USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 481 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+ 157:sc= 0.113 (180deg=-0.246!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0593 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 78:sc= 0.265! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 149:sc= -0.199 (180deg=-1.05) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= -0.0596 (180deg=-0.114) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 52 HIS : no HD1:sc= -0.233 X(o=-0.23,f=0.018) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.336 F(o=-2.6!,f=-0.34) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-0.93) USER MOD Single : A 56 HIS : no HE2:sc= -2.04! C(o=-2!,f=-3.8!) USER MOD Single : A 57 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.248 -33.067 -9.694 1.00 0.00 N ATOM 2 CA MET A 1 20.341 -33.369 -10.795 1.00 0.00 C ATOM 3 C MET A 1 18.891 -33.309 -10.326 1.00 0.00 C ATOM 4 O MET A 1 18.128 -32.440 -10.747 1.00 0.00 O ATOM 5 CB MET A 1 20.644 -34.761 -11.353 1.00 0.00 C ATOM 6 CG MET A 1 22.067 -34.788 -11.912 1.00 0.00 C ATOM 7 SD MET A 1 23.251 -34.768 -10.542 1.00 0.00 S ATOM 8 CE MET A 1 24.708 -35.262 -11.497 1.00 0.00 C ATOM 0 H1 MET A 1 22.184 -33.475 -9.893 1.00 0.00 H new ATOM 0 H2 MET A 1 21.335 -32.036 -9.589 1.00 0.00 H new ATOM 0 H3 MET A 1 20.873 -33.474 -8.814 1.00 0.00 H new ATOM 0 HA MET A 1 20.488 -32.625 -11.578 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.536 -35.510 -10.569 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.929 -35.014 -12.136 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.214 -35.680 -12.521 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.231 -33.928 -12.562 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.574 -35.315 -10.838 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.534 -36.240 -11.947 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.894 -34.529 -12.282 1.00 0.00 H new ATOM 18 N THR A 2 18.518 -34.238 -9.452 1.00 0.00 N ATOM 19 CA THR A 2 17.155 -34.279 -8.933 1.00 0.00 C ATOM 20 C THR A 2 17.041 -33.443 -7.663 1.00 0.00 C ATOM 21 O THR A 2 16.024 -32.788 -7.429 1.00 0.00 O ATOM 22 CB THR A 2 16.751 -35.724 -8.633 1.00 0.00 C ATOM 23 OG1 THR A 2 17.889 -36.450 -8.192 1.00 0.00 O ATOM 24 CG2 THR A 2 16.188 -36.371 -9.899 1.00 0.00 C ATOM 0 H THR A 2 19.134 -34.967 -9.091 1.00 0.00 H new ATOM 0 HA THR A 2 16.487 -33.866 -9.689 1.00 0.00 H new ATOM 0 HB THR A 2 15.989 -35.735 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 2 17.632 -37.375 -7.998 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.900 -37.400 -9.685 1.00 0.00 H new ATOM 0 HG22 THR A 2 15.314 -35.813 -10.235 1.00 0.00 H new ATOM 0 HG23 THR A 2 16.947 -36.362 -10.681 1.00 0.00 H new ATOM 32 N TYR A 3 18.089 -33.470 -6.846 1.00 0.00 N ATOM 33 CA TYR A 3 18.092 -32.708 -5.602 1.00 0.00 C ATOM 34 C TYR A 3 17.664 -31.267 -5.858 1.00 0.00 C ATOM 35 O TYR A 3 17.379 -30.519 -4.924 1.00 0.00 O ATOM 36 CB TYR A 3 19.492 -32.727 -4.980 1.00 0.00 C ATOM 37 CG TYR A 3 19.490 -33.606 -3.751 1.00 0.00 C ATOM 38 CD1 TYR A 3 19.166 -33.063 -2.502 1.00 0.00 C ATOM 39 CD2 TYR A 3 19.813 -34.963 -3.861 1.00 0.00 C ATOM 40 CE1 TYR A 3 19.164 -33.878 -1.363 1.00 0.00 C ATOM 41 CE2 TYR A 3 19.811 -35.778 -2.724 1.00 0.00 C ATOM 42 CZ TYR A 3 19.487 -35.236 -1.475 1.00 0.00 C ATOM 43 OH TYR A 3 19.486 -36.041 -0.353 1.00 0.00 O ATOM 0 H TYR A 3 18.939 -34.006 -7.020 1.00 0.00 H new ATOM 0 HA TYR A 3 17.384 -33.168 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 3 20.217 -33.099 -5.704 1.00 0.00 H new ATOM 0 HB3 TYR A 3 19.797 -31.715 -4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 3 18.918 -32.015 -2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 3 20.064 -35.382 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 3 18.914 -33.460 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 3 20.059 -36.825 -2.810 1.00 0.00 H new ATOM 0 HH TYR A 3 19.731 -36.955 -0.606 1.00 0.00 H new ATOM 53 N PHE A 4 17.618 -30.886 -7.131 1.00 0.00 N ATOM 54 CA PHE A 4 17.218 -29.532 -7.498 1.00 0.00 C ATOM 55 C PHE A 4 15.699 -29.436 -7.590 1.00 0.00 C ATOM 56 O PHE A 4 15.095 -28.486 -7.093 1.00 0.00 O ATOM 57 CB PHE A 4 17.838 -29.148 -8.843 1.00 0.00 C ATOM 58 CG PHE A 4 18.448 -27.769 -8.745 1.00 0.00 C ATOM 59 CD1 PHE A 4 17.675 -26.638 -9.037 1.00 0.00 C ATOM 60 CD2 PHE A 4 19.786 -27.621 -8.360 1.00 0.00 C ATOM 61 CE1 PHE A 4 18.240 -25.362 -8.944 1.00 0.00 C ATOM 62 CE2 PHE A 4 20.351 -26.344 -8.268 1.00 0.00 C ATOM 63 CZ PHE A 4 19.578 -25.214 -8.560 1.00 0.00 C ATOM 0 H PHE A 4 17.851 -31.490 -7.919 1.00 0.00 H new ATOM 0 HA PHE A 4 17.572 -28.845 -6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 4 18.600 -29.875 -9.124 1.00 0.00 H new ATOM 0 HB3 PHE A 4 17.078 -29.166 -9.624 1.00 0.00 H new ATOM 0 HD1 PHE A 4 16.643 -26.751 -9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 4 20.382 -28.493 -8.134 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.644 -24.490 -9.169 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.383 -26.230 -7.972 1.00 0.00 H new ATOM 0 HZ PHE A 4 20.014 -24.228 -8.489 1.00 0.00 H new ATOM 73 N TYR A 5 15.088 -30.432 -8.225 1.00 0.00 N ATOM 74 CA TYR A 5 13.638 -30.455 -8.373 1.00 0.00 C ATOM 75 C TYR A 5 12.979 -30.853 -7.057 1.00 0.00 C ATOM 76 O TYR A 5 11.919 -30.340 -6.701 1.00 0.00 O ATOM 77 CB TYR A 5 13.241 -31.448 -9.465 1.00 0.00 C ATOM 78 CG TYR A 5 13.003 -30.708 -10.760 1.00 0.00 C ATOM 79 CD1 TYR A 5 11.855 -29.922 -10.916 1.00 0.00 C ATOM 80 CD2 TYR A 5 13.930 -30.809 -11.805 1.00 0.00 C ATOM 81 CE1 TYR A 5 11.634 -29.237 -12.117 1.00 0.00 C ATOM 82 CE2 TYR A 5 13.708 -30.125 -13.005 1.00 0.00 C ATOM 83 CZ TYR A 5 12.561 -29.338 -13.162 1.00 0.00 C ATOM 84 OH TYR A 5 12.343 -28.662 -14.345 1.00 0.00 O ATOM 0 H TYR A 5 15.571 -31.228 -8.642 1.00 0.00 H new ATOM 0 HA TYR A 5 13.300 -29.457 -8.652 1.00 0.00 H new ATOM 0 HB2 TYR A 5 14.027 -32.191 -9.598 1.00 0.00 H new ATOM 0 HB3 TYR A 5 12.340 -31.986 -9.171 1.00 0.00 H new ATOM 0 HD1 TYR A 5 11.140 -29.844 -10.110 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.816 -31.415 -11.684 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.748 -28.631 -12.238 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.422 -30.204 -13.811 1.00 0.00 H new ATOM 0 HH TYR A 5 13.082 -28.839 -14.964 1.00 0.00 H new ATOM 94 N VAL A 6 13.618 -31.770 -6.338 1.00 0.00 N ATOM 95 CA VAL A 6 13.090 -32.235 -5.061 1.00 0.00 C ATOM 96 C VAL A 6 13.085 -31.101 -4.041 1.00 0.00 C ATOM 97 O VAL A 6 12.305 -31.114 -3.088 1.00 0.00 O ATOM 98 CB VAL A 6 13.939 -33.393 -4.536 1.00 0.00 C ATOM 99 CG1 VAL A 6 13.410 -33.839 -3.173 1.00 0.00 C ATOM 100 CG2 VAL A 6 13.865 -34.564 -5.519 1.00 0.00 C ATOM 0 H VAL A 6 14.498 -32.204 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 6 12.066 -32.577 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 6 14.974 -33.067 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.016 -34.665 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.461 -33.006 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.375 -34.165 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.470 -35.391 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.830 -34.889 -5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.243 -34.247 -6.491 1.00 0.00 H new ATOM 110 N THR A 7 13.960 -30.122 -4.248 1.00 0.00 N ATOM 111 CA THR A 7 14.046 -28.984 -3.339 1.00 0.00 C ATOM 112 C THR A 7 12.898 -28.014 -3.592 1.00 0.00 C ATOM 113 O THR A 7 12.164 -27.651 -2.671 1.00 0.00 O ATOM 114 CB THR A 7 15.382 -28.263 -3.531 1.00 0.00 C ATOM 115 OG1 THR A 7 16.445 -29.197 -3.402 1.00 0.00 O ATOM 116 CG2 THR A 7 15.532 -27.169 -2.473 1.00 0.00 C ATOM 0 H THR A 7 14.614 -30.093 -5.030 1.00 0.00 H new ATOM 0 HA THR A 7 13.978 -29.351 -2.315 1.00 0.00 H new ATOM 0 HB THR A 7 15.411 -27.812 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.521 -29.722 -4.226 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.484 -26.657 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.717 -26.452 -2.572 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.502 -27.617 -1.480 1.00 0.00 H new ATOM 124 N ASP A 8 12.745 -27.600 -4.846 1.00 0.00 N ATOM 125 CA ASP A 8 11.677 -26.675 -5.208 1.00 0.00 C ATOM 126 C ASP A 8 10.321 -27.271 -4.862 1.00 0.00 C ATOM 127 O ASP A 8 9.333 -26.556 -4.700 1.00 0.00 O ATOM 128 CB ASP A 8 11.739 -26.358 -6.704 1.00 0.00 C ATOM 129 CG ASP A 8 13.108 -25.789 -7.059 1.00 0.00 C ATOM 130 OD1 ASP A 8 13.973 -25.800 -6.198 1.00 0.00 O ATOM 131 OD2 ASP A 8 13.271 -25.351 -8.185 1.00 0.00 O ATOM 0 H ASP A 8 13.341 -27.887 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 8 11.811 -25.753 -4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.550 -27.261 -7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.959 -25.642 -6.965 1.00 0.00 H new ATOM 136 N TYR A 9 10.292 -28.588 -4.749 1.00 0.00 N ATOM 137 CA TYR A 9 9.060 -29.297 -4.419 1.00 0.00 C ATOM 138 C TYR A 9 8.651 -29.008 -2.978 1.00 0.00 C ATOM 139 O TYR A 9 7.474 -28.801 -2.685 1.00 0.00 O ATOM 140 CB TYR A 9 9.260 -30.802 -4.604 1.00 0.00 C ATOM 141 CG TYR A 9 8.086 -31.384 -5.358 1.00 0.00 C ATOM 142 CD1 TYR A 9 6.884 -31.643 -4.689 1.00 0.00 C ATOM 143 CD2 TYR A 9 8.204 -31.668 -6.724 1.00 0.00 C ATOM 144 CE1 TYR A 9 5.797 -32.185 -5.388 1.00 0.00 C ATOM 145 CE2 TYR A 9 7.118 -32.210 -7.422 1.00 0.00 C ATOM 146 CZ TYR A 9 5.914 -32.468 -6.754 1.00 0.00 C ATOM 147 OH TYR A 9 4.844 -33.003 -7.442 1.00 0.00 O ATOM 0 H TYR A 9 11.105 -29.190 -4.880 1.00 0.00 H new ATOM 0 HA TYR A 9 8.270 -28.952 -5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 9 10.185 -30.991 -5.149 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.358 -31.288 -3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.794 -31.425 -3.635 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.132 -31.469 -7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.869 -32.384 -4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.209 -32.429 -8.476 1.00 0.00 H new ATOM 0 HH TYR A 9 5.093 -33.138 -8.380 1.00 0.00 H new ATOM 157 N LEU A 10 9.635 -28.994 -2.082 1.00 0.00 N ATOM 158 CA LEU A 10 9.368 -28.728 -0.673 1.00 0.00 C ATOM 159 C LEU A 10 9.185 -27.232 -0.439 1.00 0.00 C ATOM 160 O LEU A 10 9.258 -26.758 0.694 1.00 0.00 O ATOM 161 CB LEU A 10 10.527 -29.238 0.186 1.00 0.00 C ATOM 162 CG LEU A 10 10.218 -30.650 0.692 1.00 0.00 C ATOM 163 CD1 LEU A 10 10.387 -31.651 -0.452 1.00 0.00 C ATOM 164 CD2 LEU A 10 11.184 -31.004 1.824 1.00 0.00 C ATOM 0 H LEU A 10 10.616 -29.162 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 10 8.452 -29.247 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.448 -29.245 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.689 -28.567 1.030 1.00 0.00 H new ATOM 0 HG LEU A 10 9.193 -30.689 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.167 -32.656 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.702 -31.398 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.412 -31.614 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.967 -32.009 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.208 -30.965 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.066 -30.290 2.640 1.00 0.00 H new ATOM 176 N ASP A 11 8.945 -26.493 -1.517 1.00 0.00 N ATOM 177 CA ASP A 11 8.751 -25.055 -1.415 1.00 0.00 C ATOM 178 C ASP A 11 7.570 -24.618 -2.273 1.00 0.00 C ATOM 179 O ASP A 11 7.509 -24.921 -3.465 1.00 0.00 O ATOM 180 CB ASP A 11 10.015 -24.324 -1.869 1.00 0.00 C ATOM 181 CG ASP A 11 10.884 -23.987 -0.662 1.00 0.00 C ATOM 182 OD1 ASP A 11 11.416 -24.909 -0.064 1.00 0.00 O ATOM 183 OD2 ASP A 11 11.005 -22.813 -0.352 1.00 0.00 O ATOM 0 H ASP A 11 8.881 -26.865 -2.465 1.00 0.00 H new ATOM 0 HA ASP A 11 8.544 -24.805 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.574 -24.947 -2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.746 -23.411 -2.400 1.00 0.00 H new ATOM 188 N VAL A 12 6.637 -23.906 -1.657 1.00 0.00 N ATOM 189 CA VAL A 12 5.457 -23.430 -2.369 1.00 0.00 C ATOM 190 C VAL A 12 5.864 -22.656 -3.619 1.00 0.00 C ATOM 191 O VAL A 12 6.942 -22.065 -3.674 1.00 0.00 O ATOM 192 CB VAL A 12 4.623 -22.531 -1.455 1.00 0.00 C ATOM 193 CG1 VAL A 12 3.761 -23.396 -0.535 1.00 0.00 C ATOM 194 CG2 VAL A 12 5.555 -21.659 -0.609 1.00 0.00 C ATOM 0 H VAL A 12 6.672 -23.646 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 12 4.861 -24.293 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 12 3.979 -21.894 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.167 -22.755 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.097 -24.017 -1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.404 -24.034 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.961 -21.018 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.199 -22.296 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.169 -21.041 -1.264 1.00 0.00 H new ATOM 204 N PRO A 13 5.022 -22.657 -4.616 1.00 0.00 N ATOM 205 CA PRO A 13 5.288 -21.946 -5.900 1.00 0.00 C ATOM 206 C PRO A 13 5.262 -20.430 -5.733 1.00 0.00 C ATOM 207 O PRO A 13 4.374 -19.882 -5.079 1.00 0.00 O ATOM 208 CB PRO A 13 4.156 -22.414 -6.821 1.00 0.00 C ATOM 209 CG PRO A 13 3.057 -22.857 -5.914 1.00 0.00 C ATOM 210 CD PRO A 13 3.718 -23.338 -4.622 1.00 0.00 C ATOM 0 HA PRO A 13 6.280 -22.171 -6.292 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.824 -21.607 -7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.486 -23.230 -7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.367 -22.037 -5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.476 -23.657 -6.372 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.125 -23.072 -3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.833 -24.422 -4.612 1.00 0.00 H new ATOM 218 N SER A 14 6.244 -19.757 -6.325 1.00 0.00 N ATOM 219 CA SER A 14 6.322 -18.304 -6.233 1.00 0.00 C ATOM 220 C SER A 14 4.952 -17.680 -6.470 1.00 0.00 C ATOM 221 O SER A 14 4.734 -16.503 -6.177 1.00 0.00 O ATOM 222 CB SER A 14 7.318 -17.765 -7.259 1.00 0.00 C ATOM 223 OG SER A 14 6.668 -17.625 -8.515 1.00 0.00 O ATOM 0 H SER A 14 6.990 -20.190 -6.869 1.00 0.00 H new ATOM 0 HA SER A 14 6.661 -18.040 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.711 -16.803 -6.931 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.167 -18.442 -7.349 1.00 0.00 H new ATOM 0 HG SER A 14 7.303 -17.278 -9.175 1.00 0.00 H new ATOM 229 N ASN A 15 4.029 -18.478 -6.992 1.00 0.00 N ATOM 230 CA ASN A 15 2.684 -17.989 -7.251 1.00 0.00 C ATOM 