USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 616 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 1 MET CE :methyl 161:sc= -0.135 (180deg=-0.643) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.401 (180deg=-0.408) USER MOD Single : A 3 ASN : amide:sc=-0.00973 X(o=-0.0097,f=-0.0097) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl -139:sc= -0.823 (180deg=-3.81!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -118:sc= -1.72! (180deg=-6.1!) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -0.0641 (180deg=-0.283) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0668 F(o=-0.78,f=-0.067) USER MOD Single : A 51 THR OG1 : rot 84:sc= 0.596 USER MOD Single : A 52 GLN : amide:sc= -3.72! C(o=-3.7!,f=-9.4!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 150:sc= 0 (180deg=-0.667) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.175 -29.551 -0.331 1.00 0.00 N ATOM 2 CA MET A 1 -6.315 -28.182 0.236 1.00 0.00 C ATOM 3 C MET A 1 -5.263 -27.237 -0.325 1.00 0.00 C ATOM 4 O MET A 1 -5.416 -26.016 -0.273 1.00 0.00 O ATOM 5 CB MET A 1 -6.198 -28.263 1.761 1.00 0.00 C ATOM 6 CG MET A 1 -4.834 -28.722 2.248 1.00 0.00 C ATOM 7 SD MET A 1 -4.725 -28.804 4.046 1.00 0.00 S ATOM 8 CE MET A 1 -5.939 -30.073 4.402 1.00 0.00 C ATOM 0 H1 MET A 1 -6.928 -30.162 0.046 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.251 -29.507 -1.367 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.248 -29.942 -0.069 1.00 0.00 H new ATOM 0 HA MET A 1 -7.291 -27.784 -0.042 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.414 -27.282 2.185 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.957 -28.948 2.138 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.616 -29.705 1.830 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.071 -28.040 1.873 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.761 -30.477 5.399 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.939 -29.642 4.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.856 -30.873 3.666 1.00 0.00 H new ATOM 20 N GLU A 2 -4.204 -27.810 -0.869 1.00 0.00 N ATOM 21 CA GLU A 2 -3.126 -27.024 -1.452 1.00 0.00 C ATOM 22 C GLU A 2 -3.638 -26.197 -2.623 1.00 0.00 C ATOM 23 O GLU A 2 -3.431 -24.986 -2.679 1.00 0.00 O ATOM 24 CB GLU A 2 -1.987 -27.935 -1.913 1.00 0.00 C ATOM 25 CG GLU A 2 -1.351 -28.729 -0.785 1.00 0.00 C ATOM 26 CD GLU A 2 -0.205 -29.600 -1.261 1.00 0.00 C ATOM 27 OE1 GLU A 2 -0.441 -30.471 -2.125 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.928 -29.412 -0.772 1.00 0.00 O ATOM 0 H GLU A 2 -4.065 -28.819 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.747 -26.347 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.367 -28.627 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.221 -27.329 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.987 -28.041 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.108 -29.356 -0.315 1.00 0.00 H new ATOM 35 N ASN A 3 -4.308 -26.859 -3.558 1.00 0.00 N ATOM 36 CA ASN A 3 -4.851 -26.181 -4.727 1.00 0.00 C ATOM 37 C ASN A 3 -5.805 -25.070 -4.310 1.00 0.00 C ATOM 38 O ASN A 3 -5.735 -23.952 -4.819 1.00 0.00 O ATOM 39 CB ASN A 3 -5.570 -27.179 -5.636 1.00 0.00 C ATOM 40 CG ASN A 3 -4.643 -28.262 -6.153 1.00 0.00 C ATOM 41 OD1 ASN A 3 -3.649 -27.978 -6.821 1.00 0.00 O ATOM 42 ND2 ASN A 3 -4.965 -29.513 -5.846 1.00 0.00 N ATOM 0 H ASN A 3 -4.488 -27.863 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.023 -25.737 -5.279 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.392 -27.639 -5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.009 -26.647 -6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.379 -30.284 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.798 -29.703 -5.290 1.00 0.00 H new ATOM 49 N LEU A 4 -6.691 -25.388 -3.376 1.00 0.00 N ATOM 50 CA LEU A 4 -7.661 -24.420 -2.878 1.00 0.00 C ATOM 51 C LEU A 4 -6.972 -23.334 -2.069 1.00 0.00 C ATOM 52 O LEU A 4 -7.396 -22.180 -2.084 1.00 0.00 O ATOM 53 CB LEU A 4 -8.725 -25.118 -2.031 1.00 0.00 C ATOM 54 CG LEU A 4 -9.561 -26.159 -2.777 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.610 -26.763 -1.856 1.00 0.00 C ATOM 56 CD2 LEU A 4 -10.215 -25.535 -4.001 1.00 0.00 C ATOM 0 H LEU A 4 -6.759 -26.311 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.147 -23.953 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.236 -25.604 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.395 -24.362 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.900 -26.959 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.195 -27.501 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.118 -27.245 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.270 -25.976 -1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.806 -26.288 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.863 -24.716 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.444 -25.153 -4.670 1.00 0.00 H new ATOM 68 N ASN A 5 -5.903 -23.699 -1.374 1.00 0.00 N ATOM 69 CA ASN A 5 -5.164 -22.733 -0.574 1.00 0.00 C ATOM 70 C ASN A 5 -4.410 -21.763 -1.475 1.00 0.00 C ATOM 71 O ASN A 5 -4.174 -20.615 -1.101 1.00 0.00 O ATOM 72 CB ASN A 5 -4.196 -23.443 0.376 1.00 0.00 C ATOM 73 CG ASN A 5 -3.430 -22.474 1.255 1.00 0.00 C ATOM 74 OD1 ASN A 5 -4.021 -21.704 2.013 1.00 0.00 O ATOM 75 ND2 ASN A 5 -2.105 -22.508 1.161 1.00 0.00 N ATOM 0 H ASN A 5 -5.531 -24.648 -1.348 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.878 -22.168 0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.753 -24.137 1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.491 -24.036 -0.206 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.537 -21.880 1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.656 -23.162 0.520 1.00 0.00 H new ATOM 82 N MET A 6 -4.047 -22.225 -2.667 1.00 0.00 N ATOM 83 CA MET A 6 -3.339 -21.382 -3.620 1.00 0.00 C ATOM 84 C MET A 6 -4.326 -20.474 -4.352 1.00 0.00 C ATOM 85 O MET A 6 -4.164 -19.249 -4.374 1.00 0.00 O ATOM 86 CB MET A 6 -2.559 -22.239 -4.620 1.00 0.00 C ATOM 87 CG MET A 6 -1.498 -23.115 -3.974 1.00 0.00 C ATOM 88 SD MET A 6 -0.228 -22.164 -3.120 1.00 0.00 S ATOM 89 CE MET A 6 0.768 -23.484 -2.433 1.00 0.00 C ATOM 0 H MET A 6 -4.231 -23.174 -2.994 1.00 0.00 H new ATOM 0 HA MET A 6 -2.629 -20.761 -3.075 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.258 -22.873 -5.166 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.083 -21.586 -5.351 1.00 0.00 H new ATOM 0 HG2 MET A 6 -1.975 -23.792 -3.266 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.029 -23.733 -4.740 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.067 -23.224 -1.418 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.187 -24.406 -2.415 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.657 -23.627 -3.047 1.00 0.00 H new ATOM 99 N ASP A 7 -5.363 -21.078 -4.936 1.00 0.00 N ATOM 100 CA ASP A 7 -6.372 -20.311 -5.644 1.00 0.00 C ATOM 101 C ASP A 7 -7.109 -19.395 -4.676 1.00 0.00 C ATOM 102 O ASP A 7 -7.393 -18.243 -5.001 1.00 0.00 O ATOM 103 CB ASP A 7 -7.353 -21.227 -6.381 1.00 0.00 C ATOM 104 CG ASP A 7 -8.037 -22.227 -5.473 1.00 0.00 C ATOM 105 OD1 ASP A 7 -8.687 -21.801 -4.496 1.00 0.00 O ATOM 106 OD2 ASP A 7 -7.937 -23.440 -5.751 1.00 0.00 O ATOM 0 H ASP A 7 -5.519 -22.086 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.871 -19.698 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.110 -20.616 -6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.819 -21.764 -7.165 1.00 0.00 H new ATOM 111 N LEU A 8 -7.394 -19.894 -3.471 1.00 0.00 N ATOM 112 CA LEU A 8 -8.066 -19.073 -2.472 1.00 0.00 C ATOM 113 C LEU A 8 -7.175 -17.895 -2.104 1.00 0.00 C ATOM 114 O LEU A 8 -7.657 -16.828 -1.725 1.00 0.00 O ATOM 115 CB LEU A 8 -8.404 -19.882 -1.224 1.00 0.00 C ATOM 116 CG LEU A 8 -9.067 -19.084 -0.097 1.00 0.00 C ATOM 117 CD1 LEU A 8 -10.354 -18.432 -0.586 1.00 0.00 C ATOM 118 CD2 LEU A 8 -9.341 -19.983 1.103 1.00 0.00 C ATOM 0 H LEU A 8 -7.174 -20.844 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.002 -18.710 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.066 -20.700 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.488 -20.331 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.383 -18.295 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.810 -17.870 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.129 -17.756 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.046 -19.203 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.812 -19.400 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.005 -20.794 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.402 -20.398 1.468 1.00 0.00 H new ATOM 130 N LEU A 9 -5.866 -18.102 -2.234 1.00 0.00 N ATOM 131 CA LEU A 9 -4.891 -17.067 -1.933 1.00 0.00 C ATOM 132 C LEU A 9 -4.975 -15.952 -2.964 1.00 0.00 C ATOM 133 O LEU A 9 -5.357 -14.828 -2.642 1.00 0.00 O ATOM 134 CB LEU A 9 -3.483 -17.661 -1.915 1.00 0.00 C ATOM 135 CG LEU A 9 -2.386 -16.741 -1.377 1.00 0.00 C ATOM 136 CD1 LEU A 9 -2.224 -15.506 -2.247 1.00 0.00 C ATOM 137 CD2 LEU A 9 -2.676 -16.352 0.066 1.00 0.00 C ATOM 0 H LEU A 9 -5.459 -18.983 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.111 -16.653 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.499 -18.569 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.219 -17.956 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.445 -17.290 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.437 -14.873 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.957 -15.807 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.162 -14.951 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.885 -15.697 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.632 -15.830 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.719 -17.249 0.683 1.00 0.00 H new ATOM 149 N TYR A 10 -4.638 -16.267 -4.217 1.00 0.00 N ATOM 150 CA TYR A 10 -4.695 -15.262 -5.277 1.00 0.00 C ATOM 151 C TYR A 10 -6.061 -14.600 -5.273 1.00 0.00 C ATOM 152 O TYR A 10 -6.193 -13.395 -5.488 1.00 0.00 O ATOM 153 CB TYR A 10 -4.442 -15.883 -6.653 1.00 0.00 C ATOM 154 CG TYR A 10 -3.302 -16.874 -6.693 1.00 0.00 C ATOM 155 CD1 TYR A 10 -2.150 -16.674 -5.944 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.374 -18.002 -7.498 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.104 -17.574 -5.994 1.00 0.00 C ATOM 158 CE2 TYR A 10 -2.332 -18.907 -7.553 1.00 0.00 C ATOM 159 CZ TYR A 10 -1.199 -18.689 -6.800 1.00 0.00 C ATOM 160 OH TYR A 10 -0.158 -19.587 -6.851 1.00 0.00 O ATOM 0 H TYR A 10 -4.329 -17.191 -4.517 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.915 -14.525 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.352 -16.382 -6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.238 -15.084 -7.366 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.071 -15.801 -5.313 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.260 -18.175 -8.091 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.215 -17.405 -5.404 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.405 -19.781 -8.183 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.385 -20.316 -7.465 1.00 0.00 H new ATOM 170 N MET A 11 -7.074 -15.415 -5.009 1.00 0.00 N ATOM 171 CA MET A 11 -8.447 -14.950 -4.952 1.00 0.00 C ATOM 172 C MET A 11 -8.644 -14.084 -3.715 1.00 0.00 C ATOM 173 O MET A 11 -9.373 -13.092 -3.739 1.00 0.00 O ATOM 174 CB MET A 11 -9.382 -16.153 -4.936 1.00 0.00 C ATOM 175 CG MET A 11 -10.822 -15.810 -5.266 1.00 0.00 C ATOM 176 SD MET A 11 -11.675 -14.979 -3.915 1.00 0.00 S ATOM 177 CE MET A 11 -13.308 -14.771 -4.622 1.00 0.00 C ATOM 0 H MET A 11 -6.964 -16.413 -4.829 1.00 0.00 H new ATOM 0 HA MET A 11 -8.675 -14.344 -5.829 1.00 0.00 H new ATOM 0 HB2 MET A 11 -9.021 -16.892 -5.651 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.345 -16.618 -3.951 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.844 -15.172 -6.150 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.359 -16.724 -5.519 1.00 0.00 H new ATOM 0 HE1 MET A 11 -13.955 -14.269 -3.902 1.00 0.00 H new ATOM 0 HE2 MET A 11 -13.238 -14.170 -5.528 1.00 0.00 H new ATOM 0 HE3 MET A 11 -13.726 -15.748 -4.866 1.00 0.00 H new ATOM 187 N ALA A 12 -7.955 -14.457 -2.640 1.00 0.00 N ATOM 188 CA ALA A 12 -8.018 -13.705 -1.393 1.00 0.00 C ATOM 189 C ALA A 12 -7.420 -12.329 -1.594 1.00 0.00 C ATOM 190 O ALA A 12 -7.860 -11.367 -0.986 1.00 0.00 O ATOM 191 CB ALA A 12 -7.300 -14.449 -0.275 1.00 0.00 C ATOM 0 H ALA A 12 -7.347 -15.275 -2.609 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.062 -13.595 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.360 -13.869 0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.771 -15.420 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.254 -14.592 -0.546 1.00 0.00 H new ATOM 197 N ALA A 13 -6.432 -12.238 -2.475 1.00 0.00 N ATOM 198 CA ALA A 13 -5.803 -10.966 -2.779 1.00 0.00 C ATOM 199 C ALA A 13 -6.806 -10.066 -3.481 1.00 0.00 C ATOM 200 O ALA A 13 -6.826 -8.856 -3.271 1.00 0.00 O ATOM 201 CB ALA A 13 -4.573 -11.179 -3.646 1.00 0.00 C ATOM 0 H ALA A 13 -6.051 -13.032 -2.990 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.483 -10.488 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.112 -10.216 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.860 -11.811 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.864 -11.663 -4.578 1.00 0.00 H new ATOM 207 N ALA A 14 -7.659 -10.680 -4.299 1.00 0.00 N ATOM 208 CA ALA A 14 -8.691 -9.946 -5.010 1.00 0.00 C ATOM 209 C ALA A 14 -9.692 -9.389 -4.011 1.00 0.00 C ATOM 210 O ALA A 14 -9.967 -8.190 -3.992 1.00 0.00 O ATOM 211 CB ALA A 14 -9.389 -10.844 -6.023 1.00 0.00 C ATOM 0 H ALA A 14 -7.652 -11.683 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.231 -9.122 -5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.158 -10.275 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.660 -11.214 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.849 -11.687 -5.506 1.00 0.00 H new ATOM 217 N VAL A 15 -10.213 -10.270 -3.159 1.00 0.00 N ATOM 218 CA VAL A 15 -11.161 -9.866 -2.131 1.00 0.00 C ATOM 219 C VAL A 15 -10.503 -8.871 -1.186 1.00 0.00 C ATOM 220 O VAL A 15 -11.065 -7.830 -0.875 1.00 0.00 O ATOM 221 CB VAL A 15 -11.666 -11.072 -1.316 1.00 0.00 C ATOM 222 CG1 VAL A 15 -12.732 -10.642 -0.320 1.00 0.00 C ATOM 223 CG2 VAL A 15 -12.194 -12.155 -2.240 1.00 0.00 C ATOM 0 H VAL A 15 -9.993 -11.266 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.014 -9.407 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.827 -11.482 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -13.074 -11.510 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.313 -9.905 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.574 -10.202 -0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.546 -12.999 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.019 -11.758 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.397 -12.487 -2.905 1.00 0.00 H new ATOM 233 N MET A 16 -9.298 -9.206 -0.747 1.00 0.00 N ATOM 234 CA MET A 16 -8.535 -8.344 0.156 1.00 0.00 C ATOM 235 C MET A 16 -8.304 -6.971 -0.460 1.00 0.00 C ATOM 236 O MET A 16 -8.514 -5.944 0.186 1.00 0.00 O ATOM 237 CB MET A 16 -7.192 -8.995 0.508 1.00 0.00 C ATOM 238 CG MET A 16 -7.213 -9.774 1.814 1.00 0.00 C ATOM 239 SD MET A 16 -8.462 -11.075 1.834 1.00 0.00 S ATOM 240 CE MET A 16 -8.232 -11.736 3.483 1.00 0.00 C ATOM 0 H MET A 16 -8.823 -10.072 -1.001 1.00 0.00 H new ATOM 0 HA MET A 16 -9.118 -8.215 1.068 1.00 0.00 H new ATOM 0 HB2 MET A 16 -6.901 -9.666 -0.300 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.428 -8.220 0.570 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.231 -10.217 1.983 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.399 -9.086 2.639 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.935 -12.552 3.649 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.213 -12.108 3.587 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.408 -10.950 4.218 1.00 0.00 H new ATOM 250 N MET A 17 -7.872 -6.964 -1.709 1.00 0.00 N ATOM 251 CA MET A 17 -7.613 -5.718 -2.420 1.00 0.00 C ATOM 252 C MET A 17 -8.914 -4.966 -2.675 1.00 0.00 C ATOM 253 O MET A 17 -8.961 -3.739 -2.591 1.00 0.00 O ATOM 254 CB MET A 17 -6.898 -5.993 -3.745 1.00 0.00 C ATOM 255 CG MET A 17 -5.437 -6.384 -3.582 1.00 0.00 C ATOM 256 SD MET A 17 -4.425 -5.027 -2.960 1.00 0.00 S ATOM 257 CE MET A 17 -2.792 -5.759 -3.024 1.00 0.00 C ATOM 0 H MET A 17 -7.692 -7.807 -2.255 1.00 0.00 H new ATOM 0 HA MET A 17 -6.968 -5.099 -1.796 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.422 -6.791 -4.272 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.959 -5.104 -4.372 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.365 -7.230 -2.899 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.044 -6.716 -4.543 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.376 -5.809 -2.018 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.860 -6.765 -3.439 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.145 -5.150 -3.655 1.00 0.00 H new ATOM 267 N GLY A 18 -9.973 -5.712 -2.976 1.00 0.00 N ATOM 268 CA GLY A 18 -11.260 -5.098 -3.231 1.00 0.00 C ATOM 269 C GLY A 18 -11.869 -4.512 -1.975 1.00 0.00 C ATOM 270 O GLY A 18 -12.234 -3.341 -1.945 1.00 0.00 O ATOM 0 H GLY A 18 -9.961 -6.729 -3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.145 -4.313 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.939 -5.840 -3.650 1.00 0.00 H new ATOM 274 N LEU A 19 -11.972 -5.333 -0.936 1.00 0.00 N ATOM 275 CA LEU A 19 -12.533 -4.900 0.337 1.00 0.00 C ATOM 276 C LEU A 19 -11.708 -3.753 0.899 1.00 0.00 C ATOM 277 O LEU A 19 -12.249 -2.753 1.387 1.00 0.00 O ATOM 278 CB LEU A 19 -12.568 -6.077 1.318 1.00 0.00 C ATOM 279 CG LEU A 19 -11.206 -6.579 1.802 1.00 0.00 C ATOM 280 CD1 LEU A 19 -10.719 -5.763 2.992 1.00 0.00 C ATOM 281 CD2 LEU A 19 -11.287 -8.056 2.160 1.00 0.00 C ATOM 0 H LEU A 19 -11.672 -6.308 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.554 -4.549 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.156 -5.784 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.092 -6.906 0.843 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.486 -6.456 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.749 -6.139 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.624 -4.717 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.435 -5.849 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.312 -8.401 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.022 -8.199 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.586 -8.628 1.281 1.00 0.00 H new ATOM 293 N ALA A 20 -10.392 -3.891 0.798 1.00 0.00 N ATOM 294 CA ALA A 20 -9.485 -2.860 1.262 1.00 0.00 C ATOM 295 C ALA A 20 -9.624 -1.634 0.379 1.00 0.00 C ATOM 296 O ALA A 20 -9.472 -0.503 0.835 1.00 0.00 O ATOM 297 CB ALA A 20 -8.051 -3.368 1.257 1.00 0.00 C ATOM 0 H ALA A 20 -9.933 -4.709 0.398 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.740 -2.591 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.385 -2.580 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.969 -4.233 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.770 -3.655 0.244 1.00 0.00 H new ATOM 303 N ALA A 21 -9.936 -1.873 -0.894 1.00 0.00 N ATOM 304 CA ALA A 21 -10.121 -0.793 -1.849 1.00 0.00 C ATOM 305 C ALA A 21 -11.367 0.001 -1.506 1.00 0.00 C ATOM 306 O ALA A 21 -11.376 1.229 -1.576 1.00 0.00 O ATOM 307 CB ALA A 21 -10.204 -1.341 -3.267 1.00 0.00 C ATOM 0 H ALA A 21 -10.065 -2.807 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.260 -0.127 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.343 -0.518 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.282 -1.871 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.047 -2.028 -3.343 1.00 0.00 H new ATOM 313 N ILE A 22 -12.409 -0.712 -1.105 1.00 0.00 N ATOM 314 CA ILE A 22 -13.661 -0.076 -0.719 1.00 0.00 C ATOM 315 C ILE A 22 -13.435 0.790 0.511 1.00 0.00 C ATOM 316 O ILE A 22 -13.608 2.007 0.466 1.00 0.00 O ATOM 317 CB ILE A 22 -14.767 -1.104 -0.414 1.00 0.00 C ATOM 318 CG1 ILE A 22 -14.948 -2.065 -1.587 1.00 0.00 C ATOM 319 CG2 ILE A 22 -16.080 -0.398 -0.101 1.00 0.00 C ATOM 320 CD1 ILE A 22 -15.353 -1.384 -2.877 1.00 0.00 C ATOM 0 H ILE A 22 -12.413 -1.730 -1.038 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.991 0.532 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.465 -1.681 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.015 -2.605 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.704 -2.805 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.850 -1.139 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.948 0.248 0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.383 0.204 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -15.462 -2.130 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -16.302 -0.867 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -14.587 -0.664 -3.164 1.00 0.00 H new ATOM 332 N GLY A 23 -13.025 0.156 1.609 1.00 0.00 N ATOM 333 CA GLY A 23 -12.765 0.899 2.829 1.00 0.00 C ATOM 334 C GLY A 23 -11.771 2.017 2.597 1.00 0.00 C ATOM 335 O GLY A 23 -12.011 3.168 2.970 1.00 0.00 O ATOM 0 H GLY A 23 -12.870 -0.850 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.698 1.314 3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.382 0.223 3.593 1.00 0.00 H new ATOM 339 N ALA A 24 -10.653 1.674 1.962 1.00 0.00 N ATOM 340 CA ALA A 24 -9.617 2.647 1.656 1.00 0.00 C ATOM 341 C ALA A 24 -10.175 3.772 0.799 1.00 0.00 C ATOM 342 O ALA A 24 -9.868 4.936 1.019 1.00 0.00 O ATOM 343 CB ALA A 24 -8.453 1.978 0.944 1.00 0.00 C ATOM 0 H ALA A 24 -10.444 0.726 1.650 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.259 3.069 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.687 2.721 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.032 1.202 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.804 1.530 0.014 1.00 0.00 H new ATOM 349 N ALA A 25 -10.995 3.412 -0.181 1.00 0.00 N ATOM 350 CA ALA A 25 -11.594 4.394 -1.078 1.00 0.00 C ATOM 351 C ALA A 25 -12.438 5.405 -0.311 1.00 0.00 C ATOM 352 O ALA A 25 -12.153 6.601 -0.321 1.00 0.00 O ATOM 353 CB ALA A 25 -12.436 3.698 -2.137 1.00 0.00 C ATOM 0 H ALA A 25 -11.261 2.447 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.785 4.936 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.877 4.443 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.806 3.024 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.229 3.127 -1.654 1.00 0.00 H new ATOM 359 N ILE A 26 -13.477 4.925 0.359 1.00 0.00 N ATOM 360 CA ILE A 26 -14.349 5.806 1.124 1.00 0.00 C ATOM 361 C ILE A 26 -13.544 6.700 2.067 1.00 0.00 C ATOM 362 O ILE A 26 -13.705 7.920 2.057 1.00 0.00 O ATOM 363 CB ILE A 26 -15.418 5.013 1.909 1.00 0.00 C ATOM 364 CG1 ILE A 26 -16.495 4.504 0.949 1.00 0.00 C ATOM 365 CG2 ILE A 26 -16.061 5.859 3.007 1.00 0.00 C ATOM 366 CD1 ILE A 26 -16.033 3.406 0.016 1.00 0.00 C ATOM 0 H ILE A 26 -13.735 3.939 0.389 1.00 0.00 H new ATOM 0 HA ILE A 26 -14.867 6.443 0.407 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.921 4.170 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -17.340 4.137 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.858 5.341 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -16.807 5.264 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.295 6.187 3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.541 6.730 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.859 3.105 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -15.209 3.772 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -15.698 2.549 0.600 1.00 0.00 H new ATOM 378 N GLY A 27 -12.683 6.098 2.883 1.00 0.00 N ATOM 379 CA GLY A 27 -11.891 6.882 3.817 1.00 0.00 C ATOM 380 C GLY A 27 -10.851 7.750 3.138 1.00 0.00 C ATOM 381 O GLY A 27 -10.565 8.852 3.605 1.00 0.00 O ATOM 0 H GLY A 27 -12.520 5.092 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.556 7.515 4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.393 6.209 4.515 1.00 0.00 H new ATOM 385 N ILE A 28 -10.281 7.274 2.029 1.00 0.00 N ATOM 386 CA ILE A 28 -9.280 8.062 1.319 1.00 0.00 C ATOM 387 C ILE A 28 -9.906 9.389 0.957 1.00 0.00 C ATOM 388 O ILE A 28 -9.327 10.451 1.167 1.00 0.00 O ATOM 389 CB ILE A 28 -8.746 7.356 0.046 1.00 0.00 C ATOM 390 CG1 ILE A 28 -7.320 7.821 -0.252 1.00 0.00 C ATOM 391 CG2 ILE A 28 -9.638 7.608 -1.163 1.00 0.00 C ATOM 392 CD1 ILE A 28 -6.357 7.568 0.886 1.00 0.00 C ATOM 0 H ILE A 28 -10.491 6.367 1.613 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.418 8.196 1.973 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.749 6.283 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.958 7.311 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.333 8.887 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.226 7.095 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.641 7.231 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.686 8.678 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.364 7.922 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.696 8.100 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.316 6.499 1.097 1.00 0.00 H new ATOM 404 N GLY A 29 -11.126 9.299 0.458 1.00 0.00 N ATOM 405 CA GLY A 29 -11.874 10.487 0.110 1.00 0.00 C ATOM 406 C GLY A 29 -12.204 11.301 1.345 1.00 0.00 C ATOM 407 O GLY A 29 -12.122 12.529 1.328 1.00 0.00 O ATOM 0 H GLY A 29 -11.615 8.420 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.296 11.094 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.795 10.205 -0.401 1.00 0.00 H new ATOM 411 N ILE A 30 -12.564 10.608 2.429 1.00 0.00 N ATOM 412 CA ILE A 30 -12.891 11.273 3.689 1.00 0.00 C ATOM 413 C ILE A 30 -11.740 12.177 4.134 1.00 0.00 C ATOM 414 O ILE A 30 -11.842 13.403 4.082 1.00 0.00 O ATOM 415 CB ILE A 30 -13.204 10.242 4.801 1.00 0.00 C ATOM 416 CG1 ILE A 30 -14.456 9.442 4.443 1.00 0.00 C ATOM 417 CG2 ILE A 30 -13.390 10.936 6.146 1.00 0.00 C ATOM 418 CD1 ILE A 30 -15.722 10.272 4.390 1.00 0.00 C ATOM 0 H ILE A 30 -12.636 9.591 2.458 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.780 11.881 3.520 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.359 9.559 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.306 8.965 3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.587 8.644 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.609 10.192 6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.477 11.470 6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.217 11.643 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.566 9.633 4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.899 10.728 5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -15.614 11.053 3.638 1.00 0.00 H new ATOM 430 N LEU A 31 -10.644 11.558 4.558 1.00 0.00 N ATOM 431 CA LEU A 31 -9.461 12.288 5.004 1.00 0.00 C ATOM 432 C LEU A 31 -8.811 12.999 3.822 1.00 0.00 C ATOM 433 O LEU A 31 -8.147 14.022 3.984 1.00 0.00 O ATOM 434 CB LEU A 31 -8.478 11.304 5.652 1.00 0.00 C ATOM 435 CG LEU A 31 -7.318 11.922 6.443 1.00 0.00 C ATOM 436 CD1 LEU A 31 -6.775 10.917 7.452 1.00 0.00 C ATOM 437 CD2 