USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -103:sc= -0.146 (180deg=-1.91!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.353 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -17:sc= -0.414 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.43 K(o=-1.4,f=-8.1!) USER MOD Single : A 45 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.6!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -37:sc= 0.881 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -58:sc= 1.03 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.200 -11.619 23.433 1.00 0.00 N ATOM 2 CA MET A 1 -3.537 -12.875 23.738 1.00 0.00 C ATOM 3 C MET A 1 -4.543 -14.026 23.798 1.00 0.00 C ATOM 4 O MET A 1 -5.023 -14.380 24.874 1.00 0.00 O ATOM 5 CB MET A 1 -2.814 -12.758 25.081 1.00 0.00 C ATOM 6 CG MET A 1 -1.308 -12.975 24.914 1.00 0.00 C ATOM 7 SD MET A 1 -0.483 -11.403 24.727 1.00 0.00 S ATOM 8 CE MET A 1 -0.272 -11.373 22.955 1.00 0.00 C ATOM 0 H1 MET A 1 -4.038 -11.374 22.435 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.221 -11.715 23.604 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.816 -10.867 24.041 1.00 0.00 H new ATOM 0 HA MET A 1 -2.819 -13.086 22.946 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.998 -11.774 25.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.216 -13.492 25.779 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.910 -13.503 25.780 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.117 -13.602 24.043 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.232 -10.451 22.664 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.329 -12.228 22.646 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.248 -11.421 22.472 1.00 0.00 H new ATOM 18 N SER A 2 -4.832 -14.579 22.629 1.00 0.00 N ATOM 19 CA SER A 2 -5.773 -15.683 22.536 1.00 0.00 C ATOM 20 C SER A 2 -5.716 -16.302 21.138 1.00 0.00 C ATOM 21 O SER A 2 -4.702 -16.197 20.450 1.00 0.00 O ATOM 22 CB SER A 2 -7.196 -15.222 22.855 1.00 0.00 C ATOM 23 OG SER A 2 -8.054 -16.316 23.168 1.00 0.00 O ATOM 0 H SER A 2 -4.431 -14.284 21.739 1.00 0.00 H new ATOM 0 HA SER A 2 -5.491 -16.436 23.272 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.172 -14.528 23.695 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.600 -14.677 22.002 1.00 0.00 H new ATOM 0 HG SER A 2 -8.953 -15.980 23.367 1.00 0.00 H new ATOM 29 N LEU A 3 -6.818 -16.932 20.759 1.00 0.00 N ATOM 30 CA LEU A 3 -6.906 -17.568 19.456 1.00 0.00 C ATOM 31 C LEU A 3 -7.798 -16.725 18.541 1.00 0.00 C ATOM 32 O LEU A 3 -7.447 -16.470 17.390 1.00 0.00 O ATOM 33 CB LEU A 3 -7.370 -19.019 19.597 1.00 0.00 C ATOM 34 CG LEU A 3 -6.263 -20.064 19.755 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.545 -20.988 20.941 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.059 -20.846 18.456 1.00 0.00 C ATOM 0 H LEU A 3 -7.658 -17.016 21.332 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.922 -17.616 18.989 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.032 -19.086 20.461 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.964 -19.277 18.720 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.330 -19.543 19.968 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.743 -21.721 21.030 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.601 -20.399 21.856 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.492 -21.504 20.783 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.267 -21.582 18.595 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.985 -21.355 18.189 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.779 -20.159 17.658 1.00 0.00 H new ATOM 48 N GLY A 4 -8.932 -16.314 19.089 1.00 0.00 N ATOM 49 CA GLY A 4 -9.876 -15.505 18.337 1.00 0.00 C ATOM 50 C GLY A 4 -9.259 -14.158 17.954 1.00 0.00 C ATOM 51 O GLY A 4 -9.285 -13.769 16.787 1.00 0.00 O ATOM 0 H GLY A 4 -9.218 -16.526 20.045 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.182 -16.038 17.437 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.775 -15.342 18.931 1.00 0.00 H new ATOM 55 N VAL A 5 -8.720 -13.483 18.958 1.00 0.00 N ATOM 56 CA VAL A 5 -8.098 -12.187 18.741 1.00 0.00 C ATOM 57 C VAL A 5 -7.047 -12.310 17.637 1.00 0.00 C ATOM 58 O VAL A 5 -6.797 -11.354 16.904 1.00 0.00 O ATOM 59 CB VAL A 5 -7.525 -11.655 20.056 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.183 -12.317 20.377 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.390 -10.132 20.019 1.00 0.00 C ATOM 0 H VAL A 5 -8.701 -13.809 19.924 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.837 -11.459 18.406 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.223 -11.910 20.853 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.798 -11.921 21.317 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.321 -13.394 20.467 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.473 -12.108 19.577 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.981 -9.780 20.966 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.723 -9.846 19.206 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.370 -9.684 19.859 1.00 0.00 H new ATOM 71 N LEU A 6 -6.459 -13.494 17.552 1.00 0.00 N ATOM 72 CA LEU A 6 -5.440 -13.754 16.550 1.00 0.00 C ATOM 73 C LEU A 6 -6.062 -13.643 15.156 1.00 0.00 C ATOM 74 O LEU A 6 -5.552 -12.921 14.301 1.00 0.00 O ATOM 75 CB LEU A 6 -4.759 -15.099 16.814 1.00 0.00 C ATOM 76 CG LEU A 6 -3.487 -15.376 16.009 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.372 -16.861 15.660 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.420 -14.487 14.765 1.00 0.00 C ATOM 0 H LEU A 6 -6.669 -14.285 18.161 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.649 -13.006 16.608 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.514 -15.158 17.875 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.476 -15.894 16.608 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.628 -15.124 16.630 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.460 -17.031 15.088 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.340 -17.449 16.577 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.234 -17.163 15.066 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.507 -14.704 14.211 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.284 -14.683 14.131 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.421 -13.439 15.066 1.00 0.00 H new ATOM 90 N ALA A 7 -7.155 -14.369 14.971 1.00 0.00 N ATOM 91 CA ALA A 7 -7.852 -14.360 13.696 1.00 0.00 C ATOM 92 C ALA A 7 -8.138 -12.915 13.286 1.00 0.00 C ATOM 93 O ALA A 7 -8.163 -12.596 12.098 1.00 0.00 O ATOM 94 CB ALA A 7 -9.126 -15.199 13.806 1.00 0.00 C ATOM 0 H ALA A 7 -7.575 -14.967 15.683 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.234 -14.806 12.917 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.649 -15.193 12.850 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.865 -16.224 14.070 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.773 -14.779 14.576 1.00 0.00 H new ATOM 100 N ALA A 8 -8.348 -12.078 14.292 1.00 0.00 N ATOM 101 CA ALA A 8 -8.632 -10.674 14.051 1.00 0.00 C ATOM 102 C ALA A 8 -7.366 -9.982 13.541 1.00 0.00 C ATOM 103 O ALA A 8 -7.442 -9.051 12.740 1.00 0.00 O ATOM 104 CB ALA A 8 -9.170 -10.034 15.332 1.00 0.00 C ATOM 0 H ALA A 8 -8.327 -12.346 15.276 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.399 -10.564 13.285 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.383 -8.980 15.151 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.085 -10.542 15.636 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.426 -10.123 16.123 1.00 0.00 H new ATOM 110 N ALA A 9 -6.231 -10.464 14.026 1.00 0.00 N ATOM 111 CA ALA A 9 -4.950 -9.903 13.629 1.00 0.00 C ATOM 112 C ALA A 9 -4.666 -10.273 12.172 1.00 0.00 C ATOM 113 O ALA A 9 -4.006 -9.523 11.455 1.00 0.00 O ATOM 114 CB ALA A 9 -3.859 -10.399 14.580 1.00 0.00 C ATOM 0 H ALA A 9 -6.171 -11.236 14.690 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.970 -8.815 13.695 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.898 -9.979 14.283 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.093 -10.085 15.597 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.807 -11.487 14.539 1.00 0.00 H new ATOM 120 N ILE A 10 -5.178 -11.430 11.778 1.00 0.00 N ATOM 121 CA ILE A 10 -4.987 -11.908 10.419 1.00 0.00 C ATOM 122 C ILE A 10 -5.958 -11.182 9.486 1.00 0.00 C ATOM 123 O ILE A 10 -5.544 -10.600 8.485 1.00 0.00 O