58.606 8.267 7.755 1.00 0.00 O ATOM 290 CB ALA A 20 55.517 7.621 7.276 1.00 0.00 C ATOM 0 H ALA A 20 55.693 5.382 6.456 1.00 0.00 H new ATOM 0 HA ALA A 20 57.062 7.858 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.617 8.645 7.635 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.689 7.563 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.322 6.958 8.119 1.00 0.00 H new ATOM 296 N GLU A 21 58.301 6.132 8.172 1.00 0.00 N ATOM 297 CA GLU A 21 59.438 6.110 9.136 1.00 0.00 C ATOM 298 C GLU A 21 60.770 6.102 8.381 1.00 0.00 C ATOM 299 O GLU A 21 61.680 6.839 8.703 1.00 0.00 O ATOM 300 CB GLU A 21 59.263 4.812 9.927 1.00 0.00 C ATOM 301 CG GLU A 21 60.427 4.650 10.907 1.00 0.00 C ATOM 302 CD GLU A 21 59.945 3.901 12.150 1.00 0.00 C ATOM 303 OE1 GLU A 21 58.745 3.871 12.372 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.782 3.369 12.859 1.00 0.00 O ATOM 0 H GLU A 21 57.819 5.241 8.048 1.00 0.00 H new ATOM 0 HA GLU A 21 59.445 6.985 9.786 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.317 4.829 10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.226 3.961 9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.242 4.103 10.433 1.00 0.00 H new ATOM 0 HG3 GLU A 21 60.819 5.628 11.187 1.00 0.00 H new ATOM 311 N PHE A 22 60.889 5.277 7.377 1.00 0.00 N ATOM 312 CA PHE A 22 62.163 5.226 6.603 1.00 0.00 C ATOM 313 C PHE A 22 62.365 6.534 5.833 1.00 0.00 C ATOM 314 O PHE A 22 63.478 6.950 5.582 1.00 0.00 O ATOM 315 CB PHE A 22 61.993 4.052 5.634 1.00 0.00 C ATOM 316 CG PHE A 22 61.806 2.761 6.405 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.094 2.705 7.776 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.347 1.617 5.742 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.920 1.508 8.480 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.174 0.419 6.447 1.00 0.00 C ATOM 321 CZ PHE A 22 61.460 0.365 7.815 1.00 0.00 C ATOM 0 H PHE A 22 60.161 4.637 7.059 1.00 0.00 H new ATOM 0 HA PHE A 22 63.033 5.099 7.247 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.133 4.226 4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.867 3.975 4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.450 3.586 8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.126 1.658 4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.141 1.466 9.536 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.820 -0.463 5.934 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.326 -0.559 8.359 1.00 0.00 H new ATOM 331 N LYS A 23 61.298 7.185 5.459 1.00 0.00 N ATOM 332 CA LYS A 23 61.434 8.466 4.708 1.00 0.00 C ATOM 333 C LYS A 23 62.468 9.367 5.388 1.00 0.00 C ATOM 334 O LYS A 23 63.547 9.588 4.874 1.00 0.00 O ATOM 335 CB LYS A 23 60.047 9.106 4.759 1.00 0.00 C ATOM 336 CG LYS A 23 59.147 8.462 3.702 1.00 0.00 C ATOM 337 CD LYS A 23 59.651 8.837 2.306 1.00 0.00 C ATOM 338 CE LYS A 23 58.667 9.809 1.651 1.00 0.00 C ATOM 339 NZ LYS A 23 58.594 9.380 0.227 1.00 0.00 N ATOM 0 H LYS A 23 60.340 6.887 5.640 1.00 0.00 H new ATOM 0 HA LYS A 23 61.772 8.311 3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.612 8.977 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.123 10.179 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.146 7.379 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.118 8.798 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.638 9.294 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.756 7.942 1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 23 57.688 9.762 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.014 10.839 1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.937 10.000 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.539 9.442 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.255 8.398 0.177 1.00 0.00 H new ATOM 353 N ALA A 24 62.149 9.886 6.542 1.00 0.00 N ATOM 354 CA ALA A 24 63.119 10.768 7.253 1.00 0.00 C ATOM 355 C ALA A 24 64.454 10.039 7.426 1.00 0.00 C ATOM 356 O ALA A 24 65.506 10.647 7.451 1.00 0.00 O ATOM 357 CB ALA A 24 62.480 11.047 8.612 1.00 0.00 C ATOM 0 H ALA A 24 61.261 9.738 7.023 1.00 0.00 H new ATOM 0 HA ALA A 24 63.324 11.688 6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 24 63.136 11.692 9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.519 11.541 8.468 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.329 10.107 9.143 1.00 0.00 H new ATOM 363 N ALA A 25 64.419 8.740 7.543 1.00 0.00 N ATOM 364 CA ALA A 25 65.684 7.971 7.711 1.00 0.00 C ATOM 365 C ALA A 25 66.501 8.016 6.418 1.00 0.00 C ATOM 366 O ALA A 25 67.666 8.363 6.420 1.00 0.00 O ATOM 367 CB ALA A 25 65.239 6.540 8.016 1.00 0.00 C ATOM 0 H ALA A 25 63.568 8.178 7.529 1.00 0.00 H new ATOM 0 HA ALA A 25 66.315 8.377 8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.116 5.908 8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.639 6.532 8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.644 6.159 7.186 1.00 0.00 H new ATOM 373 N PHE A 26 65.900 7.672 5.312 1.00 0.00 N ATOM 374 CA PHE A 26 66.643 7.700 4.021 1.00 0.00 C ATOM 375 C PHE A 26 66.957 9.148 3.631 1.00 0.00 C ATOM 376 O PHE A 26 67.981 9.435 3.042 1.00 0.00 O ATOM 377 CB PHE A 26 65.698 7.056 3.000 1.00 0.00 C ATOM 378 CG PHE A 26 66.114 7.453 1.603 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.722 8.692 1.084 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.899 6.587 0.830 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.111 9.066 -0.207 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.289 6.962 -0.460 1.00 0.00 C ATOM 383 CZ PHE A 26 66.896 8.202 -0.978 1.00 0.00 C ATOM 0 H PHE A 26 64.927 7.373 5.247 1.00 0.00 H new ATOM 0 HA PHE A 26 67.594 7.171 4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.721 5.971 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.672 7.373 3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.119 9.360 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.203 5.631 1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 26 65.805 10.021 -0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.893 6.295 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.199 8.492 -1.973 1.00 0.00 H new ATOM 393 N ASP A 27 66.083 10.062 3.952 1.00 0.00 N ATOM 394 CA ASP A 27 66.331 11.489 3.598 1.00 0.00 C ATOM 395 C ASP A 27 67.557 12.013 4.349 1.00 0.00 C ATOM 396 O ASP A 27 68.047 13.091 4.081 1.00 0.00 O ATOM 397 CB ASP A 27 65.070 12.232 4.041 1.00 0.00 C ATOM 398 CG ASP A 27 63.970 12.038 2.996 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.127 11.169 2.154 1.00 0.00 O ATOM 400 OD2 ASP A 27 62.989 12.760 3.056 1.00 0.00 O ATOM 0 H ASP A 27 65.208 9.883 4.444 1.00 0.00 H new ATOM 0 HA ASP A 27 66.529 11.624 2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.736 11.859 5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.285 13.293 4.165 1.00 0.00 H new ATOM 405 N MET A 28 68.057 11.256 5.287 1.00 0.00 N ATOM 406 CA MET A 28 69.252 11.712 6.053 1.00 0.00 C ATOM 407 C MET A 28 70.405 12.018 5.095 1.00 0.00 C ATOM 408 O MET A 28 71.297 12.781 5.406 1.00 0.00 O ATOM 409 CB MET A 28 69.610 10.537 6.963 1.00 0.00 C ATOM 410 CG MET A 28 68.641 10.490 8.145 1.00 0.00 C ATOM 411 SD MET A 28 69.561 10.703 9.689 1.00 0.00 S ATOM 412 CE MET A 28 68.864 12.308 10.148 1.00 