231 C ASN A 15 2.081 -17.441 -5.965 1.00 0.00 C ATOM 232 O ASN A 15 1.232 -16.549 -5.992 1.00 0.00 O ATOM 233 CB ASN A 15 1.808 -19.121 -7.791 1.00 0.00 C ATOM 234 CG ASN A 15 1.802 -19.093 -9.316 1.00 0.00 C ATOM 235 OD1 ASN A 15 2.605 -19.775 -9.953 1.00 0.00 O ATOM 236 ND2 ASN A 15 0.941 -18.338 -9.942 1.00 0.00 N ATOM 0 H ASN A 15 4.185 -19.455 -7.241 1.00 0.00 H new ATOM 0 HA ASN A 15 2.733 -17.194 -7.995 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.183 -20.082 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.791 -19.017 -7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.932 -18.312 -10.962 1.00 0.00 H new ATOM 0 HD22 ASN A 15 0.277 -17.774 -9.412 1.00 0.00 H new ATOM 243 N ILE A 16 2.536 -17.977 -4.835 1.00 0.00 N ATOM 244 CA ILE A 16 2.044 -17.529 -3.538 1.00 0.00 C ATOM 245 C ILE A 16 2.678 -16.205 -3.165 1.00 0.00 C ATOM 246 O ILE A 16 2.140 -15.440 -2.369 1.00 0.00 O ATOM 247 CB ILE A 16 2.351 -18.576 -2.466 1.00 0.00 C ATOM 248 CG1 ILE A 16 1.957 -19.963 -2.981 1.00 0.00 C ATOM 249 CG2 ILE A 16 1.559 -18.259 -1.196 1.00 0.00 C ATOM 250 CD1 ILE A 16 0.543 -19.910 -3.566 1.00 0.00 C ATOM 0 H ILE A 16 3.238 -18.715 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 16 0.964 -17.396 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 16 3.417 -18.560 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.664 -20.294 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.999 -20.689 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.779 -19.006 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.840 -17.272 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.492 -18.272 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.264 -20.898 -3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.159 -19.598 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.517 -19.197 -4.390 1.00 0.00 H new ATOM 262 N ALA A 17 3.822 -15.954 -3.757 1.00 0.00 N ATOM 263 CA ALA A 17 4.563 -14.721 -3.513 1.00 0.00 C ATOM 264 C ALA A 17 3.924 -13.555 -4.258 1.00 0.00 C ATOM 265 O ALA A 17 4.050 -12.398 -3.856 1.00 0.00 O ATOM 266 CB ALA A 17 6.007 -14.885 -3.979 1.00 0.00 C ATOM 0 H ALA A 17 4.270 -16.588 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 17 4.542 -14.512 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.556 -13.962 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.476 -15.702 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.022 -15.109 -5.046 1.00 0.00 H new ATOM 272 N LYS A 18 3.238 -13.877 -5.346 1.00 0.00 N ATOM 273 CA LYS A 18 2.574 -12.862 -6.154 1.00 0.00 C ATOM 274 C LYS A 18 1.166 -12.652 -5.643 1.00 0.00 C ATOM 275 O LYS A 18 0.601 -11.562 -5.742 1.00 0.00 O ATOM 276 CB LYS A 18 2.535 -13.298 -7.622 1.00 0.00 C ATOM 277 CG LYS A 18 1.817 -12.232 -8.455 1.00 0.00 C ATOM 278 CD LYS A 18 0.663 -12.876 -9.227 1.00 0.00 C ATOM 279 CE LYS A 18 1.223 -13.756 -10.345 1.00 0.00 C ATOM 280 NZ LYS A 18 1.105 -15.190 -9.955 1.00 0.00 N ATOM 0 H LYS A 18 3.126 -14.831 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 18 3.130 -11.927 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.548 -13.444 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.020 -14.254 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.438 -11.443 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.517 -11.766 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.049 -13.473 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.017 -12.105 -9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.679 -13.574 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.267 -13.504 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.970 -15.771 -10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.972 -15.489 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.290 -15.311 -9.320 1.00 0.00 H new ATOM 294 N ILE A 19 0.615 -13.711 -5.075 1.00 0.00 N ATOM 295 CA ILE A 19 -0.723 -13.657 -4.517 1.00 0.00 C ATOM 296 C ILE A 19 -0.644 -13.147 -3.090 1.00 0.00 C ATOM 297 O ILE A 19 -1.637 -12.696 -2.518 1.00 0.00 O ATOM 298 CB ILE A 19 -1.359 -15.047 -4.539 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.617 -15.468 -5.988 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.684 -15.015 -3.774 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.517 -14.436 -6.670 1.00 0.00 C ATOM 0 H ILE A 19 1.074 -14.618 -4.989 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.339 -12.984 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.684 -15.762 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.673 -15.554 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.089 -16.450 -6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.137 -16.006 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.501 -14.716 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.359 -14.300 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.699 -14.737 -7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.466 -14.372 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.028 -13.462 -6.658 1.00 0.00 H new ATOM 313 N ILE A 20 0.557 -13.218 -2.524 1.00 0.00 N ATOM 314 CA ILE A 20 0.771 -12.752 -1.156 1.00 0.00 C ATOM 315 C ILE A 20 1.261 -11.307 -1.157 1.00 0.00 C ATOM 316 O ILE A 20 0.770 -10.475 -0.395 1.00 0.00 O ATOM 317 CB ILE A 20 1.797 -13.635 -0.446 1.00 0.00 C ATOM 318 CG1 ILE A 20 1.174 -15.004 -0.153 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.218 -12.972 0.868 1.00 0.00 C ATOM 320 CD1 ILE A 20 0.433 -14.957 1.186 1.00 0.00 C ATOM 0 H ILE A 20 1.388 -13.589 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.179 -12.809 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 20 2.672 -13.763 -1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.485 -15.279 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.950 -15.769 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.950 -13.601 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.660 -11.998 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.344 -12.844 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.009 -15.932 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.134 -14.701 1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.354 -14.204 1.140 1.00 0.00 H new ATOM 332 N ILE A 21 2.233 -11.020 -2.016 1.00 0.00 N ATOM 333 CA ILE A 21 2.785 -9.673 -2.106 1.00 0.00 C ATOM 334 C ILE A 21 1.947 -8.807 -3.041 1.00 0.00 C ATOM 335 O ILE A 21 1.945 -7.583 -2.927 1.00 0.00 O ATOM 336 CB ILE A 21 4.225 -9.733 -2.617 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.957 -8.445 -2.231 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.220 -9.878 -4.140 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.467 -8.658 -2.359 1.00 0.00 C ATOM 0 H ILE A 21 2.652 -11.696 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 21 2.769 -9.229 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 21 4.733 -10.588 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.639 -7.626 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.704 -8.163 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.246 -9.921 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.698 -10.794 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.712 -9.023 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.988 -7.741 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.778 -9.465 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.712 -8.920 -3.388 1.00 0.00 H new ATOM 351 N GLY A 22 1.241 -9.449 -3.966 1.00 0.00 N ATOM 352 CA GLY A 22 0.404 -8.720 -4.916 1.00 0.00 C ATOM 353 C GLY A 22 -0.546 -7.771 -4.192 1.00 0.00 C ATOM 354 O GLY A 22 -0.584 -6.571 -4.477 1.00 0.00 O ATOM 0 H GLY A 22 1.230 -10.463 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.034 -8.155 -5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.169 -9.426 -5.517 1.00 0.00 H new ATOM 358 N PRO A 23 -1.310 -8.288 -3.268 1.00 0.00 N ATOM 359 CA PRO A 23 -2.285 -7.477 -2.484 1.00 0.00 C ATOM 360 C PRO A 23 -1.624 -6.266 -1.835 1.00 0.00 C ATOM 361 O PRO A 23 -2.238 -5.207 -1.702 1.00 0.00 O ATOM 362 CB PRO A 23 -2.808 -8.448 -1.422 1.00 0.00 C ATOM 363 CG PRO A 23 -2.539 -9.818 -1.954 1.00 0.00 C ATOM 364 CD PRO A 23 -1.322 -9.702 -2.872 1.00 0.00 C ATOM 0 HA PRO A 23 -3.076 -7.070 -3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.303 -8.293 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.873 -8.299 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.345 -10.518 -1.141 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.402 -10.197 -2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.404 -9.979 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.411 -10.358 -3.738 1.00 0.00 H new ATOM 372 N LEU A 24 -0.366 -6.427 -1.438 1.00 0.00 N ATOM 373 CA LEU A 24 0.367 -5.336 -0.810 1.00 0.00 C ATOM 374 C LEU A 24 0.886 -4.374 -1.864 1.00 0.00 C ATOM 375 O LEU A 24 0.864 -3.161 -1.676 1.00 0.00 O ATOM 376 CB LEU A 24 1.537 -5.888 0.009 1.00 0.00 C ATOM 377 CG LEU A 24 1.060 -6.225 1.422 1.00 0.00 C ATOM 378 CD1 LEU A 24 2.132 -7.048 2.140 1.00 0.00 C ATOM 379 CD2 LEU A 24 0.806 -4.931 2.200 1.00 0.00 C ATOM 0 H LEU A 24 0.162 -7.294 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.311 -4.800 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.942 -6.779 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.342 -5.155 0.051 1.00 0.00 H new ATOM 0 HG LEU A 24 0.136 -6.801 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.792 -7.288 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.313 -7.970 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.056 -6.472 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.466 -5.173 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.729 -4.354 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.042 -4.344 1.690 1.00 0.00 H new ATOM 391 N ILE A 25 1.333 -4.922 -2.981 1.00 0.00 N ATOM 392 CA ILE A 25 1.833 -4.099 -4.068 1.00 0.00 C ATOM 393 C ILE A 25 0.820 -3.006 -4.384 1.00 0.00 C ATOM 394 O ILE A 25 1.182 -1.903 -4.793 1.00 0.00 O ATOM 395 CB ILE A 25 2.075 -4.964 -5.309 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.507 -5.509 -5.277 1.00 0.00 C ATOM 397 CG2 ILE A 25 1.875 -4.126 -6.575 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.455 -4.510 -5.942 1.00 0.00 C ATOM 0 H ILE A 25 1.360 -5.926 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 25 2.776 -3.641 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 25 1.367 -5.793 -5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.815 -5.687 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.553 -6.468 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.049 -4.747 -7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.856 -3.740 -6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.578 -3.293 -6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.472 -4.901 -5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.151 -4.354 -6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.418 -3.561 -5.406 1.00 0.00 H new ATOM 410 N PHE A 26 -0.456 -3.333 -4.202 1.00 0.00 N ATOM 411 CA PHE A 26 -1.527 -2.381 -4.481 1.00 0.00 C ATOM 412 C PHE A 26 -1.498 -1.206 -3.505 1.00 0.00 C ATOM 413 O PHE A 26 -1.547 -0.047 -3.917 1.00 0.00 O ATOM 414 CB PHE A 26 -2.883 -3.085 -4.388 1.00 0.00 C ATOM 415 CG PHE A 26 -3.723 -2.731 -5.594 1.00 0.00 C ATOM 416 CD1 PHE A 26 -3.618 -3.487 -6.766 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.607 -1.646 -5.536 1.00 0.00 C ATOM 418 CE1 PHE A 26 -4.397 -3.158 -7.883 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.385 -1.318 -6.652 1.00 0.00 C ATOM 420 CZ PHE A 26 -5.281 -2.074 -7.826 1.00 0.00 C ATOM 0 H PHE A 26 -0.772 -4.242 -3.865 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.376 -1.993 -5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.741 -4.164 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.397 -2.787 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.937 -4.324 -6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.688 -1.063 -4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.315 -3.741 -8.788 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.066 -0.481 -6.608 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.882 -1.821 -8.687 1.00 0.00 H new ATOM 430 N VAL A 27 -1.432 -1.507 -2.212 1.00 0.00 N ATOM 431 CA VAL A 27 -1.411 -0.458 -1.197 1.00 0.00 C ATOM 432 C VAL A 27 -0.081 0.290 -1.206 1.00 0.00 C ATOM 433 O VAL A 27 -0.048 1.518 -1.131 1.00 0.00 O ATOM 434 CB VAL A 27 -1.654 -1.065 0.188 1.00 0.00 C ATOM 435 CG1 VAL A 27 -2.538 -2.306 0.052 1.00 0.00 C ATOM 436 CG2 VAL A 27 -0.317 -1.462 0.820 1.00 0.00 C ATOM 0 H VAL A 27 -1.392 -2.458 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.205 0.252 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.149 -0.329 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.712 -2.739 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.492 -2.026 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.041 -3.039 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.494 -1.893 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.181 -2.196 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.315 -0.579 0.919 1.00 0.00 H new ATOM 446 N PHE A 28 1.011 -0.458 -1.295 1.00 0.00 N ATOM 447 CA PHE A 28 2.343 0.139 -1.310 1.00 0.00 C ATOM 448 C PHE A 28 2.517 1.035 -2.530 1.00 0.00 C ATOM 449 O PHE A 28 3.055 2.137 -2.430 1.00 0.00 O ATOM 450 CB PHE A 28 3.404 -0.962 -1.328 1.00 0.00 C ATOM 451 CG PHE A 28 4.679 -0.445 -0.707 1.00 0.00 C ATOM 452 CD1 PHE A 28 4.688 -0.030 0.630 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.853 -0.381 -1.467 1.00 0.00 C ATOM 454 CE1 PHE A 28 5.871 0.447 1.207 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.035 0.097 -0.890 1.00 0.00 C ATOM 456 CZ PHE A 28 7.044 0.511 0.447 1.00 0.00 C ATOM 0 H PHE A 28 1.003 -1.476 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 28 2.460 0.745 -0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.048 -1.834 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.591 -1.285 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.782 -0.078 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.846 -0.701 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.878 0.766 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.940 0.146 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.956 0.880 0.892 1.00 0.00 H new ATOM 466 N LEU A 29 2.057 0.557 -3.680 1.00 0.00 N ATOM 467 CA LEU A 29 2.169 1.329 -4.910 1.00 0.00 C ATOM 468 C LEU A 29 1.264 2.550 -4.843 1.00 0.00 C