LEU A 31 -6.202 12.373 5.512 1.00 0.00 C ATOM 0 H LEU A 31 -10.549 10.543 4.603 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.747 13.041 5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.039 10.651 6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.059 10.673 4.868 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.698 12.795 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.952 11.367 8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.567 10.632 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.417 10.032 6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.392 12.807 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.826 11.516 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.587 13.119 4.817 1.00 0.00 H new ATOM 449 N GLY A 32 -9.013 12.447 2.629 1.00 0.00 N ATOM 450 CA GLY A 32 -8.446 13.037 1.430 1.00 0.00 C ATOM 451 C GLY A 32 -8.911 14.461 1.217 1.00 0.00 C ATOM 452 O GLY A 32 -8.110 15.336 0.908 1.00 0.00 O ATOM 0 H GLY A 32 -9.560 11.601 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.358 13.018 1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.722 12.434 0.565 1.00 0.00 H new ATOM 456 N GLY A 33 -10.209 14.695 1.386 1.00 0.00 N ATOM 457 CA GLY A 33 -10.745 16.033 1.209 1.00 0.00 C ATOM 458 C GLY A 33 -10.150 17.019 2.193 1.00 0.00 C ATOM 459 O GLY A 33 -9.647 18.070 1.802 1.00 0.00 O ATOM 0 H GLY A 33 -10.896 13.986 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.546 16.371 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.828 16.008 1.331 1.00 0.00 H new ATOM 463 N LYS A 34 -10.206 16.671 3.475 1.00 0.00 N ATOM 464 CA LYS A 34 -9.669 17.521 4.533 1.00 0.00 C ATOM 465 C LYS A 34 -8.168 17.750 4.348 1.00 0.00 C ATOM 466 O LYS A 34 -7.688 18.889 4.359 1.00 0.00 O ATOM 467 CB LYS A 34 -9.944 16.880 5.901 1.00 0.00 C ATOM 468 CG LYS A 34 -9.369 15.483 6.059 1.00 0.00 C ATOM 469 CD LYS A 34 -9.728 14.887 7.410 1.00 0.00 C ATOM 470 CE LYS A 34 -9.136 15.700 8.551 1.00 0.00 C ATOM 471 NZ LYS A 34 -7.651 15.785 8.461 1.00 0.00 N ATOM 0 H LYS A 34 -10.621 15.801 3.808 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.164 18.491 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.531 17.521 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.021 16.838 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.746 14.840 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.285 15.519 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.812 14.846 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.364 13.861 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.559 16.705 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.417 15.248 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.271 16.166 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.258 14.836 8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.386 16.412 7.675 1.00 0.00 H new ATOM 485 N PHE A 35 -7.438 16.654 4.175 1.00 0.00 N ATOM 486 CA PHE A 35 -5.991 16.699 3.998 1.00 0.00 C ATOM 487 C PHE A 35 -5.629 17.450 2.733 1.00 0.00 C ATOM 488 O PHE A 35 -4.774 18.333 2.737 1.00 0.00 O ATOM 489 CB PHE A 35 -5.447 15.276 3.922 1.00 0.00 C ATOM 490 CG PHE A 35 -3.956 15.184 4.078 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.324 15.745 5.175 1.00 0.00 C ATOM 492 CD2 PHE A 35 -3.188 14.545 3.122 1.00 0.00 C ATOM 493 CE1 PHE A 35 -1.953 15.672 5.311 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.817 14.467 3.256 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.199 15.032 4.350 1.00 0.00 C ATOM 0 H PHE A 35 -7.830 15.713 4.153 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.550 17.220 4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.921 14.675 4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.730 14.840 2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.910 16.245 5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.667 14.102 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.471 16.116 6.169 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.228 13.963 2.504 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.126 14.974 4.455 1.00 0.00 H new ATOM 505 N LEU A 36 -6.288 17.082 1.649 1.00 0.00 N ATOM 506 CA LEU A 36 -6.049 17.717 0.361 1.00 0.00 C ATOM 507 C LEU A 36 -6.469 19.179 0.413 1.00 0.00 C ATOM 508 O LEU A 36 -5.822 20.042 -0.177 1.00 0.00 O ATOM 509 CB LEU A 36 -6.808 16.990 -0.752 1.00 0.00 C ATOM 510 CG LEU A 36 -6.609 17.557 -2.160 1.00 0.00 C ATOM 511 CD1 LEU A 36 -5.138 17.542 -2.548 1.00 0.00 C ATOM 512 CD2 LEU A 36 -7.435 16.770 -3.166 1.00 0.00 C ATOM 0 H LEU A 36 -6.994 16.346 1.633 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.983 17.661 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.503 15.944 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.872 17.011 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.948 18.593 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.022 17.950 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.569 18.148 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.767 16.517 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.284 17.183 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.123 15.726 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.490 16.836 -2.901 1.00 0.00 H new ATOM 524 N GLU A 37 -7.547 19.455 1.143 1.00 0.00 N ATOM 525 CA GLU A 37 -8.042 20.820 1.285 1.00 0.00 C ATOM 526 C GLU A 37 -6.955 21.712 1.873 1.00 0.00 C ATOM 527 O GLU A 37 -6.486 22.647 1.222 1.00 0.00 O ATOM 528 CB GLU A 37 -9.288 20.852 2.175 1.00 0.00 C ATOM 529 CG GLU A 37 -9.854 22.250 2.377 1.00 0.00 C ATOM 530 CD GLU A 37 -11.084 22.261 3.266 1.00 0.00 C ATOM 531 OE1 GLU A 37 -11.503 21.174 3.717 1.00 0.00 O ATOM 532 OE2 GLU A 37 -11.629 23.359 3.509 1.00 0.00 O ATOM 0 H GLU A 37 -8.092 18.753 1.644 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.313 21.194 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.057 20.218 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.042 20.424 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.087 22.888 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.108 22.678 1.407 1.00 0.00 H new ATOM 539 N GLY A 38 -6.543 21.408 3.101 1.00 0.00 N ATOM 540 CA GLY A 38 -5.499 22.194 3.737 1.00 0.00 C ATOM 541 C GLY A 38 -4.184 22.083 2.989 1.00 0.00 C ATOM 542 O GLY A 38 -3.541 23.092 2.671 1.00 0.00 O ATOM 0 H GLY A 38 -6.909 20.639 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.806 23.239 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.364 21.857 4.765 1.00 0.00 H new ATOM 546 N ALA A 39 -3.787 20.848 2.696 1.00 0.00 N ATOM 547 CA ALA A 39 -2.551 20.597 1.971 1.00 0.00 C ATOM 548 C ALA A 39 -2.526 21.383 0.672 1.00 0.00 C ATOM 549 O ALA A 39 -1.488 21.905 0.277 1.00 0.00 O ATOM 550 CB ALA A 39 -2.393 19.115 1.690 1.00 0.00 C ATOM 0 H ALA A 39 -4.305 20.007 2.951 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.717 20.925 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.463 18.945 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.369 18.567 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.233 18.767 1.089 1.00 0.00 H new ATOM 556 N ALA A 40 -3.681 21.483 0.024 1.00 0.00 N ATOM 557 CA ALA A 40 -3.781 22.225 -1.222 1.00 0.00 C ATOM 558 C ALA A 40 -3.926 23.711 -0.949 1.00 0.00 C ATOM 559 O ALA A 40 -3.578 24.540 -1.790 1.00 0.00 O ATOM 560 CB ALA A 40 -4.920 21.702 -2.074 1.00 0.00 C ATOM 0 H ALA A 40 -4.555 21.062 0.340 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.859 22.079 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.974 22.274 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.748 20.651 -2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.859 21.805 -1.529 1.00 0.00 H new ATOM 566 N ARG A 41 -4.395 24.054 0.250 1.00 0.00 N ATOM 567 CA ARG A 41 -4.510 25.453 0.622 1.00 0.00 C ATOM 568 C ARG A 41 -3.109 26.033 0.677 1.00 0.00 C ATOM 569 O ARG A 41 -2.875 27.193 0.337 1.00 0.00 O ATOM 570 CB ARG A 41 -5.208 25.615 1.974 1.00 0.00 C ATOM 571 CG ARG A 41 -5.380 27.066 2.393 1.00 0.00 C ATOM 572 CD ARG A 41 -6.002 27.178 3.776 1.00 0.00 C ATOM 573 NE ARG A 41 -6.138 28.569 4.203 1.00 0.00 N ATOM 574 CZ ARG A 41 -5.106 29.375 4.449 1.00 0.00 C ATOM 575 NH1 ARG A 41 -3.862 28.921 4.363 1.00 0.00 N ATOM 576 NH2 ARG A 41 -5.322 30.636 4.796 1.00 0.00 N ATOM 0 H ARG A 41 -4.695 23.392 0.965 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.116 25.980 -0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.187 25.139 1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.633 25.090 2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.411 27.564 2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.008 27.583 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.983 26.702 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.388 26.636 4.495 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.079 28.945 4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.691 27.949 4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.077 29.544 