USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 671 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 54 GLN : amide:sc= 0.884 K(o=2.2,f=-3.2) USER MOD Set 1.2: A 59 TYR OH : rot 19:sc= 1.27 USER MOD Set 2.1: A 7 GLN : amide:sc= 0.503 K(o=0.96,f=-6.4) USER MOD Set 2.2: A 37 ASN : amide:sc= 1.37 K(o=0.96,f=-6) USER MOD Set 2.3: A 40 GLN : amide:sc= -0.911! C(o=0.96!,f=-6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.132) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.42 K(o=0.42,f=-9.3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 72:sc= 1.28 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 141:sc= -2.24! (180deg=-5.05!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -179:sc=-0.00141 (180deg=-0.00352) USER MOD Single : A 71 GLN : amide:sc= -2.2! C(o=-2.2!,f=-7.3!) USER MOD Single : A 73 THR OG1 : rot 29:sc= -1.68 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0774 X(o=-0.077,f=-0.28) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -4:sc= 0.325 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.505 20.968 -0.978 1.00 0.00 N ATOM 2 CA MET A 1 -21.700 20.412 -0.299 1.00 0.00 C ATOM 3 C MET A 1 -21.572 18.937 0.147 1.00 0.00 C ATOM 4 O MET A 1 -20.962 18.117 -0.539 1.00 0.00 O ATOM 5 CB MET A 1 -22.935 20.557 -1.197 1.00 0.00 C ATOM 6 CG MET A 1 -23.371 22.016 -1.356 1.00 0.00 C ATOM 7 SD MET A 1 -24.850 22.201 -2.415 1.00 0.00 S ATOM 8 CE MET A 1 -25.072 23.964 -2.322 1.00 0.00 C ATOM 0 H1 MET A 1 -20.600 22.001 -1.057 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.654 20.740 -0.425 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.422 20.554 -1.928 1.00 0.00 H new ATOM 0 HA MET A 1 -21.801 20.998 0.614 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.719 20.136 -2.179 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.757 19.978 -0.776 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.579 22.438 -0.373 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.550 22.592 -1.783 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.939 24.253 -2.916 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.230 24.257 -1.284 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.184 24.463 -2.709 1.00 0.00 H new ATOM 20 N GLY A 2 -22.156 18.651 1.319 1.00 0.00 N ATOM 21 CA GLY A 2 -22.172 17.293 1.901 1.00 0.00 C ATOM 22 C GLY A 2 -22.468 17.328 3.404 1.00 0.00 C ATOM 23 O GLY A 2 -23.059 18.281 3.912 1.00 0.00 O ATOM 0 H GLY A 2 -22.630 19.349 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.925 16.688 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.209 16.812 1.730 1.00 0.00 H new ATOM 27 N VAL A 3 -21.941 16.315 4.088 1.00 0.00 N ATOM 28 CA VAL A 3 -22.084 16.122 5.547 1.00 0.00 C ATOM 29 C VAL A 3 -20.934 15.238 6.068 1.00 0.00 C ATOM 30 O VAL A 3 -20.429 14.375 5.353 1.00 0.00 O ATOM 31 CB VAL A 3 -23.495 15.575 5.872 1.00 0.00 C ATOM 32 CG1 VAL A 3 -23.749 14.147 5.372 1.00 0.00 C ATOM 33 CG2 VAL A 3 -23.841 15.720 7.358 1.00 0.00 C ATOM 0 H VAL A 3 -21.388 15.583 3.642 1.00 0.00 H new ATOM 0 HA VAL A 3 -22.002 17.074 6.071 1.00 0.00 H new ATOM 0 HB VAL A 3 -24.177 16.208 5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -24.760 13.842 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -23.637 14.116 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -23.031 13.468 5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -24.840 15.323 7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -23.117 15.167 7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -23.813 16.773 7.637 1.00 0.00 H new ATOM 43 N THR A 4 -20.563 15.477 7.323 1.00 0.00 N ATOM 44 CA THR A 4 -19.445 14.795 8.019 1.00 0.00 C ATOM 45 C THR A 4 -19.479 13.253 8.068 1.00 0.00 C ATOM 46 O THR A 4 -18.434 12.615 7.954 