ATOM 469 O LEU A 29 1.586 3.608 -5.384 1.00 0.00 O ATOM 470 CB LEU A 29 1.781 0.469 -6.112 1.00 0.00 C ATOM 471 CG LEU A 29 2.033 1.255 -7.399 1.00 0.00 C ATOM 472 CD1 LEU A 29 3.532 1.526 -7.545 1.00 0.00 C ATOM 473 CD2 LEU A 29 1.541 0.442 -8.599 1.00 0.00 C ATOM 0 H LEU A 29 1.607 -0.352 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 29 3.203 1.653 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.362 -0.453 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.731 0.184 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 29 1.495 2.202 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.713 2.086 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.882 2.106 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.071 0.579 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.721 1.002 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.078 -0.505 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.473 0.249 -8.495 1.00 0.00 H new ATOM 485 N PHE A 30 0.132 2.397 -4.168 1.00 0.00 N ATOM 486 CA PHE A 30 -0.813 3.494 -4.025 1.00 0.00 C ATOM 487 C PHE A 30 -0.244 4.554 -3.090 1.00 0.00 C ATOM 488 O PHE A 30 -0.384 5.752 -3.333 1.00 0.00 O ATOM 489 CB PHE A 30 -2.139 2.971 -3.467 1.00 0.00 C ATOM 490 CG PHE A 30 -3.044 4.135 -3.146 1.00 0.00 C ATOM 491 CD1 PHE A 30 -3.774 4.756 -4.165 1.00 0.00 C ATOM 492 CD2 PHE A 30 -3.154 4.591 -1.827 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.613 5.835 -3.867 1.00 0.00 C ATOM 494 CE2 PHE A 30 -3.993 5.671 -1.529 1.00 0.00 C ATOM 495 CZ PHE A 30 -4.723 6.293 -2.548 1.00 0.00 C ATOM 0 H PHE A 30 -0.152 1.529 -3.714 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.987 3.939 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.618 2.314 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.960 2.378 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.690 4.402 -5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.592 4.110 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.176 6.315 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.077 6.024 -0.512 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.371 7.126 -2.317 1.00 0.00 H new ATOM 505 N SER A 31 0.405 4.100 -2.023 1.00 0.00 N ATOM 506 CA SER A 31 1.002 5.013 -1.055 1.00 0.00 C ATOM 507 C SER A 31 2.184 5.748 -1.675 1.00 0.00 C ATOM 508 O SER A 31 2.412 6.927 -1.401 1.00 0.00 O ATOM 509 CB SER A 31 1.468 4.240 0.179 1.00 0.00 C ATOM 510 OG SER A 31 1.618 5.139 1.270 1.00 0.00 O ATOM 0 H SER A 31 0.531 3.111 -1.807 1.00 0.00 H new ATOM 0 HA SER A 31 0.248 5.742 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.745 3.464 0.430 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.414 3.740 -0.027 1.00 0.00 H new ATOM 0 HG SER A 31 1.915 4.645 2.062 1.00 0.00 H new ATOM 516 N VAL A 32 2.932 5.039 -2.506 1.00 0.00 N ATOM 517 CA VAL A 32 4.098 5.620 -3.164 1.00 0.00 C ATOM 518 C VAL A 32 3.679 6.713 -4.145 1.00 0.00 C ATOM 519 O VAL A 32 4.267 7.794 -4.169 1.00 0.00 O ATOM 520 CB VAL A 32 4.873 4.535 -3.914 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.799 5.186 -4.942 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.710 3.727 -2.919 1.00 0.00 C ATOM 0 H VAL A 32 2.755 4.063 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 32 4.735 6.061 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 32 4.171 3.875 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.351 4.412 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.206 5.764 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.501 5.846 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.263 2.954 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.411 4.389 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.053 3.262 -2.184 1.00 0.00 H new ATOM 532 N VAL A 33 2.664 6.424 -4.954 1.00 0.00 N ATOM 533 CA VAL A 33 2.184 7.394 -5.932 1.00 0.00 C ATOM 534 C VAL A 33 1.564 8.598 -5.233 1.00 0.00 C ATOM 535 O VAL A 33 1.986 9.735 -5.445 1.00 0.00 O ATOM 536 CB VAL A 33 1.147 6.744 -6.849 1.00 0.00 C ATOM 537 CG1 VAL A 33 0.527 7.810 -7.756 1.00 0.00 C ATOM 538 CG2 VAL A 33 1.825 5.676 -7.709 1.00 0.00 C ATOM 0 H VAL A 33 2.163 5.536 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 33 3.033 7.731 -6.527 1.00 0.00 H new ATOM 0 HB VAL A 33 0.366 6.283 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.212 7.347 -8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.044 8.572 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.307 8.272 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.086 5.212 -8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.606 6.137 -8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.267 4.916 -7.064 1.00 0.00 H new ATOM 548 N ILE A 34 0.562 8.341 -4.397 1.00 0.00 N ATOM 549 CA ILE A 34 -0.110 9.412 -3.670 1.00 0.00 C ATOM 550 C ILE A 34 0.883 10.181 -2.813 1.00 0.00 C ATOM 551 O ILE A 34 0.627 11.314 -2.407 1.00 0.00 O ATOM 552 CB ILE A 34 -1.214 8.833 -2.784 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.086 9.971 -2.249 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.586 8.078 -1.611 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.152 9.403 -1.312 1.00 0.00 C ATOM 0 H ILE A 34 0.200 7.407 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.551 10.095 -4.395 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.827 8.148 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.470 10.696 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.559 10.500 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.374 7.666 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.036 7.268 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.028 8.762 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.772 10.215 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.776 8.695 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.669 8.894 -0.478 1.00 0.00 H new ATOM 567 N GLY A 35 2.017 9.554 -2.544 1.00 0.00 N ATOM 568 CA GLY A 35 3.051 10.181 -1.734 1.00 0.00 C ATOM 569 C GLY A 35 3.712 11.319 -2.488 1.00 0.00 C ATOM 570 O GLY A 35 3.722 12.462 -2.030 1.00 0.00 O ATOM 0 H GLY A 35 2.245 8.616 -2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.616 10.557 -0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.800 9.440 -1.456 1.00 0.00 H new ATOM 574 N SER A 36 4.240 11.002 -3.660 1.00 0.00 N ATOM 575 CA SER A 36 4.876 12.011 -4.487 1.00 0.00 C ATOM 576 C SER A 36 3.814 12.984 -4.958 1.00 0.00 C ATOM 577 O SER A 36 4.095 14.145 -5.253 1.00 0.00 O ATOM 578 CB SER A 36 5.561 11.361 -5.689 1.00 0.00 C ATOM 579 OG SER A 36 6.283 10.214 -5.257 1.00 0.00 O ATOM 0 H SER A 36 4.240 10.062 -4.056 1.00 0.00 H new ATOM 0 HA SER A 36 5.635 12.537 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.819 11.078 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.236 12.072 -6.165 1.00 0.00 H new ATOM 0 HG SER A 36 6.722 9.795 -6.026 1.00 0.00 H new ATOM 585 N ILE A 37 2.584 12.488 -5.013 1.00 0.00 N ATOM 586 CA ILE A 37 1.457 13.310 -5.440 1.00 0.00 C ATOM 587 C ILE A 37 1.079 14.289 -4.331 1.00 0.00 C ATOM 588 O ILE A 37 0.734 15.441 -4.594 1.00 0.00 O ATOM 589 CB ILE A 37 0.260 12.416 -5.812 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.187 12.735 -7.242 1.00 0.00 C ATOM 591 CG2 ILE A 37 -0.912 12.657 -4.854 