4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.276 30.987 4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.534 31.255 4.985 1.00 0.00 H new ATOM 590 N GLN A 42 -2.178 25.182 1.093 1.00 0.00 N ATOM 591 CA GLN A 42 -0.781 25.535 1.183 1.00 0.00 C ATOM 592 C GLN A 42 -0.253 25.992 -0.168 1.00 0.00 C ATOM 593 O GLN A 42 -0.323 25.263 -1.158 1.00 0.00 O ATOM 594 CB GLN A 42 0.039 24.340 1.658 1.00 0.00 C ATOM 595 CG GLN A 42 -0.120 24.026 3.136 1.00 0.00 C ATOM 596 CD GLN A 42 0.732 22.851 3.578 1.00 0.00 C ATOM 597 OE1 GLN A 42 0.085 21.797 4.062 1.00 0.00 O flip ATOM 598 NE2 GLN A 42 1.960 22.892 3.490 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.381 24.224 1.377 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.688 26.351 1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.248 23.463 1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.092 24.530 1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.149 24.905 3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.167 23.810 3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.417 23.722 3.112 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.520 22.096 3.795 1.00 0.00 H new ATOM 607 N PRO A 43 0.296 27.205 -0.219 1.00 0.00 N ATOM 608 CA PRO A 43 0.858 27.768 -1.447 1.00 0.00 C ATOM 609 C PRO A 43 2.021 26.940 -2.000 1.00 0.00 C ATOM 610 O PRO A 43 2.620 27.304 -3.012 1.00 0.00 O ATOM 611 CB PRO A 43 1.343 29.162 -1.031 1.00 0.00 C ATOM 612 CG PRO A 43 1.392 29.153 0.462 1.00 0.00 C ATOM 613 CD PRO A 43 0.409 28.115 0.925 1.00 0.00 C ATOM 0 HA PRO A 43 0.119 27.786 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.326 29.375 -1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.666 29.935 -1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.396 28.918 0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 43 1.135 30.134 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.765 27.596 1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.553 28.560 1.179 1.00 0.00 H new ATOM 621 N ASP A 44 2.343 25.826 -1.336 1.00 0.00 N ATOM 622 CA ASP A 44 3.431 24.960 -1.772 1.00 0.00 C ATOM 623 C ASP A 44 2.961 23.508 -1.835 1.00 0.00 C ATOM 624 O ASP A 44 3.723 22.588 -1.558 1.00 0.00 O ATOM 625 CB ASP A 44 4.624 25.086 -0.820 1.00 0.00 C ATOM 626 CG ASP A 44 5.910 24.539 -1.417 1.00 0.00 C ATOM 627 OD1 ASP A 44 5.926 23.359 -1.820 1.00 0.00 O ATOM 628 OD2 ASP A 44 6.901 25.297 -1.482 1.00 0.00 O ATOM 0 H ASP A 44 1.863 25.507 -0.495 1.00 0.00 H new ATOM 0 HA ASP A 44 3.743 25.271 -2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.766 26.135 -0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.403 24.555 0.106 1.00 0.00 H new ATOM 633 N LEU A 45 1.697 23.314 -2.195 1.00 0.00 N ATOM 634 CA LEU A 45 1.116 21.973 -2.299 1.00 0.00 C ATOM 635 C LEU A 45 1.718 21.192 -3.460 1.00 0.00 C ATOM 636 O LEU A 45 1.832 19.970 -3.398 1.00 0.00 O ATOM 637 CB LEU A 45 -0.404 22.069 -2.497 1.00 0.00 C ATOM 638 CG LEU A 45 -1.148 20.733 -2.676 1.00 0.00 C ATOM 639 CD1 LEU A 45 -0.821 20.089 -4.017 1.00 0.00 C ATOM 640 CD2 LEU A 45 -0.829 19.783 -1.529 1.00 0.00 C ATOM 0 H LEU A 45 1.050 24.069 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 45 1.340 21.447 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.830 22.587 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.598 22.690 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.217 20.944 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.363 19.148 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.116 20.759 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.250 19.898 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.364 18.845 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.243 19.589 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.137 20.235 -0.586 1.00 0.00 H new ATOM 652 N ILE A 46 2.053 21.905 -4.534 1.00 0.00 N ATOM 653 CA ILE A 46 2.596 21.286 -5.751 1.00 0.00 C ATOM 654 C ILE A 46 3.397 20.007 -5.469 1.00 0.00 C ATOM 655 O ILE A 46 3.052 18.946 -5.986 1.00 0.00 O ATOM 656 CB ILE A 46 3.451 22.266 -6.586 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.671 23.550 -6.898 1.00 0.00 C ATOM 658 CG2 ILE A 46 3.908 21.610 -7.881 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.708 24.580 -5.788 1.00 0.00 C ATOM 0 H ILE A 46 1.959 22.919 -4.590 1.00 0.00 H new ATOM 0 HA ILE A 46 1.719 21.010 -6.337 1.00 0.00 H new ATOM 0 HB ILE A 46 4.328 22.529 -5.994 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.075 23.996 -7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.633 23.291 -7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.508 22.316 -8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.506 20.728 -7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.037 21.315 -8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.134 25.457 -6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.276 24.154 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.741 24.871 -5.596 1.00 0.00 H new ATOM 671 N PRO A 47 4.469 20.057 -4.655 1.00 0.00 N ATOM 672 CA PRO A 47 5.246 18.861 -4.354 1.00 0.00 C ATOM 673 C PRO A 47 4.536 17.997 -3.329 1.00 0.00 C ATOM 674 O PRO A 47 4.689 16.773 -3.312 1.00 0.00 O ATOM 675 CB PRO A 47 6.551 19.418 -3.797 1.00 0.00 C ATOM 676 CG PRO A 47 6.156 20.703 -3.157 1.00 0.00 C ATOM 677 CD PRO A 47 5.006 21.245 -3.970 1.00 0.00 C ATOM 0 HA PRO A 47 5.397 18.220 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.000 18.735 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.286 19.576 -4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.859 20.546 -2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.990 21.405 -3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.254 21.715 -3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.340 22.000 -4.682 1.00 0.00 H new ATOM 685 N LEU A 48 3.731 18.639 -2.490 1.00 0.00 N ATOM 686 CA LEU A 48 2.965 17.917 -1.495 1.00 0.00 C ATOM 687 C LEU A 48 1.941 17.048 -2.212 1.00 0.00 C ATOM 688 O LEU A 48 1.457 16.061 -1.666 1.00 0.00 O ATOM 689 CB LEU A 48 2.263 18.881 -0.533 1.00 0.00 C ATOM 690 CG LEU A 48 1.582 18.209 0.662 1.00 0.00 C ATOM 691 CD1 LEU A 48 2.561 17.300 1.391 1.00 0.00 C ATOM 692 CD2 LEU A 48 1.022 19.253 1.614 1.00 0.00 C ATOM 0 H LEU A 48 3.596 19.650 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 48 3.637 17.295 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.995 19.598 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.516 19.447 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 48 0.756 17.603 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.060 16.830 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.919 16.529 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.406 17.888 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.542 18.756 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.832 19.885 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.290 19.868 1.090 1.00 0.00 H new ATOM 704 N LEU A 49 1.638 17.431 -3.457 1.00 0.00 N ATOM 705 CA LEU A 49 0.694 16.715 -4.295 1.00 0.00 C ATOM 706 C LEU A 49 1.115 15.251 -4.445 1.00 0.00 C ATOM 707 O LEU A 49 0.361 14.335 -4.103 1.00 0.00 O ATOM 708 CB LEU A 49 0.605 17.444 -5.651 1.00 0.00 C ATOM 709 CG LEU A 49 1.061 16.672 -6.892 1.00 0.00 C ATOM 710 CD1 LEU A 49 0.118 15.516 -7.198 1.00 0.00 C ATOM 711 CD2 LEU A 49 1.157 17.607 -8.089 1.00 0.00 C ATOM 0 H LEU A 49 2.047 18.251 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.296 16.704 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.431 17.748 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.198 18.356 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 49 2.048 16.257 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.467 14.986 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.096 14.831 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.885 15.903 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.482 17.045 -8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.180 18.050 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.877 18.397 -7.877 1.00 0.00 H new ATOM 723 N ARG A 50 2.331 15.034 -4.934 1.00 0.00 N ATOM 724 CA ARG A 50 2.851 13.694 -5.109 1.00 0.00 C ATOM 725 C ARG A 50 3.254 13.110 -3.768 1.00 0.00 C ATOM 726 O ARG A 50 3.126 11.905 -3.532 1.00 0.00 O ATOM 727 CB ARG A 50 4.050 13.719 -6.051 1.00 0.00 C ATOM 728 CG ARG A 50 3.681 13.967 -7.502 1.00 0.00 C ATOM 729 CD ARG A 50 4.907 13.919 -8.400 1.00 0.00 C ATOM 730 NE ARG A 50 5.619 12.647 -8.288 1.00 0.00 N ATOM 731 CZ ARG A 50 5.119 11.476 -8.680 1.00 0.00 C ATOM 732 NH1 ARG A 50 3.930 11.416 -9.266 1.00 0.00 N ATOM 733 NH2 ARG A 50 5.817 10.364 -8.498 1.00 0.00 N ATOM 0 H ARG A 50 2.973 15.775 -5.215 1.00 0.00 H new ATOM 0 HA ARG A 50 2.072 13.068 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.742 14.495 -5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.579 12.769 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.959 13.219 