ATOM 124 CB ILE A 10 -5.106 -13.433 10.366 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.734 -14.096 10.503 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.836 -13.882 9.099 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.780 -15.248 11.509 1.00 0.00 C ATOM 0 H ILE A 10 -5.725 -12.050 12.376 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.980 -11.678 10.072 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.706 -13.758 11.216 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.408 -14.469 9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.000 -13.357 10.824 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.907 -14.970 9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.838 -13.453 9.085 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.284 -13.544 8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.792 -15.702 11.588 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.083 -14.867 12.484 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.498 -15.996 11.173 1.00 0.00 H new ATOM 139 N ALA A 11 -7.231 -11.241 9.848 1.00 0.00 N ATOM 140 CA ALA A 11 -8.265 -10.596 9.055 1.00 0.00 C ATOM 141 C ALA A 11 -7.922 -9.115 8.886 1.00 0.00 C ATOM 142 O ALA A 11 -8.385 -8.470 7.947 1.00 0.00 O ATOM 143 CB ALA A 11 -9.625 -10.808 9.722 1.00 0.00 C ATOM 0 H ALA A 11 -7.570 -11.725 10.679 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.318 -11.037 8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.401 -10.325 9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.834 -11.876 9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.611 -10.375 10.722 1.00 0.00 H new ATOM 149 N VAL A 12 -7.114 -8.618 9.811 1.00 0.00 N ATOM 150 CA VAL A 12 -6.704 -7.225 9.777 1.00 0.00 C ATOM 151 C VAL A 12 -5.590 -7.051 8.742 1.00 0.00 C ATOM 152 O VAL A 12 -5.675 -6.185 7.872 1.00 0.00 O ATOM 153 CB VAL A 12 -6.296 -6.764 11.177 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.122 -5.784 11.112 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.483 -6.149 11.920 1.00 0.00 C ATOM 0 H VAL A 12 -6.732 -9.156 10.589 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.535 -6.590 9.471 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.969 -7.641 11.736 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.852 -5.472 12.121 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.267 -6.271 10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.409 -4.910 10.527 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.165 -5.830 12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.854 -5.288 11.364 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.277 -6.890 12.014 1.00 0.00 H new ATOM 165 N GLY A 13 -4.570 -7.887 8.871 1.00 0.00 N ATOM 166 CA GLY A 13 -3.441 -7.837 7.958 1.00 0.00 C ATOM 167 C GLY A 13 -3.906 -7.944 6.504 1.00 0.00 C ATOM 168 O GLY A 13 -3.338 -7.306 5.619 1.00 0.00 O ATOM 0 H GLY A 13 -4.502 -8.603 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.894 -6.905 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.750 -8.650 8.183 1.00 0.00 H new ATOM 172 N LEU A 14 -4.934 -8.755 6.303 1.00 0.00 N ATOM 173 CA LEU A 14 -5.482 -8.953 4.972 1.00 0.00 C ATOM 174 C LEU A 14 -6.266 -7.707 4.557 1.00 0.00 C ATOM 175 O LEU A 14 -6.237 -7.310 3.393 1.00 0.00 O ATOM 176 CB LEU A 14 -6.303 -10.243 4.917 1.00 0.00 C ATOM 177 CG LEU A 14 -7.476 -10.250 3.934 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.984 -10.421 2.496 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.506 -11.313 4.318 1.00 0.00 C ATOM 0 H LEU A 14 -5.402 -9.283 7.040 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.680 -9.082 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.635 -11.065 4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.690 -10.447 5.915 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.976 -9.283 3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.837 -10.423 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.318 -9.598 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.446 -11.365 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.329 -11.297 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.035 -12.296 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.889 -11.105 5.317 1.00 0.00 H new ATOM 191 N GLY A 15 -6.947 -7.123 5.532 1.00 0.00 N ATOM 192 CA GLY A 15 -7.737 -5.930 5.282 1.00 0.00 C ATOM 193 C GLY A 15 -6.844 -4.754 4.883 1.00 0.00 C ATOM 194 O GLY A 15 -7.091 -4.097 3.873 1.00 0.00 O ATOM 0 H GLY A 15 -6.968 -7.454 6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.460 -6.127 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.306 -5.672 6.175 1.00 0.00 H new ATOM 198 N ALA A 16 -5.823 -4.524 5.696 1.00 0.00 N ATOM 199 CA ALA A 16 -4.891 -3.439 5.440 1.00 0.00 C ATOM 200 C ALA A 16 -4.020 -3.795 4.233 1.00 0.00 C ATOM 201 O ALA A 16 -3.378 -2.924 3.649 1.00 0.00 O ATOM 202 CB ALA A 16 -4.063 -3.170 6.698 1.00 0.00 C ATOM 0 H ALA A 16 -5.621 -5.071 6.533 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.427 -2.521 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.364 -2.356 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.726 -2.893 7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.508 -4.069 6.968 1.00 0.00 H new ATOM 208 N LEU A 17 -4.028 -5.076 3.895 1.00 0.00 N ATOM 209 CA LEU A 17 -3.246 -5.557 2.769 1.00 0.00 C ATOM 210 C LEU A 17 -3.870 -5.050 1.467 1.00 0.00 C ATOM 211 O LEU A 17 -3.214 -4.361 0.687 1.00 0.00 O ATOM 212 CB LEU A 17 -3.100 -7.079 2.829 1.00 0.00 C ATOM 213 CG LEU A 17 -2.814 -7.778 1.499 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.524 -8.598 1.577 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.007 -8.627 1.057 1.00 0.00 C ATOM 0 H LEU A 17 -4.563 -5.795 4.381 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.232 -5.161 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.295 -7.320 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.017 -7.496 3.246 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.664 -7.013 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.344 -9.085 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.688 -7.939 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.620 -9.355 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.777 -9.113 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.214 -9.385 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.882 -7.989 0.935 1.00 0.00 H new ATOM 227 N GLY A 18 -5.130 -5.411 1.272 1.00 0.00 N ATOM 228 CA GLY A 18 -5.850 -5.001 0.079 1.00 0.00 C ATOM 229 C GLY A 18 -6.259 -3.529 0.163 1.00 0.00 C ATOM 230 O GLY A 18 -6.275 -2.826 -0.846 1.00 0.00 O ATOM 0 H GLY A 18 -5.671 -5.983 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.224 -5.159 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.737 -5.622 -0.046 1.00 0.00 H new ATOM 234 N ALA A 19 -6.580 -3.106 1.377 1.00 0.00 N ATOM 235 CA ALA A 19 -6.988 -1.730 1.607 1.00 0.00 C ATOM 236 C ALA A 19 -5.781 -0.808 1.423 1.00 0.00 C ATOM 237 O ALA A 19 -5.911 0.290 0.884 1.00 0.00 O ATOM 238 CB ALA A 19 -7.609 -1.608 2.999 1.00 0.00 C ATOM 0 H ALA A 19 -6.566 -3.692 2.212 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.746 -1.428 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.915 -0.576 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.479 -2.261 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.876 -1.900 3.751 1.00 0.00 H new ATOM 244 N GLY A 20 -4.635 -1.287 1.882 1.00 0.00 N ATOM 245 CA GLY A 20 -3.406 -0.519 1.776 1.00 0.00 C ATOM 246 C GLY A 20 -3.068 -0.226 0.313 1.00 0.00 C ATOM 247 O GLY A 20 -2.830 0.923 -0.054 1.00 0.00 O ATOM 0 H GLY A 20 -4.531 -2.198 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.510 0.418 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.587 -1.070 2.239 1.00 0.00 H new ATOM 251 N ILE A 21 -3.058 -1.285 -0.483 1.00 0.00 N ATOM 252 CA ILE A 21 -2.753 -1.156 -1.898 1.00 0.00 C ATOM 253 C ILE A 21 -3.811 -0.274 -2.564 1.00 0.00 C ATOM 254 O ILE A 21 -3.509 0.464 -3.501 1.00 0.00 O ATOM 255 CB ILE A 21 -2.607 -2.535 -2.543 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.865 -2.441 -3.877 1.00 0.00 C ATOM 257 CG2 ILE A 21 -3.969 -3.218 -2.691 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.799 -3.532 -3.990 1.00 0.00 C ATOM 0 H ILE A 21 -3.256 -2.237 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.791 -0.662 