USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= 0.672 K(o=1.9,f=0.4) USER MOD Set 1.2: A 90 SER OG : rot 64:sc= 1.2 USER MOD Set 2.1: A 40 TYR OH : rot -15:sc= 0.527 USER MOD Set 2.2: A 50 GLN : amide:sc= -4.67! C(o=-4.1!,f=-4.1!) USER MOD Set 3.1: A 30 SER OG : rot 11:sc= 0.968 USER MOD Set 3.2: A 78 GLN :FLIP amide:sc= -1.2 F(o=-4.8!,f=-0.23) USER MOD Set 4.1: A 18 THR OG1 : rot -16:sc= 0.711 USER MOD Set 4.2: A 21 SER OG : rot -35:sc= 1.27 USER MOD Set 4.3: A 62 ASN : amide:sc= -0.158! K(o=1.8!,f=1.1) USER MOD Single : A 1 GLY N :NH3+ -139:sc= -0.456 (180deg=-2.15!) USER MOD Single : A 5 SER OG : rot 73:sc= 0.672 USER MOD Single : A 6 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-7.2!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00666 USER MOD Single : A 11 SER OG : rot -8:sc= 0.208! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 54:sc= -3.64! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -2:sc= 0.683 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -15:sc= -3.35! USER MOD Single : A 43 SER OG : rot 110:sc= -1.44 USER MOD Single : A 51 TYR OH : rot 68:sc= 0.697 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -151:sc= -0.649 USER MOD Single : A 77 TYR OH : rot 34:sc= -0.157 USER MOD Single : A 80 SER OG : rot 165:sc= -3! USER MOD Single : A 85 GLN :FLIP amide:sc= -1.03 F(o=-6!,f=-1) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.479 F(o=-1.7!,f=-0.48) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 21:sc= 0.31 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.707 -10.796 -36.435 1.00 0.00 N ATOM 2 CA GLY A 1 -4.480 -10.073 -35.153 1.00 0.00 C ATOM 3 C GLY A 1 -4.673 -11.033 -33.984 1.00 0.00 C ATOM 4 O GLY A 1 -3.730 -11.319 -33.246 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.996 -10.497 -37.133 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.625 -11.820 -36.275 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.658 -10.577 -36.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.473 -9.656 -35.132 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.173 -9.236 -35.068 1.00 0.00 H new ATOM 10 N PRO A 2 -5.867 -11.537 -33.801 1.00 0.00 N ATOM 11 CA PRO A 2 -6.173 -12.489 -32.694 1.00 0.00 C ATOM 12 C PRO A 2 -5.396 -13.793 -32.846 1.00 0.00 C ATOM 13 O PRO A 2 -5.348 -14.372 -33.930 1.00 0.00 O ATOM 14 CB PRO A 2 -7.682 -12.742 -32.809 1.00 0.00 C ATOM 15 CG PRO A 2 -8.212 -11.687 -33.724 1.00 0.00 C ATOM 16 CD PRO A 2 -7.053 -11.260 -34.621 1.00 0.00 C ATOM 0 HA PRO A 2 -5.888 -12.085 -31.723 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.881 -13.737 -33.206 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.162 -12.687 -31.832 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.040 -12.072 -34.319 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.594 -10.839 -33.156 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.038 -11.825 -35.553 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.119 -10.205 -34.888 1.00 0.00 H new ATOM 24 N LEU A 3 -4.796 -14.250 -31.754 1.00 0.00 N ATOM 25 CA LEU A 3 -4.025 -15.486 -31.779 1.00 0.00 C ATOM 26 C LEU A 3 -4.506 -16.431 -30.685 1.00 0.00 C ATOM 27 O LEU A 3 -5.707 -16.615 -30.492 1.00 0.00 O ATOM 28 CB LEU A 3 -2.541 -15.178 -31.567 1.00 0.00 C ATOM 29 CG LEU A 3 -2.113 -14.045 -32.502 1.00 0.00 C ATOM 30 CD1 LEU A 3 -0.679 -13.620 -32.171 1.00 0.00 C ATOM 31 CD2 LEU A 3 -2.171 -14.528 -33.954 1.00 0.00 C ATOM 0 H LEU A 3 -4.828 -13.787 -30.846 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.164 -15.963 -32.749 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.363 -14.894 -30.530 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.943 -16.069 -31.761 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.786 -13.198 -32.370 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.376 -12.813 -32.838 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.631 -13.275 -31.138 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.009 -14.470 -32.301 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.866 -13.720 -34.619 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.499 -15.377 -34.082 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.189 -14.832 -34.196 1.00 0.00 H new ATOM 43 N GLY A 4 -3.558 -17.023 -29.968 1.00 0.00 N ATOM 44 CA GLY A 4 -3.890 -17.942 -28.888 1.00 0.00 C ATOM 45 C GLY A 4 -3.420 -17.389 -27.549 1.00 0.00 C ATOM 46 O GLY A 4 -2.956 -18.137 -26.687 1.00 0.00 O ATOM 0 H GLY A 4 -2.558 -16.884 -30.114 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.967 -18.106 -28.862 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.424 -18.910 -29.071 1.00 0.00 H new ATOM 50 N SER A 5 -3.531 -16.073 -27.383 1.00 0.00 N ATOM 51 CA SER A 5 -3.102 -15.436 -26.145 1.00 0.00 C ATOM 52 C SER A 5 -1.901 -16.175 -25.567 1.00 0.00 C ATOM 53 O SER A 5 -1.973 -16.751 -24.482 1.00 0.00 O ATOM 54 CB SER A 5 -4.246 -15.441 -25.132 1.00 0.00 C ATOM 55 OG SER A 5 -4.199 -16.647 -24.381 1.00 0.00 O ATOM 0 H SER A 5 -3.910 -15.435 -28.083 1.00 0.00 H new ATOM 0 HA SER A 5 -2.818 -14.406 -26.359 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.163 -14.581 -24.467 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.203 -15.356 -25.646 1.00 0.00 H new ATOM 0 HG SER A 5 -3.444 -16.615 -23.757 1.00 0.00 H new ATOM 61 N HIS A 6 -0.799 -16.159 -26.309 1.00 0.00 N ATOM 62 CA HIS A 6 0.417 -16.836 -25.878 1.00 0.00 C ATOM 63 C HIS A 6 1.380 -15.853 -25.221 1.00 0.00 C ATOM 64 O HIS A 6 1.082 -14.665 -25.096 1.00 0.00 O ATOM 65 CB HIS A 6 1.098 -17.494 -27.080 1.00 0.00 C ATOM 66 CG HIS A 6 1.498 -16.436 -28.073 1.00 0.00 C ATOM 67 ND1 HIS A 6 1.622 -15.101 -27.723 1.00 0.00 N ATOM 68 CD2 HIS A 6 1.796 -16.501 -29.411 1.00 0.00 C ATOM 69 CE1 HIS A 6 1.981 -14.423 -28.828 1.00 0.00 C ATOM 70 NE2 HIS A 6 2.102 -15.230 -29.886 1.00 0.00 N ATOM 0 H HIS A 6 -0.723 -15.686 -27.209 1.00 0.00 H new ATOM 0 HA HIS A 6 0.145 -17.598 -25.148 1.00 0.00 H new ATOM 0 HB2 HIS A 6 1.976 -18.052 -26.754 1.00 0.00 H new ATOM 0 HB3 HIS A 6 0.422 -18.209 -27.548 1.00 0.00 H new ATOM 0 HD2 HIS A 6 1.793 -17.403 -30.005 1.00 0.00 H new ATOM 0 HE1 HIS A 6 2.151 -13.357 -28.856 1.00 0.00 H new ATOM 0 HE2 HIS A 6 2.363 -14.970 -30.837 1.00 0.00 H new ATOM 79 N LEU A 7 2.536 -16.357 -24.801 1.00 0.00 N ATOM 80 CA LEU A 7 3.535 -15.515 -24.155 1.00 0.00 C ATOM 81 C LEU A 7 4.084 -14.488 -25.137 1.00 0.00 C ATOM 82 O LEU A 7 4.217 -14.763 -26.330 1.00 0.00 O ATOM 83 CB LEU A 7 4.682 -16.379 -23.627 1.00 0.00 C ATOM 84 CG LEU A 7 4.159 -17.327 -22.549 1.00 0.00 C ATOM 85 CD1 LEU A 7 3.301 -18.417 -23.194 1.00 0.00 C ATOM 86 CD2 LEU A 7 5.344 -17.974 -21.828 1.00 0.00 C ATOM 0 H LEU A 7 2.802 -17.337 -24.896 1.00 0.00 H new ATOM 0 HA LEU A 7 3.060 -14.992 -23.325 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.125 -16.950 -24.443 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.468 -15.745 -23.217 1.00 0.00 H new ATOM 0 HG LEU A 7 3.555 -16.767 -21.835 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.929 -19.092 -22.423 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.458 -17.958 -23.711 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.903 -18.979 -23.908 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.975 -18.651 -21.058 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.945 -18.533 -22.545 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.956 -17.199 -21.367 1.00 0.00 H new ATOM 98 N VAL A 8 4.397 -13.301 -24.628 1.00 0.00 N ATOM 99 CA VAL A 8 4.929 -12.235 -25.470 1.00 0.00 C ATOM 100 C VAL A 8 6.107 -11.552 -24.784 1.00 0.00 C ATOM 101 O VAL A 8 6.875 -10.827 -25.417 1.00 0.00 O ATOM 102 CB VAL A 8 3.837 -11.205 -25.751 1.00 0.00 C ATOM 103 CG1 VAL A 8 3.514 -10.439 -24.467 1.00 0.00 C ATOM 104 CG2 VAL A 8 4.329 -10.225 -26.818 1.00 0.00 C ATOM 0 H VAL A 8 4.293 -13.054 -23.644 1.00 0.00 H new ATOM 0 HA VAL A 8 5.271 -12.671 -26.409 1.00 0.00 H new ATOM 0 HB VAL A 8 2.940 -11.712 -26.105 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.735 -9.704 -24.668 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.167 -11.137 -23.705 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.410 -9.930 -24.112 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.552 -9.488 -27.021 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.225 -9.718 -26.461 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.561 -10.770 -27.733 1.00 0.00 H new ATOM 114 N ALA A 9 6.236 -11.788 -23.486 1.00 0.00 N ATOM 115 CA ALA A 9 7.317 -11.197 -22.709 1.00 0.00 C ATOM 116 C ALA A 9 7.256 -11.702 -21.273 1.00 0.00 C ATOM 117 O ALA A 9 6.177 -12.010 -20.763 1.00 0.00 O ATOM 118 CB ALA A 9 7.200 -9.671 -22.726 1.00 0.00 C ATOM 0 H ALA A 9 5.606 -12.384 -22.949 1.00 0.00 H new ATOM 0 HA ALA A 9 8.271 -11.486 -23.151 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.012 -9.237 -22.143 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.260 -9.313 -23.754 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.244 -9.375 -22.294 1.00 0.00 H new ATOM 124 N THR A 10 8.408 -11.786 -20.620 1.00 0.00 N ATOM 125 CA THR A 10 8.446 -12.258 -19.244 1.00 0.00 C ATOM 126 C THR A 10 7.773 -11.249 -18.321 1.00 0.00 C ATOM 127 O THR A 10 7.860 -11.355 -17.098 1.00 0.00 O ATOM 128 CB THR A 10 9.894 -12.480 -18.801 1.00 0.00 C ATOM 129 OG1 THR A 10 10.647 -12.992 -19.893 1.00 0.00 O ATOM 130 CG2 THR A 10 9.925 -13.481 -17.643 1.00 0.00 C ATOM 0 H THR A 10 9.315 -11.537 -21.014 1.00 0.00 H new ATOM 0 HA THR A 10 7.908 -13.204 -19.187 1.00 0.00 H new ATOM 0 HB THR A 10 10.325 -11.534 -18.473 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.575 -13.133 -19.612 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.956 -13.640 -17.327 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.345 -13.089 -16.807 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.496 -14.428 -17.969 1.00 0.00 H new ATOM 138 N SER A 11 7.097 -10.271 -18.917 1.00 0.00 N ATOM 139 CA SER A 11 6.406 -9.251 -18.137 1.00 0.00 C ATOM 140 C SER A 11 5.840 -9.864 -16.861 1.00 0.00 C ATOM 141 O SER A 11 4.707 -10.347 -16.840 1.00 0.00 O ATOM 142 CB SER A 11 5.275 -8.634 -18.966 1.00 0.00 C ATOM 143 OG SER A 11 4.048 -9.280 -18.653 1.00 0.00 O ATOM 0 H SER A 11 7.013 -10.164 -19.928 1.00 0.00 H new ATOM 0 HA SER A 11 7.117 -8.469 -17.870 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.199 -7.567 -18.759 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.491 -8.738 -20.029 1.00 0.00 H new ATOM 0 HG SER A 11 4.223 -10.054 -18.078 1.00 0.00 H new ATOM 149 N GLU A 12 6.640 -9.855 -15.799 1.00 0.00 N ATOM 150 CA GLU A 12 6.209 -10.427 -14.531 1.00 0.00 C ATOM 151 C GLU A 12 5.618 -9.351 -13.624 1.00 0.00 C ATOM 152 O GLU A 12 6.306 -8.415 -13.221 1.00 0.00 O ATOM 153 CB GLU A 12 7.403 -11.092 -13.842 1.00 0.00 C ATOM 154 CG GLU A 12 6.928 -11.843 -12.598 1.00 0.00 C ATOM 155 CD GLU A 12 8.117 -12.487 -11.894 1.00 0.00 C ATOM 156 OE1 GLU A 12 9.066 -12.836 -12.577 1.00 0.00 O ATOM 157 OE2 GLU A 12 8.064 -12.618 -10.682 1.00 0.00 O ATOM 