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.197 14.939 -7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.604 14.075 -9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.580 14.735 -8.138 1.00 0.00 H new ATOM 0 HE ARG A 50 6.556 12.657 -7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.393 12.270 -9.419 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.553 10.516 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.736 10.405 -8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.435 9.467 -8.798 1.00 0.00 H new ATOM 747 N THR A 51 3.758 13.974 -2.892 1.00 0.00 N ATOM 748 CA THR A 51 4.183 13.540 -1.576 1.00 0.00 C ATOM 749 C THR A 51 2.993 13.037 -0.772 1.00 0.00 C ATOM 750 O THR A 51 3.123 12.109 0.022 1.00 0.00 O ATOM 751 CB THR A 51 4.904 14.667 -0.834 1.00 0.00 C ATOM 752 OG1 THR A 51 6.099 15.018 -1.508 1.00 0.00 O ATOM 753 CG2 THR A 51 5.272 14.319 0.594 1.00 0.00 C ATOM 0 H THR A 51 3.879 14.971 -3.072 1.00 0.00 H new ATOM 0 HA THR A 51 4.887 12.717 -1.699 1.00 0.00 H new ATOM 0 HB THR A 51 4.195 15.495 -0.813 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.895 15.652 -2.227 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.780 15.166 1.056 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.368 14.087 1.157 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.934 13.453 0.598 1.00 0.00 H new ATOM 761 N GLN A 52 1.831 13.641 -0.997 1.00 0.00 N ATOM 762 CA GLN A 52 0.622 13.227 -0.300 1.00 0.00 C ATOM 763 C GLN A 52 0.036 12.009 -0.992 1.00 0.00 C ATOM 764 O GLN A 52 -0.496 11.104 -0.349 1.00 0.00 O ATOM 765 CB GLN A 52 -0.419 14.353 -0.273 1.00 0.00 C ATOM 766 CG GLN A 52 -1.003 14.681 -1.642 1.00 0.00 C ATOM 767 CD GLN A 52 -2.186 15.642 -1.593 1.00 0.00 C ATOM 768 OE1 GLN A 52 -2.785 15.944 -2.626 1.00 0.00 O ATOM 769 NE2 GLN A 52 -2.531 16.133 -0.404 1.00 0.00 N ATOM 0 H GLN A 52 1.702 14.413 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 52 0.885 12.984 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.229 14.071 0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.041 15.251 0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.221 15.114 -2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.319 13.755 -2.123 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.012 15.860 0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.314 16.782 -0.328 1.00 0.00 H new ATOM 778 N PHE A 53 0.138 12.001 -2.315 1.00 0.00 N ATOM 779 CA PHE A 53 -0.377 10.904 -3.116 1.00 0.00 C ATOM 780 C PHE A 53 0.218 9.578 -2.659 1.00 0.00 C ATOM 781 O PHE A 53 -0.515 8.645 -2.328 1.00 0.00 O ATOM 782 CB PHE A 53 -0.063 11.142 -4.595 1.00 0.00 C ATOM 783 CG PHE A 53 -0.671 10.122 -5.514 1.00 0.00 C ATOM 784 CD1 PHE A 53 -0.183 8.826 -5.557 1.00 0.00 C ATOM 785 CD2 PHE A 53 -1.740 10.459 -6.327 1.00 0.00 C ATOM 786 CE1 PHE A 53 -0.752 7.886 -6.395 1.00 0.00 C ATOM 787 CE2 PHE A 53 -2.311 9.524 -7.168 1.00 0.00 C ATOM 788 CZ PHE A 53 -1.817 8.235 -7.202 1.00 0.00 C ATOM 0 H PHE A 53 0.575 12.747 -2.856 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.458 10.858 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.421 12.132 -4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.018 11.142 -4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.651 8.548 -4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.132 11.465 -6.303 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.364 6.878 -6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.143 9.801 -7.798 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.262 7.502 -7.858 1.00 0.00 H new ATOM 798 N PHE A 54 1.549 9.495 -2.637 1.00 0.00 N ATOM 799 CA PHE A 54 2.217 8.261 -2.228 1.00 0.00 C ATOM 800 C PHE A 54 2.106 8.037 -0.716 1.00 0.00 C ATOM 801 O PHE A 54 1.886 6.910 -0.277 1.00 0.00 O ATOM 802 CB PHE A 54 3.679 8.246 -2.705 1.00 0.00 C ATOM 803 CG PHE A 54 4.604 9.175 -1.987 1.00 0.00 C ATOM 804 CD1 PHE A 54 4.949 8.954 -0.669 1.00 0.00 C ATOM 805 CD2 PHE A 54 5.135 10.267 -2.642 1.00 0.00 C ATOM 806 CE1 PHE A 54 5.810 9.810 -0.017 1.00 0.00 C ATOM 807 CE2 PHE A 54 5.994 11.125 -1.995 1.00 0.00 C ATOM 808 CZ PHE A 54 6.333 10.897 -0.681 1.00 0.00 C ATOM 0 H PHE A 54 2.177 10.256 -2.894 1.00 0.00 H new ATOM 0 HA PHE A 54 1.706 7.427 -2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.064 7.231 -2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.698 8.492 -3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.541 8.103 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.874 10.450 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.074 9.628 1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.402 11.977 -2.518 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.008 11.569 -0.172 1.00 0.00 H new ATOM 818 N ILE A 55 2.206 9.103 0.085 1.00 0.00 N ATOM 819 CA ILE A 55 2.072 8.959 1.540 1.00 0.00 C ATOM 820 C ILE A 55 0.691 8.418 1.894 1.00 0.00 C ATOM 821 O ILE A 55 0.561 7.362 2.512 1.00 0.00 O ATOM 822 CB ILE A 55 2.283 10.298 2.298 1.00 0.00 C ATOM 823 CG1 ILE A 55 3.753 10.709 2.283 1.00 0.00 C ATOM 824 CG2 ILE A 55 1.797 10.187 3.739 1.00 0.00 C ATOM 825 CD1 ILE A 55 4.658 9.745 3.019 1.00 0.00 C ATOM 0 H ILE A 55 2.375 10.055 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 55 2.851 8.263 1.851 1.00 0.00 H new ATOM 0 HB ILE A 55 1.699 11.062 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.088 10.792 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.850 11.699 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.955 11.137 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.735 9.943 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.354 9.402 4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.687 10.100 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.349 9.680 4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.591 8.759 2.559 1.00 0.00 H new ATOM 837 N VAL A 56 -0.334 9.162 1.503 1.00 0.00 N ATOM 838 CA VAL A 56 -1.712 8.789 1.784 1.00 0.00 C ATOM 839 C VAL A 56 -2.083 7.448 1.159 1.00 0.00 C ATOM 840 O VAL A 56 -2.627 6.574 1.832 1.00 0.00 O ATOM 841 CB VAL A 56 -2.688 9.868 1.274 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.119 9.534 1.670 1.00 0.00 C ATOM 843 CG2 VAL A 56 -2.288 11.242 1.795 1.00 0.00 C ATOM 0 H VAL A 56 -0.235 10.035 0.986 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.794 8.700 2.867 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.636 9.888 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.789 10.309 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.401 8.574 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.193 9.480 2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.989 11.990 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.306 11.237 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.283 11.484 1.449 1.00 0.00 H new ATOM 853 N MET A 57 -1.795 7.286 -0.126 1.00 0.00 N ATOM 854 CA MET A 57 -2.118 6.047 -0.820 1.00 0.00 C ATOM 855 C MET A 57 -1.253 4.910 -0.311 1.00 0.00 C ATOM 856 O MET A 57 -1.687 3.762 -0.240 1.00 0.00 O ATOM 857 CB MET A 57 -1.923 6.216 -2.328 1.00 0.00 C ATOM 858 CG MET A 57 -2.397 5.023 -3.143 1.00 0.00 C ATOM 859 SD MET A 57 -2.125 5.243 -4.912 1.00 0.00 S ATOM 860 CE MET A 57 -2.771 3.700 -5.550 1.00 0.00 C ATOM 0 H MET A 57 -1.341 7.992 -0.705 1.00 0.00 H new ATOM 0 HA MET A 57 -3.163 5.807 -0.623 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.459 7.106 -2.657 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.866 6.387 -2.532 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.875 4.127 -2.807 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.459 4.861 -2.959 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.673 3.685 -6.635 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.211 2.867 -5.124 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.823 3.606 -5.280 1.00 0.00 H new ATOM 870 N GLY A 58 -0.023 5.243 0.029 1.00 0.00 N ATOM 871 CA GLY A 58 0.913 4.249 0.513 1.00 0.00 C ATOM 872 C GLY A 58 0.606 3.758 1.914 1.00 0.00 C ATOM 873 O GLY A 58 0.691 2.559 2.180 1.00 0.00 O ATOM 0 H GLY A 58 0.350 6.191 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.912 3.399 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.918 4.670 0.497 1.00 0.00 H new ATOM 877 N LEU A 59 0.254 4.670 2.822 1.00 0.00 N ATOM 878 CA LEU A 59 -0.051 4.276 4.189 1.00 0.00 C ATOM 879 C LEU A 59 -1.322 3.438 4.215 1.00 0.00 C ATOM 880 O LEU A 59 -1.445 2.499 5.001 1.00 0.00 O ATOM 881 CB LEU A 59 -0.165 5.507 5.099 1.00 0.00 C ATOM 882 CG LEU A 59 -1.250 6.524 4.736 1.00 0.00 C ATOM 883 CD1 LEU A 59 -2.591 6.129 5.335 1.00 0.00 C ATOM 884 CD2 LEU A 59 -0.845 7.915 5.207 1.00 0.00 C ATOM 0 H LEU A 59 0.175 5.670 2.636 1.00 0.00 H new ATOM 0 HA LEU A 59 0.766 3.666 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.346 5.163 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.797 6.020 5.102 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.357 6.537 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.344 6.869 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.887 