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.004 -3.159 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.575 -2.535 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.398 -1.460 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.837 -4.197 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.424 -3.338 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.617 -2.606 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.287 -3.442 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.077 -3.421 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.272 -4.512 -3.922 1.00 0.00 H new ATOM 270 N GLY A 22 -5.030 -0.380 -2.055 1.00 0.00 N ATOM 271 CA GLY A 22 -6.134 0.399 -2.590 1.00 0.00 C ATOM 272 C GLY A 22 -6.007 1.872 -2.196 1.00 0.00 C ATOM 273 O GLY A 22 -6.343 2.759 -2.979 1.00 0.00 O ATOM 0 H GLY A 22 -5.277 -0.993 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.154 0.310 -3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.078 -0.000 -2.220 1.00 0.00 H new ATOM 277 N ASN A 23 -5.521 2.087 -0.982 1.00 0.00 N ATOM 278 CA ASN A 23 -5.346 3.438 -0.475 1.00 0.00 C ATOM 279 C ASN A 23 -4.123 4.073 -1.140 1.00 0.00 C ATOM 280 O ASN A 23 -4.024 5.296 -1.225 1.00 0.00 O ATOM 281 CB ASN A 23 -5.112 3.432 1.037 1.00 0.00 C ATOM 282 CG ASN A 23 -5.218 4.845 1.614 1.00 0.00 C ATOM 283 OD1 ASN A 23 -4.235 5.472 1.973 1.00 0.00 O ATOM 284 ND2 ASN A 23 -6.462 5.310 1.681 1.00 0.00 N ATOM 0 H ASN A 23 -5.243 1.349 -0.335 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.252 4.002 -0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.843 2.783 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.127 3.020 1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.638 6.244 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.240 4.732 1.363 1.00 0.00 H new ATOM 291 N GLY A 24 -3.224 3.213 -1.595 1.00 0.00 N ATOM 292 CA GLY A 24 -2.012 3.675 -2.250 1.00 0.00 C ATOM 293 C GLY A 24 -2.292 4.082 -3.698 1.00 0.00 C ATOM 294 O GLY A 24 -1.612 4.949 -4.246 1.00 0.00 O ATOM 0 H GLY A 24 -3.310 2.199 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.600 4.523 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.260 2.886 -2.229 1.00 0.00 H new ATOM 298 N LEU A 25 -3.294 3.437 -4.277 1.00 0.00 N ATOM 299 CA LEU A 25 -3.673 3.721 -5.651 1.00 0.00 C ATOM 300 C LEU A 25 -4.451 5.038 -5.699 1.00 0.00 C ATOM 301 O LEU A 25 -4.332 5.799 -6.658 1.00 0.00 O ATOM 302 CB LEU A 25 -4.431 2.537 -6.254 1.00 0.00 C ATOM 303 CG LEU A 25 -3.604 1.278 -6.523 1.00 0.00 C ATOM 304 CD1 LEU A 25 -4.394 0.017 -6.171 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.097 1.254 -7.967 1.00 0.00 C ATOM 0 H LEU A 25 -3.855 2.718 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.786 3.851 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.248 2.274 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.881 2.859 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.728 1.299 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.783 -0.863 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.663 0.039 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.300 -0.025 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.512 0.349 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.946 1.268 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.472 2.128 -8.148 1.00 0.00 H new ATOM 317 N ILE A 26 -5.230 5.267 -4.652 1.00 0.00 N ATOM 318 CA ILE A 26 -6.027 6.478 -4.563 1.00 0.00 C ATOM 319 C ILE A 26 -5.098 7.689 -4.459 1.00 0.00 C ATOM 320 O ILE A 26 -5.298 8.691 -5.144 1.00 0.00 O ATOM 321 CB ILE A 26 -7.033 6.374 -3.415 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.277 5.593 -3.844 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.387 7.759 -2.869 1.00 0.00 C ATOM 324 CD1 ILE A 26 -9.144 6.420 -4.795 1.00 0.00 C ATOM 0 H ILE A 26 -5.326 4.634 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.622 6.609 -5.467 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.567 5.816 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.978 4.666 -4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.858 5.316 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.104 7.657 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.485 8.246 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.825 8.362 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.021 5.841 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.462 7.335 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.568 6.674 -5.685 1.00 0.00 H new ATOM 336 N VAL A 27 -4.101 7.556 -3.597 1.00 0.00 N ATOM 337 CA VAL A 27 -3.139 8.627 -3.394 1.00 0.00 C ATOM 338 C VAL A 27 -2.291 8.791 -4.656 1.00 0.00 C ATOM 339 O VAL A 27 -1.984 9.911 -5.061 1.00 0.00 O ATOM 340 CB VAL A 27 -2.303 8.349 -2.143 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.475 7.073 -2.310 1.00 0.00 C ATOM 342 CG2 VAL A 27 -1.407 9.543 -1.806 1.00 0.00 C ATOM 0 H VAL A 27 -3.938 6.723 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.652 9.574 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.988 8.198 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.890 6.898 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.141 6.227 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.804 7.184 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.823 9.319 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.733 9.739 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.025 10.422 -1.625 1.00 0.00 H new ATOM 352 N SER A 28 -1.937 7.658 -5.244 1.00 0.00 N ATOM 353 CA SER A 28 -1.131 7.662 -6.453 1.00 0.00 C ATOM 354 C SER A 28 -1.902 8.327 -7.595 1.00 0.00 C ATOM 355 O SER A 28 -1.302 8.914 -8.494 1.00 0.00 O ATOM 356 CB SER A 28 -0.721 6.241 -6.846 1.00 0.00 C ATOM 357 OG SER A 28 -1.823 5.485 -7.341 1.00 0.00 O ATOM 0 H SER A 28 -2.194 6.731 -4.906 1.00 0.00 H new ATOM 0 HA SER A 28 -0.223 8.232 -6.256 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.059 6.286 -7.606 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.293 5.735 -5.981 1.00 0.00 H new ATOM 0 HG SER A 28 -2.662 5.919 -7.078 1.00 0.00 H new ATOM 363 N ARG A 29 -3.220 8.214 -7.521 1.00 0.00 N ATOM 364 CA ARG A 29 -4.079 8.797 -8.537 1.00 0.00 C ATOM 365 C ARG A 29 -4.169 10.313 -8.349 1.00 0.00 C ATOM 366 O ARG A 29 -4.347 11.052 -9.316 1.00 0.00 O ATOM 367 CB ARG A 29 -5.486 8.198 -8.479 1.00 0.00 C ATOM 368 CG ARG A 29 -6.400 8.844 -9.522 1.00 0.00 C ATOM 369 CD ARG A 29 -6.094 8.313 -10.924 1.00 0.00 C ATOM 370 NE ARG A 29 -7.248 7.542 -11.437 1.00 0.00 N ATOM 371 CZ ARG A 29 -7.232 6.831 -12.572 1.00 0.00 C ATOM 372 NH1 ARG A 29 -6.121 6.788 -13.320 1.00 0.00 N ATOM 373 NH2 ARG A 29 -8.326 6.162 -12.960 1.00 0.00 N ATOM 0 H ARG A 29 -3.714 7.727 -6.773 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.641 8.573 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.435 7.123 -8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.906 8.342 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.442 8.643 -9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.271 9.926 -9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.873 9.143 -11.596 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.207 7.680 -10.896 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.110 7.553 -10.892 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.288 7.297 -13.025 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.109 6.247 -14.184 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.172 6.194 -12.391 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.313 5.621 -13.824 1.00 0.00 H new ATOM 387 N THR A 30 -4.043 10.731 -7.098 1.00 0.00 N ATOM 388 CA THR A 30 -4.108 12.145 -6.772 1.00 0.00 C ATOM 389 C THR A 30 -2.830 12.855 -7.220 1.00 0.00 C ATOM 390 O THR A 30 -2.887 13.945 -7.789 1.00 0.00 O ATOM 391 CB THR A 30 -4.379 12.271 -5.271 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.366 13.295 -5.182 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.182 12.840 -4.506 1.00 0.00 C ATOM 0 H THR A 30 -3.896 10.115 -6.298 1.00 0.00 H new ATOM 0 HA THR A 30 -4.920 12.638 -7.307 1.00 0.00 H new ATOM 0 HB THR A 30 -4.638 11.293 -4.865 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.602 13.441 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.427 12.909 -3.446 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.321 12.185 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.944 