0.00 C ATOM 0 H MET A 28 67.691 10.343 5.556 1.00 0.00 H new ATOM 0 HA MET A 28 69.058 12.622 6.620 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.562 9.603 6.403 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.634 10.641 7.323 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.891 11.274 8.045 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.109 9.539 8.155 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.300 12.638 11.091 1.00 0.00 H new ATOM 0 HE2 MET A 28 69.088 13.038 9.370 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.784 12.217 10.260 1.00 0.00 H new ATOM 422 N PHE A 29 70.399 11.421 3.934 1.00 0.00 N ATOM 423 CA PHE A 29 71.504 11.673 2.961 1.00 0.00 C ATOM 424 C PHE A 29 70.928 12.128 1.616 1.00 0.00 C ATOM 425 O PHE A 29 71.566 12.016 0.589 1.00 0.00 O ATOM 426 CB PHE A 29 72.232 10.331 2.805 1.00 0.00 C ATOM 427 CG PHE A 29 72.227 9.581 4.118 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.157 8.735 4.433 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.287 9.734 5.019 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.147 8.042 5.649 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.278 9.042 6.235 1.00 0.00 C ATOM 432 CZ PHE A 29 72.208 8.196 6.550 1.00 0.00 C ATOM 0 H PHE A 29 69.680 10.771 3.616 1.00 0.00 H new ATOM 0 HA PHE A 29 72.178 12.457 3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.747 9.733 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.258 10.501 2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.339 8.617 3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.112 10.387 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.322 7.389 5.892 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.096 9.160 6.930 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.201 7.662 7.489 1.00 0.00 H new ATOM 442 N ASP A 30 69.728 12.637 1.615 1.00 0.00 N ATOM 443 CA ASP A 30 69.115 13.096 0.336 1.00 0.00 C ATOM 444 C ASP A 30 69.250 14.615 0.196 1.00 0.00 C ATOM 445 O ASP A 30 68.727 15.212 -0.723 1.00 0.00 O ATOM 446 CB ASP A 30 67.642 12.694 0.435 1.00 0.00 C ATOM 447 CG ASP A 30 66.925 13.612 1.428 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.607 14.323 2.148 1.00 0.00 O ATOM 449 OD2 ASP A 30 65.705 13.589 1.451 1.00 0.00 O ATOM 0 H ASP A 30 69.145 12.755 2.443 1.00 0.00 H new ATOM 0 HA ASP A 30 69.600 12.655 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.169 12.762 -0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.559 11.656 0.758 1.00 0.00 H new ATOM 490 N GLY A 35 66.025 12.297 -4.566 1.00 0.00 N ATOM 491 CA GLY A 35 65.252 11.052 -4.298 1.00 0.00 C ATOM 492 C GLY A 35 66.192 9.845 -4.322 1.00 0.00 C ATOM 493 O GLY A 35 65.767 8.719 -4.486 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.758 11.121 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.469 10.930 -5.047 1.00 0.00 H new ATOM 497 N ASP A 36 67.467 10.070 -4.160 1.00 0.00 N ATOM 498 CA ASP A 36 68.433 8.932 -4.174 1.00 0.00 C ATOM 499 C ASP A 36 69.800 9.391 -3.662 1.00 0.00 C ATOM 500 O ASP A 36 70.343 10.380 -4.112 1.00 0.00 O ATOM 501 CB ASP A 36 68.527 8.508 -5.640 1.00 0.00 C ATOM 502 CG ASP A 36 68.771 9.739 -6.513 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.961 10.807 -5.956 1.00 0.00 O ATOM 504 OD2 ASP A 36 68.764 9.593 -7.725 1.00 0.00 O ATOM 0 H ASP A 36 67.882 10.991 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 36 68.112 8.112 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.337 7.790 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.607 8.009 -5.945 1.00 0.00 H new ATOM 509 N ILE A 37 70.361 8.678 -2.725 1.00 0.00 N ATOM 510 CA ILE A 37 71.695 9.071 -2.186 1.00 0.00 C ATOM 511 C ILE A 37 72.796 8.269 -2.882 1.00 0.00 C ATOM 512 O ILE A 37 72.539 7.264 -3.515 1.00 0.00 O ATOM 513 CB ILE A 37 71.636 8.731 -0.697 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.698 7.212 -0.517 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.329 9.262 -0.104 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.472 6.864 0.955 1.00 0.00 C ATOM 0 H ILE A 37 69.954 7.840 -2.309 1.00 0.00 H new ATOM 0 HA ILE A 37 71.918 10.125 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 37 72.481 9.192 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.941 6.730 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.666 6.835 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.286 9.020 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.285 10.344 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.484 8.801 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.516 5.783 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.245 7.334 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.493 7.227 1.269 1.00 0.00 H new ATOM 528 N SER A 38 74.022 8.703 -2.775 1.00 0.00 N ATOM 529 CA SER A 38 75.133 7.960 -3.435 1.00 0.00 C ATOM 530 C SER A 38 75.131 6.500 -2.979 1.00 0.00 C ATOM 531 O SER A 38 75.019 6.209 -1.805 1.00 0.00 O ATOM 532 CB SER A 38 76.409 8.664 -2.977 1.00 0.00 C ATOM 533 OG SER A 38 77.486 8.281 -3.822 1.00 0.00 O ATOM 0 H SER A 38 74.302 9.538 -2.260 1.00 0.00 H new ATOM 0 HA SER A 38 75.040 7.955 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.273 9.745 -3.009 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.632 8.401 -1.943 1.00 0.00 H new ATOM 0 HG SER A 38 78.306 8.732 -3.532 1.00 0.00 H new ATOM 539 N THR A 39 75.253 5.579 -3.895 1.00 0.00 N ATOM 540 CA THR A 39 75.257 4.140 -3.506 1.00 0.00 C ATOM 541 C THR A 39 76.180 3.923 -2.305 1.00 0.00 C ATOM 542 O THR A 39 75.956 3.052 -1.488 1.00 0.00 O ATOM 543 CB THR A 39 75.781 3.398 -4.736 1.00 0.00 C ATOM 544 OG1 THR A 39 76.960 4.036 -5.205 1.00 0.00 O ATOM 545 CG2 THR A 39 74.715 3.413 -5.833 1.00 0.00 C ATOM 0 H THR A 39 75.350 5.760 -4.894 1.00 0.00 H new ATOM 0 HA THR A 39 74.269 3.786 -3.212 1.00 0.00 H new ATOM 0 HB THR A 39 76.010 2.366 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.222 3.647 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.088 2.884 -6.710 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.812 2.922 -5.470 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.484 4.444 -6.102 1.00 0.00 H new ATOM 553 N LYS A 40 77.211 4.714 -2.185 1.00 0.00 N ATOM 554 CA LYS A 40 78.141 4.557 -1.031 1.00 0.00 C ATOM 555 C LYS A 40 77.420 4.927 0.267 1.00 0.00 C ATOM 556 O LYS A 40 77.865 4.614 1.353 1.00 0.00 O ATOM 557 CB LYS A 40 79.288 5.531 -1.306 1.00 0.00 C ATOM 558 CG LYS A 40 80.572 4.746 -1.579 1.00 0.00 C ATOM 559 CD LYS A 40 81.301 5.358 -2.777 1.00 0.00 C ATOM 560 CE LYS A 40 82.683 4.716 -2.917 1.00 0.00 C ATOM 561 NZ LYS A 40 82.651 4.016 -4.231 1.00 0.00 N ATOM 0 H LYS A 40 77.450 5.462 -2.836 1.00 0.00 H new ATOM 0 HA LYS A 40 78.500 3.534 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.046 6.161 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.429 6.193 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.216 4.765 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.336 3.701 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.722 5.202 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.401 6.435 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 40 83.472 5.468 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.878 