0 H GLU A 12 7.581 -9.462 -15.792 1.00 0.00 H new ATOM 0 HA GLU A 12 5.436 -11.171 -14.726 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.894 -11.781 -14.529 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.141 -10.339 -13.564 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.421 -11.157 -11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.203 -12.607 -12.879 1.00 0.00 H new ATOM 164 N SER A 13 4.334 -9.499 -13.307 1.00 0.00 N ATOM 165 CA SER A 13 3.648 -8.541 -12.443 1.00 0.00 C ATOM 166 C SER A 13 3.691 -9.003 -10.989 1.00 0.00 C ATOM 167 O SER A 13 3.328 -8.258 -10.079 1.00 0.00 O ATOM 168 CB SER A 13 2.193 -8.398 -12.885 1.00 0.00 C ATOM 169 OG SER A 13 1.485 -9.580 -12.538 1.00 0.00 O ATOM 0 H SER A 13 3.750 -10.269 -13.633 1.00 0.00 H new ATOM 0 HA SER A 13 4.154 -7.579 -12.523 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.737 -7.532 -12.405 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.141 -8.230 -13.961 1.00 0.00 H new ATOM 0 HG SER A 13 0.549 -9.495 -12.817 1.00 0.00 H new ATOM 175 N VAL A 14 4.124 -10.242 -10.781 1.00 0.00 N ATOM 176 CA VAL A 14 4.200 -10.804 -9.438 1.00 0.00 C ATOM 177 C VAL A 14 5.314 -10.145 -8.629 1.00 0.00 C ATOM 178 O VAL A 14 5.305 -10.189 -7.400 1.00 0.00 O ATOM 179 CB VAL A 14 4.452 -12.311 -9.524 1.00 0.00 C ATOM 180 CG1 VAL A 14 4.601 -12.890 -8.114 1.00 0.00 C ATOM 181 CG2 VAL A 14 3.273 -12.987 -10.226 1.00 0.00 C ATOM 0 H VAL A 14 4.427 -10.874 -11.522 1.00 0.00 H new ATOM 0 HA VAL A 14 3.252 -10.615 -8.934 1.00 0.00 H new ATOM 0 HB VAL A 14 5.367 -12.491 -10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.780 -13.963 -8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.441 -12.411 -7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.688 -12.708 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.453 -14.060 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.359 -12.804 -9.661 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.166 -12.579 -11.231 1.00 0.00 H new ATOM 191 N THR A 15 6.278 -9.544 -9.323 1.00 0.00 N ATOM 192 CA THR A 15 7.399 -8.892 -8.648 1.00 0.00 C ATOM 193 C THR A 15 6.960 -8.286 -7.319 1.00 0.00 C ATOM 194 O THR A 15 6.787 -8.992 -6.327 1.00 0.00 O ATOM 195 CB THR A 15 7.990 -7.790 -9.531 1.00 0.00 C ATOM 196 OG1 THR A 15 8.619 -8.377 -10.662 1.00 0.00 O ATOM 197 CG2 THR A 15 9.019 -6.986 -8.727 1.00 0.00 C ATOM 0 H THR A 15 6.307 -9.495 -10.341 1.00 0.00 H new ATOM 0 HA THR A 15 8.156 -9.653 -8.459 1.00 0.00 H new ATOM 0 HB THR A 15 7.194 -7.124 -9.865 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.996 -7.672 -11.229 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.440 -6.201 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.533 -6.536 -7.861 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.817 -7.649 -8.391 1.00 0.00 H new ATOM 205 N GLU A 16 6.788 -6.973 -7.303 1.00 0.00 N ATOM 206 CA GLU A 16 6.379 -6.292 -6.086 1.00 0.00 C ATOM 207 C GLU A 16 6.946 -7.006 -4.858 1.00 0.00 C ATOM 208 O GLU A 16 6.359 -6.957 -3.780 1.00 0.00 O ATOM 209 CB GLU A 16 4.849 -6.240 -6.012 1.00 0.00 C ATOM 210 CG GLU A 16 4.289 -7.616 -5.638 1.00 0.00 C ATOM 211 CD GLU A 16 2.769 -7.609 -5.759 1.00 0.00 C ATOM 212 OE1 GLU A 16 2.281 -7.324 -6.840 1.00 0.00 O ATOM 213 OE2 GLU A 16 2.115 -7.893 -4.770 1.00 0.00 O ATOM 0 H GLU A 16 6.924 -6.364 -8.110 1.00 0.00 H new ATOM 0 HA GLU A 16 6.770 -5.275 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.539 -5.500 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.442 -5.923 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.711 -8.380 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.580 -7.872 -4.619 1.00 0.00 H new ATOM 220 N ILE A 17 8.094 -7.668 -5.023 1.00 0.00 N ATOM 221 CA ILE A 17 8.709 -8.383 -3.907 1.00 0.00 C ATOM 222 C ILE A 17 9.525 -7.434 -3.031 1.00 0.00 C ATOM 223 O ILE A 17 9.049 -6.985 -1.988 1.00 0.00 O ATOM 224 CB ILE A 17 9.628 -9.501 -4.419 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.872 -10.398 -5.400 1.00 0.00 C ATOM 226 CG2 ILE A 17 10.108 -10.344 -3.238 1.00 0.00 C ATOM 227 CD1 ILE A 17 9.689 -11.666 -5.660 1.00 0.00 C ATOM 0 H ILE A 17 8.607 -7.723 -5.903 1.00 0.00 H new ATOM 0 HA ILE A 17 7.903 -8.816 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 17 10.481 -9.052 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.895 -10.658 -4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.697 -9.867 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.761 -11.139 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.657 -9.713 -2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.249 -10.783 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.153 -12.308 -6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.656 -11.395 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.841 -12.199 -4.722 1.00 0.00 H new ATOM 239 N THR A 18 10.752 -7.141 -3.466 1.00 0.00 N ATOM 240 CA THR A 18 11.647 -6.252 -2.724 1.00 0.00 C ATOM 241 C THR A 18 11.109 -5.970 -1.327 1.00 0.00 C ATOM 242 O THR A 18 10.207 -5.152 -1.154 1.00 0.00 O ATOM 243 CB THR A 18 11.817 -4.938 -3.486 1.00 0.00 C ATOM 244 OG1 THR A 18 10.774 -4.044 -3.122 1.00 0.00 O ATOM 245 CG2 THR A 18 11.758 -5.212 -4.989 1.00 0.00 C ATOM 0 H THR A 18 11.149 -7.508 -4.331 1.00 0.00 H new ATOM 0 HA THR A 18 12.613 -6.747 -2.624 1.00 0.00 H new ATOM 0 HB THR A 18 12.780 -4.492 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.054 -4.543 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.879 -4.276 -5.534 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.558 -5.899 -5.265 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.795 -5.656 -5.240 1.00 0.00 H new ATOM 253 N ALA A 19 11.659 -6.659 -0.330 1.00 0.00 N ATOM 254 CA ALA A 19 11.209 -6.474 1.043 1.00 0.00 C ATOM 255 C ALA A 19 9.817 -7.073 1.219 1.00 0.00 C ATOM 256 O ALA A 19 9.027 -6.609 2.042 1.00 0.00 O ATOM 257 CB ALA A 19 11.182 -4.983 1.386 1.00 0.00 C ATOM 0 H ALA A 19 12.408 -7.342 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 19 11.901 -6.981 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.845 -4.852 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.183 -4.566 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.499 -4.467 0.712 1.00 0.00 H new ATOM 263 N SER A 20 9.527 -8.111 0.437 1.00 0.00 N ATOM 264 CA SER A 20 8.229 -8.773 0.509 1.00 0.00 C ATOM 265 C SER A 20 7.104 -7.766 0.295 1.00 0.00 C ATOM 266 O SER A 20 5.973 -7.980 0.727 1.00 0.00 O ATOM 267 CB SER A 20 8.068 -9.446 1.872 1.00 0.00 C ATOM 268 OG SER A 20 8.727 -8.665 2.859 1.00 0.00 O ATOM 0 H SER A 20 10.169 -8.509 -0.249 1.00 0.00 H new ATOM 0 HA SER A 20 8.177 -9.527 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.011 -9.548 2.118 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.488 -10.451 1.846 1.00 0.00 H new ATOM 0 HG SER A 20 8.401 -7.742 2.817 1.00 0.00 H new ATOM 274 N SER A 21 7.431 -6.664 -0.370 1.00 0.00 N ATOM 275 CA SER A 21 6.454 -5.617 -0.634 1.00 0.00 C ATOM 276 C SER A 21 5.320 -6.125 -1.517 1.00 0.00 C ATOM 277 O SER A 21 5.282 -7.296 -1.895 1.00 0.00 O ATOM 278 CB SER A 21 7.134 -4.440 -1.336 1.00 0.00 C ATOM 279 OG SER A 21 7.077 -4.637 -2.743 1.00 0.00 O ATOM 0 H SER A 21 8.364 -6.473 -0.735 1.00 0.00 H new ATOM 0 HA SER A 21 6.039 -5.301 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.640 -3.506 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.171 -4.357 -1.010 1.00 0.00 H new ATOM 0 HG SER A 21 7.160 -5.593 -2.943 1.00 0.00 H new ATOM 285 N PHE A 22 4.408 -5.217 -1.849 1.00 0.00 N ATOM 286 CA PHE A 22 3.273 -5.540 -2.709 1.00 0.00 C ATOM 287 C PHE A 22 2.892 -4.330 -3.539 1.00 0.00 C ATOM 288 O PHE A 22 2.919 -3.204 -3.049 1.00 0.00 O ATOM 289 CB PHE A 22 2.019 -5.900 -1.898 1.00 0.00 C ATOM 290 CG PHE A 22 2.127 -7.223 -1.181 1.00 0.00 C ATOM 291 CD1 PHE A 22 2.672 -8.354 -1.804 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.630 -7.313 0.118 1.00 0.00 C ATOM 293 CE1 PHE A 22 2.719 -9.571 -1.116 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.679 -8.527 0.806 1.00 0.00 C ATOM 295 CZ PHE A 22 2.223 -9.658 0.189 1.00 0.00 C ATOM 0 H PHE A 22 4.433 -4.247 -1.534 1.00 0.00 H new ATOM 0 HA PHE A 22 3.586 -6.385 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.830 -5.114 -1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.159 -5.927 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.054 -8.286 -2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.206 -6.441 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.139 -10.444 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.297 -8.593 1.814 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.260 -10.598 0.720 1.00 0.00 H new ATOM 305 N VAL A 23 2.471 -4.567 -4.768 1.00 0.00 N ATOM 306 CA VAL A 23 2.012 -3.478 -5.606 1.00 0.00 C ATOM 307 C VAL A 23 0.540 -3.710 -5.899 1.00 0.00 C ATOM 308 O VAL A 23 0.185 -4.549 -6.727 1.00 0.00 O ATOM 309 CB VAL A 23 2.804 -3.411 -6.912 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.016 -2.586 -7.925 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.155 -2.735 -6.656 1.00 0.00 C ATOM 0 H VAL A 23 2.438 -5.490 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 23 2.160 -2.530 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 23 2.968 -4.418 -7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.572 -2.531 -8.861 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.049 -3.056 -8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.863 -1.580 -7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.720 -2.687 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.991 -1.726 -6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.716 -3.311 -5.920 1.00 0.00 H new ATOM 321 N VAL A 24 -0.313 -2.986 -5.192 1.00 0.00 N ATOM 322 CA VAL A 24 -1.747 -3.150 -5.363 1.00 0.00 C ATOM 323 C VAL A 24 -2.370 -1.927 -6.015 1.00 0.00 C ATOM 324 O VAL A 24 -2.075 -0.791 -5.643 1.00 0.00 O ATOM 325 CB VAL A 24 -2.395 -3.403 -4.000 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.919 -3.441 -4.157 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.902 -4.745 -3.444 1.00 0.00 C ATOM 0 H VAL A 24 -0.041 -2.286 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.921 -4.003 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.123 -2.602 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.380 -3.621 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.268 -2.487 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.194 -4.242 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.362 -4.928 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.175 -5.546 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.818 -4.716 -3.332 1.00 0.00 H new ATOM 337 N SER A 25 -3.241 -2.172 -6.990 1.00 0.00 N ATOM 338 CA SER A 25 -3.912 -1.089 -7.689 1.00 0.00 C ATOM 339 C SER A 25 -5.419 -1.277 -7.635 1.00 0.00 C ATOM 340 O SER A 25 -5.914 -2.395 -7.494 1.00 0.00 O ATOM 341 CB SER A 25 -3.453 -1.033 -9.147 1.00 0.00 C ATOM 342 OG SER A 25 -3.886 -2.208 -9.820 1.00 0.00 O ATOM 0 H SER A 25 -3.495 -3.107 -7.310 1.00 0.00 H new ATOM 0 HA SER A 25 -3.653 -0.151 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.862 -0.148 -9.635 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.367 -0.951 -9.196 1.00 0.00 H new ATOM 0 HG SER A 25 -3.595 -2.175 -10.755 1.00 0.00 H new ATOM 348 N TRP A 26 -6.144 -0.173 -7.740 1.00 0.00 N ATOM 349 CA TRP A 26 -7.591 -0.218 -7.694 1.00 0.00 C ATOM 350 C TRP A 26 -8.175 0.817 -8.646 1.00 0.00 C ATOM 351 O TRP A 26 -7.439 1.535 -9.320 1.00 0.00 O ATOM 352 CB TRP A 26 -8.061 0.065 -6.269 1.00 0.00 C ATOM 353 CG TRP A 26 -7.408 1.318 -5.790 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.901 2.560 -5.970 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.150 1.477 -5.071 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.031 3.475 -5.408 1.00 0.00 N ATOM 357 CE2 TRP A 26 -5.936 2.857 -4.840 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.185 0.568 -4.601 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.805 3.319 -4.167 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.045 1.029 -3.923 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.855 2.402 -3.706 1.00 0.00 C ATOM 0 H TRP A 26 -5.752 0.761 -7.857 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.931 -1.208 -7.999 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.146 0.170 -6.243 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.806 -0.768 -5.614 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.826 2.801 -6.472 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.180 4.484 -5.413 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.322 -0.491 -4.