13.833 -4.889 1.00 0.00 H new ATOM 401 N ILE A 31 -1.705 12.210 -6.948 1.00 0.00 N ATOM 402 CA ILE A 31 -0.415 12.766 -7.317 1.00 0.00 C ATOM 403 C ILE A 31 -0.298 12.806 -8.842 1.00 0.00 C ATOM 404 O ILE A 31 0.015 13.847 -9.417 1.00 0.00 O ATOM 405 CB ILE A 31 0.716 11.994 -6.634 1.00 0.00 C ATOM 406 CG1 ILE A 31 0.725 10.529 -7.075 1.00 0.00 C ATOM 407 CG2 ILE A 31 0.635 12.135 -5.112 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.789 9.735 -6.315 1.00 0.00 C ATOM 0 H ILE A 31 -1.661 11.307 -6.476 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.328 13.793 -6.963 1.00 0.00 H new ATOM 0 HB ILE A 31 1.665 12.430 -6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.256 10.087 -6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.917 10.469 -8.146 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.450 11.577 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.716 13.187 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.319 11.741 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.775 8.697 -6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.772 10.165 -6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.580 9.777 -5.246 1.00 0.00 H new ATOM 420 N GLU A 32 -0.556 11.660 -9.453 1.00 0.00 N ATOM 421 CA GLU A 32 -0.484 11.551 -10.901 1.00 0.00 C ATOM 422 C GLU A 32 -1.426 12.563 -11.557 1.00 0.00 C ATOM 423 O GLU A 32 -1.205 12.974 -12.695 1.00 0.00 O ATOM 424 CB GLU A 32 -0.804 10.127 -11.360 1.00 0.00 C ATOM 425 CG GLU A 32 -2.315 9.883 -11.378 1.00 0.00 C ATOM 426 CD GLU A 32 -2.632 8.441 -11.779 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.268 7.540 -10.994 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.232 8.273 -12.863 1.00 0.00 O ATOM 0 H GLU A 32 -0.815 10.798 -8.973 1.00 0.00 H new ATOM 0 HA GLU A 32 0.536 11.778 -11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.393 9.961 -12.356 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.324 9.410 -10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.732 10.090 -10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.790 10.572 -12.077 1.00 0.00 H new ATOM 435 N GLY A 33 -2.455 12.936 -10.810 1.00 0.00 N ATOM 436 CA GLY A 33 -3.431 13.892 -11.305 1.00 0.00 C ATOM 437 C GLY A 33 -2.866 15.314 -11.280 1.00 0.00 C ATOM 438 O GLY A 33 -3.200 16.133 -12.135 1.00 0.00 O ATOM 0 H GLY A 33 -2.634 12.594 -9.866 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.719 13.629 -12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.334 13.845 -10.696 1.00 0.00 H new ATOM 442 N ILE A 34 -2.021 15.563 -10.291 1.00 0.00 N ATOM 443 CA ILE A 34 -1.407 16.872 -10.143 1.00 0.00 C ATOM 444 C ILE A 34 -0.214 16.981 -11.095 1.00 0.00 C ATOM 445 O ILE A 34 0.133 18.075 -11.539 1.00 0.00 O ATOM 446 CB ILE A 34 -1.051 17.134 -8.679 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.333 16.576 -8.342 1.00 0.00 C ATOM 448 CG2 ILE A 34 -2.133 16.587 -7.745 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.347 17.705 -8.146 1.00 0.00 C ATOM 0 H ILE A 34 -1.747 14.881 -9.584 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.111 17.657 -10.421 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.009 18.212 -8.526 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.275 15.973 -7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.668 15.917 -9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.855 16.786 -6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.084 17.073 -7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.232 15.512 -7.893 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.322 17.281 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.420 18.291 -9.062 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.022 18.349 -7.329 1.00 0.00 H new ATOM 461 N ALA A 35 0.382 15.833 -11.381 1.00 0.00 N ATOM 462 CA ALA A 35 1.529 15.786 -12.272 1.00 0.00 C ATOM 463 C ALA A 35 1.085 16.160 -13.687 1.00 0.00 C ATOM 464 O ALA A 35 1.918 16.434 -14.550 1.00 0.00 O ATOM 465 CB ALA A 35 2.167 14.397 -12.209 1.00 0.00 C ATOM 0 H ALA A 35 0.092 14.928 -11.011 1.00 0.00 H new ATOM 0 HA ALA A 35 2.286 16.507 -11.963 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.027 14.361 -12.877 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.491 14.191 -11.189 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.438 13.647 -12.516 1.00 0.00 H new ATOM 471 N ARG A 36 -0.225 16.160 -13.882 1.00 0.00 N ATOM 472 CA ARG A 36 -0.790 16.497 -15.178 1.00 0.00 C ATOM 473 C ARG A 36 -0.140 17.769 -15.725 1.00 0.00 C ATOM 474 O ARG A 36 0.300 17.801 -16.874 1.00 0.00 O ATOM 475 CB ARG A 36 -2.302 16.705 -15.082 1.00 0.00 C ATOM 476 CG ARG A 36 -3.034 15.367 -14.965 1.00 0.00 C ATOM 477 CD ARG A 36 -4.540 15.578 -14.799 1.00 0.00 C ATOM 478 NE ARG A 36 -5.259 15.043 -15.977 1.00 0.00 N ATOM 479 CZ ARG A 36 -6.583 15.144 -16.159 1.00 0.00 C ATOM 480 NH1 ARG A 36 -7.340 15.761 -15.242 1.00 0.00 N ATOM 481 NH2 ARG A 36 -7.149 14.628 -17.259 1.00 0.00 N ATOM 0 H ARG A 36 -0.912 15.932 -13.164 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.592 15.665 -15.853 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.533 17.327 -14.217 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.655 17.241 -15.963 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.843 14.765 -15.854 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.645 14.809 -14.113 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.888 15.080 -13.894 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.756 16.640 -14.682 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.713 14.568 -16.695 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.909 16.154 -14.405 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.348 15.838 -15.381 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.572 14.159 -17.957 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.157 14.705 -17.398 1.00 0.00 H new ATOM 495 N GLN A 37 -0.099 18.787 -14.878 1.00 0.00 N ATOM 496 CA GLN A 37 0.490 20.058 -15.263 1.00 0.00 C ATOM 497 C GLN A 37 1.795 19.829 -16.027 1.00 0.00 C ATOM 498 O GLN A 37 2.405 18.767 -15.916 1.00 0.00 O ATOM 499 CB GLN A 37 0.719 20.948 -14.040 1.00 0.00 C ATOM 500 CG GLN A 37 -0.606 21.484 -13.494 1.00 0.00 C ATOM 501 CD GLN A 37 -0.878 22.899 -14.007 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.174 23.428 -14.851 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.936 23.482 -13.450 1.00 0.00 N ATOM 0 H GLN A 37 -0.464 18.757 -13.926 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.207 20.575 -15.922 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.233 20.380 -13.264 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.369 21.781 -14.309 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.420 20.823 -13.791 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.580 21.487 -12.404 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.483 22.983 -12.749 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.200 24.428 -13.724 1.00 0.00 H new ATOM 512 N PRO A 38 2.195 20.869 -16.806 1.00 0.00 N ATOM 513 CA PRO A 38 3.417 20.792 -17.589 1.00 0.00 C ATOM 514 C PRO A 38 4.650 20.941 -16.696 1.00 0.00 C ATOM 515 O PRO A 38 5.617 20.194 -16.837 1.00 0.00 O ATOM 516 CB PRO A 38 3.294 21.900 -18.622 1.00 0.00 C ATOM 517 CG PRO A 38 2.232 22.849 -18.090 1.00 0.00 C ATOM 518 CD PRO A 38 1.498 22.142 -16.962 1.00 0.00 C ATOM 0 HA PRO A 38 3.544 19.825 -18.076 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.245 22.415 -18.758 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.007 21.498 -19.594 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.689 23.770 -17.729 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.537 23.127 -18.882 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.529 22.726 -16.042 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.447 21.990 -17.207 1.00 0.00 H new ATOM 526 N GLU A 39 4.577 21.911 -15.797 1.00 0.00 N ATOM 527 CA GLU A 39 5.675 22.167 -14.881 1.00 0.00 C ATOM 528 C GLU A 39 5.789 21.035 -13.858 1.00 0.00 C ATOM 529 O GLU A 39 6.729 21.002 -13.065 1.00 0.00 O ATOM 530 CB GLU A 39 5.505 23.520 -14.186 1.00 0.00 C ATOM 531 CG GLU A 39 6.861 24.184 -13.939 1.00 0.00 C ATOM 532 CD GLU A 39 6.790 25.150 -12.754 1.00 0.00 C ATOM 533 OE1 GLU A 39 7.007 24.674 -11.619 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.521 26.344 -13.011 