4.018 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.566 3.550 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.895 3.302 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.470 4.706 -4.988 1.00 0.00 H new ATOM 575 N GLU A 41 76.303 5.593 0.156 1.00 0.00 N ATOM 576 CA GLU A 41 75.538 5.991 1.372 1.00 0.00 C ATOM 577 C GLU A 41 74.347 5.047 1.575 1.00 0.00 C ATOM 578 O GLU A 41 73.581 5.189 2.507 1.00 0.00 O ATOM 579 CB GLU A 41 75.050 7.410 1.078 1.00 0.00 C ATOM 580 CG GLU A 41 75.025 8.224 2.371 1.00 0.00 C ATOM 581 CD GLU A 41 76.313 9.043 2.485 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.333 10.152 1.977 1.00 0.00 O ATOM 583 OE2 GLU A 41 77.257 8.547 3.077 1.00 0.00 O ATOM 0 H GLU A 41 75.885 5.880 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 41 76.141 5.944 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.706 7.887 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.053 7.378 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.159 8.886 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.927 7.560 3.229 1.00 0.00 H new ATOM 590 N LEU A 42 74.187 4.088 0.704 1.00 0.00 N ATOM 591 CA LEU A 42 73.045 3.137 0.841 1.00 0.00 C ATOM 592 C LEU A 42 73.235 2.244 2.071 1.00 0.00 C ATOM 593 O LEU A 42 72.446 2.269 2.994 1.00 0.00 O ATOM 594 CB LEU A 42 73.077 2.300 -0.439 1.00 0.00 C ATOM 595 CG LEU A 42 71.897 1.326 -0.443 1.00 0.00 C ATOM 596 CD1 LEU A 42 70.909 1.725 -1.541 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.409 -0.091 -0.709 1.00 0.00 C ATOM 0 H LEU A 42 74.797 3.921 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 42 72.094 3.652 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.028 2.950 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.016 1.750 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 42 71.396 1.357 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.068 1.031 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.545 2.735 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.409 1.693 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.570 -0.786 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.909 -0.121 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.113 -0.376 0.072 1.00 0.00 H new ATOM 609 N GLY A 43 74.275 1.455 2.089 1.00 0.00 N ATOM 610 CA GLY A 43 74.514 0.560 3.258 1.00 0.00 C ATOM 611 C GLY A 43 74.252 1.330 4.554 1.00 0.00 C ATOM 612 O GLY A 43 73.880 0.762 5.562 1.00 0.00 O ATOM 0 H GLY A 43 74.970 1.391 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.861 -0.311 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.540 0.191 3.243 1.00 0.00 H new ATOM 616 N THR A 44 74.441 2.621 4.534 1.00 0.00 N ATOM 617 CA THR A 44 74.204 3.431 5.762 1.00 0.00 C ATOM 618 C THR A 44 72.699 3.593 6.006 1.00 0.00 C ATOM 619 O THR A 44 72.212 3.395 7.101 1.00 0.00 O ATOM 620 CB THR A 44 74.859 4.786 5.468 1.00 0.00 C ATOM 621 OG1 THR A 44 76.253 4.699 5.720 1.00 0.00 O ATOM 622 CG2 THR A 44 74.245 5.869 6.360 1.00 0.00 C ATOM 0 H THR A 44 74.750 3.150 3.719 1.00 0.00 H new ATOM 0 HA THR A 44 74.617 2.965 6.657 1.00 0.00 H new ATOM 0 HB THR A 44 74.690 5.047 4.423 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.674 5.563 5.531 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.716 6.828 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.175 5.938 6.164 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.406 5.613 7.407 1.00 0.00 H new ATOM 630 N VAL A 45 71.962 3.960 4.995 1.00 0.00 N ATOM 631 CA VAL A 45 70.492 4.145 5.168 1.00 0.00 C ATOM 632 C VAL A 45 69.845 2.854 5.684 1.00 0.00 C ATOM 633 O VAL A 45 69.211 2.840 6.721 1.00 0.00 O ATOM 634 CB VAL A 45 69.975 4.488 3.770 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.459 4.284 3.715 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.301 5.948 3.452 1.00 0.00 C ATOM 0 H VAL A 45 72.314 4.140 4.055 1.00 0.00 H new ATOM 0 HA VAL A 45 70.256 4.922 5.895 1.00 0.00 H new ATOM 0 HB VAL A 45 70.454 3.837 3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.095 4.529 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.223 3.244 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.978 4.933 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.933 6.194 2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.822 6.596 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.380 6.096 3.487 1.00 0.00 H new ATOM 646 N MET A 46 69.995 1.773 4.969 1.00 0.00 N ATOM 647 CA MET A 46 69.383 0.489 5.420 1.00 0.00 C ATOM 648 C MET A 46 69.961 0.067 6.775 1.00 0.00 C ATOM 649 O MET A 46 69.245 -0.363 7.658 1.00 0.00 O ATOM 650 CB MET A 46 69.753 -0.528 4.340 1.00 0.00 C ATOM 651 CG MET A 46 71.276 -0.647 4.250 1.00 0.00 C ATOM 652 SD MET A 46 71.718 -1.639 2.802 1.00 0.00 S ATOM 653 CE MET A 46 70.432 -2.899 2.991 1.00 0.00 C ATOM 0 H MET A 46 70.514 1.722 4.093 1.00 0.00 H new ATOM 0 HA MET A 46 68.304 0.573 5.550 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.315 -1.498 4.574 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.345 -0.218 3.378 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.725 0.343 4.177 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.670 -1.109 5.155 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.652 -3.744 2.339 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.404 -3.237 4.027 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.465 -2.475 2.721 1.00 0.00 H new ATOM 663 N ARG A 47 71.249 0.183 6.945 1.00 0.00 N ATOM 664 CA ARG A 47 71.870 -0.215 8.240 1.00 0.00 C ATOM 665 C ARG A 47 71.521 0.798 9.335 1.00 0.00 C ATOM 666 O ARG A 47 71.092 0.438 10.413 1.00 0.00 O ATOM 667 CB ARG A 47 73.376 -0.218 7.973 1.00 0.00 C ATOM 668 CG ARG A 47 74.095 -0.964 9.099 1.00 0.00 C ATOM 669 CD ARG A 47 74.671 0.044 10.094 1.00 0.00 C ATOM 670 NE ARG A 47 75.848 -0.641 10.698 1.00 0.00 N ATOM 671 CZ ARG A 47 76.371 -0.188 11.803 1.00 0.00 C ATOM 672 NH1 ARG A 47 76.960 0.977 11.816 1.00 0.00 N ATOM 673 NH2 ARG A 47 76.307 -0.898 12.896 1.00 0.00 N ATOM 0 H ARG A 47 71.899 0.536 6.243 1.00 0.00 H new ATOM 0 HA ARG A 47 71.514 -1.186 8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.585 -0.695 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.746 0.805 7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.401 -1.635 9.606 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.893 -1.582 8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 47 74.965 0.967 9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 47 73.937 0.312 10.854 1.00 0.00 H new ATOM 0 HE ARG A 47 76.245 -1.465 10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.011 1.532 10.962 1.00 0.00 H new ATOM 0 HH12 ARG A 47 77.369 1.332 12.680 1.00 0.00 H new ATOM 0 HH21 ARG A 47 75.847 -1.809 12.886 1.00 0.00 H new ATOM 0 HH22 ARG A 47 76.717 -0.542 13.760 1.00 0.00 H new ATOM 687 N MET A 48 71.704 2.062 9.067 1.00 0.00 N ATOM 688 CA MET A 48 71.384 3.095 10.094 1.00 0.00 C ATOM 689 C MET A 48 69.891 3.061 10.438 1.00 0.00 C ATOM 690 O MET A 48 69.454 3.658 11.403 1.00 0.00 O ATOM 691 CB MET A 48 71.752 4.428 9.441 1.00 0.00 C ATOM 692 CG MET A 48 71.458 5.572 10.413 1.00 0.00 C ATOM 693 SD MET A 48 72.471 5.375 11.901 1.00 0.00 S ATOM 694 CE MET A 48 71.449 6.381 13.004 1.00 0.00 