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.664 4.377 -4.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.310 0.322 -3.566 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -2.976 2.750 -3.184 1.00 0.00 H new ATOM 372 N VAL A 27 -9.497 0.895 -8.691 1.00 0.00 N ATOM 373 CA VAL A 27 -10.156 1.855 -9.563 1.00 0.00 C ATOM 374 C VAL A 27 -10.988 2.826 -8.736 1.00 0.00 C ATOM 375 O VAL A 27 -11.786 2.412 -7.895 1.00 0.00 O ATOM 376 CB VAL A 27 -11.057 1.128 -10.562 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.629 2.134 -11.564 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.241 0.069 -11.309 1.00 0.00 C ATOM 0 H VAL A 27 -10.128 0.312 -8.141 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.394 2.411 -10.109 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.875 0.646 -10.027 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.271 1.614 -12.275 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.211 2.886 -11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.813 2.619 -12.099 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.883 -0.449 -12.021 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.422 0.551 -11.843 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.837 -0.649 -10.595 1.00 0.00 H new ATOM 388 N SER A 28 -10.798 4.116 -8.977 1.00 0.00 N ATOM 389 CA SER A 28 -11.542 5.128 -8.238 1.00 0.00 C ATOM 390 C SER A 28 -13.036 4.809 -8.254 1.00 0.00 C ATOM 391 O SER A 28 -13.627 4.611 -9.314 1.00 0.00 O ATOM 392 CB SER A 28 -11.308 6.506 -8.856 1.00 0.00 C ATOM 393 OG SER A 28 -12.060 6.613 -10.058 1.00 0.00 O ATOM 0 H SER A 28 -10.145 4.484 -9.669 1.00 0.00 H new ATOM 0 HA SER A 28 -11.190 5.130 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.605 7.287 -8.156 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.247 6.650 -9.062 1.00 0.00 H new ATOM 0 HG SER A 28 -12.529 5.769 -10.227 1.00 0.00 H new ATOM 399 N ALA A 29 -13.640 4.763 -7.069 1.00 0.00 N ATOM 400 CA ALA A 29 -15.066 4.471 -6.955 1.00 0.00 C ATOM 401 C ALA A 29 -15.876 5.756 -6.993 1.00 0.00 C ATOM 402 O ALA A 29 -17.097 5.741 -6.846 1.00 0.00 O ATOM 403 CB ALA A 29 -15.348 3.730 -5.648 1.00 0.00 C ATOM 0 H ALA A 29 -13.167 4.923 -6.179 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.356 3.843 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.414 3.517 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.789 2.794 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.042 4.350 -4.805 1.00 0.00 H new ATOM 409 N SER A 30 -15.185 6.867 -7.186 1.00 0.00 N ATOM 410 CA SER A 30 -15.841 8.161 -7.232 1.00 0.00 C ATOM 411 C SER A 30 -14.839 9.238 -7.605 1.00 0.00 C ATOM 412 O SER A 30 -13.644 9.090 -7.362 1.00 0.00 O ATOM 413 CB SER A 30 -16.443 8.475 -5.867 1.00 0.00 C ATOM 414 OG SER A 30 -17.676 7.782 -5.724 1.00 0.00 O ATOM 0 H SER A 30 -14.173 6.898 -7.313 1.00 0.00 H new ATOM 0 HA SER A 30 -16.631 8.134 -7.982 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.753 8.179 -5.076 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.603 9.548 -5.766 1.00 0.00 H new ATOM 0 HG SER A 30 -17.771 7.130 -6.449 1.00 0.00 H new ATOM 420 N ASP A 31 -15.325 10.319 -8.200 1.00 0.00 N ATOM 421 CA ASP A 31 -14.447 11.409 -8.595 1.00 0.00 C ATOM 422 C ASP A 31 -14.475 12.517 -7.547 1.00 0.00 C ATOM 423 O ASP A 31 -13.826 13.551 -7.703 1.00 0.00 O ATOM 424 CB ASP A 31 -14.882 11.961 -9.953 1.00 0.00 C ATOM 425 CG ASP A 31 -14.700 10.894 -11.028 1.00 0.00 C ATOM 426 OD1 ASP A 31 -14.095 9.877 -10.729 1.00 0.00 O ATOM 427 OD2 ASP A 31 -15.171 11.106 -12.133 1.00 0.00 O ATOM 0 H ASP A 31 -16.311 10.463 -8.417 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.428 11.029 -8.674 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.925 12.274 -9.911 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.294 12.845 -10.202 1.00 0.00 H new ATOM 432 N THR A 32 -15.237 12.291 -6.479 1.00 0.00 N ATOM 433 CA THR A 32 -15.352 13.265 -5.407 1.00 0.00 C ATOM 434 C THR A 32 -14.373 12.948 -4.282 1.00 0.00 C ATOM 435 O THR A 32 -14.291 13.676 -3.292 1.00 0.00 O ATOM 436 CB THR A 32 -16.778 13.247 -4.864 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.050 11.973 -4.298 1.00 0.00 O ATOM 438 CG2 THR A 32 -17.763 13.525 -6.000 1.00 0.00 C ATOM 0 H THR A 32 -15.782 11.441 -6.337 1.00 0.00 H new ATOM 0 HA THR A 32 -15.115 14.253 -5.802 1.00 0.00 H new ATOM 0 HB THR A 32 -16.886 14.016 -4.099 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.965 11.960 -3.947 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.781 13.512 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.553 14.503 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.658 12.759 -6.768 1.00 0.00 H new ATOM 446 N VAL A 33 -13.635 11.859 -4.444 1.00 0.00 N ATOM 447 CA VAL A 33 -12.662 11.445 -3.448 1.00 0.00 C ATOM 448 C VAL A 33 -11.609 12.528 -3.248 1.00 0.00 C ATOM 449 O VAL A 33 -11.144 13.141 -4.209 1.00 0.00 O ATOM 450 CB VAL A 33 -11.990 10.158 -3.921 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.546 10.339 -5.369 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.772 9.850 -3.056 1.00 0.00 C ATOM 0 H VAL A 33 -13.693 11.247 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.169 11.277 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.697 9.332 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.064 9.426 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.415 10.552 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.841 11.168 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.302 8.930 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.059 10.671 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.084 9.729 -2.019 1.00 0.00 H new ATOM 462 N SER A 34 -11.236 12.756 -1.995 1.00 0.00 N ATOM 463 CA SER A 34 -10.231 13.762 -1.679 1.00 0.00 C ATOM 464 C SER A 34 -8.858 13.108 -1.621 1.00 0.00 C ATOM 465 O SER A 34 -7.828 13.780 -1.664 1.00 0.00 O ATOM 466 CB SER A 34 -10.551 14.415 -0.334 1.00 0.00 C ATOM 467 OG SER A 34 -11.628 15.329 -0.499 1.00 0.00 O ATOM 0 H SER A 34 -11.612 12.261 -1.186 1.00 0.00 H new ATOM 0 HA SER A 34 -10.234 14.529 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.815 13.653 0.399 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.673 14.935 0.049 1.00 0.00 H new ATOM 0 HG SER A 34 -11.763 15.507 -1.453 1.00 0.00 H new ATOM 473 N GLY A 35 -8.865 11.786 -1.527 1.00 0.00 N ATOM 474 CA GLY A 35 -7.634 11.015 -1.467 1.00 0.00 C ATOM 475 C GLY A 35 -7.957 9.545 -1.249 1.00 0.00 C ATOM 476 O GLY A 35 -9.122 9.163 -1.174 1.00 0.00 O ATOM 0 H GLY A 35 -9.715 11.224 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.071 11.140 -2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.003 11.382 -0.657 1.00 0.00 H new ATOM 480 N PHE A 36 -6.928 8.726 -1.129 1.00 0.00 N ATOM 481 CA PHE A 36 -7.130 7.303 -0.893 1.00 0.00 C ATOM 482 C PHE A 36 -6.427 6.870 0.379 1.00 0.00 C ATOM 483 O PHE A 36 -5.385 7.414 0.743 1.00 0.00 O ATOM 484 CB PHE A 36 -6.594 6.482 -2.065 1.00 0.00 C ATOM 485 CG PHE A 36 -7.519 6.629 -3.244 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.637 5.797 -3.363 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.258 7.598 -4.216 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.497 5.934 -4.459 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.115 7.737 -5.311 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.236 6.905 -5.434 1.00 0.00 C ATOM 0 H PHE A 36 -5.952 9.015 -1.190 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.201 7.130 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.592 6.819 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.513 5.433 -1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.837 5.049 -2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.394 8.239 -4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.360 5.292 -4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.913 8.486 -6.063 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.898 7.013 -6.280 1.00 0.00 H new ATOM 500 N ARG A 37 -6.986 5.871 1.039 1.00 0.00 N ATOM 501 CA ARG A 37 -6.384 5.358 2.251 1.00 0.00 C ATOM 502 C ARG A 37 -6.223 3.856 2.116 1.00 0.00 C ATOM 503 O ARG A 37 -7.199 3.126 1.952 1.00 0.00 O ATOM 504 CB ARG A 37 -7.247 5.687 3.470 1.00 0.00 C ATOM 505 CG ARG A 37 -6.409 5.516 4.739 1.00 0.00 C ATOM 506 CD ARG A 37 -7.226 5.933 5.964 1.00 0.00 C ATOM 507 NE ARG A 37 -8.135 4.863 6.357 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.365 4.594 7.639 1.00 0.00 C ATOM 509 NH1 ARG A 37 -7.798 5.312 8.570 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.166 3.617 7.966 1.00 0.00 N ATOM 0 H ARG A 37 -7.848 5.404 0.757 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.410 5.827 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.621 6.709 3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.117 5.031 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.092 4.478 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.504 6.120 4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.557 6.173 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.793 6.837 5.740 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.602 4.312 5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.178 6.080 8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.975 5.105 9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.615 3.060 7.239 