1.00 0.00 O ATOM 0 H GLU A 39 3.774 22.530 -15.683 1.00 0.00 H new ATOM 0 HA GLU A 39 6.600 22.204 -15.456 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.883 24.172 -14.799 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.985 23.383 -13.238 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.614 23.420 -13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.175 24.722 -14.833 1.00 0.00 H new ATOM 541 N LEU A 40 4.818 20.135 -13.909 1.00 0.00 N ATOM 542 CA LEU A 40 4.798 19.004 -12.997 1.00 0.00 C ATOM 543 C LEU A 40 5.012 17.712 -13.788 1.00 0.00 C ATOM 544 O LEU A 40 4.478 16.664 -13.428 1.00 0.00 O ATOM 545 CB LEU A 40 3.514 19.010 -12.165 1.00 0.00 C ATOM 546 CG LEU A 40 3.375 20.149 -11.153 1.00 0.00 C ATOM 547 CD1 LEU A 40 2.839 21.416 -11.824 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.515 19.723 -9.962 1.00 0.00 C ATOM 0 H LEU A 40 4.040 20.166 -14.567 1.00 0.00 H new ATOM 0 HA LEU A 40 5.616 19.078 -12.280 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.664 19.050 -12.846 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.448 18.064 -11.628 1.00 0.00 H new ATOM 0 HG LEU A 40 4.366 20.385 -10.766 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.750 22.210 -11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.525 21.729 -12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.860 21.212 -12.257 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.432 20.551 -9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.521 19.444 -10.312 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.978 18.870 -9.466 1.00 0.00 H new ATOM 560 N ARG A 41 5.794 17.830 -14.851 1.00 0.00 N ATOM 561 CA ARG A 41 6.085 16.684 -15.696 1.00 0.00 C ATOM 562 C ARG A 41 6.895 15.644 -14.920 1.00 0.00 C ATOM 563 O ARG A 41 6.671 14.443 -15.064 1.00 0.00 O ATOM 564 CB ARG A 41 6.868 17.104 -16.942 1.00 0.00 C ATOM 565 CG ARG A 41 7.525 15.894 -17.610 1.00 0.00 C ATOM 566 CD ARG A 41 6.477 14.858 -18.022 1.00 0.00 C ATOM 567 NE ARG A 41 5.951 15.178 -19.368 1.00 0.00 N ATOM 568 CZ ARG A 41 6.650 15.035 -20.501 1.00 0.00 C ATOM 569 NH1 ARG A 41 7.909 14.577 -20.459 1.00 0.00 N ATOM 570 NH2 ARG A 41 6.092 15.350 -21.678 1.00 0.00 N ATOM 0 H ARG A 41 6.235 18.701 -15.146 1.00 0.00 H new ATOM 0 HA ARG A 41 5.134 16.251 -16.006 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.199 17.595 -17.648 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.632 17.832 -16.668 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.085 16.218 -18.487 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.241 15.440 -16.925 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.919 13.862 -18.023 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.662 14.845 -17.298 1.00 0.00 H new ATOM 0 HE ARG A 41 4.996 15.530 -19.437 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.335 14.337 -19.564 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.441 14.468 -21.322 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.134 15.699 -21.711 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.625 15.241 -22.541 1.00 0.00 H new ATOM 584 N PRO A 42 7.845 16.156 -14.092 1.00 0.00 N ATOM 585 CA PRO A 42 8.690 15.285 -13.293 1.00 0.00 C ATOM 586 C PRO A 42 7.916 14.710 -12.105 1.00 0.00 C ATOM 587 O PRO A 42 8.337 13.722 -11.505 1.00 0.00 O ATOM 588 CB PRO A 42 9.864 16.154 -12.872 1.00 0.00 C ATOM 589 CG PRO A 42 9.407 17.592 -13.058 1.00 0.00 C ATOM 590 CD PRO A 42 8.140 17.573 -13.896 1.00 0.00 C ATOM 0 HA PRO A 42 9.036 14.412 -13.846 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.139 15.963 -11.835 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.744 15.942 -13.479 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.219 18.061 -12.092 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.182 18.178 -13.551 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.321 18.081 -13.387 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.288 18.082 -14.848 1.00 0.00 H new ATOM 598 N VAL A 43 6.799 15.354 -11.801 1.00 0.00 N ATOM 599 CA VAL A 43 5.962 14.918 -10.695 1.00 0.00 C ATOM 600 C VAL A 43 5.472 13.494 -10.962 1.00 0.00 C ATOM 601 O VAL A 43 5.240 12.728 -10.028 1.00 0.00 O ATOM 602 CB VAL A 43 4.820 15.914 -10.480 1.00 0.00 C ATOM 603 CG1 VAL A 43 3.863 15.423 -9.392 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.361 17.305 -10.147 1.00 0.00 C ATOM 0 H VAL A 43 6.454 16.174 -12.300 1.00 0.00 H new ATOM 0 HA VAL A 43 6.535 14.895 -9.768 1.00 0.00 H new ATOM 0 HB VAL A 43 4.259 15.987 -11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.061 16.149 -9.259 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.439 14.463 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.407 15.307 -8.454 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.529 17.993 -9.999 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.957 17.255 -9.236 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.983 17.660 -10.969 1.00 0.00 H new ATOM 614 N LEU A 44 5.327 13.182 -12.242 1.00 0.00 N ATOM 615 CA LEU A 44 4.869 11.863 -12.643 1.00 0.00 C ATOM 616 C LEU A 44 5.860 10.809 -12.145 1.00 0.00 C ATOM 617 O LEU A 44 5.459 9.731 -11.711 1.00 0.00 O ATOM 618 CB LEU A 44 4.629 11.816 -14.154 1.00 0.00 C ATOM 619 CG LEU A 44 3.272 11.269 -14.600 1.00 0.00 C ATOM 620 CD1 LEU A 44 2.828 11.909 -15.917 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.298 9.741 -14.686 1.00 0.00 C ATOM 0 H LEU A 44 5.519 13.820 -13.014 1.00 0.00 H new ATOM 0 HA LEU A 44 3.907 11.638 -12.183 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.740 12.825 -14.551 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.411 11.207 -14.607 1.00 0.00 H new ATOM 0 HG LEU A 44 2.532 11.537 -13.846 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.860 11.502 -16.211 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.744 12.988 -15.787 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.563 11.693 -16.692 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.321 9.378 -15.005 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.054 9.430 -15.407 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.537 9.326 -13.707 1.00 0.00 H new ATOM 633 N GLN A 45 7.136 11.159 -12.225 1.00 0.00 N ATOM 634 CA GLN A 45 8.187 10.257 -11.788 1.00 0.00 C ATOM 635 C GLN A 45 8.011 9.913 -10.307 1.00 0.00 C ATOM 636 O GLN A 45 8.362 8.817 -9.875 1.00 0.00 O ATOM 637 CB GLN A 45 9.570 10.858 -12.050 1.00 0.00 C ATOM 638 CG GLN A 45 10.674 9.837 -11.768 1.00 0.00 C ATOM 639 CD GLN A 45 11.773 9.912 -12.830 1.00 0.00 C ATOM 640 OE1 GLN A 45 11.584 10.423 -13.921 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.930 9.376 -12.450 1.00 0.00 N ATOM 0 H GLN A 45 7.465 12.055 -12.586 1.00 0.00 H new ATOM 0 HA GLN A 45 8.111 9.336 -12.366 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.635 11.192 -13.085 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.713 11.737 -11.422 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.102 10.021 -10.783 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.250 8.833 -11.748 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.021 8.964 -11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.726 9.377 -13.087 1.00 0.00 H new ATOM 650 N THR A 46 7.466 10.871 -9.571 1.00 0.00 N ATOM 651 CA THR A 46 7.238 10.683 -8.149 1.00 0.00 C ATOM 652 C THR A 46 6.075 9.716 -7.918 1.00 0.00 C ATOM 653 O THR A 46 6.087 8.943 -6.961 1.00 0.00 O ATOM 654 CB THR A 46 7.017 12.061 -7.520 1.00 0.00 C ATOM 655 OG1 THR A 46 7.644 11.964 -6.244 1.00 0.00 O ATOM 656 CG2 THR A 46 5.545 12.326 -7.193 1.00 0.00 C ATOM 0 H THR A 46 7.176 11.779 -9.933 1.00 0.00 H new ATOM 0 HA THR A 46 8.101 10.224 -7.667 1.00 0.00 H new ATOM 0 HB THR A 46 7.383 12.833 -8.197 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.550 12.815 -5.768 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.443 13.316 -6.749 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.954 12.276 -8.108 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.188 11.575 -6.489 1.00 0.00 H new ATOM 664 N THR A 47 5.099 9.791 -8.810 1.00 0.00 N ATOM 665 CA THR A 47 3.931 8.932 -8.716 1.00 0.00 C ATOM 666 C THR A 47 4.288 7.500 -9.120 1.00 0.00 C ATOM 667 O THR A 47 3.703 6.544 -8.615 1.00 0.00 O ATOM 668 CB THR A 47 2.821 9.546 -9.571 1.00 0.00 C ATOM 669 OG1 THR A 47 3.233 9.288 -10.911 1.00 0.00 O ATOM 670 CG2 THR A 47 2.788 11.073 -9.479 1.00 0.00 C ATOM 0 H THR A 47 5.093 10.434 -9.602 1.00 0.00 H new ATOM 0 HA THR A 47 3.571 8.866 -7.689 1.00 0.00 H new ATOM 0 HB THR A 47 1.857 9.143 -9.260 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.207 9.373 -10.976 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.982 11.458 -10.104 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.619 11.372 -8.444 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.739 11.479 -9.823 1.00 0.00 H new ATOM 678 N MET A 48 5.247 7.398 -10.028 1.00 0.00 N ATOM 679 CA MET A 48 5.690 6.099 -10.507 1.00 0.00 C ATOM 680 C MET A 48 6.403 5.321 -9.399 1.00 0.00 C ATOM 681 O MET A 48 6.192 4.119 -9.246 1.00 0.00 O ATOM 682 CB MET A 48 6.639 6.287 -11.692 1.00 0.00 C ATOM 683 CG MET A 48 5.994 5.807 -12.993 1.00 0.00 C ATOM 684 SD MET A 48 7.098 6.097 -14.365 1.00 0.00 S ATOM 685 CE MET A 48 6.026 5.657 -15.723 1.00 0.00 C ATOM 0 H MET A 48 5.730 8.194 -10.445 1.00 0.00 H new ATOM 0 HA MET A 48 4.814 5.530 -10.820 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.909 7.339 -11.783 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.562 5.735 -11.514 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.760 4.745 -12.922 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.052 6.331 -13.156 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.561 5.781 -16.664 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.713 4.618 -15.618 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.148 6.303 -15.717 1.00 0.00 H new ATOM 695 N PHE A 49 7.232 6.038 -8.656 1.00 0.00 N ATOM 696 CA PHE A 49 7.978 5.430 -7.567 1.00 0.00 C ATOM 697 C PHE A 49 7.065 5.133 -6.376 1.00 0.00 C ATOM 698 O PHE A 49 7.284 4.168 -5.646 1.00 0.00 O ATOM 699 CB PHE A 49 9.045 6.438 -7.138 1.00 0.00 C ATOM 700 CG PHE A 49 10.466 5.870 -7.117 1.00 0.00 C ATOM 701 CD1 PHE A 49 11.051 5.461 -8.275 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.143 5.774 -5.942 1.00 0.00 C ATOM 703 CE1 PHE A 49 12.369 4.933 -8.256 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.461 5.247 -5.923 1.00 0.00 C ATOM 705 CZ PHE A 49 13.047 4.837 -7.080 1.00 0.00 C ATOM 0 H PHE A 49 7.404 7.035 -8.786 1.00 0.00 H new ATOM 0 HA PHE A 49 8.417 4.489 -7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.016 7.292 -7.815 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.799 6.811 -6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.513 5.538 -9.208 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.678 6.099 -5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.833 4.608 -9.175 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.999 5.172 -4.989 1.00 0.00 H new ATOM 0 HZ PHE A 49 14.050 4.436 -7.065 1.00 0.00 H new ATOM 715 N ILE A 50 6.060 5.982 -6.215 1.00 0.00 N ATOM 716 CA ILE A 50 5.113 5.823 -5.125 1.00 0.00 C ATOM 717 C ILE A 50 4.154 4.676 -5.451 1.00 0.00 C ATOM 718 O ILE A 50 3.686 3.979 -4.552 1.00 0.00 O ATOM 719 CB ILE A 50 4.408 7.149 -4.830 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.625 7.573 -3.376 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.923 7.072 -5.190 1.00 0.00 C ATOM 722 CD1 ILE A 50 6.009 8.196 -3.187 1.00 0.00 C ATOM 0 H ILE A 50 5.881 6.782 -6.822 1.00 0.00 H new ATOM 0 HA ILE A 50 5.633 5.553 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 50 4.852 7.920 -5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.857 8.289 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.519 6.708 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.445 8.027 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.817 6.849 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.447 6.285 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.137 8.488 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.775 7.469 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.102 9.075 -3.825 1.00 0.00 H new ATOM 734 N GLY A 51 3.890 4.516 -6.740 1.00 0.00 N ATOM 735 CA GLY A 51 2.996 3.466 -7.196 1.00 0.00 C ATOM 736 C GLY A 51 3.554 2.083 -6.853 1.00 0.00 C ATOM 737 O GLY A 51 2.865 1.265 -6.247 1.00 0.00 O ATOM 0 H GLY A 51 4.280 5.096 -7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.017 3.592 -6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.853 3.547 -8.274 1.00 0.00 H new ATOM 741 N VAL A 52 4.797 1.865 -7.257 1.00 0.00 N ATOM 742 CA VAL A 52 5.456 0.596 -7.000 1.00 0.00 C ATOM 743 C VAL A 52 5.478 0.333 -5.493 1.00 0.00 C ATOM 744 O VAL A 52 5.095 -0.745 -5.042 1.00 0.00 O ATOM 745 CB VAL A 52 6.851 0.594 -7.628 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.467 -0.806 -7.590 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.809 1.136 -9.058 1.00 0.00 C ATOM 0 H VAL A 52 5.365 2.546 -7.761 1.00 0.00 H new ATOM 0 HA VAL A 52 4.904 -0.221 -7.464 1.00 0.00 H new ATOM 0 HB VAL A 52 7.485 1.255 -7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.458 -0.780 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.549 -1.139 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.833 -1.498 -8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.813 1.124 -9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.152 0.512 -9.664 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.432 2.159 -9.049 1.00 0.00 H new ATOM 757 N ALA A 53 5.931 1.337 -4.757 1.00 0.00 N ATOM 758 CA ALA A 53 6.008 1.228 -3.310 1.00 0.00 C ATOM 759 C ALA A 53 4.638 0.828 -2.759 1.00 0.00 C ATOM 760 O ALA A 53 4.548 0.013 -1.842 1.00 0.00 O ATOM 761 CB ALA A 53 6.509 2.550 -2.724 1.00 0.00 C ATOM 0 H ALA A 53 6.248 2.230 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 53 6.718 0.453 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.567 2.468 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.498 2.774 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.820 3.351 -2.991 1.00 0.00 H new ATOM 767 N LEU A 54 3.606 1.420 -3.341 1.00 0.00 N ATOM 768 CA LEU A 54 2.245 1.136 -2.919 1.00 0.00 C ATOM 769 C LEU A 54 1.928 -0.336 -3.193 1.00 0.00 C ATOM 770 O LEU A 54 1.088 -0.930 -2.518 1.00 0.00 O ATOM 771 CB LEU A 54 1.265 2.109 -3.578 1.00 0.00 C ATOM 772 CG LEU A 54 0.403 1.533 -4.704 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.859 0.873 -4.145 1.00 0.00 C ATOM 774 CD2 LEU A 54 0.076 2.604 -5.746 1.00 0.00 C ATOM 0 H LEU A 54 3.685 2.095 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 54 2.139 1.292 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.604 2.505 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.832 2.951 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 54 0.976 0.756 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.454 0.472 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.578 0.064 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.445 1.613 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.537 2.169 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.469 3.420 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.001 2.988 -6.176 1.00 0.00 H new ATOM 786 N VAL A 55 2.616 -0.882 -4.185 1.00 0.00 N ATOM 787 CA VAL A 55 2.419 -2.272 -4.557 1.00 0.00 C ATOM 788 C VAL A 55 3.248 -3.166 -3.632 1.00 0.00 C ATOM 789 O VAL A 55 2.904 -4.326 -3.411 1.00 0.00 O ATOM 790 CB VAL A 55 2.752 -2.471 -6.037 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.073 -3.937 -6.334 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.615 -1.968 -6.927 1.00 0.00 C ATOM 0 H VAL A 55 3.311 -0.386 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 55 1.374 -2.556 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 55 3.640 -1.881 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.306 -4.051 -7.393 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.930 -4.250 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.212 -4.556 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.877 -2.121 -7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.703 -2.518 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.453 -0.905 -6.745 1.00 0.00 H new ATOM 802 N GLU A 56 4.324 -2.591 -3.116 1.00 0.00 N ATOM 803 CA GLU A 56 5.205 -3.321 -2.220 1.00 0.00 C ATOM 804 C GLU A 56 4.553 -3.478 -0.845 1.00 0.00 C ATOM 805 O GLU A 56 5.127 -4.093 0.052 1.00 0.00 O ATOM 806 CB GLU A 56 6.566 -2.630 -2.105 1.00 0.00 C ATOM 807 CG GLU A 56 7.642 -3.408 -2.864 1.00 0.00 C ATOM 808 CD GLU A 56 9.017 -2.764 -2.680 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.475 -2.726 -1.518 