C ATOM 0 H MET A 48 72.061 2.424 8.183 1.00 0.00 H new ATOM 0 HA MET A 48 71.926 2.931 11.025 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.807 4.432 9.167 1.00 0.00 H new ATOM 0 HB3 MET A 48 71.183 4.563 8.521 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.671 6.530 9.939 1.00 0.00 H new ATOM 0 HG3 MET A 48 70.401 5.576 10.678 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.896 6.399 13.998 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.387 7.398 12.616 1.00 0.00 H new ATOM 0 HE3 MET A 48 70.448 5.953 13.064 1.00 0.00 H new ATOM 704 N LEU A 49 69.107 2.369 9.658 1.00 0.00 N ATOM 705 CA LEU A 49 67.645 2.302 9.946 1.00 0.00 C ATOM 706 C LEU A 49 67.368 1.271 11.043 1.00 0.00 C ATOM 707 O LEU A 49 66.330 1.288 11.675 1.00 0.00 O ATOM 708 CB LEU A 49 67.002 1.870 8.628 1.00 0.00 C ATOM 709 CG LEU A 49 66.353 3.082 7.957 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.262 2.846 6.449 1.00 0.00 C ATOM 711 CD2 LEU A 49 64.946 3.286 8.524 1.00 0.00 C ATOM 0 H LEU A 49 69.413 1.848 8.836 1.00 0.00 H new ATOM 0 HA LEU A 49 67.249 3.254 10.300 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.754 1.435 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.254 1.098 8.811 1.00 0.00 H new ATOM 0 HG LEU A 49 66.957 3.968 8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.799 3.710 5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.263 2.700 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.659 1.959 6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.483 4.149 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.344 2.398 8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.008 3.456 9.599 1.00 0.00 H new ATOM 723 N GLY A 50 68.287 0.375 11.277 1.00 0.00 N ATOM 724 CA GLY A 50 68.072 -0.651 12.336 1.00 0.00 C ATOM 725 C GLY A 50 68.518 -2.023 11.824 1.00 0.00 C ATOM 726 O GLY A 50 68.637 -2.968 12.579 1.00 0.00 O ATOM 0 H GLY A 50 69.176 0.309 10.782 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.634 -0.386 13.232 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.019 -0.682 12.618 1.00 0.00 H new ATOM 730 N GLN A 51 68.768 -2.141 10.549 1.00 0.00 N ATOM 731 CA GLN A 51 69.208 -3.455 9.996 1.00 0.00 C ATOM 732 C GLN A 51 70.734 -3.560 10.028 1.00 0.00 C ATOM 733 O GLN A 51 71.414 -2.706 10.560 1.00 0.00 O ATOM 734 CB GLN A 51 68.702 -3.470 8.553 1.00 0.00 C ATOM 735 CG GLN A 51 67.177 -3.362 8.547 1.00 0.00 C ATOM 736 CD GLN A 51 66.768 -1.889 8.508 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.689 -1.240 9.532 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.500 -1.329 7.359 1.00 0.00 N ATOM 0 H GLN A 51 68.687 -1.387 9.867 1.00 0.00 H new ATOM 0 HA GLN A 51 68.819 -4.294 10.573 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.138 -2.642 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.014 -4.389 8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.768 -3.886 7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.765 -3.841 9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.566 -1.873 6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.225 -0.348 7.322 1.00 0.00 H new ATOM 747 N ASN A 52 71.276 -4.604 9.463 1.00 0.00 N ATOM 748 CA ASN A 52 72.758 -4.765 9.461 1.00 0.00 C ATOM 749 C ASN A 52 73.195 -5.613 8.264 1.00 0.00 C ATOM 750 O ASN A 52 73.422 -6.800 8.394 1.00 0.00 O ATOM 751 CB ASN A 52 73.078 -5.481 10.772 1.00 0.00 C ATOM 752 CG ASN A 52 74.407 -4.963 11.325 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.421 -5.022 10.657 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.446 -4.452 12.525 1.00 0.00 N ATOM 0 H ASN A 52 70.757 -5.352 9.003 1.00 0.00 H new ATOM 0 HA ASN A 52 73.279 -3.811 9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.280 -5.312 11.495 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.135 -6.557 10.607 1.00 0.00 H new ATOM 0 HD21 ASN A 52 75.327 -4.102 12.902 1.00 0.00 H new ATOM 0 HD22 ASN A 52 73.596 -4.402 13.086 1.00 0.00 H new ATOM 761 N PRO A 53 73.296 -4.970 7.134 1.00 0.00 N ATOM 762 CA PRO A 53 73.710 -5.667 5.893 1.00 0.00 C ATOM 763 C PRO A 53 75.208 -5.985 5.935 1.00 0.00 C ATOM 764 O PRO A 53 76.033 -5.107 6.092 1.00 0.00 O ATOM 765 CB PRO A 53 73.401 -4.655 4.794 1.00 0.00 C ATOM 766 CG PRO A 53 73.438 -3.322 5.472 1.00 0.00 C ATOM 767 CD PRO A 53 73.037 -3.544 6.908 1.00 0.00 C ATOM 0 HA PRO A 53 73.200 -6.619 5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.135 -4.709 3.990 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.425 -4.843 4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.436 -2.888 5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.757 -2.623 4.986 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.620 -2.920 7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.988 -3.298 7.072 1.00 0.00 H new ATOM 775 N THR A 54 75.565 -7.232 5.794 1.00 0.00 N ATOM 776 CA THR A 54 77.010 -7.599 5.826 1.00 0.00 C ATOM 777 C THR A 54 77.764 -6.862 4.718 1.00 0.00 C ATOM 778 O THR A 54 77.253 -6.661 3.634 1.00 0.00 O ATOM 779 CB THR A 54 77.042 -9.109 5.586 1.00 0.00 C ATOM 780 OG1 THR A 54 76.176 -9.433 4.507 1.00 0.00 O ATOM 781 CG2 THR A 54 76.582 -9.840 6.849 1.00 0.00 C ATOM 0 H THR A 54 74.921 -8.011 5.658 1.00 0.00 H new ATOM 0 HA THR A 54 77.485 -7.328 6.769 1.00 0.00 H new ATOM 0 HB THR A 54 78.059 -9.417 5.342 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.196 -10.400 4.350 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.606 -10.916 6.676 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.247 -9.591 7.676 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.565 -9.535 7.096 1.00 0.00 H new ATOM 789 N LYS A 55 78.976 -6.455 4.979 1.00 0.00 N ATOM 790 CA LYS A 55 79.758 -5.730 3.939 1.00 0.00 C ATOM 791 C LYS A 55 79.589 -6.413 2.580 1.00 0.00 C ATOM 792 O LYS A 55 79.266 -5.783 1.593 1.00 0.00 O ATOM 793 CB LYS A 55 81.212 -5.813 4.403 1.00 0.00 C ATOM 794 CG LYS A 55 82.014 -4.674 3.770 1.00 0.00 C ATOM 795 CD LYS A 55 82.486 -3.713 4.864 1.00 0.00 C ATOM 796 CE LYS A 55 81.714 -2.397 4.757 1.00 0.00 C ATOM 797 NZ LYS A 55 80.867 -2.349 5.981 1.00 0.00 N ATOM 0 H LYS A 55 79.458 -6.593 5.867 1.00 0.00 H new ATOM 0 HA LYS A 55 79.428 -4.698 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.263 -5.748 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.641 -6.775 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.871 -5.075 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.399 -4.142 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.330 -4.159 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.556 -3.528 4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.391 -1.544 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 55 81.105 -2.369 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 80.306 -1.473 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 80.228 -3.170 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 81.475 -2.371 6.825 1.00 0.00 H new ATOM 811 N GLU A 56 79.800 -7.700 2.522 1.00 0.00 N ATOM 812 CA GLU A 56 79.648 -8.421 1.225 1.00 0.00 C ATOM 813 C GLU A 56 78.304 -8.069 0.583 1.00 0.00 C ATOM 814 O GLU A 56 78.213 -7.843 -0.608 1.00 0.00 O ATOM 815 CB GLU A 56 79.696 -9.906 1.590 1.00 0.00 C ATOM 816 CG GLU A 56 79.566 -10.749 0.321 1.00 0.00 C ATOM 817 CD GLU A 56 78.415 -11.744 0.484 1.00 0.00 C ATOM 818 OE1 GLU A 56 78.307 -12.324 1.552 1.00 0.00 O ATOM 819 OE2 GLU A 56 77.662 -11.908 -0.461 1.00 0.00 O ATOM 0 H GLU A 56 80.070 -8.283 3.314 1.00 0.00 H new ATOM 0 HA GLU A 56 80.424 -8.153 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.633 -10.136 2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.890 -10.147 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 56 79.384 -10.105 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.497 -11.282 0.129 1.00 0.00 H new ATOM 826 N GLU A 57 77.259 -8.018 1.363 1.00 0.00 N ATOM 827 CA GLU A 57 75.921 -7.678 0.798 1.00 0.00 C ATOM 828 C GLU A 57 75.932 -6.254 0.239 1.00 0.00 C ATOM 829 O GLU A 57 75.446 -5.997 -0.844 1.00 0.00 O ATOM 830 CB GLU A 57 74.953 -7.784 1.976 1.00 0.00 C ATOM 831 CG GLU A 57 74.389 -9.204 2.048 1.00 0.00 C ATOM 832 CD GLU A 57 73.033 -9.251 1.341 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.609 -8.219 0.846 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.442 -10.317 1.306 1.00 0.00 O ATOM 0 H GLU A 57 77.273 -8.197 2.367 1.00 0.00 H new ATOM 0 HA GLU A 57 75.638 -8.340 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.467 -7.538 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.142 -7.065 1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.080 -9.905 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.280 -9.511 3.088 1.00 0.00 H new ATOM 841 N LEU A 58 76.484 -5.324 0.971 1.00 0.00 N ATOM 842 CA LEU A 58 76.526 -3.917 0.481 1.00 0.00 C ATOM 843 C LEU A 58 77.222 -3.857 -0.882 1.00 0.00 C ATOM 844 O LEU A 58 76.659 -3.403 -1.858 1.00 0.00 O ATOM 845 CB LEU A 58 77.336 -3.155 1.531 1.00 0.00 C ATOM 846 CG LEU A 58 76.584 -3.166 2.863 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.239 -2.176 3.829 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.127 -2.759 2.629 1.00 0.00 C ATOM 0 H LEU A 58 76.907 -5.478 1.886 1.00 0.00 H new ATOM 0 HA LEU A 58 75.530 -3.493 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.317 -3.614 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.502 -2.129 1.203 1.00 0.00 H new ATOM 0 HG LEU A 58 76.619 -4.168 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.703 -2.184 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.277 -2.464 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 58 77.205 -1.174 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.590 -2.767 3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.093 -1.757 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.658 -3.463 1.941 1.00 0.00 H new ATOM 860 N ASP A 59 78.442 -4.314 -0.955 1.00 0.00 N ATOM 861 CA ASP A 59 79.172 -4.286 -2.255 1.00 0.00 C ATOM 862 C ASP A 59 78.327 -4.943 -3.349 1.00 0.00 C ATOM 863 O ASP A 59 78.261 -4.468 -4.466 1.00 0.00 O ATOM 864 CB ASP A 59 80.451 -5.087 -2.009 1.00 0.00 C ATOM 865 CG ASP A 59 81.671 -4.206 -2.287 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.497 -3.002 -2.388 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.757 -4.749 -2.394 1.00 0.00 O ATOM 0 H ASP A 59 78.965 -4.705 -0.172 1.00 0.00 H new ATOM 0 HA ASP A 59 79.386 -3.270 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.475 -5.445 -0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.471 -5.966 -2.653 1.00 0.00 H new ATOM 872 N ALA A 60 77.677 -6.030 -3.036 1.00 0.00 N ATOM 873 CA ALA A 60 76.835 -6.716 -4.059 1.00 0.00 C ATOM 874 C ALA A 60 75.629 -5.844 -4.419 1.00 0.00 C ATOM 875 O ALA A 60 75.242 -5.745 -5.566 1.00 0.00 O ATOM 876 CB ALA A 60 76.378 -8.014 -3.393 1.00 0.00 C ATOM 0 H ALA A 60 77.692 -6.473 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 60 77.380 -6.904 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.751 -8.577 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.249 -8.611 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.807 -7.780 -2.494 1.00 0.00 H new ATOM 882 N ILE A 61 75.033 -5.209 -3.446 1.00 0.00 N ATOM 883 CA ILE A 61 73.854 -4.344 -3.734 1.00 0.00 C ATOM 884 C ILE A 61 74.301 -3.067 -4.449 1.00 0.00 C ATOM 885 O ILE A 61 73.814 -2.736 -5.511 1.00 0.00 O ATOM 886 CB ILE A 61 73.259 -4.013 -2.367 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.718 -5.293 -1.725 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.118 -3.008 -2.536 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.330 -5.011 -0.273 1.00 0.00 C ATOM 0 H ILE A 61 75.311 -5.252 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 61 73.129 -4.836 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 61 74.031 -3.582 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.852 -5.653 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.472 -6.079 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.694 -2.772 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.501 -2.097 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.345 -3.438 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.945 -5.922 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.207 -4.671 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.562 -4.238 -0.245 1.00 0.00 H new ATOM 901 N ILE A 62 75.229 -2.348 -3.877 1.00 0.00 N ATOM 902 CA ILE A 62 75.705 -1.096 -4.532 1.00 0.00 C ATOM 903 C ILE A 62 75.940 -1.348 -6.023 1.00 0.00 C ATOM 904 O ILE A 62 75.254 -0.811 -6.869 1.00 0.00 O ATOM 905 CB ILE A 62 77.018 -0.753 -3.830 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.723 -0.262 -2.410 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.740 0.348 -4.608 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.960 -0.459 -1.533 1.00 0.00 C ATOM 0 H ILE A 62 75.676 -2.572 -2.988 1.00 0.00 H new ATOM 0 HA ILE A 62 74.982 -0.284 -4.453 1.00 0.00 H new ATOM 0 HB ILE A 62 77.649 -1.641 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 62 76.442 0.791 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.878 -0.810 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.677 0.593 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.949 0.001 -5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 62 77.109 1.236 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.749 -0.109 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.221 -1.517 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.794 0.109 -1.947 1.00 0.00 H new ATOM 920 N GLU A 63 76.903 -2.167 -6.352 1.00 0.00 N ATOM 921 CA GLU A 63 77.175 -2.456 -7.789 1.00 0.00 C ATOM 922 C GLU A 63 75.860 -2.736 -8.523 1.00 0.00 C ATOM 923 O GLU A 63 75.622 -2.238 -9.605 1.00 0.00 O ATOM 924 CB GLU A 63 78.061 -3.703 -7.780 1.00 0.00 C ATOM 925 CG GLU A 63 78.785 -3.826 -9.121 1.00 0.00 C ATOM 926 CD GLU A 63 79.021 -5.303 -9.442 1.00 0.00 C ATOM 927 OE1 GLU A 63 78.047 -6.029 -9.547 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.172 -5.683 -9.576 1.00 0.00 O ATOM 0 H GLU A 63 77.512 -2.647 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 63 77.655 -1.621 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.786 -3.641 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.455 -4.591 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.193 -3.362 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.736 -3.295 -9.082 1.00 0.00 H new ATOM 935 N GLU A 64 75.004 -3.527 -7.938 1.00 0.00 N ATOM 936 CA GLU A 64 73.701 -3.838 -8.593 1.00 0.00 C ATOM 937 C GLU A 64 72.916 -2.545 -8.836 1.00 0.00 C ATOM 938 O GLU A 64 72.377 -2.324 -9.902 1.00 0.00 O ATOM 939 CB GLU A 64 72.970 -4.746 -7.595 1.00 0.00 C ATOM 940 CG GLU A 64 71.455 -4.648 -7.804 1.00 0.00 C ATOM 941 CD GLU A 64 70.769 -5.843 -7.139 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.286 -6.941 -7.261 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.737 -5.640 -6.520 1.00 0.00 O ATOM 0 H GLU A 64 75.150 -3.973 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 64 73.821 -4.319 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.297 -5.778 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.224 -4.457 -6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.078 -3.717 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.225 -4.630 -8.869 1.00 0.00 H new ATOM 950 N VAL A 65 72.844 -1.693 -7.850 1.00 0.00 N ATOM 951 CA VAL A 65 72.089 -0.419 -8.021 1.00 0.00 C ATOM 952 C VAL A 65 72.982 0.650 -8.658 1.00 0.00 C ATOM 953 O VAL A 65 72.515 1.688 -9.082 1.00 0.00 O ATOM 954 CB VAL A 65 71.681 -0.012 -6.605 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.941 -1.171 -5.935 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.931 0.330 -5.788 1.00 0.00 C ATOM 0 H VAL A 65 73.275 -1.824 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 65 71.226 -0.534 -8.677 1.00 0.00 H new ATOM 0 HB VAL A 65 71.029 0.860 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.650 -0.882 -4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 65 70.050 -1.417 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.595 -2.042 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.638 0.620 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.584 -0.541 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 65 73.462 1.155 -6.263 1.00 0.00 H new ATOM 966 N ASP A 66 74.262 0.405 -8.730 1.00 0.00 N ATOM 967 CA ASP A 66 75.178 1.410 -9.343 1.00 0.00 C ATOM 968 C ASP A 66 75.028 1.397 -10.867 1.00 0.00 C ATOM 969 O ASP A 66 75.612 2.202 -11.565 1.00 0.00 O ATOM 970 CB ASP A 66 76.585 0.969 -8.940 1.00 0.00 C ATOM 971 CG ASP A 66 77.321 2.141 -8.290 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.879 2.943 -9.021 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.314 2.218 -7.072 1.00 0.00 O ATOM 0 H ASP A 66 74.713 -0.445 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 66 74.960 2.424 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.530 0.131 -8.246 1.00 0.00 H new ATOM 0 HB3 ASP A 66 77.134 0.622 -9.816 1.00 0.00 H new ATOM 1030 N THR A 72 73.178 6.322 -7.912 1.00 0.00 N ATOM 1031 CA THR A 72 72.196 6.766 -6.882 1.00 0.00 C ATOM 1032 C THR A 72 71.058 5.747 -6.759 1.00 0.00 C ATOM 1033 O THR A 72 70.581 5.216 -7.743 1.00 0.00 O ATOM 1034 CB THR A 72 71.666 8.106 -7.393 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.512 8.045 -8.805 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.651 9.219 -7.033 1.00 0.00 C ATOM 0 HA THR A 72 72.646 6.856 -5.894 1.00 0.00 H new ATOM 0 HB THR A 72 70.702 8.315 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.188 7.444 -9.182 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.271 10.173 -7.398 1.00 0.00 H new ATOM 0 HG22 THR A 72 72.768 9.265 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.617 9.013 -7.494 1.00 0.00 H new ATOM 1044 N ILE A 73 70.622 5.472 -5.561 1.00 0.00 N ATOM 1045 CA ILE A 73 69.515 4.488 -5.376 1.00 0.00 C ATOM 1046 C ILE A 73 68.174 5.216 -5.242 1.00 0.00 C ATOM 1047 O ILE A 73 68.066 6.218 -4.564 1.00 0.00 O ATOM 1048 CB ILE A 73 69.854 3.748 -4.082 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.684 2.842 -3.695 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.103 4.762 -2.964 1.00 0.00 C ATOM 1051 CD1 ILE A 73 68.709 1.577 -4.555 1.00 0.00 C ATOM 0 H ILE A 73 70.983 5.885 -4.701 1.00 0.00 H new ATOM 0 HA ILE A 73 69.423 3.808 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 73 70.750 3.145 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.749 2.578 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.741 3.370 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.345 4.234 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.935 5.411 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.207 5.365 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 73 67.875 0.932 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 73 68.623 1.850 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.647 1.046 -4.394 1.00 0.00 H new ATOM 1063 N ASP A 74 67.152 4.718 -5.883 1.00 0.00 N ATOM 1064 CA ASP A 74 65.819 5.383 -5.791 1.00 0.00 C ATOM 1065 C ASP A 74 65.076 4.909 -4.539 1.00 0.00 C ATOM 1066 O ASP A 74 65.034 3.733 -4.238 1.00 0.00 O ATOM 1067 CB ASP A 74 65.072 4.948 -7.052 1.00 0.00 C ATOM 1068 CG ASP A 74 65.263 5.997 -8.147 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.567 7.130 -7.810 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.103 5.651 -9.306 1.00 0.00 O ATOM 0 H ASP A 74 67.181 3.881 -6.466 1.00 0.00 H new ATOM 0 HA ASP A 74 65.903 6.467 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.443 3.981 -7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.011 4.824 -6.834 1.00 0.00 H new ATOM 1075 N PHE A 75 64.487 5.816 -3.809 1.00 0.00 N ATOM 1076 CA PHE A 75 63.745 5.418 -2.579 1.00 0.00 C ATOM 1077 C PHE A 75 62.897 4.173 -2.853 1.00 0.00 C ATOM 1078 O PHE A 75 63.048 3.154 -2.209 1.00 0.00 O ATOM 1079 CB PHE A 75 62.847 6.611 -2.252 1.00 0.00 C ATOM 1080 CG PHE A 75 62.248 6.426 -0.880 1.00 0.00 C ATOM 1081 CD1 PHE A 75 62.936 6.878 0.252 1.00 0.00 C ATOM 1082 CD2 PHE A 75 61.004 5.799 -0.739 1.00 0.00 C ATOM 1083 CE1 PHE A 75 62.380 6.702 1.526 1.00 0.00 C ATOM 1084 CE2 PHE A 75 60.448 5.624 0.534 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.136 6.076 1.666 1.00 0.00 C ATOM 0 H PHE A 75 64.487 6.816 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 75 64.416 5.174 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.424 7.535 -2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.056 6.700 -2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 75 63.895 7.362 0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 75 60.473 5.450 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 75 62.911 7.049 2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 75 59.488 5.140 0.642 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.707 5.942 2.648 1.00 0.00 H new ATOM 1095 N GLU A 76 62.006 4.249 -3.804 1.00 0.00 N ATOM 1096 CA GLU A 76 61.150 3.070 -4.119 1.00 0.00 C ATOM 1097 C GLU A 76 62.025 1.840 -4.372 1.00 0.00 C ATOM 1098 O GLU A 76 61.831 0.796 -3.781 1.00 0.00 O ATOM 1099 CB GLU A 76 60.390 3.462 -5.385 1.00 0.00 C ATOM 1100 CG GLU A 76 59.233 4.390 -5.017 1.00 0.00 C ATOM 1101 CD GLU A 76 59.643 5.843 -5.272 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.891 6.174 -6.420 1.00 0.00 O ATOM 1103 OE2 GLU A 76 59.702 6.598 -4.316 1.00 0.00 O ATOM 0 H GLU A 76 61.834 5.076 -4.376 1.00 0.00 H new ATOM 0 HA GLU A 76 60.474 2.816 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.061 3.960 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.011 2.571 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.351 