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.371 11.843 -7.620 1.00 0.00 C ATOM 0 H ILE A 37 2.342 11.528 -4.769 1.00 0.00 H new ATOM 0 HA ILE A 37 1.744 13.881 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 37 0.568 11.373 -5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.470 13.785 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.638 12.575 -7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.748 12.016 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.602 12.426 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.220 13.701 -4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.688 12.071 -8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.072 10.797 -7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.198 12.025 -6.933 1.00 0.00 H new ATOM 604 N TYR A 38 1.150 13.815 -3.091 1.00 0.00 N ATOM 605 CA TYR A 38 0.817 14.650 -1.943 1.00 0.00 C ATOM 606 C TYR A 38 1.540 15.991 -2.032 1.00 0.00 C ATOM 607 O TYR A 38 0.959 17.041 -1.756 1.00 0.00 O ATOM 608 CB TYR A 38 1.212 13.938 -0.648 1.00 0.00 C ATOM 609 CG TYR A 38 0.104 14.081 0.370 1.00 0.00 C ATOM 610 CD1 TYR A 38 -1.180 13.608 0.077 1.00 0.00 C ATOM 611 CD2 TYR A 38 0.363 14.686 1.605 1.00 0.00 C ATOM 612 CE1 TYR A 38 -2.206 13.740 1.021 1.00 0.00 C ATOM 613 CE2 TYR A 38 -0.662 14.818 2.549 1.00 0.00 C ATOM 614 CZ TYR A 38 -1.946 14.345 2.257 1.00 0.00 C ATOM 615 OH TYR A 38 -2.958 14.474 3.187 1.00 0.00 O ATOM 0 H TYR A 38 1.433 12.864 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.258 14.828 -1.944 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.404 12.883 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.136 14.362 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.380 13.142 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.354 15.051 1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.197 13.375 0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.462 15.285 3.502 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.610 14.914 3.990 1.00 0.00 H new ATOM 625 N LEU A 39 2.812 15.947 -2.419 1.00 0.00 N ATOM 626 CA LEU A 39 3.604 17.165 -2.543 1.00 0.00 C ATOM 627 C LEU A 39 2.804 18.254 -3.251 1.00 0.00 C ATOM 628 O LEU A 39 2.787 19.405 -2.818 1.00 0.00 O ATOM 629 CB LEU A 39 4.886 16.879 -3.326 1.00 0.00 C ATOM 630 CG LEU A 39 6.016 16.544 -2.351 1.00 0.00 C ATOM 631 CD1 LEU A 39 5.631 15.315 -1.525 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.296 16.248 -3.136 1.00 0.00 C ATOM 0 H LEU A 39 3.312 15.089 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 39 3.861 17.511 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.727 16.049 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.157 17.745 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 39 6.184 17.391 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.436 15.077 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.719 15.524 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.463 14.468 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.102 16.009 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.127 15.401 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.572 17.123 -3.725 1.00 0.00 H new ATOM 644 N PHE A 40 2.139 17.881 -4.340 1.00 0.00 N ATOM 645 CA PHE A 40 1.338 18.835 -5.096 1.00 0.00 C ATOM 646 C PHE A 40 0.132 19.281 -4.275 1.00 0.00 C ATOM 647 O PHE A 40 -0.176 20.470 -4.202 1.00 0.00 O ATOM 648 CB PHE A 40 0.862 18.201 -6.406 1.00 0.00 C ATOM 649 CG PHE A 40 1.014 19.197 -7.532 1.00 0.00 C ATOM 650 CD1 PHE A 40 0.078 20.226 -7.687 1.00 0.00 C ATOM 651 CD2 PHE A 40 2.092 19.092 -8.419 1.00 0.00 C ATOM 652 CE1 PHE A 40 0.218 21.151 -8.730 1.00 0.00 C ATOM 653 CE2 PHE A 40 2.233 20.015 -9.462 1.00 0.00 C ATOM 654 CZ PHE A 40 1.297 21.044 -9.617 1.00 0.00 C ATOM 0 H PHE A 40 2.139 16.933 -4.716 1.00 0.00 H new ATOM 0 HA PHE A 40 1.956 19.704 -5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.442 17.303 -6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.180 17.894 -6.316 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.753 20.307 -7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.815 18.299 -8.299 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.504 21.945 -8.850 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.064 19.933 -10.147 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.407 21.756 -10.421 1.00 0.00 H new ATOM 664 N LEU A 41 -0.542 18.318 -3.656 1.00 0.00 N ATOM 665 CA LEU A 41 -1.710 18.621 -2.837 1.00 0.00 C ATOM 666 C LEU A 41 -1.313 19.488 -1.650 1.00 0.00 C ATOM 667 O LEU A 41 -2.164 20.050 -0.959 1.00 0.00 O ATOM 668 CB LEU A 41 -2.356 17.325 -2.337 1.00 0.00 C ATOM 669 CG LEU A 41 -3.694 17.109 -3.048 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.451 16.879 -4.541 1.00 0.00 C ATOM 671 CD2 LEU A 41 -4.394 15.886 -2.449 1.00 0.00 C ATOM 0 H LEU A 41 -0.302 17.328 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.429 19.165 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.693 16.481 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.510 17.376 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.322 17.990 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.405 16.725 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.951 17.749 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.823 15.998 -4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.348 15.729 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.765 15.006 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.569 16.051 -1.386 1.00 0.00 H new ATOM 683 N ARG A 42 -0.014 19.583 -1.426 1.00 0.00 N ATOM 684 CA ARG A 42 0.512 20.378 -0.322 1.00 0.00 C ATOM 685 C ARG A 42 0.580 21.852 -0.705 1.00 0.00 C ATOM 686 O ARG A 42 0.832 22.713 0.139 1.00 0.00 O ATOM 687 CB ARG A 42 1.908 19.883 0.060 1.00 0.00 C ATOM 688 CG ARG A 42 2.035 19.834 1.584 1.00 0.00 C ATOM 689 CD ARG A 42 3.469 19.458 1.965 1.00 0.00 C ATOM 690 NE ARG A 42 3.501 18.878 3.302 1.00 0.00 N ATOM 691 CZ ARG A 42 4.473 18.047 3.667 1.00 0.00 C ATOM 692 NH1 ARG A 42 5.419 17.739 2.823 1.00 0.00 N ATOM 693 NH2 ARG A 42 4.481 17.541 4.869 1.00 0.00 N ATOM 0 H ARG A 42 0.698 19.121 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.158 20.268 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.082 18.893 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.667 20.545 -0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.776 20.802 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.335 19.106 1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.870 18.747 1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.106 20.342 1.929 1.00 0.00 H new ATOM 0 HE ARG A 42 2.766 19.113 3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.413 18.136 1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.165 17.102 3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.742 17.783 5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.226 16.904 5.149 1.00 0.00 H new ATOM 707 N LYS A 43 0.353 22.138 -1.983 1.00 0.00 N ATOM 708 CA LYS A 43 0.390 23.514 -2.466 1.00 0.00 C ATOM 709 C LYS A 43 -1.015 24.108 -2.488 1.00 0.00 C ATOM 710 O LYS A 43 -1.313 24.993 -3.289 1.00 0.00 O ATOM 711 CB LYS A 43 0.993 23.561 -3.874 1.00 0.00 C ATOM 712 CG LYS A 43 2.521 