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.579 -2.324 -3.706 1.00 0.00 O ATOM 0 H GLU A 56 4.606 -1.628 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 56 5.372 -4.314 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.498 -1.617 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.847 -2.544 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.669 -4.438 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.391 -3.442 -3.924 1.00 0.00 H new ATOM 817 N ALA A 57 3.361 -2.911 -0.723 1.00 0.00 N ATOM 818 CA ALA A 57 2.624 -2.980 0.528 1.00 0.00 C ATOM 819 C ALA A 57 1.784 -4.259 0.549 1.00 0.00 C ATOM 820 O ALA A 57 1.355 -4.706 1.612 1.00 0.00 O ATOM 821 CB ALA A 57 1.773 -1.720 0.689 1.00 0.00 C ATOM 0 H ALA A 57 2.888 -2.402 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 57 3.308 -3.021 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.220 -1.772 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.420 -0.843 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.071 -1.646 -0.142 1.00 0.00 H new ATOM 827 N LEU A 58 1.574 -4.810 -0.637 1.00 0.00 N ATOM 828 CA LEU A 58 0.792 -6.028 -0.768 1.00 0.00 C ATOM 829 C LEU A 58 1.575 -7.198 -0.168 1.00 0.00 C ATOM 830 O LEU A 58 1.059 -7.926 0.678 1.00 0.00 O ATOM 831 CB LEU A 58 0.380 -6.246 -2.225 1.00 0.00 C ATOM 832 CG LEU A 58 -1.066 -6.693 -2.453 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.050 -5.713 -1.811 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.348 -6.895 -3.943 1.00 0.00 C ATOM 0 H LEU A 58 1.932 -4.436 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.139 -5.946 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.543 -5.317 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.043 -6.992 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.207 -7.657 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.070 -6.054 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.865 -5.662 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.917 -4.724 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.382 -7.212 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.184 -5.958 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.679 -7.659 -4.340 1.00 0.00 H new ATOM 846 N PRO A 59 2.841 -7.346 -0.643 1.00 0.00 N ATOM 847 CA PRO A 59 3.700 -8.415 -0.163 1.00 0.00 C ATOM 848 C PRO A 59 4.225 -8.108 1.241 1.00 0.00 C ATOM 849 O PRO A 59 4.462 -9.020 2.032 1.00 0.00 O ATOM 850 CB PRO A 59 4.806 -8.526 -1.200 1.00 0.00 C ATOM 851 CG PRO A 59 4.786 -7.217 -1.972 1.00 0.00 C ATOM 852 CD PRO A 59 3.485 -6.503 -1.645 1.00 0.00 C ATOM 0 HA PRO A 59 3.173 -9.364 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.774 -8.684 -0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.635 -9.374 -1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.640 -6.599 -1.697 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.860 -7.404 -3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.670 -5.500 -1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.860 -6.393 -2.531 1.00 0.00 H new ATOM 860 N ILE A 60 4.391 -6.821 1.508 1.00 0.00 N ATOM 861 CA ILE A 60 4.884 -6.382 2.802 1.00 0.00 C ATOM 862 C ILE A 60 3.828 -6.674 3.870 1.00 0.00 C ATOM 863 O ILE A 60 4.114 -7.337 4.866 1.00 0.00 O ATOM 864 CB ILE A 60 5.310 -4.914 2.744 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.666 -4.764 2.052 1.00 0.00 C ATOM 866 CG2 ILE A 60 5.305 -4.286 4.139 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.988 -3.291 1.791 1.00 0.00 C ATOM 0 H ILE A 60 4.193 -6.068 0.850 1.00 0.00 H new ATOM 0 HA ILE A 60 5.780 -6.939 3.077 1.00 0.00 H new ATOM 0 HB ILE A 60 4.581 -4.370 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.446 -5.206 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.660 -5.311 1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.612 -3.242 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.301 -4.342 4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.999 -4.826 4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.957 -3.212 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.219 -2.858 1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.017 -2.752 2.738 1.00 0.00 H new ATOM 879 N ILE A 61 2.630 -6.165 3.627 1.00 0.00 N ATOM 880 CA ILE A 61 1.530 -6.363 4.556 1.00 0.00 C ATOM 881 C ILE A 61 1.188 -7.852 4.624 1.00 0.00 C ATOM 882 O ILE A 61 0.939 -8.387 5.704 1.00 0.00 O ATOM 883 CB ILE A 61 0.342 -5.476 4.177 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.748 -4.001 4.142 1.00 0.00 C ATOM 885 CG2 ILE A 61 -0.845 -5.721 5.110 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.513 -3.335 5.499 1.00 0.00 C ATOM 0 H ILE A 61 2.396 -5.616 2.800 1.00 0.00 H new ATOM 0 HA ILE A 61 1.820 -6.056 5.561 1.00 0.00 H new ATOM 0 HB ILE A 61 0.022 -5.746 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.800 -3.916 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.176 -3.481 3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.676 -5.078 4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.152 -6.764 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.554 -5.495 6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.810 -2.288 5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.544 -3.400 5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.105 -3.842 6.261 1.00 0.00 H new ATOM 898 N GLY A 62 1.186 -8.481 3.458 1.00 0.00 N ATOM 899 CA GLY A 62 0.878 -9.898 3.371 1.00 0.00 C ATOM 900 C GLY A 62 1.768 -10.711 4.314 1.00 0.00 C ATOM 901 O GLY A 62 1.333 -11.717 4.871 1.00 0.00 O ATOM 0 H GLY A 62 1.393 -8.034 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.170 -10.062 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.018 -10.242 2.346 1.00 0.00 H new ATOM 905 N VAL A 63 2.999 -10.243 4.463 1.00 0.00 N ATOM 906 CA VAL A 63 3.954 -10.914 5.329 1.00 0.00 C ATOM 907 C VAL A 63 3.590 -10.642 6.790 1.00 0.00 C ATOM 908 O VAL A 63 3.768 -11.505 7.648 1.00 0.00 O ATOM 909 CB VAL A 63 5.377 -10.476 4.976 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.394 -11.083 5.945 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.718 -10.834 3.528 1.00 0.00 C ATOM 0 H VAL A 63 3.357 -9.408 3.999 1.00 0.00 H new ATOM 0 HA VAL A 63 3.913 -11.993 5.179 1.00 0.00 H new ATOM 0 HB VAL A 63 5.427 -9.392 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.397 -10.756 5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.170 -10.756 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.341 -12.171 5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.735 -10.512 3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.641 -11.913 3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.022 -10.333 2.856 1.00 0.00 H new ATOM 921 N VAL A 64 3.087 -9.440 7.028 1.00 0.00 N ATOM 922 CA VAL A 64 2.696 -9.044 8.370 1.00 0.00 C ATOM 923 C VAL A 64 1.589 -9.975 8.870 1.00 0.00 C ATOM 924 O VAL A 64 1.729 -10.605 9.916 1.00 0.00 O ATOM 925 CB VAL A 64 2.289 -7.569 8.383 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.432 -7.248 9.609 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.518 -6.660 8.319 1.00 0.00 C ATOM 0 H VAL A 64 2.941 -8.727 6.314 1.00 0.00 H new ATOM 0 HA VAL A 64 3.537 -9.141 9.057 1.00 0.00 H new ATOM 0 HB VAL A 64 1.687 -7.380 7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.156 -6.194 9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.530 -7.859 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.999 -7.462 10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.200 -5.617 8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.159 -6.853 9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.072 -6.861 7.402 1.00 0.00 H new ATOM 937 N PHE A 65 0.514 -10.031 8.098 1.00 0.00 N ATOM 938 CA PHE A 65 -0.616 -10.874 8.449 1.00 0.00 C ATOM 939 C PHE A 65 -0.164 -12.309 8.729 1.00 0.00 C ATOM 940 O PHE A 65 -0.578 -12.912 9.717 1.00 0.00 O ATOM 941 CB PHE A 65 -1.563 -10.876 7.247 1.00 0.00 C ATOM 942 CG PHE A 65 -1.703 -12.239 6.566 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.245 -13.285 7.245 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.284 -12.404 5.283 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.375 -14.550 6.613 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.413 -13.669 4.651 1.00 0.00 C ATOM 947 CZ PHE A 65 -1.956 -14.716 5.330 1.00 0.00 C ATOM 0 H PHE A 65 0.402 -9.506 7.231 