4.141 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 76 58.964 4.255 -3.969 1.00 0.00 H new ATOM 1110 N GLU A 77 62.989 1.957 -5.242 1.00 0.00 N ATOM 1111 CA GLU A 77 63.879 0.796 -5.525 1.00 0.00 C ATOM 1112 C GLU A 77 64.691 0.448 -4.276 1.00 0.00 C ATOM 1113 O GLU A 77 65.125 -0.671 -4.095 1.00 0.00 O ATOM 1114 CB GLU A 77 64.801 1.266 -6.651 1.00 0.00 C ATOM 1115 CG GLU A 77 65.760 0.137 -7.032 1.00 0.00 C ATOM 1116 CD GLU A 77 65.603 -0.186 -8.519 1.00 0.00 C ATOM 1117 OE1 GLU A 77 64.490 -0.088 -9.011 1.00 0.00 O ATOM 1118 OE2 GLU A 77 66.596 -0.524 -9.140 1.00 0.00 O ATOM 0 H GLU A 77 63.199 2.805 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 77 63.321 -0.097 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.211 1.564 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.364 2.143 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.788 0.431 -6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.552 -0.749 -6.433 1.00 0.00 H new ATOM 1125 N PHE A 78 64.895 1.404 -3.412 1.00 0.00 N ATOM 1126 CA PHE A 78 65.674 1.137 -2.168 1.00 0.00 C ATOM 1127 C PHE A 78 64.823 0.321 -1.187 1.00 0.00 C ATOM 1128 O PHE A 78 65.323 -0.520 -0.468 1.00 0.00 O ATOM 1129 CB PHE A 78 65.992 2.528 -1.603 1.00 0.00 C ATOM 1130 CG PHE A 78 66.194 2.451 -0.106 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.321 1.806 0.417 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.250 3.022 0.756 1.00 0.00 C ATOM 1133 CE1 PHE A 78 67.503 1.733 1.804 1.00 0.00 C ATOM 1134 CE2 PHE A 78 65.432 2.949 2.142 1.00 0.00 C ATOM 1135 CZ PHE A 78 66.559 2.304 2.666 1.00 0.00 C ATOM 0 H PHE A 78 64.556 2.361 -3.513 1.00 0.00 H new ATOM 0 HA PHE A 78 66.581 0.560 -2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.889 2.925 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.179 3.216 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.049 1.365 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.381 3.519 0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.372 1.236 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 78 64.704 3.390 2.807 1.00 0.00 H new ATOM 0 HZ PHE A 78 66.700 2.247 3.735 1.00 0.00 H new ATOM 1145 N LEU A 79 63.542 0.568 -1.154 1.00 0.00 N ATOM 1146 CA LEU A 79 62.659 -0.189 -0.220 1.00 0.00 C ATOM 1147 C LEU A 79 62.996 -1.683 -0.258 1.00 0.00 C ATOM 1148 O LEU A 79 62.746 -2.407 0.685 1.00 0.00 O ATOM 1149 CB LEU A 79 61.239 0.055 -0.734 1.00 0.00 C ATOM 1150 CG LEU A 79 60.631 1.255 -0.007 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.172 2.296 -1.030 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.430 0.793 0.821 1.00 0.00 C ATOM 0 H LEU A 79 63.068 1.261 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 79 62.781 0.134 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.256 0.238 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.625 -0.831 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 79 61.380 1.698 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.739 3.151 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 79 61.026 2.626 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.424 1.854 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 79 58.995 1.647 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 79 58.683 0.350 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 79 59.755 0.052 1.551 1.00 0.00 H new ATOM 1164 N VAL A 80 63.557 -2.150 -1.340 1.00 0.00 N ATOM 1165 CA VAL A 80 63.905 -3.598 -1.431 1.00 0.00 C ATOM 1166 C VAL A 80 65.159 -3.895 -0.604 1.00 0.00 C ATOM 1167 O VAL A 80 65.325 -4.979 -0.081 1.00 0.00 O ATOM 1168 CB VAL A 80 64.169 -3.850 -2.916 1.00 0.00 C ATOM 1169 CG1 VAL A 80 62.981 -3.349 -3.739 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.433 -3.103 -3.343 1.00 0.00 C ATOM 0 H VAL A 80 63.789 -1.594 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 80 63.112 -4.238 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 80 64.303 -4.919 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.170 -3.529 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.079 -3.880 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 80 62.847 -2.280 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.622 -3.282 -4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.299 -2.035 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.281 -3.459 -2.758 1.00 0.00 H new ATOM 1180 N MET A 81 66.040 -2.943 -0.476 1.00 0.00 N ATOM 1181 CA MET A 81 67.278 -3.179 0.323 1.00 0.00 C ATOM 1182 C MET A 81 66.954 -3.132 1.819 1.00 0.00 C ATOM 1183 O MET A 81 67.229 -4.059 2.554 1.00 0.00 O ATOM 1184 CB MET A 81 68.222 -2.039 -0.062 1.00 0.00 C ATOM 1185 CG MET A 81 68.921 -2.378 -1.380 1.00 0.00 C ATOM 1186 SD MET A 81 67.995 -1.653 -2.757 1.00 0.00 S ATOM 1187 CE MET A 81 68.844 -2.532 -4.092 1.00 0.00 C ATOM 0 H MET A 81 65.958 -2.014 -0.888 1.00 0.00 H new ATOM 0 HA MET A 81 67.721 -4.155 0.125 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.663 -1.109 -0.163 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.961 -1.883 0.724 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.941 -1.995 -1.372 1.00 0.00 H new ATOM 0 HG3 MET A 81 68.987 -3.459 -1.501 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.448 -2.204 -5.053 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.912 -2.318 -4.047 1.00 0.00 H new ATOM 0 HE3 MET A 81 68.684 -3.604 -3.981 1.00 0.00 H new ATOM 1197 N MET A 82 66.371 -2.057 2.275 1.00 0.00 N ATOM 1198 CA MET A 82 66.028 -1.948 3.723 1.00 0.00 C ATOM 1199 C MET A 82 65.067 -3.067 4.134 1.00 0.00 C ATOM 1200 O MET A 82 65.077 -3.524 5.260 1.00 0.00 O ATOM 1201 CB MET A 82 65.349 -0.585 3.879 1.00 0.00 C ATOM 1202 CG MET A 82 64.330 -0.375 2.757 1.00 0.00 C ATOM 1203 SD MET A 82 63.133 0.885 3.263 1.00 0.00 S ATOM 1204 CE MET A 82 61.648 -0.142 3.137 1.00 0.00 C ATOM 0 H MET A 82 66.117 -1.248 1.707 1.00 0.00 H new ATOM 0 HA MET A 82 66.912 -2.039 4.354 1.00 0.00 H new ATOM 0 HB2 MET A 82 64.853 -0.526 4.848 1.00 0.00 H new ATOM 0 HB3 MET A 82 66.097 0.208 3.855 1.00 0.00 H new ATOM 0 HG2 MET A 82 64.837 -0.065 1.843 1.00 0.00 H new ATOM 0 HG3 MET A 82 63.818 -1.311 2.536 1.00 0.00 H new ATOM 0 HE1 MET A 82 60.762 0.490 3.200 1.00 0.00 H new ATOM 0 HE2 MET A 82 61.650 -0.670 2.183 1.00 0.00 H new ATOM 0 HE3 MET A 82 61.636 -0.866 3.952 1.00 0.00 H new ATOM 1214 N VAL A 83 64.234 -3.509 3.233 1.00 0.00 N ATOM 1215 CA VAL A 83 63.270 -4.592 3.580 1.00 0.00 C ATOM 1216 C VAL A 83 63.933 -5.963 3.442 1.00 0.00 C ATOM 1217 O VAL A 83 64.103 -6.679 4.409 1.00 0.00 O ATOM 1218 CB VAL A 83 62.132 -4.440 2.576 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.166 -5.617 2.719 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.394 -3.129 2.854 1.00 0.00 C ATOM 0 H VAL A 83 64.179 -3.168 2.273 1.00 0.00 H new ATOM 0 HA VAL A 83 62.920 -4.518 4.609 1.00 0.00 H new ATOM 0 HB VAL A 83 62.532 -4.427 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.352 -5.509 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.697 -6.549 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.759 -5.633 3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.578 -3.012 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.991 -3.146 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.086 -2.293 2.753 1.00 0.00 H new ATOM 1230 N ARG A 84 64.307 -6.336 2.248 1.00 0.00 N ATOM 1231 CA ARG A 84 64.958 -7.663 2.052 1.00 0.00 C ATOM 1232 C ARG A 84 65.968 -7.919 3.172 1.00 0.00 C ATOM 1233 O ARG A 84 66.197 -9.044 3.570 1.00 0.00 O ATOM 1234 CB ARG A 84 65.657 -7.563 0.696 1.00 0.00 C ATOM 1235 CG ARG A 84 64.603 -7.459 -0.409 1.00 0.00 C ATOM 1236 CD ARG A 84 65.294 -7.360 -1.770 1.00 0.00 C ATOM 1237 NE ARG A 84 65.983 -8.669 -1.950 1.00 0.00 N ATOM 1238 CZ ARG A 84 65.284 -9.763 -2.090 1.00 0.00 C ATOM 1239 NH1 ARG A 84 63.986 -9.701 -2.219 1.00 0.00 N ATOM 1240 NH2 ARG A 84 65.884 -10.923 -2.103 1.00 0.00 N ATOM 0 H ARG A 84 64.190 -5.780 1.401 1.00 0.00 H new ATOM 0 HA ARG A 84 64.246 -8.488 2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.311 -6.691 0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.287 -8.438 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.949 -8.331 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 84 63.974 -6.584 -0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.572 -7.181 -2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 84 66.005 -6.534 -1.792 1.00 0.00 H new ATOM 0 HE ARG A 84 67.002 -8.710 -1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 84 63.515 -8.796 -2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 84 63.443 -10.557 -2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 84 66.898 -10.974 -2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 84 65.339 -11.778 -2.212 1.00 0.00 H new ATOM 1254 N GLN A 85 66.560 -6.881 3.697 1.00 0.00 N ATOM 1255 CA GLN A 85 67.537 -7.064 4.806 1.00 0.00 C ATOM 1256 C GLN A 85 66.783 -7.173 6.132 1.00 0.00 C ATOM 1257 O GLN A 85 67.122 -7.964 6.990 1.00 0.00 O ATOM 1258 CB GLN A 85 68.411 -5.809 4.786 1.00 0.00 C ATOM 1259 CG GLN A 85 69.419 -5.872 5.935 1.00 0.00 C ATOM 1260 CD GLN A 85 70.536 -6.857 5.584 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.175 -6.727 4.453 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 70.829 -7.757 6.346 1.00 0.00 N flip ATOM 0 H GLN A 85 66.409 -5.915 3.406 1.00 0.00 H new ATOM 0 HA GLN A 85 68.136 -7.968 4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.934 -5.732 3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.790 -4.918 4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.838 -4.883 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.921 -6.184 6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.330 -7.859 7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.574 -8.410 6.102 1.00 0.00 H new ATOM 1271 N MET A 86 65.751 -6.391 6.298 1.00 0.00 N ATOM 1272 CA MET A 86 64.962 -6.453 7.561 1.00 0.00 C ATOM 1273 C MET A 86 64.210 -7.783 7.629 1.00 0.00 C ATOM 1274 O MET A 86 63.897 -8.278 8.693 1.00 0.00 O ATOM 1275 CB MET A 86 63.978 -5.287 7.476 1.00 0.00 C ATOM 1276 CG MET A 86 64.367 -4.217 8.497 1.00 0.00 C ATOM 1277 SD MET A 86 62.870 -3.526 9.245 1.00 0.00 S ATOM 1278 CE MET A 86 62.756 -4.680 10.633 1.00 0.00 C ATOM 0 H MET A 86 65.420 -5.712 5.613 1.00 0.00 H new ATOM 0 HA MET A 86 65.590 -6.386 8.450 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.983 -4.865 6.471 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.964 -5.638 7.669 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.006 -4.649 9.268 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.942 -3.428 8.012 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.723 -5.006 10.751 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.390 -5.546 10.440 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.087 -4.185 11.546 1.00 0.00 H new ATOM 1288 N LYS A 87 63.924 -8.367 6.499 1.00 0.00 N ATOM 1289 CA LYS A 87 63.200 -9.668 6.498 1.00 0.00 C ATOM 1290 C LYS A 87 63.879 -10.624 7.478 1.00 0.00 C ATOM 1291 O LYS A 87 63.257 -11.500 8.045 1.00 0.00 O ATOM 1292 CB LYS A 87 63.321 -10.182 5.063 1.00 0.00 C ATOM 1293 CG LYS A 87 62.011 -9.925 4.318 1.00 0.00 C ATOM 1294 CD LYS A 87 60.983 -10.988 4.710 1.00 0.00 C ATOM 1295 CE LYS A 87 60.017 -11.217 3.546 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.196 -12.391 3.955 1.00 0.00 N ATOM 0 H LYS A 87 64.160 -8.000 5.577 1.00 0.00 H new ATOM 0 HA LYS A 87 62.158 -9.577 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.145 -9.682 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.548 -11.248 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.632 -8.932 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.182 -9.949 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.487 -11.920 4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.433 -10.669 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 87 59.393 -10.340 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.555 -11.415 2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.508 -12.611 3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.816 -13.212 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 58.690 -12.171 4.837 1.00 0.00 H new ATOM 1310 N GLU A 88 65.154 -10.447 7.688 1.00 0.00 N ATOM 1311 CA GLU A 88 65.888 -11.326 8.640 1.00 0.00 C ATOM 1312 C GLU A 88 66.025 -10.620 9.992 1.00 0.00 C ATOM 1313 O GLU A 88 65.971 -11.238 11.037 1.00 0.00 O ATOM 1314 CB GLU A 88 67.262 -11.541 8.005 1.00 0.00 C ATOM 1315 CG GLU A 88 67.284 -12.885 7.274 1.00 0.00 C ATOM 1316 CD GLU A 88 66.506 -12.765 5.962 1.00 0.00 C ATOM 1317 OE1 GLU A 88 66.293 -11.647 5.522 1.00 0.00 O ATOM 1318 OE2 GLU A 88 66.137 -13.793 5.418 1.00 0.00 O ATOM 0 H GLU A 88 65.721 -9.728 7.239 1.00 0.00 H new ATOM 0 HA GLU A 88 65.374 -12.271 8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.482 -10.733 7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.036 -11.520 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.312 -13.185 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 88 66.843 -13.660 7.901 1.00 0.00 H new ATOM 1325 N ASP A 89 66.199 -9.325 9.976 1.00 0.00 N ATOM 1326 CA ASP A 89 66.336 -8.572 11.256 1.00 0.00 C ATOM 1327 C ASP A 89 64.964 -8.397 11.910 1.00 0.00 C ATOM 1328 O ASP A 89 64.846 -8.309 13.116 1.00 0.00 O ATOM 1329 CB ASP A 89 66.915 -7.215 10.856 1.00 0.00 C ATOM 1330 CG ASP A 89 67.630 -6.590 12.056 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.738 -7.010 12.344 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.056 -5.703 12.667 1.00 0.00 O ATOM 0 H ASP A 89 66.252 -8.756 9.131 1.00 0.00 H new ATOM 0 HA ASP A 89 66.970 -9.089 11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.612 -7.336 10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.119 -6.556 10.510 1.00 0.00 H new ATOM 1337 N ALA A 90 63.925 -8.346 11.121 1.00 0.00 N ATOM 1338 CA ALA A 90 62.560 -8.178 11.696 1.00 0.00 C ATOM 1339 C ALA A 90 62.045 -9.516 12.234 1.00 0.00 C ATOM 1340 O ALA A 90 61.644 -10.340 11.430 1.00 0.00 O ATOM 1341 CB ALA A 90 61.695 -7.702 10.528 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.061 -9.691 13.441 1.00 0.00 O ATOM 0 H ALA A 90 63.963 -8.413 10.104 1.00 0.00 H new ATOM 0 HA ALA A 90 62.546 -7.474 12.528 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.671 -7.554 10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.088 -6.761 10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.709 -8.451 9.736 1.00 0.00 H new