5.152 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.505 6.083 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.624 8.630 4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.710 7.908 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.090 8.204 4.727 1.00 0.00 H new ATOM 896 N VAL A 60 -2.247 3.757 3.315 1.00 0.00 N ATOM 897 CA VAL A 60 -3.495 3.016 3.205 1.00 0.00 C ATOM 898 C VAL A 60 -3.254 1.690 2.494 1.00 0.00 C ATOM 899 O VAL A 60 -3.659 0.630 2.971 1.00 0.00 O ATOM 900 CB VAL A 60 -4.560 3.817 2.431 1.00 0.00 C ATOM 901 CG1 VAL A 60 -5.862 3.038 2.347 1.00 0.00 C ATOM 902 CG2 VAL A 60 -4.788 5.171 3.082 1.00 0.00 C ATOM 0 H VAL A 60 -2.154 4.526 2.651 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.862 2.837 4.216 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.194 3.981 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.600 3.621 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.688 2.093 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.233 2.840 3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.543 5.722 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.129 5.029 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.855 5.735 3.085 1.00 0.00 H new ATOM 912 N ASP A 61 -2.580 1.759 1.350 1.00 0.00 N ATOM 913 CA ASP A 61 -2.268 0.576 0.570 1.00 0.00 C ATOM 914 C ASP A 61 -1.238 -0.292 1.280 1.00 0.00 C ATOM 915 O ASP A 61 -1.080 -1.474 0.963 1.00 0.00 O ATOM 916 CB ASP A 61 -1.745 0.988 -0.806 1.00 0.00 C ATOM 917 CG ASP A 61 -2.828 1.591 -1.683 1.00 0.00 C ATOM 918 OD1 ASP A 61 -3.497 2.546 -1.234 1.00 0.00 O ATOM 919 OD2 ASP A 61 -3.003 1.109 -2.823 1.00 0.00 O ATOM 0 H ASP A 61 -2.239 2.631 0.944 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.180 -0.009 0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.938 1.710 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.320 0.117 -1.305 1.00 0.00 H new ATOM 924 N ALA A 62 -0.538 0.291 2.248 1.00 0.00 N ATOM 925 CA ALA A 62 0.458 -0.451 3.000 1.00 0.00 C ATOM 926 C ALA A 62 -0.190 -1.662 3.651 1.00 0.00 C ATOM 927 O ALA A 62 0.420 -2.721 3.768 1.00 0.00 O ATOM 928 CB ALA A 62 1.111 0.436 4.049 1.00 0.00 C ATOM 0 H ALA A 62 -0.643 1.267 2.526 1.00 0.00 H new ATOM 0 HA ALA A 62 1.236 -0.790 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.854 -0.140 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.596 1.281 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.351 0.804 4.739 1.00 0.00 H new ATOM 934 N ILE A 63 -1.446 -1.500 4.053 1.00 0.00 N ATOM 935 CA ILE A 63 -2.188 -2.580 4.676 1.00 0.00 C ATOM 936 C ILE A 63 -2.279 -3.780 3.726 1.00 0.00 C ATOM 937 O ILE A 63 -1.653 -4.808 3.984 1.00 0.00 O ATOM 938 CB ILE A 63 -3.579 -2.101 5.154 1.00 0.00 C ATOM 939 CG1 ILE A 63 -3.412 -1.137 6.331 1.00 0.00 C ATOM 940 CG2 ILE A 63 -4.471 -3.276 5.546 1.00 0.00 C ATOM 941 CD1 ILE A 63 -4.723 -0.624 6.884 1.00 0.00 C ATOM 0 H ILE A 63 -1.968 -0.629 3.957 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.650 -2.906 5.566 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.067 -1.583 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.864 -1.640 7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.805 -0.289 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.440 -2.903 5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.609 -3.931 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.002 -3.835 6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.527 0.053 7.715 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.264 -0.092 6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.324 -1.464 7.234 1.00 0.00 H new ATOM 953 N PRO A 64 -3.032 -3.695 2.602 1.00 0.00 N ATOM 954 CA PRO A 64 -3.105 -4.815 1.671 1.00 0.00 C ATOM 955 C PRO A 64 -1.715 -5.260 1.251 1.00 0.00 C ATOM 956 O PRO A 64 -1.497 -6.419 0.903 1.00 0.00 O ATOM 957 CB PRO A 64 -3.862 -4.271 0.459 1.00 0.00 C ATOM 958 CG PRO A 64 -4.547 -3.031 0.919 1.00 0.00 C ATOM 959 CD PRO A 64 -3.839 -2.543 2.157 1.00 0.00 C ATOM 0 HA PRO A 64 -3.594 -5.680 2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.179 -4.056 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.583 -5.001 0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.521 -2.269 0.140 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.597 -3.232 1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.211 -1.679 1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.549 -2.236 2.925 1.00 0.00 H new ATOM 967 N MET A 65 -0.777 -4.324 1.303 1.00 0.00 N ATOM 968 CA MET A 65 0.597 -4.606 0.946 1.00 0.00 C ATOM 969 C MET A 65 1.240 -5.481 2.009 1.00 0.00 C ATOM 970 O MET A 65 2.108 -6.299 1.714 1.00 0.00 O ATOM 971 CB MET A 65 1.368 -3.298 0.797 1.00 0.00 C ATOM 972 CG MET A 65 2.820 -3.484 0.415 1.00 0.00 C ATOM 973 SD MET A 65 3.023 -4.349 -1.155 1.00 0.00 S ATOM 974 CE MET A 65 4.810 -4.399 -1.284 1.00 0.00 C ATOM 0 H MET A 65 -0.949 -3.361 1.591 1.00 0.00 H new ATOM 0 HA MET A 65 0.620 -5.139 -0.004 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.879 -2.683 0.041 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.317 -2.748 1.737 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.303 -2.509 0.353 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.329 -4.042 1.201 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.094 -4.905 -2.207 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.203 -3.382 -1.292 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.221 -4.940 -0.432 1.00 0.00 H new ATOM 984 N ILE A 66 0.786 -5.319 3.251 1.00 0.00 N ATOM 985 CA ILE A 66 1.305 -6.111 4.358 1.00 0.00 C ATOM 986 C ILE A 66 0.689 -7.500 4.328 1.00 0.00 C ATOM 987 O ILE A 66 1.378 -8.502 4.508 1.00 0.00 O ATOM 988 CB ILE A 66 1.030 -5.437 5.728 1.00 0.00 C ATOM 989 CG1 ILE A 66 1.874 -4.170 5.869 1.00 0.00 C ATOM 990 CG2 ILE A 66 1.320 -6.389 6.884 1.00 0.00 C ATOM 991 CD1 ILE A 66 1.552 -3.365 7.109 1.00 0.00 C ATOM 0 H ILE A 66 0.063 -4.649 3.512 1.00 0.00 H new ATOM 0 HA ILE A 66 2.386 -6.185 4.239 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.027 -5.173 5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.928 -4.446 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.724 -3.543 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.117 -5.886 7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.684 -7.270 6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.366 -6.692 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.188 -2.481 7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.506 -3.059 7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.729 -3.975 7.995 1.00 0.00 H new ATOM 1003 N ALA A 67 -0.615 -7.552 4.083 1.00 0.00 N ATOM 1004 CA ALA A 67 -1.315 -8.818 4.015 1.00 0.00 C ATOM 1005 C ALA A 67 -0.913 -9.563 2.753 1.00 0.00 C ATOM 1006 O ALA A 67 -0.389 -10.675 2.811 1.00 0.00 O ATOM 1007 CB ALA A 67 -2.821 -8.599 4.059 1.00 0.00 C ATOM 0 H ALA A 67 -1.203 -6.732 3.929 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.039 -9.422 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.330 -9.561 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.089 -8.097 4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.124 -7.982 3.213 1.00 0.00 H new ATOM 1013 N VAL A 68 -1.142 -8.926 1.612 1.00 0.00 N ATOM 1014 CA VAL A 68 -0.787 -9.510 0.331 1.00 0.00 C ATOM 1015 C VAL A 68 0.719 -9.721 0.248 1.00 0.00 C ATOM 1016 O VAL A 68 1.183 -10.741 -0.254 1.00 0.00 O ATOM 1017 CB VAL A 68 -1.247 -8.620 -0.842 1.00 0.00 C ATOM 1018 CG1 VAL A 68 -0.904 -9.266 -2.176 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -2.739 -8.344 -0.743 1.00 0.00 C ATOM 0 H VAL A 68 -1.573 -8.003 1.550 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.297 -10.470 0.254 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.717 -7.670 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.238 -8.621 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.174 -9.408 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.403 -10.232 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.049 -7.715 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.286 -9.286 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.953 -7.833 0.196 1.00 0.00 H new ATOM 1029 N GLY A 69 1.483 -8.756 0.757 1.00 0.00 N ATOM 1030 CA GLY A 69 2.927 -8.878 0.730 1.00 0.00 C ATOM 1031 C GLY A 69 3.410 -10.090 1.499 1.00 0.00 C ATOM 1032 O GLY A 69 4.208 -10.873 0.990 1.00 0.00 O ATOM 0 H GLY A 69 1.129 -7.900 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.265 -8.946 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.375 -7.979 1.153 1.00 0.00 H new ATOM 1036 N LEU A 70 2.929 -10.246 2.731 1.00 0.00 N ATOM 1037 CA LEU A 70 3.316 -11.362 3.563 1.00 0.00 C ATOM 1038 C LEU A 70 2.779 -12.675 3.008 1.00 0.00 C ATOM 1039 O LEU A 70 3.479 -13.687 2.997 1.00 0.00 O ATOM 1040 CB LEU A 70 2.801 -11.130 4.977 1.00 0.00 C ATOM 1041 CG LEU A 70 3.472 -9.980 5.732 1.00 0.00 C ATOM 1042 CD1 LEU A 70 2.794 -9.753 7.077 1.00 0.00 C ATOM 1043 