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.343 3.410 8.949 1.00 0.00 H new ATOM 524 N VAL A 38 -4.982 3.403 2.175 1.00 0.00 N ATOM 525 CA VAL A 38 -4.698 1.983 2.047 1.00 0.00 C ATOM 526 C VAL A 38 -4.390 1.385 3.408 1.00 0.00 C ATOM 527 O VAL A 38 -3.603 1.941 4.172 1.00 0.00 O ATOM 528 CB VAL A 38 -3.512 1.774 1.104 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.209 0.281 0.987 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.856 2.336 -0.277 1.00 0.00 C ATOM 0 H VAL A 38 -4.160 3.992 2.310 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.575 1.483 1.635 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.637 2.290 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.364 0.133 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.964 -0.119 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.082 -0.238 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.012 2.188 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.731 1.820 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.071 3.401 -0.193 1.00 0.00 H new ATOM 540 N GLU A 39 -5.015 0.254 3.711 1.00 0.00 N ATOM 541 CA GLU A 39 -4.793 -0.391 4.995 1.00 0.00 C ATOM 542 C GLU A 39 -4.279 -1.811 4.811 1.00 0.00 C ATOM 543 O GLU A 39 -4.806 -2.573 4.001 1.00 0.00 O ATOM 544 CB GLU A 39 -6.097 -0.439 5.791 1.00 0.00 C ATOM 545 CG GLU A 39 -5.811 -0.957 7.203 1.00 0.00 C ATOM 546 CD GLU A 39 -7.118 -1.190 7.952 1.00 0.00 C ATOM 547 OE1 GLU A 39 -8.161 -0.899 7.388 1.00 0.00 O ATOM 548 OE2 GLU A 39 -7.058 -1.652 9.079 1.00 0.00 O ATOM 0 H GLU A 39 -5.669 -0.228 3.095 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.047 0.191 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.543 0.554 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.817 -1.088 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.243 -1.886 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.196 -0.238 7.745 1.00 0.00 H new ATOM 555 N TYR A 40 -3.259 -2.166 5.583 1.00 0.00 N ATOM 556 CA TYR A 40 -2.697 -3.507 5.511 1.00 0.00 C ATOM 557 C TYR A 40 -2.329 -4.016 6.900 1.00 0.00 C ATOM 558 O TYR A 40 -1.777 -3.283 7.719 1.00 0.00 O ATOM 559 CB TYR A 40 -1.475 -3.529 4.592 1.00 0.00 C ATOM 560 CG TYR A 40 -0.401 -2.615 5.130 1.00 0.00 C ATOM 561 CD1 TYR A 40 0.553 -3.105 6.030 1.00 0.00 C ATOM 562 CD2 TYR A 40 -0.351 -1.281 4.712 1.00 0.00 C ATOM 563 CE1 TYR A 40 1.558 -2.257 6.514 1.00 0.00 C ATOM 564 CE2 TYR A 40 0.650 -0.433 5.197 1.00 0.00 C ATOM 565 CZ TYR A 40 1.606 -0.921 6.097 1.00 0.00 C ATOM 566 OH TYR A 40 2.595 -0.085 6.574 1.00 0.00 O ATOM 0 H TYR A 40 -2.808 -1.550 6.260 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.455 -4.170 5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.090 -4.546 4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.760 -3.215 3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.514 -4.136 6.351 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.085 -0.906 4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.295 -2.633 7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.686 0.598 4.878 1.00 0.00 H new ATOM 0 HH TYR A 40 3.021 -0.495 7.355 1.00 0.00 H new ATOM 576 N GLU A 41 -2.655 -5.280 7.157 1.00 0.00 N ATOM 577 CA GLU A 41 -2.373 -5.892 8.449 1.00 0.00 C ATOM 578 C GLU A 41 -2.113 -7.385 8.279 1.00 0.00 C ATOM 579 O GLU A 41 -2.490 -7.974 7.267 1.00 0.00 O ATOM 580 CB GLU A 41 -3.566 -5.676 9.382 1.00 0.00 C ATOM 581 CG GLU A 41 -4.735 -6.545 8.920 1.00 0.00 C ATOM 582 CD GLU A 41 -6.021 -6.095 9.607 1.00 0.00 C ATOM 583 OE1 GLU A 41 -6.551 -5.069 9.211 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.456 -6.782 10.516 1.00 0.00 O ATOM 0 H GLU A 41 -3.114 -5.898 6.488 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.484 -5.430 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.292 -5.930 10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.857 -4.626 9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.847 -6.474 7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.536 -7.591 9.152 1.00 0.00 H new ATOM 591 N LEU A 42 -1.471 -7.995 9.269 1.00 0.00 N ATOM 592 CA LEU A 42 -1.178 -9.424 9.199 1.00 0.00 C ATOM 593 C LEU A 42 -2.439 -10.244 9.436 1.00 0.00 C ATOM 594 O LEU A 42 -3.136 -10.056 10.433 1.00 0.00 O ATOM 595 CB LEU A 42 -0.128 -9.804 10.241 1.00 0.00 C ATOM 596 CG LEU A 42 1.236 -9.271 9.810 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.178 -9.257 11.011 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.817 -10.180 8.724 1.00 0.00 C ATOM 0 H LEU A 42 -1.147 -7.532 10.118 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.794 -9.639 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.400 -9.393 11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.088 -10.887 10.353 1.00 0.00 H new ATOM 0 HG LEU A 42 1.124 -8.259 9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.152 -8.877 10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.766 -8.615 11.789 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.289 -10.270 11.398 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.791 -9.801 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.929 -11.191 9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.145 -10.197 7.866 1.00 0.00 H new ATOM 610 N SER A 43 -2.719 -11.159 8.516 1.00 0.00 N ATOM 611 CA SER A 43 -3.894 -12.012 8.637 1.00 0.00 C ATOM 612 C SER A 43 -3.692 -13.013 9.766 1.00 0.00 C ATOM 613 O SER A 43 -4.649 -13.535 10.335 1.00 0.00 O ATOM 614 CB SER A 43 -4.117 -12.775 7.333 1.00 0.00 C ATOM 615 OG SER A 43 -3.249 -13.901 7.300 1.00 0.00 O ATOM 0 H SER A 43 -2.153 -11.329 7.684 1.00 0.00 H new ATOM 0 HA SER A 43 -4.761 -11.387 8.850 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.155 -13.098 7.259 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.924 -12.126 6.479 1.00 0.00 H new ATOM 0 HG SER A 43 -3.775 -14.722 7.397 1.00 0.00 H new ATOM 621 N GLU A 44 -2.428 -13.282 10.070 1.00 0.00 N ATOM 622 CA GLU A 44 -2.080 -14.233 11.116 1.00 0.00 C ATOM 623 C GLU A 44 -2.038 -13.555 12.479 1.00 0.00 C ATOM 624 O GLU A 44 -2.928 -13.743 13.307 1.00 0.00 O ATOM 625 CB GLU A 44 -0.709 -14.839 10.819 1.00 0.00 C ATOM 626 CG GLU A 44 -0.697 -15.413 9.403 1.00 0.00 C ATOM 627 CD GLU A 44 0.647 -16.078 9.122 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.587 -15.801 9.850 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.718 -16.849 8.178 1.00 0.00 O ATOM 0 H GLU A 44 -1.627 -12.854 9.606 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.842 -15.013 11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.065 -14.079 10.920 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.483 -15.623 11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.502 -16.139 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.878 -14.619 8.678 1.00 0.00 H new ATOM 636 N GLU A 45 -0.986 -12.777 12.710 1.00 0.00 N ATOM 637 CA GLU A 45 -0.816 -12.088 13.979 1.00 0.00 C ATOM 638 C GLU A 45 -2.007 -11.180 14.270 1.00 0.00 C ATOM 639 O GLU A 45 -2.411 -11.023 15.422 1.00 0.00 O ATOM 640 CB GLU A 45 0.462 -11.251 13.938 1.00 0.00 C ATOM 641 CG GLU A 45 1.654 -12.147 13.595 1.00 0.00 C ATOM 642 CD GLU A 45 2.954 -11.371 13.775 1.00 0.00 C ATOM 643 OE1 GLU A 45 2.880 -10.190 14.071 1.00 0.00 O ATOM 644 OE2 GLU A 45 4.005 -11.970 13.613 1.00 0.00 O ATOM 0 H GLU A 45 -0.240 -12.609 12.034 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.748 -12.835 14.770 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.365 -10.458 13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.623 -10.768 14.902 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.654 -13.028 14.236 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.571 -12.501 12.567 1.00 0.00 H new ATOM 651 N GLY A 46 -2.563 -10.583 13.224 1.00 0.00 N ATOM 652 CA GLY A 46 -3.703 -9.691 13.389 1.00 0.00 C ATOM 653 C GLY A 46 -3.276 -8.398 14.076 1.00 0.00 C ATOM 654 O GLY A 46 -4.108 -7.652 14.594 1.00 0.00 O ATOM 0 H GLY A 46 -2.247 -10.698 12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.139 -9.466 12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.476 -10.185 13.978 1.00 0.00 H new ATOM 658 N ASP A 47 -1.971 -8.141 14.076 1.00 0.00 N ATOM 659 CA ASP A 47 -1.438 -6.937 14.703 1.00 0.00 C ATOM 660 C ASP A 47 -2.251 -5.716 14.295 1.00 0.00 C ATOM 661 O ASP A 47 -3.236 -5.831 13.563 1.00 0.00 O ATOM 662 CB ASP A 47 0.023 -6.742 14.302 1.00 0.00 C ATOM 663 CG ASP A 47 0.587 -5.498 14.974 1.00 0.00 C ATOM 664 OD1 ASP A 47 0.946 -5.588 16.136 1.00 0.00 O ATOM 665 OD2 ASP A 47 0.653 -4.474 14.316 1.00 0.00 O ATOM 0 H ASP A 47 -1.268 -8.746 13.652 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.502 -7.054 15.785 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.607 -7.616 14.589 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.102 -6.647 13.219 1.00 0.00 H new ATOM 670 N GLU A 48 -1.842 -4.550 14.779 1.00 0.00 N ATOM 671 CA GLU A 48 -2.556 -3.322 14.458 1.00 0.00 C ATOM 672 C GLU A 48 -2.381 -2.964 12.986 1.00 0.00 C ATOM 673 O GLU A 48 -1.291 -3.096 12.431 1.00 0.00 O ATOM 674 CB GLU A 48 -2.042 -2.170 15.316 1.00 0.00 C ATOM 675 CG GLU A 48 -0.517 -2.240 15.417 1.00 0.00 C ATOM 676 CD GLU A 48 0.032 -0.922 15.953 1.00 0.00 C ATOM 677 OE1 GLU A 48 0.236 -0.020 15.157 1.00 0.00 O ATOM 678 OE2 GLU A 48 0.241 -0.833 17.151 1.00 0.00 O ATOM 0 H GLU A 48 -1.032 -4.429 15.386 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.614 -3.487 14.663 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.344 -1.217 14.881 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.484 -2.220 16.311 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.225 -3.059 16.074 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.089 -2.450 14.437 1.00 0.00 H new ATOM 685 N PRO A 49 -3.432 -2.514 12.353 1.00 0.00 N ATOM 686 CA PRO A 49 -3.398 -2.124 10.916 1.00 0.00 C ATOM 687 C PRO A 49 -2.605 -0.845 10.668 1.00 0.00 C ATOM 688 O PRO A 49 -2.495 0.017 11.539 1.00 0.00 O ATOM 689 CB PRO A 49 -4.871 -1.925 10.551 1.00 0.00 C ATOM 690 CG PRO A 49 -5.574 -1.646 11.837 1.00 0.00 C ATOM 691 CD PRO A 49 -4.768 -2.330 12.941 1.00 0.00 C ATOM 0 HA PRO A 49 -2.899 -2.882 10.312 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.992 -1.098 9.852 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.278 -2.813 10.068 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.640 -0.573 12.016 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.594 -2.029 11.810 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.726 -1.717 13.841 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.212 -3.284 13.226 1.00 0.00 H new ATOM 699 N GLN A 50 -2.075 -0.730 9.457 1.00 0.00 N ATOM 700 CA GLN A 50 -1.310 0.445 9.060 1.00 0.00 C ATOM 701 C GLN A 50 -2.064 1.165 7.953 1.00 0.00 C ATOM 702 O GLN A 50 -2.710 0.521 7.133 1.00 0.00 O ATOM 703 CB GLN A 50 0.066 0.020 8.551 1.00 0.00 C ATOM 704 CG GLN A 50 0.960 -0.346 9.735 1.00 0.00 C ATOM 705 CD GLN A 50 1.870 -1.507 9.357 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.067 -1.314 