23.516 -3.782 1.00 0.00 C ATOM 713 CD LYS A 43 3.126 24.042 -5.086 1.00 0.00 C ATOM 714 CE LYS A 43 3.633 25.469 -4.873 1.00 0.00 C ATOM 715 NZ LYS A 43 2.473 26.386 -4.689 1.00 0.00 N ATOM 0 H LYS A 43 0.143 21.442 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 43 1.011 24.102 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.630 22.720 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.676 24.470 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.863 24.119 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.855 22.495 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.945 23.398 -5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.379 24.025 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.284 25.509 -3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.229 25.786 -5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.811 27.369 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.817 26.280 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.981 26.150 -3.804 1.00 0.00 H new ATOM 729 N ARG A 44 -1.872 23.616 -1.599 1.00 0.00 N ATOM 730 CA ARG A 44 -3.243 24.104 -1.517 1.00 0.00 C ATOM 731 C ARG A 44 -3.773 23.964 -0.096 1.00 0.00 C ATOM 732 O ARG A 44 -4.574 24.778 0.364 1.00 0.00 O ATOM 733 CB ARG A 44 -4.137 23.321 -2.481 1.00 0.00 C ATOM 734 CG ARG A 44 -5.498 24.010 -2.591 1.00 0.00 C ATOM 735 CD ARG A 44 -5.890 24.133 -4.064 1.00 0.00 C ATOM 736 NE ARG A 44 -5.044 25.117 -4.731 1.00 0.00 N ATOM 737 CZ ARG A 44 -5.387 26.399 -4.781 1.00 0.00 C ATOM 738 NH1 ARG A 44 -6.499 26.800 -4.227 1.00 0.00 N ATOM 739 NH2 ARG A 44 -4.613 27.260 -5.383 1.00 0.00 N ATOM 0 H ARG A 44 -1.642 22.883 -0.928 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.252 25.158 -1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.667 23.262 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.263 22.298 -2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.252 23.438 -2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.456 24.997 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.792 23.165 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.936 24.427 -4.146 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.173 24.815 -5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.105 26.129 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.762 27.785 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.743 26.949 -5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.878 28.244 -5.421 1.00 0.00 H new ATOM 753 N GLN A 45 -3.309 22.926 0.590 1.00 0.00 N ATOM 754 CA GLN A 45 -3.721 22.667 1.967 1.00 0.00 C ATOM 755 C GLN A 45 -5.046 23.355 2.283 1.00 0.00 C ATOM 756 O GLN A 45 -5.071 24.506 2.717 1.00 0.00 O ATOM 757 CB GLN A 45 -2.645 23.169 2.931 1.00 0.00 C ATOM 758 CG GLN A 45 -1.710 24.130 2.194 1.00 0.00 C ATOM 759 CD GLN A 45 -0.797 24.836 3.190 1.00 0.00 C ATOM 760 OE1 GLN A 45 -0.239 24.198 4.082 1.00 0.00 O ATOM 761 NE2 GLN A 45 -0.609 26.123 3.089 1.00 0.00 N ATOM 0 H GLN A 45 -2.646 22.248 0.215 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.853 21.592 2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.108 23.673 3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.078 22.328 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.112 23.582 1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.294 24.865 1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.073 26.650 2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.002 26.603 3.750 1.00 0.00 H new ATOM 770 N PRO A 46 -6.139 22.669 2.075 1.00 0.00 N ATOM 771 CA PRO A 46 -7.499 23.220 2.346 1.00 0.00 C ATOM 772 C PRO A 46 -7.625 23.769 3.766 1.00 0.00 C ATOM 773 O PRO A 46 -7.927 23.029 4.701 1.00 0.00 O ATOM 774 CB PRO A 46 -8.431 22.023 2.142 1.00 0.00 C ATOM 775 CG PRO A 46 -7.679 21.067 1.277 1.00 0.00 C ATOM 776 CD PRO A 46 -6.195 21.293 1.560 1.00 0.00 C ATOM 0 HA PRO A 46 -7.733 24.061 1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.694 21.565 3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.363 22.329 1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.963 20.038 1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.903 21.239 0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.814 20.578 2.289 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.594 21.179 0.658 1.00 0.00 H new ATOM 784 N ASP A 47 -7.385 25.069 3.918 1.00 0.00 N ATOM 785 CA ASP A 47 -7.468 25.705 5.222 1.00 0.00 C ATOM 786 C ASP A 47 -8.904 25.728 5.720 1.00 0.00 C ATOM 787 O ASP A 47 -9.356 26.701 6.324 1.00 0.00 O ATOM 788 CB ASP A 47 -6.913 27.128 5.159 1.00 0.00 C ATOM 789 CG ASP A 47 -7.991 28.089 4.671 1.00 0.00 C ATOM 790 OD1 ASP A 47 -8.720 27.720 3.764 1.00 0.00 O ATOM 791 OD2 ASP A 47 -8.074 29.179 5.211 1.00 0.00 O ATOM 0 H ASP A 47 -7.133 25.697 3.155 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.868 25.123 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.561 27.434 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.054 27.162 4.489 1.00 0.00 H new ATOM 796 N GLY A 48 -9.610 24.643 5.457 1.00 0.00 N ATOM 797 CA GLY A 48 -11.002 24.521 5.873 1.00 0.00 C ATOM 798 C GLY A 48 -11.815 25.730 5.427 1.00 0.00 C ATOM 799 O GLY A 48 -12.293 26.510 6.252 1.00 0.00 O ATOM 0 H GLY A 48 -9.245 23.832 4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.433 23.613 5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.054 24.424 6.957 1.00 0.00 H new ATOM 803 N PRO A 49 -11.978 25.895 4.143 1.00 0.00 N ATOM 804 CA PRO A 49 -12.751 27.032 3.563 1.00 0.00 C ATOM 805 C PRO A 49 -14.217 27.000 3.986 1.00 0.00 C ATOM 806 O PRO A 49 -15.027 27.800 3.517 1.00 0.00 O ATOM 807 CB PRO A 49 -12.622 26.847 2.045 1.00 0.00 C ATOM 808 CG PRO A 49 -11.515 25.863 1.837 1.00 0.00 C ATOM 809 CD PRO A 49 -11.439 25.013 3.102 1.00 0.00 C ATOM 0 HA PRO A 49 -12.370 27.993 3.907 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -13.555 26.480 1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -12.398 27.795 1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.710 25.240 0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.570 26.376 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.026 24.099 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.415 24.712 3.322 1.00 0.00 H new ATOM 817 N LEU A 50 -14.550 26.068 4.872 1.00 0.00 N ATOM 818 CA LEU A 50 -15.922 25.937 5.350 1.00 0.00 C ATOM 819 C LEU A 50 -16.332 27.165 6.157 1.00 0.00 C ATOM 820 O LEU A 50 -17.518 27.473 6.277 1.00 0.00 O ATOM 821 CB LEU A 50 -16.054 24.687 6.221 1.00 0.00 C ATOM 822 CG LEU A 50 -16.555 23.521 5.369 1.00 0.00 C ATOM 823 CD1 LEU A 50 -16.228 22.200 6.068 1.00 0.00 C ATOM 824 CD2 LEU A 50 -18.070 23.638 5.187 1.00 0.00 C ATOM 0 H LEU A 50 -13.894 25.396 5.272 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.579 25.850 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -15.091 24.438 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -16.746 24.875 7.042 1.00 0.00 H new ATOM 0 HG LEU A 50 -16.067 23.547 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.585 21.369 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.149 22.116 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -16.716 22.173 7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -18.429 22.807 