CD2 LEU A 70 4.957 -10.263 5.922 1.00 0.00 C ATOM 0 H LEU A 70 2.267 -9.605 3.169 1.00 0.00 H new ATOM 0 HA LEU A 70 4.404 -11.433 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.729 -10.936 4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.934 -12.047 5.551 1.00 0.00 H new ATOM 0 HG LEU A 70 3.367 -9.072 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.286 -8.932 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.744 -9.506 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.866 -10.659 7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.419 -9.436 6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.082 -11.183 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.434 -10.373 4.948 1.00 0.00 H new ATOM 1055 N GLY A 71 1.534 -12.653 2.544 1.00 0.00 N ATOM 1056 CA GLY A 71 0.931 -13.853 1.994 1.00 0.00 C ATOM 1057 C GLY A 71 1.615 -14.304 0.718 1.00 0.00 C ATOM 1058 O GLY A 71 1.947 -15.476 0.563 1.00 0.00 O ATOM 0 H GLY A 71 0.933 -11.829 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.979 -14.653 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.124 -13.668 1.793 1.00 0.00 H new ATOM 1062 N LEU A 72 1.827 -13.368 -0.198 1.00 0.00 N ATOM 1063 CA LEU A 72 2.475 -13.671 -1.468 1.00 0.00 C ATOM 1064 C LEU A 72 3.955 -13.968 -1.264 1.00 0.00 C ATOM 1065 O LEU A 72 4.531 -14.809 -1.954 1.00 0.00 O ATOM 1066 CB LEU A 72 2.315 -12.501 -2.443 1.00 0.00 C ATOM 1067 CG LEU A 72 0.873 -12.128 -2.801 1.00 0.00 C ATOM 1068 CD1 LEU A 72 0.856 -11.012 -3.835 1.00 0.00 C ATOM 1069 CD2 LEU A 72 0.108 -13.341 -3.313 1.00 0.00 C ATOM 0 H LEU A 72 1.559 -12.390 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 72 1.994 -14.555 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.802 -11.625 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.847 -12.743 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 72 0.378 -11.774 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.175 -10.758 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.360 -10.134 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.371 -11.343 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.913 -13.050 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.600 -13.732 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.089 -14.111 -2.542 1.00 0.00 H new ATOM 1081 N TYR A 73 4.565 -13.277 -0.305 1.00 0.00 N ATOM 1082 CA TYR A 73 5.982 -13.463 -0.008 1.00 0.00 C ATOM 1083 C TYR A 73 6.271 -14.929 0.276 1.00 0.00 C ATOM 1084 O TYR A 73 7.218 -15.503 -0.255 1.00 0.00 O ATOM 1085 CB TYR A 73 6.399 -12.604 1.193 1.00 0.00 C ATOM 1086 CG TYR A 73 7.867 -12.712 1.538 1.00 0.00 C ATOM 1087 CD1 TYR A 73 8.831 -12.052 0.781 1.00 0.00 C ATOM 1088 CD2 TYR A 73 8.291 -13.493 2.604 1.00 0.00 C ATOM 1089 CE1 TYR A 73 10.176 -12.168 1.084 1.00 0.00 C ATOM 1090 CE2 TYR A 73 9.634 -13.610 2.914 1.00 0.00 C ATOM 1091 CZ TYR A 73 10.571 -12.946 2.151 1.00 0.00 C ATOM 1092 OH TYR A 73 11.907 -13.062 2.454 1.00 0.00 O ATOM 0 H TYR A 73 4.100 -12.583 0.280 1.00 0.00 H new ATOM 0 HA TYR A 73 6.560 -13.149 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.160 -11.561 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.808 -12.898 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.525 -11.441 -0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.560 -14.018 3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.913 -11.651 0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.947 -14.218 3.750 1.00 0.00 H new ATOM 0 HH TYR A 73 12.016 -13.645 3.234 1.00 0.00 H new ATOM 1102 N VAL A 74 5.433 -15.532 1.107 1.00 0.00 N ATOM 1103 CA VAL A 74 5.584 -16.937 1.454 1.00 0.00 C ATOM 1104 C VAL A 74 4.924 -17.824 0.398 1.00 0.00 C ATOM 1105 O VAL A 74 5.318 -18.970 0.199 1.00 0.00 O ATOM 1106 CB VAL A 74 4.984 -17.240 2.844 1.00 0.00 C ATOM 1107 CG1 VAL A 74 3.502 -16.904 2.881 1.00 0.00 C ATOM 1108 CG2 VAL A 74 5.218 -18.693 3.235 1.00 0.00 C ATOM 0 H VAL A 74 4.641 -15.070 1.554 1.00 0.00 H new ATOM 0 HA VAL A 74 6.651 -17.156 1.487 1.00 0.00 H new ATOM 0 HB VAL A 74 5.493 -16.609 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.103 -17.126 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.363 -15.845 2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.975 -17.499 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.786 -18.879 4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.747 -19.348 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.289 -18.894 3.266 1.00 0.00 H new ATOM 1118 N MET A 75 3.909 -17.295 -0.283 1.00 0.00 N ATOM 1119 CA MET A 75 3.216 -18.073 -1.302 1.00 0.00 C ATOM 1120 C MET A 75 3.997 -18.148 -2.613 1.00 0.00 C ATOM 1121 O MET A 75 4.579 -19.181 -2.931 1.00 0.00 O ATOM 1122 CB MET A 75 1.813 -17.521 -1.546 1.00 0.00 C ATOM 1123 CG MET A 75 0.753 -18.158 -0.659 1.00 0.00 C ATOM 1124 SD MET A 75 1.181 -18.150 1.092 1.00 0.00 S ATOM 1125 CE MET A 75 -0.296 -18.873 1.801 1.00 0.00 C ATOM 0 H MET A 75 3.555 -16.348 -0.150 1.00 0.00 H new ATOM 0 HA MET A 75 3.134 -19.090 -0.919 1.00 0.00 H new ATOM 0 HB2 MET A 75 1.819 -16.444 -1.377 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.545 -17.678 -2.591 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.190 -17.629 -0.797 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.592 -19.187 -0.981 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.035 -19.416 2.710 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.008 -18.084 2.041 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.745 -19.560 1.084 1.00 0.00 H new ATOM 1135 N PHE A 76 4.014 -17.062 -3.378 1.00 0.00 N ATOM 1136 CA PHE A 76 4.720 -17.054 -4.659 1.00 0.00 C ATOM 1137 C PHE A 76 6.206 -17.377 -4.506 1.00 0.00 C ATOM 1138 O PHE A 76 6.831 -17.883 -5.438 1.00 0.00 O ATOM 1139 CB PHE A 76 4.570 -15.701 -5.363 1.00 0.00 C ATOM 1140 CG PHE A 76 3.220 -15.477 -5.986 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.664 -16.426 -6.828 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.512 -14.315 -5.736 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.425 -16.221 -7.403 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.274 -14.104 -6.309 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.729 -15.058 -7.143 1.00 0.00 C ATOM 0 H PHE A 76 3.553 -16.184 -3.139 1.00 0.00 H new ATOM 0 HA PHE A 76 4.261 -17.835 -5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.762 -14.906 -4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.333 -15.620 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.206 -17.337 -7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.933 -13.564 -5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.001 -16.970 -8.055 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.732 -13.192 -6.104 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.240 -14.895 -7.591 1.00 0.00 H new ATOM 1155 N ALA A 77 6.778 -17.065 -3.349 1.00 0.00 N ATOM 1156 CA ALA A 77 8.196 -17.307 -3.119 1.00 0.00 C ATOM 1157 C ALA A 77 8.461 -18.651 -2.455 1.00 0.00 C ATOM 1158 O ALA A 77 9.224 -19.468 -2.970 1.00 0.00 O ATOM 1159 CB ALA A 77 8.798 -16.178 -2.296 1.00 0.00 C ATOM 0 H ALA A 77 6.285 -16.646 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 77 8.677 -17.337 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.858 -16.372 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.680 -15.235 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.288 -16.116 -1.335 1.00 0.00 H new ATOM 1165 N VAL A 78 7.851 -18.868 -1.302 1.00 0.00 N ATOM 1166 CA VAL A 78 8.048 -20.109 -0.562 1.00 0.00 C ATOM 1167 C VAL A 78 7.071 -21.202 -0.998 1.00 0.00 C ATOM 1168 O VAL A 78 7.208 -22.355 -0.590 1.00 0.00 O ATOM 1169 CB VAL A 78 7.927 -19.894 0.962 1.00 0.00 C ATOM 1170 CG1 VAL A 78 8.291 -21.163 1.715 1.00 0.00 C ATOM 1171 CG2 VAL A 78 8.802 -18.732 1.407 1.00 0.00 C ATOM 0 H VAL A 78 7.217 -18.205 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 78 9.061 -20.437 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 78 6.890 -19.650 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.199 -20.989 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.618 -21.968 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.318 -21.444 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.704 -18.595 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.842 -18.945 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.487 -17.823 0.895 1.00 0.00 H new ATOM 1181 N ALA A 79 6.090 -20.849 -1.828 1.00 0.00 N ATOM 1182 CA ALA A 79 5.115 -21.828 -2.307 1.00 0.00 C ATOM 1183 C ALA A 79 4.909 -21.709 -3.814 1.00 0.00 C ATOM 1184 O ALA A 79 3.780 -21.594 -4.292 1.00 0.00 O ATOM 1185 CB ALA A 79 3.791 -21.666 -1.577 1.00 0.00 C ATOM 0 H ALA A 79 5.950 -19.902 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 79 5.510 -22.822 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.079 -22.403 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.944 -21.815 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.400 -20.664 -1.751 1.00 0.00 H new