9.141 1.00 0.00 O ATOM 707 NE2 GLN A 50 1.372 -2.710 9.264 1.00 0.00 N ATOM 0 H GLN A 50 -2.162 -1.440 8.730 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.180 1.108 9.916 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.031 -0.832 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.518 0.829 7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.559 0.516 10.030 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.347 -0.618 10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.380 -2.867 9.444 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.975 -3.493 9.012 1.00 0.00 H new ATOM 716 N TYR A 51 -1.999 2.489 7.928 1.00 0.00 N ATOM 717 CA TYR A 51 -2.717 3.231 6.899 1.00 0.00 C ATOM 718 C TYR A 51 -1.795 4.144 6.100 1.00 0.00 C ATOM 719 O TYR A 51 -0.965 4.861 6.660 1.00 0.00 O ATOM 720 CB TYR A 51 -3.816 4.084 7.537 1.00 0.00 C ATOM 721 CG TYR A 51 -4.782 3.204 8.296 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.806 2.534 7.615 1.00 0.00 C ATOM 723 CD2 TYR A 51 -4.660 3.066 9.684 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.706 1.728 8.321 1.00 0.00 C ATOM 725 CE2 TYR A 51 -5.560 2.258 10.390 1.00 0.00 C ATOM 726 CZ TYR A 51 -6.583 1.591 9.707 1.00 0.00 C ATOM 727 OH TYR A 51 -7.471 0.796 10.402 1.00 0.00 O ATOM 0 H TYR A 51 -1.472 3.060 8.589 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.148 2.496 6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.373 4.817 8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.348 4.641 6.766 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.901 2.639 6.544 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.871 3.583 10.210 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.496 1.212 7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.465 2.150 11.460 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.330 -0.143 10.158 1.00 0.00 H new ATOM 737 N LEU A 52 -1.986 4.140 4.783 1.00 0.00 N ATOM 738 CA LEU A 52 -1.214 4.999 3.896 1.00 0.00 C ATOM 739 C LEU A 52 -2.171 5.920 3.156 1.00 0.00 C ATOM 740 O LEU A 52 -3.182 5.471 2.617 1.00 0.00 O ATOM 741 CB LEU A 52 -0.420 4.171 2.888 1.00 0.00 C ATOM 742 CG LEU A 52 0.533 3.239 3.628 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.304 2.389 2.617 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.522 4.072 4.447 1.00 0.00 C ATOM 0 H LEU A 52 -2.670 3.550 4.309 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.508 5.580 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.099 3.591 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.141 4.829 2.224 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.037 2.588 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.985 1.723 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.602 1.798 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.875 3.040 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.205 3.408 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.091 4.721 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.976 4.681 5.167 1.00 0.00 H new ATOM 756 N ASP A 53 -1.864 7.207 3.142 1.00 0.00 N ATOM 757 CA ASP A 53 -2.737 8.163 2.474 1.00 0.00 C ATOM 758 C ASP A 53 -2.165 8.598 1.129 1.00 0.00 C ATOM 759 O ASP A 53 -0.993 8.957 1.023 1.00 0.00 O ATOM 760 CB ASP A 53 -2.949 9.383 3.365 1.00 0.00 C ATOM 761 CG ASP A 53 -3.583 8.954 4.683 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.068 7.837 4.748 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.571 9.748 5.610 1.00 0.00 O ATOM 0 H ASP A 53 -1.034 7.610 3.576 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.693 7.672 2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.996 9.878 3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.590 10.106 2.861 1.00 0.00 H new ATOM 768 N LEU A 54 -3.015 8.567 0.106 1.00 0.00 N ATOM 769 CA LEU A 54 -2.612 8.961 -1.239 1.00 0.00 C ATOM 770 C LEU A 54 -3.621 9.966 -1.800 1.00 0.00 C ATOM 771 O LEU A 54 -4.776 9.992 -1.374 1.00 0.00 O ATOM 772 CB LEU A 54 -2.553 7.728 -2.146 1.00 0.00 C ATOM 773 CG LEU A 54 -1.970 6.539 -1.380 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.265 5.248 -2.146 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.458 6.716 -1.249 1.00 0.00 C ATOM 0 H LEU A 54 -3.988 8.272 0.184 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.625 9.422 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.552 7.484 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.941 7.941 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.420 6.486 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.850 4.399 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.343 5.123 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.812 5.301 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.039 5.871 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.010 6.766 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.245 7.638 -0.708 1.00 0.00 H new ATOM 787 N PRO A 55 -3.217 10.787 -2.734 1.00 0.00 N ATOM 788 CA PRO A 55 -4.121 11.809 -3.342 1.00 0.00 C ATOM 789 C PRO A 55 -5.250 11.181 -4.158 1.00 0.00 C ATOM 790 O PRO A 55 -5.167 10.023 -4.568 1.00 0.00 O ATOM 791 CB PRO A 55 -3.201 12.650 -4.231 1.00 0.00 C ATOM 792 CG PRO A 55 -1.994 11.809 -4.486 1.00 0.00 C ATOM 793 CD PRO A 55 -1.865 10.837 -3.312 1.00 0.00 C ATOM 0 HA PRO A 55 -4.626 12.399 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.696 12.915 -5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.929 13.584 -3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.095 11.266 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.103 12.431 -4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.538 9.852 -3.645 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.133 11.187 -2.584 1.00 0.00 H new ATOM 801 N SER A 56 -6.304 11.960 -4.388 1.00 0.00 N ATOM 802 CA SER A 56 -7.450 11.479 -5.157 1.00 0.00 C ATOM 803 C SER A 56 -7.013 11.020 -6.544 1.00 0.00 C ATOM 804 O SER A 56 -7.764 10.344 -7.246 1.00 0.00 O ATOM 805 CB SER A 56 -8.502 12.579 -5.292 1.00 0.00 C ATOM 806 OG SER A 56 -7.877 13.779 -5.726 1.00 0.00 O ATOM 0 H SER A 56 -6.389 12.921 -4.056 1.00 0.00 H new ATOM 0 HA SER A 56 -7.882 10.633 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.270 12.278 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.000 12.741 -4.336 1.00 0.00 H new ATOM 0 HG SER A 56 -8.551 14.485 -5.815 1.00 0.00 H new ATOM 812 N THR A 57 -5.795 11.386 -6.933 1.00 0.00 N ATOM 813 CA THR A 57 -5.277 10.999 -8.238 1.00 0.00 C ATOM 814 C THR A 57 -4.530 9.673 -8.140 1.00 0.00 C ATOM 815 O THR A 57 -4.160 9.081 -9.152 1.00 0.00 O ATOM 816 CB THR A 57 -4.328 12.077 -8.768 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.208 12.187 -7.900 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.058 13.420 -8.837 1.00 0.00 C ATOM 0 H THR A 57 -5.155 11.945 -6.368 1.00 0.00 H new ATOM 0 HA THR A 57 -6.118 10.887 -8.923 1.00 0.00 H new ATOM 0 HB THR A 57 -3.990 11.802 -9.767 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.598 12.875 -8.238 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.379 14.184 -9.215 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.915 13.334 -9.505 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.401 13.699 -7.841 1.00 0.00 H new ATOM 826 N ALA A 58 -4.310 9.216 -6.911 1.00 0.00 N ATOM 827 CA ALA A 58 -3.603 7.960 -6.688 1.00 0.00 C ATOM 828 C ALA A 58 -4.552 6.772 -6.806 1.00 0.00 C ATOM 829 O ALA A 58 -5.601 6.738 -6.163 1.00 0.00 O ATOM 830 CB ALA A 58 -2.958 7.964 -5.301 1.00 0.00 C ATOM 0 H ALA A 58 -4.609 9.693 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.830 7.864 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.432 7.023 -5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.252 8.791 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.730 8.081 -4.541 1.00 0.00 H new ATOM 836 N THR A 59 -4.167 5.792 -7.615 1.00 0.00 N ATOM 837 CA THR A 59 -4.985 4.598 -7.791 1.00 0.00 C ATOM 838 C THR A 59 -4.126 3.347 -7.678 1.00 0.00 C ATOM 839 O THR A 59 -4.553 2.255 -8.050 1.00 0.00 O ATOM 840 CB THR A 59 -5.677 4.619 -9.154 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.699 4.708 -10.179 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.620 5.818 -9.234 1.00 0.00 C ATOM 0 H THR A 59 -3.302 5.799 -8.155 1.00 0.00 H new ATOM 0 HA THR A 59 -5.742 4.586 -7.007 1.00 0.00 H new ATOM 0 HB THR A 59 -6.253 3.703 -9.283 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.142 4.720 -11.053 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.112 5.830 -10.207 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.372 5.743 -8.448 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.050 6.738 -9.104 1.00 0.00 H new ATOM 850 N SER A 60 -2.912 3.511 -7.166 1.00 0.00 N ATOM 851 CA SER A 60 -2.003 2.385 -7.015 1.00 0.00 C ATOM 852 C SER A 60 -0.880 2.743 -6.051 1.00 0.00 C ATOM 853 O SER A 60 -0.393 3.875 -6.047 1.00 0.00 O ATOM 854 CB SER A 60 -1.422 2.001 -8.374 1.00 0.00 C ATOM 855 OG SER A 60 -0.500 3.000 -8.792 1.00 0.00 O ATOM 0 H SER A 60 -2.538 4.406 -6.851 1.00 0.00 H new ATOM 0 HA SER A 60 -2.555 1.537 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.923 1.034 -8.309 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.221 1.898 -9.108 1.00 0.00 H new ATOM 0 HG SER A 60 -0.125 2.755 -9.663 1.00 0.00 H new ATOM 861 N VAL A 61 -0.482 1.781 -5.227 1.00 0.00 N ATOM 862 CA VAL A 61 0.573 2.028 -4.254 1.00 0.00 C ATOM 863 C VAL A 61 1.364 0.761 -3.948 1.00 0.00 C ATOM 864 O VAL A 61 0.813 -0.339 -3.920 1.00 0.00 O ATOM 865 CB VAL A 61 -0.039 2.547 -2.953 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.648 1.373 -2.179 1.00 0.00 C ATOM 867 CG2 VAL A 61 1.046 3.211 -2.103 1.00 0.00 C ATOM 0 H VAL A 61 -0.867 0.837 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 61 1.250 2.767 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.814 3.278 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.086 1.738 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.422 0.901 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.130 0.644 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.607 3.580 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.823 2.483 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.482 4.044 -2.655 1.00 0.00 H new ATOM 877 N ASN A 62 2.655 0.936 -3.686 1.00 0.00 N ATOM 878 CA ASN A 62 3.513 -0.188 -3.341 1.00 0.00 C ATOM 879 C ASN A 62 3.756 -0.178 -1.832 1.00 0.00 C ATOM 880 O ASN A 62 4.154 0.844 -1.276 1.00 0.00 O ATOM 881 CB ASN A 62 4.848 -0.087 -4.082 1.00 0.00 C ATOM 882 CG ASN A 62 5.780 -1.208 -3.630 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.934 -0.953 -3.285 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.347 -2.438 -3.604 1.00 0.00 N ATOM 0 H ASN A 62 3.126 1.840 -3.706 1.00 0.00 H new ATOM 0 HA ASN A 62 3.026 -1.118 -3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.683 -0.151 -5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.309 0.881 -3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.965 -3.190 -3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.391 -2.648 -3.890 1.00 0.00 H new ATOM 891 N ILE A 63 3.497 -1.304 -1.172 1.00 0.00 N ATOM 892 CA ILE A 63 3.678 -1.385 0.278 1.00 0.00 C ATOM 893 C ILE A 63 4.969 -2.119 0.637 1.00 0.00 C ATOM 894 O ILE A 63 5.028 -3.346 0.560 1.00 0.00 O ATOM 895 CB ILE A 63 2.494 -2.118 0.908 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.195 -1.668 0.229 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.434 -1.791 2.401 1.00 0.00 C ATOM 898 CD1 ILE A 63 -0.002 -2.018 1.117 1.00 0.00 C ATOM 0 H ILE A 63 3.165 -2.164 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 63 3.738 -0.368 0.664 1.00 0.00 H new ATOM 0 HB ILE A 63 2.616 -3.193 0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.222 -0.594 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.094 -2.154 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.591 -2.312 2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.359 -2.111 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.310 -0.716 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.923 -1.696 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.034 -3.096 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.097 -1.512 2.077 1.00 0.00 H new ATOM 910 N PRO A 64 5.995 -1.405 1.032 1.00 0.00 N ATOM 911 CA PRO A 64 7.295 -2.006 1.416 1.00 0.00 C ATOM 912 C PRO A 64 7.374 -2.333 2.907 1.00 0.00 C ATOM 913 O PRO A 64 6.428 -2.108 3.663 1.00 0.00 O ATOM 914 CB PRO A 64 8.285 -0.907 1.054 1.00 0.00 C ATOM 915 CG PRO A 64 7.546 0.374 1.281 1.00 0.00 C ATOM 916 CD PRO A 64 6.046 0.060 1.153 1.00 0.00 C ATOM 0 HA PRO A 64 7.477 -2.958 0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.179 -0.962 1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.611 -0.996 0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.772 0.779 2.267 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.846 1.126 0.551 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.490 0.408 2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.610 0.547 0.281 1.00 0.00 H new ATOM 924 N ASP A 65 8.524 -2.856 3.305 1.00 0.00 N ATOM 925 CA ASP A 65 8.778 -3.219 4.696 1.00 0.00 C ATOM 926 C ASP A 65 7.815 -4.294 5.190 1.00 0.00 C ATOM 927 O ASP A 65 7.428 -4.302 6.358 1.00 0.00 O ATOM 928 CB ASP A 65 8.664 -1.985 5.592 1.00 0.00 C ATOM 929 CG ASP A 65 9.848 -1.054 5.354 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.717 -1.419 4.578 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.869 0.009 5.951 1.00 0.00 O ATOM 0 H ASP A 65 9.306 -3.041 2.677 1.00 0.00 H new ATOM 0 HA ASP A 65 9.789 -3.622 4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.731 -1.460 5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.634 -2.287 6.639 1.00 0.00 H new ATOM 936 N LEU A 66 7.457 -5.217 4.308 1.00 0.00 N ATOM 937 CA LEU A 66 6.571 -6.312 4.685 1.00 0.00 C ATOM 938 C LEU A 66 7.405 -7.483 5.197 1.00 0.00 C ATOM 939 O LEU A 66 8.561 -7.633 4.808 1.00 0.00 O ATOM 940 CB LEU A 66 5.734 -6.766 3.486 1.00 0.00 C ATOM 941 CG LEU A 66 4.932 -5.588 2.926 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.913 -6.106 1.908 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.193 -4.877 4.062 1.00 0.00 C ATOM 0 H LEU A 66 7.763 -5.231 3.335 1.00 0.00 H new ATOM 0 HA LEU A 66 5.897 -5.965 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.385 -7.173 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.057 -7.566 3.787 1.00 0.00 H new ATOM 0 HG LEU A 66 5.613 -4.887 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.341 -5.269 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.435 -6.610 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.236 -6.808 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.624 -4.040 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.513 -5.577 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.915 -4.507 4.790 1.00 0.00 H new ATOM 955 N LEU A 67 6.828 -8.308 6.067 1.00 0.00 N ATOM 956 CA LEU A 67 7.552 -9.453 6.608 1.00 0.00 C ATOM 957 C LEU A 67 7.424 -10.657 5.675 1.00 0.00 C ATOM 958 O LEU A 67 6.339 -11.225 5.544 1.00 0.00 O ATOM 959 CB LEU A 67 6.982 -9.833 7.974 1.00 0.00 C ATOM 960 CG LEU A 67 7.502 -8.870 9.039 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.579 -8.913 10.258 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.909 -9.299 9.453 1.00 0.00 C ATOM 0 H LEU A 67 5.872 -8.207 6.409 1.00 0.00 H new ATOM 0 HA LEU A 67 8.602 -9.176 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.893 -9.803 7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.266 -10.855 8.225 1.00 0.00 H new ATOM 0 HG LEU A 67 7.527 -7.856 8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.949 -8.226 11.019 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.572 -8.619 9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.557 -9.925 10.662 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.288 -8.617 10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.877 -10.311 9.857 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.567 -9.276 8.584 1.00 0.00 H new ATOM 974 N PRO A 68 8.493 -11.069 5.039 1.00 0.00 N ATOM 975 CA PRO A 68 8.461 -12.243 4.122 1.00 0.00 C ATOM 976 C PRO A 68 7.943 -13.491 4.834 1.00 0.00 C ATOM 977 O PRO A 68 8.285 -13.742 5.989 1.00 0.00 O ATOM 978 CB PRO A 68 9.918 -12.437 3.690 1.00 0.00 C ATOM 979 CG PRO A 68 10.632 -11.167 4.023 1.00 0.00 C ATOM 980 CD PRO A 68 9.832 -10.467 5.119 1.00 0.00 C ATOM 0 HA PRO A 68 7.792 -12.078 3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.368 -13.283 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.981 -12.649 2.623 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.647 -11.375 4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.714 -10.531 3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.280 -10.625 6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.793 -9.390 4.956 1.00 0.00 H new ATOM 988 N GLY A 69 7.124 -14.273 4.139 1.00 0.00 N ATOM 989 CA GLY A 69 6.576 -15.494 4.719 1.00 0.00 C ATOM 990 C GLY A 69 5.378 -15.195 5.616 1.00 0.00 C ATOM 991 O GLY A 69 4.995 -16.017 6.449 1.00 0.00 O ATOM 0 H GLY A 69 6.827 -14.086 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.275 -16.174 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.348 -16.002 5.297 1.00 0.00 H new ATOM 995 N ARG A 70 4.789 -14.017 5.438 1.00 0.00 N ATOM 996 CA ARG A 70 3.631 -13.623 6.236 1.00 0.00 C ATOM 997 C ARG A 70 2.471 -13.242 5.328 1.00 0.00 C ATOM 998 O ARG A 70 2.677 -12.727 4.228 1.00 0.00 O ATOM 999 CB ARG A 70 3.985 -12.428 7.123 1.00 0.00 C ATOM 1000 CG ARG A 70 5.106 -12.802 8.095 1.00 0.00 C ATOM 1001 CD ARG A 70 4.588 -13.800 9.127 1.00 0.00 C ATOM 1002 NE ARG A 70 4.877 -13.315 10.471 1.00 0.00 N ATOM 1003 CZ ARG A 70 6.084 -12.868 10.794 1.00 0.00 C ATOM 1004 NH1 ARG A 70 7.040 -12.869 9.903 1.00 0.00 N ATOM 1005 NH2 ARG A 70 6.316 -12.421 11.997 1.00 0.00 N ATOM 0 H ARG A 70 5.090 -13.323 4.754 1.00 0.00 H new ATOM 0 HA ARG A 70 3.341 -14.468 6.861 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.297 -11.587 6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.105 -12.106 7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.944 -13.233 7.548 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.478 -11.908 8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.514 -13.940 9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.056 -14.772 8.973 1.00 0.00 H new ATOM 0 HE ARG A 70 4.139 -13.319 11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.858 -13.213 8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.968 -12.526 10.150 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.569 -12.415 12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.244 -12.078 12.243 1.00 0.00 H new ATOM 1019 N LYS A 71 1.249 -13.480 5.794 1.00 0.00 N ATOM 1020 CA LYS A 71 0.079 -13.134 5.009 1.00 0.00 C ATOM 1021 C LYS A 71 -0.502 -11.814 5.489 1.00 0.00 C ATOM 1022 O LYS A 71 -0.685 -11.602 6.688 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.988 -14.222 5.114 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.058 -13.962 4.054 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.198 -14.969 4.209 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.086 -14.921 2.965 1.00 0.00 C ATOM 1027 NZ LYS A 71 -4.786 -16.226 2.805 1.00 0.00 N ATOM 0 H LYS A 71 1.049 -13.905 6.699 1.00 0.00 H new ATOM 0 HA LYS A 71 0.388 -13.041 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.541 -15.205 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.433 -14.220 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.442 -12.947 4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.623 -14.042 3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.796 -15.973 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.785 -14.738 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.814 -14.114 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.483 -14.709 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.390 -16.194 1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.084 -16.986 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.373 -16.410 3.643 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.791 -10.934 4.547 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.357 -9.635 4.881 1.00 0.00 C ATOM 1043 C TYR A 72 -2.699 -9.428 4.197 1.00 0.00 C ATOM 1044 O TYR A 72 -2.932 -9.922 3.093 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.435 -8.512 4.417 1.00 0.00 C ATOM 1046 CG TYR A 72 0.834 -8.487 5.232 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.934 -9.262 4.850 1.00 0.00 C ATOM 1048 CD2 TYR A 72 0.911 -7.668 6.364 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.112 -9.219 5.605 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.089 -7.622 7.115 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.189 -8.397 6.738 1.00 0.00 C ATOM 1052 OH TYR A 72 4.349 -8.348 7.480 1.00 0.00 O ATOM 0 H TYR A 72 -0.645 -11.092 3.550 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.479 -9.613 5.964 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.193 -8.647 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.948 -7.554 4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.875 -9.892 3.975 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.060 -7.071 6.657 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.962 -9.819 5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.149 -6.987 7.987 1.00 0.00 H new ATOM 0 HH TYR A 72 4.132 -8.141 8.413 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.549 -8.643 4.835 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.841 -8.304 4.265 1.00 0.00 C ATOM 1064 C ILE A 73 -4.780 -6.853 3.830 1.00 0.00 C ATOM 1065 O ILE A 73 -4.466 -5.977 4.628 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.953 -8.512 5.290 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.993 -9.988 5.686 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.296 -8.104 4.682 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -7.013 -10.195 6.806 1.00 0.00 C ATOM 0 H ILE A 73 -3.368 -8.228 5.749 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.062 -8.948 3.414 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.762 -7.900 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.258 -10.599 4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.006 -10.313 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.088 -8.254 5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.261 -7.053 4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.497 -8.714 3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.038 -11.248 7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.729 -9.597 7.672 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.000 -9.887 6.461 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.057 -6.606 2.563 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.000 -5.254 2.033 1.00 0.00 C ATOM 1083 C VAL A 74 -6.395 -4.739 1.715 1.00 0.00 C ATOM 1084 O VAL A 74 -7.186 -5.415 1.056 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.143 -5.236 0.763 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.969 -3.794 0.288 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.767 -5.848 1.055 1.00 0.00 C ATOM 0 H VAL A 74 -5.323 -7.319 1.884 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.555 -4.605 2.787 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.638 -5.820 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.359 -3.780 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.946 -3.361 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.477 -3.211 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.162 -5.833 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.269 -5.270 1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.891 -6.877 1.391 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.683 -3.531 2.180 1.00 0.00 N ATOM 1098 CA ASN A 75 -7.980 -2.917 1.938 1.00 0.00 C ATOM 1099 C ASN A 75 -7.788 -1.465 1.520 1.00 0.00 C ATOM 1100 O ASN A 75 -7.075 -0.711 2.184 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.832 -2.985 3.206 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.651 -4.342 3.877 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.178 -5.348 3.401 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -7.927 -4.430 4.959 1.00 0.00 N ATOM 0 H ASN A 75 -6.038 -2.959 2.725 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.490 -3.456 1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.544 -2.188 3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.882 -2.828 2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.796 -5.334 5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.492 -3.595 5.351 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.413 -1.078 0.415 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.281 0.290 -0.072 1.00 0.00 C ATOM 1113 C VAL A 76 -9.585 1.056 0.099 1.00 0.00 C ATOM 1114 O VAL A 76 -10.654 0.576 -0.278 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.895 0.283 -1.551 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.417 1.677 -1.958 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.772 -0.733 -1.778 1.00 0.00 C ATOM 0 H VAL A 76 -9.008 -1.681 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.503 0.782 0.512 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.760 0.007 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.141 1.674 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.218 2.398 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.551 1.954 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.495 -0.740 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.905 -0.458 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.115 -1.726 -1.487 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.488 2.255 0.661 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.665 3.085 0.868 1.00 0.00 C ATOM 1129 C TYR A 77 -10.484 4.434 0.192 1.00 0.00 C ATOM 1130 O TYR A 77 -9.393 4.998 0.209 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.889 3.329 2.360 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.807 2.023 3.111 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -9.573 1.574 3.591 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -11.963 1.265 3.336 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -9.491 0.368 4.295 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -11.881 0.057 4.040 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.645 -0.391 4.520 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.563 -1.581 5.214 1.00 0.00 O ATOM 0 H TYR A 77 -8.612 2.671 0.979 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.521 2.562 0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.141 4.025 2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.864 3.790 2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.682 2.159 3.418 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -12.917 1.612 2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.537 0.023 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.772 -0.529 4.212 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.870 -1.510 5.904 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.559 4.972 -0.365 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.477 6.284 -0.990 1.00 0.00 C ATOM 1150 C GLN A 78 -12.023 7.306 -0.002 1.00 0.00 C ATOM 1151 O GLN A 78 -13.030 7.063 0.663 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.277 6.334 -2.295 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.732 6.697 -1.999 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.577 6.549 -3.261 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.990 6.419 -4.419 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.807 6.559 -3.189 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.479 4.533 -0.398 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.439 6.503 -1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.840 7.068 -2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.229 5.368 -2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.123 6.052 -1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.792 7.721 -1.630 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.264 6.661 -2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.368 6.466 -4.036 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.338 8.431 0.122 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.747 9.456 1.069 1.00 0.00 C ATOM 1167 C ILE A 79 -12.489 10.583 0.375 1.00 0.00 C ATOM 1168 O ILE A 79 -11.984 11.196 -0.564 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.506 9.993 1.775 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.742 8.806 2.360 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -10.917 10.951 2.895 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.446 9.278 3.007 1.00 0.00 C ATOM 0 H ILE A 79 -10.502 8.657 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.429 9.017 1.797 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.877 10.536 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.360 8.295 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.522 8.084 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.026 11.330 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.479 11.784 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.540 10.422 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.912 8.422 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.823 9.768 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.674 9.983 3.807 1.00 0.00 H new ATOM 1184 N SER A 80 -13.699 10.839 0.848 1.00 0.00 N ATOM 1185 CA SER A 80 -14.532 11.881 0.283 1.00 0.00 C ATOM 1186 C SER A 80 -14.211 13.234 0.905 1.00 0.00 C ATOM 1187 O SER A 80 -13.447 13.330 1.864 1.00 0.00 O ATOM 1188 CB SER A 80 -16.000 11.544 0.522 1.00 0.00 C ATOM 1189 OG SER A 80 -16.322 11.792 1.882 1.00 0.00 O ATOM 0 H SER A 80 -14.125 10.335 1.626 1.00 0.00 H new ATOM 0 HA SER A 80 -14.334 11.939 -0.787 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.634 12.145 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.190 10.499 0.276 1.00 0.00 H new ATOM 0 HG SER A 80 -17.296 11.810 1.989 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.808 14.276 0.344 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.598 15.632 0.829 1.00 0.00 C ATOM 1197 C GLU A 81 -15.065 15.775 2.278 1.00 0.00 C ATOM 1198 O GLU A 81 -14.605 16.661 3.000 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.371 16.610 -0.054 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.796 16.580 -1.472 1.00 0.00 C ATOM 1201 CD GLU A 81 -13.308 16.909 -1.437 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -12.918 17.715 -0.608 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -12.580 16.351 -2.240 1.00 0.00 O ATOM 0 H GLU A 81 -15.444 14.207 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.531 15.853 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.428 16.343 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.304 17.618 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -14.949 15.596 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.321 17.298 -2.102 1.00 0.00 H new ATOM 1210 N ASP A 82 -15.983 14.909 2.697 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.499 14.973 4.061 1.00 0.00 C ATOM 1212 C ASP A 82 -15.720 14.046 4.995 1.00 0.00 C ATOM 1213 O ASP A 82 -15.985 13.999 6.195 1.00 0.00 O ATOM 1214 CB ASP A 82 -17.978 14.591 4.075 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.138 13.116 3.725 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.157 12.397 3.816 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.240 12.726 3.376 1.00 0.00 O ATOM 0 H ASP A 82 -16.380 14.166 2.122 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.379 15.996 4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.404 14.788 5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.527 15.205 3.361 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.749 13.320 4.444 1.00 0.00 N ATOM 1223 CA GLY A 83 -13.933 12.417 5.253 1.00 0.00 C ATOM 1224 C GLY A 83 -14.550 11.024 5.373 1.00 0.00 C ATOM 1225 O GLY A 83 -14.148 10.239 6.234 1.00 0.00 O ATOM 0 H GLY A 83 -14.510 13.338 3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.940 12.335 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.805 12.842 6.249 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.510 10.710 4.510 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.142 9.391 4.547 1.00 0.00 C ATOM 1231 C GLU A 84 -15.320 8.379 3.752 1.00 0.00 C ATOM 1232 O GLU A 84 -14.927 8.639 2.616 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.560 9.466 3.977 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.488 10.131 4.997 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.642 9.237 6.224 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.321 8.065 6.123 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.082 9.738 7.247 1.00 0.00 O ATOM 0 H