4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -18.557 23.611 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -18.305 24.579 4.690 1.00 0.00 H new ATOM 836 N GLU A 51 -15.345 27.861 6.709 1.00 0.00 N ATOM 837 CA GLU A 51 -15.617 29.054 7.504 1.00 0.00 C ATOM 838 C GLU A 51 -15.370 30.316 6.684 1.00 0.00 C ATOM 839 O GLU A 51 -14.245 30.580 6.257 1.00 0.00 O ATOM 840 CB GLU A 51 -14.726 29.067 8.748 1.00 0.00 C ATOM 841 CG GLU A 51 -14.811 27.710 9.451 1.00 0.00 C ATOM 842 CD GLU A 51 -16.166 27.562 10.136 1.00 0.00 C ATOM 843 OE1 GLU A 51 -16.999 28.434 9.954 1.00 0.00 O ATOM 844 OE2 GLU A 51 -16.350 26.577 10.834 1.00 0.00 O ATOM 0 H GLU A 51 -14.357 27.623 6.622 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.664 29.033 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.694 29.279 8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.041 29.860 9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.670 26.907 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.011 27.621 10.186 1.00 0.00 H new ATOM 851 N HIS A 52 -16.427 31.092 6.468 1.00 0.00 N ATOM 852 CA HIS A 52 -16.312 32.325 5.697 1.00 0.00 C ATOM 853 C HIS A 52 -17.363 33.336 6.147 1.00 0.00 C ATOM 854 O HIS A 52 -18.024 33.145 7.169 1.00 0.00 O ATOM 855 CB HIS A 52 -16.491 32.028 4.204 1.00 0.00 C ATOM 856 CG HIS A 52 -15.282 32.502 3.443 1.00 0.00 C ATOM 857 ND1 HIS A 52 -15.381 33.361 2.360 1.00 0.00 N ATOM 858 CD2 HIS A 52 -13.943 32.243 3.595 1.00 0.00 C ATOM 859 CE1 HIS A 52 -14.134 33.587 1.907 1.00 0.00 C ATOM 860 NE2 HIS A 52 -13.219 32.929 2.624 1.00 0.00 N ATOM 0 H HIS A 52 -17.366 30.892 6.813 1.00 0.00 H new ATOM 0 HA HIS A 52 -15.321 32.747 5.866 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -16.632 30.958 4.051 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -17.386 32.525 3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -13.516 31.604 4.353 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -13.901 34.223 1.066 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -12.208 32.929 2.489 1.00 0.00 H new ATOM 869 N HIS A 53 -17.511 34.410 5.379 1.00 0.00 N ATOM 870 CA HIS A 53 -18.484 35.447 5.708 1.00 0.00 C ATOM 871 C HIS A 53 -19.375 35.747 4.507 1.00 0.00 C ATOM 872 O HIS A 53 -20.102 36.740 4.495 1.00 0.00 O ATOM 873 CB HIS A 53 -17.758 36.723 6.138 1.00 0.00 C ATOM 874 CG HIS A 53 -17.036 37.309 4.957 1.00 0.00 C ATOM 875 ND1 HIS A 53 -16.703 36.785 3.733 1.00 0.00 N flip ATOM 876 CD2 HIS A 53 -16.558 38.611 4.954 1.00 0.00 C flip ATOM 877 CE1 HIS A 53 -16.031 37.742 2.980 1.00 0.00 C flip ATOM 878 NE2 HIS A 53 -15.970 38.824 3.762 1.00 0.00 N flip ATOM 0 H HIS A 53 -16.974 34.585 4.530 1.00 0.00 H new ATOM 0 HA HIS A 53 -19.107 35.088 6.527 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -18.472 37.444 6.536 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -17.051 36.500 6.937 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -16.642 39.324 5.761 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -15.642 37.634 1.978 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -15.532 39.704 3.489 1.00 0.00 H new ATOM 887 N HIS A 54 -19.314 34.884 3.497 1.00 0.00 N ATOM 888 CA HIS A 54 -20.121 35.071 2.296 1.00 0.00 C ATOM 889 C HIS A 54 -21.564 34.648 2.549 1.00 0.00 C ATOM 890 O HIS A 54 -21.849 33.469 2.761 1.00 0.00 O ATOM 891 CB HIS A 54 -19.538 34.251 1.143 1.00 0.00 C ATOM 892 CG HIS A 54 -20.356 34.477 -0.098 1.00 0.00 C ATOM 893 ND1 HIS A 54 -20.326 35.675 -0.794 1.00 0.00 N ATOM 894 CD2 HIS A 54 -21.232 33.669 -0.781 1.00 0.00 C ATOM 895 CE1 HIS A 54 -21.157 35.555 -1.845 1.00 0.00 C ATOM 896 NE2 HIS A 54 -21.736 34.351 -1.884 1.00 0.00 N ATOM 0 H HIS A 54 -18.720 34.055 3.486 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.107 36.128 2.031 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -18.502 34.539 0.966 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -19.535 33.192 1.401 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -21.490 32.658 -0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -21.335 36.336 -2.569 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -22.404 34.006 -2.574 1.00 0.00 H new ATOM 905 N HIS A 55 -22.472 35.618 2.523 1.00 0.00 N ATOM 906 CA HIS A 55 -23.886 35.337 2.751 1.00 0.00 C ATOM 907 C HIS A 55 -24.056 34.313 3.869 1.00 0.00 C ATOM 908 O HIS A 55 -23.768 34.597 5.032 1.00 0.00 O ATOM 909 CB HIS A 55 -24.523 34.803 1.467 1.00 0.00 C ATOM 910 CG HIS A 55 -24.738 35.941 0.506 1.00 0.00 C ATOM 911 ND1 HIS A 55 -23.728 36.831 0.176 1.00 0.00 N ATOM 912 CD2 HIS A 55 -25.841 36.346 -0.204 1.00 0.00 C ATOM 913 CE1 HIS A 55 -24.239 37.719 -0.695 1.00 0.00 C ATOM 914 NE2 HIS A 55 -25.524 37.470 -0.961 1.00 0.00 N ATOM 0 H HIS A 55 -22.257 36.600 2.348 1.00 0.00 H new ATOM 0 HA HIS A 55 -24.379 36.263 3.045 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -23.880 34.048 1.016 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -25.473 34.319 1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -26.808 35.865 -0.179 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -23.678 38.535 -1.127 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -26.140 37.991 -1.585 1.00 0.00 H new ATOM 923 N HIS A 56 -24.525 33.123 3.510 1.00 0.00 N ATOM 924 CA HIS A 56 -24.729 32.065 4.493 1.00 0.00 C ATOM 925 C HIS A 56 -25.468 30.887 3.866 1.00 0.00 C ATOM 926 O HIS A 56 -26.461 30.404 4.412 1.00 0.00 O ATOM 927 CB HIS A 56 -25.531 32.599 5.681 1.00 0.00 C ATOM 928 CG HIS A 56 -26.576 33.562 5.189 1.00 0.00 C ATOM 929 ND1 HIS A 56 -26.451 34.933 5.346 1.00 0.00 N ATOM 930 CD2 HIS A 56 -27.774 33.366 4.543 1.00 0.00 C ATOM 931 CE1 HIS A 56 -27.544 35.505 4.808 1.00 0.00 C ATOM 932 NE2 HIS A 56 -28.382 34.595 4.304 1.00 0.00 N ATOM 0 H HIS A 56 -24.769 32.868 2.553 1.00 0.00 H new ATOM 0 HA HIS A 56 -23.753 31.725 4.839 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -26.004 31.774 6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -24.867 33.097 6.388 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -25.672 35.420 5.789 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -28.181 32.405 4.264 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -27.722 36.570 4.786 1.00 0.00 H new ATOM 941 N HIS A 57 -24.978 30.428 2.719 1.00 0.00 N ATOM 942 CA HIS A 57 -25.603 29.306 2.029 1.00 0.00 C ATOM 943 C HIS A 57 -24.701 28.796 0.909 1.00 0.00 C ATOM 944 O HIS A 57 -23.559 29.232 0.772 1.00 0.00 O ATOM 945 CB HIS A 57 -26.948 29.738 1.446 1.00 0.00 C ATOM 946 CG HIS A 57 -27.422 28.709 0.459 1.00 0.00 C ATOM 947 ND1 HIS A 57 -26.639 28.289 -0.605 1.00 0.00 N ATOM 948 CD2 HIS A 57 -28.596 28.006 0.361 1.00 0.00 C ATOM 949 CE1 HIS A 57 -27.346 27.373 -1.292 1.00 0.00 C ATOM 950 NE2 HIS A 57 -28.547 27.163 -0.744 1.00 0.00 N ATOM 0 H HIS A 57 -24.157 30.812 2.251 1.00 0.00 H new ATOM 0 HA HIS A 57 -25.759 28.502 2.748 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -27.681 29.856 2.244 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -26.850 30.707 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -29.432 28.094 1.039 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -26.987 26.869 -2.177 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -29.272 26.522 -1.067 1.00 0.00 H new TER 959 HIS A 57