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.100 -10.492 9.348 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.548 -10.542 7.573 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.206 -10.151 6.515 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.576 -13.154 8.264 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.853 -11.573 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.807 -15.381 7.152 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.080 -13.800 3.632 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.054 -15.678 4.850 1.00 0.00 H new ATOM 957 N SER A 66 0.680 -12.813 7.840 1.00 0.00 N ATOM 958 CA SER A 66 1.193 -14.166 7.979 1.00 0.00 C ATOM 959 C SER A 66 1.970 -14.298 9.290 1.00 0.00 C ATOM 960 O SER A 66 1.903 -15.332 9.953 1.00 0.00 O ATOM 961 CB SER A 66 2.084 -14.541 6.794 1.00 0.00 C ATOM 962 OG SER A 66 3.454 -14.238 7.039 1.00 0.00 O ATOM 0 H SER A 66 1.021 -12.309 7.021 1.00 0.00 H new ATOM 0 HA SER A 66 0.347 -14.853 7.994 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.980 -15.606 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.748 -14.007 5.905 1.00 0.00 H new ATOM 0 HG SER A 66 3.548 -13.282 7.232 1.00 0.00 H new ATOM 968 N PHE A 67 2.688 -13.237 9.625 1.00 0.00 N ATOM 969 CA PHE A 67 3.477 -13.222 10.846 1.00 0.00 C ATOM 970 C PHE A 67 2.577 -13.269 12.081 1.00 0.00 C ATOM 971 O PHE A 67 2.937 -13.866 13.095 1.00 0.00 O ATOM 972 CB PHE A 67 4.265 -11.911 10.853 1.00 0.00 C ATOM 973 CG PHE A 67 5.776 -12.092 10.689 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.276 -12.630 9.545 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.618 -11.714 11.688 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.678 -12.797 9.393 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.020 -11.882 11.536 1.00 0.00 C ATOM 978 CZ PHE A 67 8.520 -12.420 10.392 1.00 0.00 C ATOM 0 H PHE A 67 2.740 -12.381 9.073 1.00 0.00 H new ATOM 0 HA PHE A 67 4.134 -14.092 10.875 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.897 -11.273 10.050 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.072 -11.388 11.789 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.607 -12.930 8.752 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.221 -11.286 12.597 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.076 -13.223 8.484 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.689 -11.582 12.329 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.586 -12.548 10.277 1.00 0.00 H new ATOM 988 N ILE A 68 1.422 -12.631 11.957 1.00 0.00 N ATOM 989 CA ILE A 68 0.467 -12.593 13.052 1.00 0.00 C ATOM 990 C ILE A 68 0.102 -14.023 13.455 1.00 0.00 C ATOM 991 O ILE A 68 0.232 -14.394 14.621 1.00 0.00 O ATOM 992 CB ILE A 68 -0.742 -11.732 12.678 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.576 -10.301 13.193 1.00 0.00 C ATOM 994 CG2 ILE A 68 -2.043 -12.371 13.168 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.714 -9.673 12.662 1.00 0.00 C ATOM 0 H ILE A 68 1.126 -12.136 11.115 1.00 0.00 H new ATOM 0 HA ILE A 68 0.910 -12.118 13.927 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.800 -11.678 11.591 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.431 -9.699 12.886 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.562 -10.302 14.283 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.886 -11.739 12.889 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.160 -13.354 12.712 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.011 -12.476 14.252 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.807 -8.656 13.043 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.569 -10.264 12.991 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.686 -9.651 11.573 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.346 -14.786 12.470 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.730 -16.167 12.708 1.00 0.00 C ATOM 1009 C TYR A 69 0.382 -16.928 13.431 1.00 0.00 C ATOM 1010 O TYR A 69 0.115 -17.689 14.360 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.943 -16.789 11.327 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.646 -18.148 11.358 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.748 -18.336 12.167 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -1.178 -19.185 10.578 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -3.409 -19.615 12.197 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -1.839 -20.464 10.607 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.922 -20.616 11.416 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.546 -21.824 11.443 1.00 0.00 O ATOM 0 H TYR A 69 -0.452 -14.474 11.505 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.623 -16.215 13.331 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.529 -16.102 10.717 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.024 -16.903 10.838 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.115 -17.524 12.778 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.315 -19.038 9.945 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.272 -19.776 12.826 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.483 -21.284 10.000 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.089 -22.442 10.835 1.00 0.00 H new ATOM 1028 N LEU A 70 1.605 -16.697 12.978 1.00 0.00 N ATOM 1029 CA LEU A 70 2.759 -17.352 13.571 1.00 0.00 C ATOM 1030 C LEU A 70 2.810 -17.030 15.066 1.00 0.00 C ATOM 1031 O LEU A 70 3.467 -17.733 15.833 1.00 0.00 O ATOM 1032 CB LEU A 70 4.036 -16.974 12.817 1.00 0.00 C ATOM 1033 CG LEU A 70 5.103 -18.065 12.716 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.078 -18.732 11.339 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.488 -17.511 13.059 1.00 0.00 C ATOM 0 H LEU A 70 1.822 -16.065 12.207 1.00 0.00 H new ATOM 0 HA LEU A 70 2.671 -18.435 13.480 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.761 -16.668 11.808 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.478 -16.105 13.304 1.00 0.00 H new ATOM 0 HG LEU A 70 4.873 -18.836 13.451 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.847 -19.504 11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.100 -19.184 11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.269 -17.985 10.569 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.228 -18.307 12.980 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.741 -16.709 12.365 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.482 -17.121 14.077 1.00 0.00 H new ATOM 1047 N GLY A 71 2.108 -15.969 15.435 1.00 0.00 N ATOM 1048 CA GLY A 71 2.065 -15.546 16.824 1.00 0.00 C ATOM 1049 C GLY A 71 2.729 -14.179 17.002 1.00 0.00 C ATOM 1050 O GLY A 71 3.103 -13.807 18.113 1.00 0.00 O ATOM 0 H GLY A 71 1.564 -15.389 14.796 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.030 -15.498 17.161 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.570 -16.283 17.448 1.00 0.00 H new ATOM 1054 N ARG A 72 2.854 -13.469 15.891 1.00 0.00 N ATOM 1055 CA ARG A 72 3.465 -12.151 15.910 1.00 0.00 C ATOM 1056 C ARG A 72 2.455 -11.090 15.468 1.00 0.00 C ATOM 1057 O ARG A 72 1.770 -10.496 16.299 1.00 0.00 O ATOM 1058 CB ARG A 72 4.687 -12.097 14.991 1.00 0.00 C ATOM 1059 CG ARG A 72 5.985 -12.156 15.799 1.00 0.00 C ATOM 1060 CD ARG A 72 6.914 -13.247 15.263 1.00 0.00 C ATOM 1061 NE ARG A 72 7.810 -13.722 16.341 1.00 0.00 N ATOM 1062 CZ ARG A 72 7.438 -14.574 17.307 1.00 0.00 C ATOM 1063 NH1 ARG A 72 6.185 -15.049 17.335 1.00 0.00 N ATOM 1064 NH2 ARG A 72 8.319 -14.950 18.244 1.00 0.00 N ATOM 0 H ARG A 72 2.543 -13.781 14.971 1.00 0.00 H new ATOM 0 HA ARG A 72 3.784 -11.949 16.932 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.654 -12.929 14.288 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.663 -11.180 14.402 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.489 -11.190 15.756 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.757 -12.350 16.847 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.326 -14.079 14.874 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.504 -12.859 14.433 1.00 0.00 H new ATOM 0 HE ARG A 72 8.771 -13.380 16.350 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.515 -14.762 16.622 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.902 -15.697 18.070 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.272 -14.588 18.222 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.036 -15.598 18.979 1.00 0.00 H new TER 1078 ARG A 72