GLU A 84 -15.865 11.336 3.787 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.191 9.065 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.559 10.034 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.921 8.465 3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.084 11.100 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.463 10.316 4.547 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.069 7.219 4.356 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.297 6.172 3.692 1.00 0.00 C ATOM 1246 C GLN A 85 -15.208 5.041 3.225 1.00 0.00 C ATOM 1247 O GLN A 85 -16.143 4.652 3.923 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.247 5.604 4.652 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.199 6.669 4.957 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.169 6.125 5.941 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -11.107 4.842 6.167 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -10.391 6.889 6.511 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.386 6.982 5.296 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.805 6.614 2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.724 5.275 5.575 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.772 4.729 4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.705 6.978 4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.680 7.554 5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.440 7.892 6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.697 6.519 7.161 1.00 0.00 H new ATOM 1261 N SER A 86 -14.914 4.506 2.046 1.00 0.00 N ATOM 1262 CA SER A 86 -15.696 3.406 1.497 1.00 0.00 C ATOM 1263 C SER A 86 -14.761 2.359 0.910 1.00 0.00 C ATOM 1264 O SER A 86 -13.822 2.694 0.186 1.00 0.00 O ATOM 1265 CB SER A 86 -16.641 3.919 0.409 1.00 0.00 C ATOM 1266 OG SER A 86 -17.672 2.964 0.196 1.00 0.00 O ATOM 0 H SER A 86 -14.143 4.815 1.454 1.00 0.00 H new ATOM 0 HA SER A 86 -16.288 2.960 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.071 4.876 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.091 4.090 -0.516 1.00 0.00 H new ATOM 0 HG SER A 86 -18.281 3.290 -0.499 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.008 1.094 1.224 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.157 0.030 0.710 1.00 0.00 C ATOM 1274 C LEU A 87 -14.409 -0.176 -0.776 1.00 0.00 C ATOM 1275 O LEU A 87 -15.515 -0.514 -1.189 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.417 -1.273 1.465 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.471 -2.362 0.948 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.051 -2.086 1.447 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -13.934 -3.727 1.464 1.00 0.00 C ATOM 0 H LEU A 87 -15.775 0.784 1.820 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.117 0.321 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.266 -1.123 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.453 -1.583 1.330 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.480 -2.361 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.379 -2.861 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.719 -1.114 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.042 -2.086 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.261 -4.502 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.925 -3.726 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.945 -3.926 1.109 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.369 0.037 -1.569 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.482 -0.121 -3.009 1.00 0.00 C ATOM 1293 C ILE A 88 -12.702 -1.344 -3.475 1.00 0.00 C ATOM 1294 O ILE A 88 -12.952 -1.876 -4.556 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.952 1.134 -3.708 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.429 1.203 -3.559 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.580 2.373 -3.069 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.897 2.417 -4.323 1.00 0.00 C ATOM 0 H ILE A 88 -12.445 0.318 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.532 -0.262 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.211 1.095 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.159 1.276 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.973 0.290 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.204 3.268 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.664 2.327 -3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.320 2.408 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.813 2.467 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.155 2.325 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.343 3.326 -3.919 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.752 -1.786 -2.655 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.946 -2.949 -3.012 1.00 0.00 C ATOM 1312 C LEU A 89 -10.389 -3.644 -1.771 1.00 0.00 C ATOM 1313 O LEU A 89 -9.710 -3.027 -0.950 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.787 -2.519 -3.912 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.023 -3.758 -4.389 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.786 -4.418 -5.538 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.628 -3.353 -4.873 1.00 0.00 C ATOM 0 H LEU A 89 -11.524 -1.365 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.590 -3.652 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.165 -1.960 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.117 -1.853 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.928 -4.461 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.242 -5.300 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.777 -4.713 -5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.883 -3.712 -6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.089 -4.238 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.720 -2.647 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.081 -2.885 -4.055 1.00 0.00 H new ATOM 1329 N SER A 90 -10.668 -4.939 -1.654 1.00 0.00 N ATOM 1330 CA SER A 90 -10.176 -5.725 -0.528 1.00 0.00 C ATOM 1331 C SER A 90 -9.555 -7.021 -1.042 1.00 0.00 C ATOM 1332 O SER A 90 -10.210 -7.794 -1.742 1.00 0.00 O ATOM 1333 CB SER A 90 -11.325 -6.047 0.430 1.00 0.00 C ATOM 1334 OG SER A 90 -10.797 -6.590 1.633 1.00 0.00 O ATOM 0 H SER A 90 -11.230 -5.465 -2.323 1.00 0.00 H new ATOM 0 HA SER A 90 -9.421 -5.148 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.897 -5.145 0.645 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.011 -6.757 -0.032 1.00 0.00 H new ATOM 0 HG SER A 90 -10.239 -5.918 2.078 1.00 0.00 H new ATOM 1340 N THR A 91 -8.286 -7.253 -0.706 1.00 0.00 N ATOM 1341 CA THR A 91 -7.600 -8.457 -1.161 1.00 0.00 C ATOM 1342 C THR A 91 -6.473 -8.837 -0.209 1.00 0.00 C ATOM 1343 O THR A 91 -5.895 -7.980 0.448 1.00 0.00 O ATOM 1344 CB THR A 91 -7.019 -8.218 -2.555 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.652 -9.461 -3.134 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.787 -7.318 -2.447 1.00 0.00 C ATOM 0 H THR A 91 -7.721 -6.631 -0.128 1.00 0.00 H new ATOM 0 HA THR A 91 -8.323 -9.272 -1.189 1.00 0.00 H new ATOM 0 HB THR A 91 -7.767 -7.733 -3.183 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.281 -9.309 -4.028 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.373 -7.148 -3.441 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.071 -6.364 -2.004 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.038 -7.801 -1.819 1.00 0.00 H new ATOM 1354 N SER A 92 -6.151 -10.122 -0.160 1.00 0.00 N ATOM 1355 CA SER A 92 -5.073 -10.597 0.702 1.00 0.00 C ATOM 1356 C SER A 92 -3.972 -11.228 -0.138 1.00 0.00 C ATOM 1357 O SER A 92 -4.223 -11.738 -1.231 1.00 0.00 O ATOM 1358 CB SER A 92 -5.602 -11.628 1.699 1.00 0.00 C ATOM 1359 OG SER A 92 -6.153 -12.727 0.988 1.00 0.00 O ATOM 0 H SER A 92 -6.615 -10.851 -0.702 1.00 0.00 H new ATOM 0 HA SER A 92 -4.670 -9.745 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.797 -11.968 2.350 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.360 -11.177 2.339 1.00 0.00 H new ATOM 0 HG SER A 92 -6.492 -13.391 1.624 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.755 -11.202 0.385 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.624 -11.787 -0.321 1.00 0.00 C ATOM 1367 C GLN A 93 -0.673 -12.462 0.649 1.00 0.00 C ATOM 1368 O GLN A 93 -0.673 -12.175 1.846 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.858 -10.722 -1.101 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.700 -10.218 -2.272 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.840 -9.344 -3.181 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.438 -9.598 -3.300 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.345 -8.409 -3.804 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.526 -10.786 1.288 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.022 -12.527 -1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.603 -9.891 -0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.081 -11.136 -1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.101 -11.061 -2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.552 -9.648 -1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.341 -8.213 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.767 -7.831 -4.414 1.00 0.00 H new ATOM 1382 N THR A 94 0.147 -13.349 0.111 1.00 0.00 N ATOM 1383 CA THR A 94 1.121 -14.058 0.917 1.00 0.00 C ATOM 1384 C THR A 94 2.521 -13.720 0.416 1.00 0.00 C ATOM 1385 O THR A 94 2.872 -14.028 -0.722 1.00 0.00 O ATOM 1386 CB THR A 94 0.872 -15.564 0.805 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.479 -15.784 0.426 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.143 -16.255 2.146 1.00 0.00 C ATOM 0 H THR A 94 0.156 -13.594 -0.879 1.00 0.00 H new ATOM 0 HA THR A 94 1.030 -13.760 1.962 1.00 0.00 H new ATOM 0 HB THR A 94 1.545 -15.980 0.055 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.645 -16.747 0.351 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.961 -17.325 2.047 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.180 -16.089 2.438 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.481 -15.843 2.908 1.00 0.00 H new ATOM 1396 N THR A 95 3.310 -13.071 1.262 1.00 0.00 N ATOM 1397 CA THR A 95 4.662 -12.684 0.876 1.00 0.00 C ATOM 1398 C THR A 95 5.526 -13.917 0.633 1.00 0.00 C ATOM 1399 O THR A 95 6.062 -14.439 1.597 1.00 0.00 O ATOM 1400 CB THR A 95 5.294 -11.821 1.971 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.365 -12.569 3.178 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.444 -10.568 2.191 1.00 0.00 C ATOM 1403 OXT THR A 95 5.641 -14.320 -0.512 1.00 0.00 O ATOM 0 H THR A 95 3.042 -12.804 2.209 1.00 0.00 H new ATOM 0 HA THR A 95 4.603 -12.109 -0.048 1.00 0.00 H new ATOM 0 HB THR A 95 6.298 -11.525 1.668 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.322 -13.526 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.895 -9.955 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.392 -9.996 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.438 -10.859 2.495 1.00 0.00 H new TER 1411 THR A 95