1.00 0.00 O ATOM 47 CB THR A 4 -19.244 15.386 9.435 1.00 0.00 C ATOM 48 OG1 THR A 4 -18.187 14.708 10.119 1.00 0.00 O ATOM 49 CG2 THR A 4 -20.512 15.385 10.302 1.00 0.00 C ATOM 0 H THR A 4 -21.035 16.165 7.910 1.00 0.00 H new ATOM 0 HA THR A 4 -18.585 15.005 7.383 1.00 0.00 H new ATOM 0 HB THR A 4 -18.980 16.432 9.279 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.073 15.096 11.012 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.286 15.815 11.278 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.286 15.978 9.815 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.865 14.362 10.430 1.00 0.00 H new ATOM 57 N GLU A 5 -20.664 12.668 8.238 1.00 0.00 N ATOM 58 CA GLU A 5 -20.785 11.232 8.573 1.00 0.00 C ATOM 59 C GLU A 5 -21.795 10.428 7.732 1.00 0.00 C ATOM 60 O GLU A 5 -21.401 9.535 6.979 1.00 0.00 O ATOM 61 CB GLU A 5 -21.027 11.080 10.085 1.00 0.00 C ATOM 62 CG GLU A 5 -19.820 11.471 10.950 1.00 0.00 C ATOM 63 CD GLU A 5 -18.675 10.460 10.867 1.00 0.00 C ATOM 64 OE1 GLU A 5 -18.778 9.437 11.584 1.00 0.00 O ATOM 65 OE2 GLU A 5 -17.767 10.683 10.037 1.00 0.00 O ATOM 0 H GLU A 5 -21.556 13.156 8.152 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.833 10.776 8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.881 11.695 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.294 10.045 10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.457 12.450 10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.139 11.566 11.988 1.00 0.00 H new ATOM 72 N ALA A 6 -23.086 10.656 7.986 1.00 0.00 N ATOM 73 CA ALA A 6 -24.211 10.001 7.283 1.00 0.00 C ATOM 74 C ALA A 6 -24.047 9.944 5.755 1.00 0.00 C ATOM 75 O ALA A 6 -23.870 10.959 5.084 1.00 0.00 O ATOM 76 CB ALA A 6 -25.514 10.715 7.654 1.00 0.00 C ATOM 0 H ALA A 6 -23.394 11.315 8.701 1.00 0.00 H new ATOM 0 HA ALA A 6 -24.230 8.962 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -26.349 10.239 7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -25.668 10.654 8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -25.453 11.761 7.355 1.00 0.00 H new ATOM 82 N GLN A 7 -24.019 8.708 5.264 1.00 0.00 N ATOM 83 CA GLN A 7 -23.775 8.411 3.839 1.00 0.00 C ATOM 84 C GLN A 7 -24.917 7.595 3.195 1.00 0.00 C ATOM 85 O GLN A 7 -25.705 8.150 2.436 1.00 0.00 O ATOM 86 CB GLN A 7 -22.385 7.762 3.704 1.00 0.00 C ATOM 87 CG GLN A 7 -21.862 7.679 2.263 1.00 0.00 C ATOM 88 CD GLN A 7 -21.477 9.046 1.684 1.00 0.00 C ATOM 89 OE1 GLN A 7 -20.779 9.857 2.278 1.00 0.00 O ATOM 90 NE2 GLN A 7 -21.894 9.291 0.461 1.00 0.00 N ATOM 0 H GLN A 7 -24.164 7.877 5.837 1.00 0.00 H new ATOM 0 HA GLN A 7 -23.772 9.339 3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -21.673 8.329 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -22.425 6.756 4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -20.993 7.021 2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -22.625 7.225 1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -22.475 8.609 -0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -21.636 10.163 -0.001 1.00 0.00 H new ATOM 99 N TYR A 8 -24.929 6.278 3.418 1.00 0.00 N ATOM 100 CA TYR A 8 -25.968 5.371 2.872 1.00 0.00 C ATOM 101 C TYR A 8 -26.509 4.349 3.892 1.00 0.00 C ATOM 102 O TYR A 8 -27.671 4.410 4.274 1.00 0.00 O ATOM 103 CB TYR A 8 -25.450 4.676 1.602 1.00 0.00 C ATOM 104 CG TYR A 8 -26.566 3.941 0.850 1.00 0.00 C ATOM 105 CD1 TYR A 8 -27.316 4.621 -0.103 1.00 0.00 C ATOM 106 CD2 TYR A 8 -26.866 2.616 1.146 1.00 0.00 C ATOM 107 CE1 TYR A 8 -28.357 3.978 -0.759 1.00 0.00 C ATOM 108 CE2 TYR A 8 -27.912 1.973 0.496 1.00 0.00 C ATOM 109 CZ TYR A 8 -28.653 2.654 -0.461 1.00 0.00 C ATOM 110 OH TYR A 8 -29.623 2.011 -1.159 1.00 0.00 O ATOM 0 H TYR A 8 -24.224 5.801 3.980 1.00 0.00 H new ATOM 0 HA TYR A 8 -26.823 5.998 2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -24.997 5.417 0.943 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.667 3.967 1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -27.088 5.651 -0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -26.284 2.085 1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -28.937 4.507 -1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -28.148 0.946 0.734 1.00 0.00 H new ATOM 0 HH TYR A 8 -29.708 1.092 -0.830 1.00 0.00 H new ATOM 120 N VAL A 9 -25.617 3.458 4.340 1.00 0.00 N ATOM 121 CA VAL A 9 -25.872 2.342 5.287 1.00 0.00 C ATOM 122 C VAL A 9 -26.688 1.198 4.643 1.00 0.00 C ATOM 123 O VAL A 9 -27.872 1.337 4.352 1.00 0.00 O ATOM 124 CB VAL A 9 -26.520 2.796 6.622 1.00 0.00 C ATOM 125 CG1 VAL A 9 -26.601 1.653 7.641 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.785 3.971 7.277 1.00 0.00 C ATOM 0 H VAL A 9 -24.642 3.489 4.042 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.884 1.954 5.534 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.524 3.119 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -27.061 2.017 8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.202 0.842 7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -25.597 1.287 7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -26.287 4.241 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.756 3.683 7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -25.789 4.826 6.600 1.00 0.00 H new ATOM 136 N ALA A 10 -25.953 0.168 4.224 1.00 0.00 N ATOM 137 CA ALA A 10 -26.508 -1.141 3.818 1.00 0.00 C ATOM 138 C ALA A 10 -25.557 -2.286 4.242 1.00 0.00 C ATOM 139 O ALA A 10 -24.627 -2.619 3.499 1.00 0.00 O ATOM 140 CB ALA A 10 -26.772 -1.157 2.305 1.00 0.00 C ATOM 0 H ALA A 10 -24.936 0.212 4.153 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.460 -1.298 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.181 -2.126 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.485 -0.373 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.838 -0.984 1.771 1.00 0.00 H new ATOM 146 N PRO A 11 -25.639 -2.738 5.505 1.00 0.00 N ATOM 147 CA PRO A 11 -24.761 -3.800 6.036 1.00 0.00 C ATOM 148 C PRO A 11 -25.068 -5.177 5.434 1.00 0.00 C ATOM 149 O PRO A 11 -26.171 -5.426 4.955 1.00 0.00 O ATOM 150 CB PRO A 11 -24.971 -3.761 7.550 1.00 0.00 C ATOM 151 CG PRO A 11 -26.408 -3.263 7.697 1.00 0.00 C ATOM 152 CD PRO A 11 -26.563 -2.258 6.553 1.00 0.00 C ATOM 0 HA PRO A 11 -23.718 -3.629 5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.839 -4.745 7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.262 -3.091 8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -27.125 -4.079 7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.572 -2.794 8.667 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.590 -2.226 6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.307 -1.249 6.875 1.00 0.00 H new ATOM 160 N THR A 12 -24.009 -5.970 5.306 1.00 0.00 N ATOM 161 CA THR A 12 -24.115 -7.353 4.786 1.00 0.00 C ATOM 162 C THR A 12 -23.835 -8.384 5.897 1.00 0.00 C ATOM 163 O THR A 12 -24.758 -8.854 6.555 1.00 0.00 O ATOM 164 CB THR A 12 -23.178 -7.591 3.587 1.00 0.00 C ATOM 165 OG1 THR A 12 -22.964 -6.382 2.851 1.00 0.00 O ATOM 166 CG2 THR A 12 -23.747 -8.670 2.661 1.00 0.00 C ATOM 0 H THR A 12 -23.060 -5.689 5.553 1.00 0.00 H new ATOM 0 HA THR A 12 -25.139 -7.484 4.437 1.00 0.00 H new ATOM 0 HB THR A 12 -22.220 -7.931 3.980 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.365 -6.560 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.070 -8.822 1.821 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.856 -9.603 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.721 -8.353 2.289 1.00 0.00 H new ATOM 174 N ASN A 13 -22.554 -8.657 6.150 1.00 0.00 N ATOM 175 CA ASN A 13 -22.109 -9.662 7.138 1.00 0.00 C ATOM 176 C ASN A 13 -21.491 -9.003 8.388 1.00 0.00 C ATOM 177 O ASN A 13 -21.370 -7.778 8.458 1.00 0.00 O ATOM 178 CB ASN A 13 -21.117 -10.615 6.445 1.00 0.00 C ATOM 179 CG ASN A 13 -19.762 -9.999 6.061 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.537 -8.796 6.098 1.00 0.00 O ATOM 181 ND2 ASN A 13 -18.789 -10.843 5.811 1.00 0.00 N ATOM 0 H ASN A 13 -21.784 -8.187 5.675 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.970 -10.228 7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.936 -11.464 7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.587 -11.006 5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.843 -10.497 5.647 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.978 -11.845 5.781 1.00 0.00 H new ATOM 188 N ALA A 14 -21.012 -9.842 9.309 1.00 0.00 N ATOM 189 CA ALA A 14 -20.293 -9.408 10.527 1.00 0.00 C ATOM 190 C ALA A 14 -19.155 -8.409 10.245 1.00 0.00 C ATOM 191 O ALA A 14 -19.214 -7.291 10.747 1.00 0.00 O ATOM 192 CB ALA A 14 -19.750 -10.632 11.270 1.00 0.00 C ATOM 0 H ALA A 14 -21.109 -10.855 9.237 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.016 -8.879 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.221 -10.308 12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.577 -11.283 11.552 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.064 -11.177 10.621 1.00 0.00 H new ATOM 198 N VAL A 15 -18.340 -8.712 9.231 1.00 0.00 N ATOM 199 CA VAL A 15 -17.236 -7.849 8.747 1.00 0.00 C ATOM 200 C VAL A 15 -17.769 -6.443 8.392 1.00 0.00 C ATOM 201 O VAL A 15 -17.496 -5.484 9.109 1.00 0.00 O ATOM 202 CB VAL A 15 -16.524 -8.534 7.558 1.00 0.00 C ATOM 203 CG1 VAL A 15 -15.433 -7.663 6.927 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.884 -9.857 7.991 1.00 0.00 C ATOM 0 H VAL A 15 -18.424 -9.582 8.705 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.497 -7.714 9.537 1.00 0.00 H new ATOM 0 HB VAL A 15 -17.302 -8.706 6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.972 -8.201 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.875 -6.737 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.675 -7.430 7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.390 -10.319 7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.151 -9.667 8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.655 -10.527 8.370 1.00 0.00 H new ATOM 214 N GLU A 16 -18.705 -6.418 7.443 1.00 0.00 N ATOM 215 CA GLU A 16 -19.425 -5.208 6.995 1.00 0.00 C ATOM 216 C GLU A 16 -19.998 -4.372 8.154 1.00 0.00 C ATOM 217 O GLU A 16 -19.509 -3.275 8.416 1.00 0.00 O ATOM 218 CB GLU A 16 -20.548 -5.639 6.045 1.00 0.00 C ATOM 219 CG GLU A 16 -20.082 -5.772 4.592 1.00 0.00 C ATOM 220 CD GLU A 16 -20.208 -4.453 3.821 1.00 0.00 C ATOM 221 OE1 GLU A 16 -21.213 -3.741 4.058 1.00 0.00 O ATOM 222 OE2 GLU A 16 -19.280 -4.162 3.045 1.00 0.00 O ATOM 0 H GLU A 16 -18.997 -7.259 6.945 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.708 -4.561 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.954 -6.594 6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.359 -4.912 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.044 -6.104 4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.671 -6.541 4.092 1.00 0.00 H new ATOM 229 N SER A 17 -20.869 -5.004 8.940 1.00 0.00 N ATOM 230 CA SER A 17 -21.604 -4.359 10.049 1.00 0.00 C ATOM 231 C SER A 17 -20.687 -3.877 11.186 1.00 0.00 C ATOM 232 O SER A 17 -20.551 -2.673 11.400 1.00 0.00 O ATOM 233 CB SER A 17 -22.676 -5.316 10.585 1.00 0.00 C ATOM 234 OG SER A 17 -23.472 -4.655 11.571 1.00 0.00 O ATOM 0 H SER A 17 -21.093 -5.993 8.830 1.00 0.00 H new ATOM 0 HA SER A 17 -22.076 -3.464 9.643 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.308 -5.662 9.767 1.00 0.00 H new ATOM 0 HB3 SER A 17 -22.204 -6.198 11.018 1.00 0.00 H new ATOM 0 HG SER A 17 -24.155 -5.272 11.907 1.00 0.00 H new ATOM 240 N LYS A 18 -19.902 -4.799 11.743 1.00 0.00 N ATOM 241 CA LYS A 18 -19.027 -4.528 12.899 1.00 0.00 C ATOM 242 C LYS A 18 -17.877 -3.562 12.569 1.00 0.00 C ATOM 243 O LYS A 18 -17.681 -2.601 13.310 1.00 0.00 O ATOM 244 CB LYS A 18 -18.550 -5.858 13.494 1.00 0.00 C ATOM 245 CG LYS A 18 -17.833 -5.695 14.840 1.00 0.00 C ATOM 246 CD LYS A 18 -17.860 -6.974 15.687 1.00 0.00 C ATOM 247 CE LYS A 18 -17.105 -8.158 15.074 1.00 0.00 C ATOM 248 NZ LYS A 18 -17.234 -9.342 15.935 1.00 0.00 N ATOM 0 H LYS A 18 -19.850 -5.761 11.409 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.606 -4.002 13.658 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -19.407 -6.519 13.624 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.877 -6.344 12.788 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.798 -5.404 14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.300 -4.884 15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.434 -6.755 16.666 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.898 -7.266 15.849 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.500 -8.376 14.082 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.053 -7.903 14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.718 -10.139 15.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.837 -9.134 16.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.239 -9.593 16.032 1.00 0.00 H new ATOM 262 N LEU A 19 -17.254 -3.706 11.397 1.00 0.00 N ATOM 263 CA LEU A 19 -16.258 -2.714 10.942 1.00 0.00 C ATOM 264 C LEU A 19 -16.869 -1.330 10.681 1.00 0.00 C ATOM 265 O LEU A 19 -16.335 -0.354 11.195 1.00 0.00 O ATOM 266 CB LEU A 19 -15.425 -3.178 9.741 1.00 0.00 C ATOM 267 CG LEU A 19 -14.401 -4.272 10.076 1.00 0.00 C ATOM 268 CD1 LEU A 19 -13.720 -4.743 8.791 1.00 0.00 C ATOM 269 CD2 LEU A 19 -13.328 -3.767 11.046 1.00 0.00 C ATOM 0 H LEU A 19 -17.412 -4.481 10.752 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.570 -2.620 11.782 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -16.097 -3.549 8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.900 -2.319 9.323 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.937 -5.093 10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.993 -5.520 9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.469 -5.144 8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.212 -3.902 8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.622 -4.570 11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.798 -2.927 10.597 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.800 -3.444 11.974 1.00 0.00 H new ATOM 281 N ALA A 20 -18.062 -1.270 10.079 1.00 0.00 N ATOM 282 CA ALA A 20 -18.820 -0.005 9.933 1.00 0.00 C ATOM 283 C ALA A 20 -19.167 0.647 11.286 1.00 0.00 C ATOM 284 O ALA A 20 -19.069 1.866 11.428 1.00 0.00 O ATOM 285 CB ALA A 20 -20.098 -0.227 9.121 1.00 0.00 C ATOM 0 H ALA A 20 -18.532 -2.083 9.681 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.164 0.683 9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.638 0.715 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.839 -0.597 8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.729 -0.957 9.628 1.00 0.00 H new ATOM 291 N GLU A 21 -19.515 -0.186 12.268 1.00 0.00 N ATOM 292 CA GLU A 21 -19.686 0.209 13.682 1.00 0.00 C ATOM 293 C GLU A 21 -18.392 0.829 14.248 1.00 0.00 C ATOM 294 O GLU A 21 -18.397 1.993 14.649 1.00 0.00 O ATOM 295 CB GLU A 21 -20.127 -1.023 14.483 1.00 0.00 C ATOM 296 CG GLU A 21 -20.418 -0.734 15.958 1.00 0.00 C ATOM 297 CD GLU A 21 -20.631 -2.039 16.729 1.00 0.00 C ATOM 298 OE1 GLU A 21 -19.613 -2.585 17.207 1.00 0.00 O ATOM 299 OE2 GLU A 21 -21.803 -2.465 16.820 1.00 0.00 O ATOM 0 H GLU A 21 -19.692 -1.178 12.107 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.454 0.978 13.760 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -21.021 -1.443 14.022 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.349 -1.783 14.419 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.589 -0.177 16.396 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.305 -0.106 16.043 1.00 0.00 H new ATOM 306 N ILE A 22 -17.282 0.103 14.107 1.00 0.00 N ATOM 307 CA ILE A 22 -15.929 0.562 14.496 1.00 0.00 C ATOM 308 C ILE A 22 -15.593 1.904 13.815 1.00 0.00 C ATOM 309 O ILE A 22 -15.400 2.895 14.516 1.00 0.00 O ATOM 310 CB ILE A 22 -14.903 -0.561 14.220 1.00 0.00 C ATOM 311 CG1 ILE A 22 -15.198 -1.755 15.145 1.00 0.00 C ATOM 312 CG2 ILE A 22 -13.449 -0.090 14.404 1.00 0.00 C ATOM 313 CD1 ILE A 22 -14.585 -3.083 14.684 1.00 0.00 C ATOM 0 H ILE A 22 -17.288 -0.838 13.713 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.890 0.763 15.567 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.006 -0.859 13.177 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.827 -1.525 16.144 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.278 -1.877 15.227 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.770 -0.917 14.198 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.242 0.729 13.716 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.304 0.252 15.429 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -14.843 -3.869 15.394 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.975 -3.341 13.699 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.501 -2.984 14.631 1.00 0.00 H new ATOM 325 N TRP A 23 -15.773 1.964 12.496 1.00 0.00 N ATOM 326 CA TRP A 23 -15.601 3.189 11.686 1.00 0.00 C ATOM 327 C TRP A 23 -16.412 4.372 12.237 1.00 0.00 C ATOM 328 O TRP A 23 -15.825 5.272 12.829 1.00 0.00 O ATOM 329 CB TRP A 23 -15.968 2.934 10.216 1.00 0.00 C ATOM 330 CG TRP A 23 -15.012 1.994 9.473 1.00 0.00 C ATOM 331 CD1 TRP A 23 -15.371 0.932 8.757 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.623 2.048 9.455 1.00 0.00 C ATOM 333 NE1 TRP A 23 -14.285 0.293 8.321 1.00 0.00 N ATOM 334 CE2 TRP A 23 -13.202 0.950 8.720 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.711 3.017 9.850 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.858 0.813 8.385 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -11.375 2.897 9.489 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.952 1.796 8.754 1.00 0.00 C ATOM 0 H TRP A 23 -16.048 1.153 11.942 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.546 3.457 11.746 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.974 2.516 10.174 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.998 3.889 9.692 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.389 0.632 8.559 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -14.286 -0.564 7.769 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -13.039 3.862 10.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.522 -0.056 7.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.666 3.658 9.779 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.914 1.706 8.469 1.00 0.00 H new ATOM 349 N GLU A 24 -17.734 4.214 12.303 1.00 0.00 N ATOM 350 CA GLU A 24 -18.657 5.282 12.752 1.00 0.00 C ATOM 351 C GLU A 24 -18.436 5.802 14.184 1.00 0.00 C ATOM 352 O GLU A 24 -18.803 6.938 14.486 1.00 0.00 O ATOM 353 CB GLU A 24 -20.114 4.865 12.513 1.00 0.00 C ATOM 354 CG GLU A 24 -20.693 3.760 13.404 1.00 0.00 C ATOM 355 CD GLU A 24 -21.988 3.153 12.846 1.00 0.00 C ATOM 356 OE1 GLU A 24 -22.706 3.873 12.106 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.233 1.973 13.157 1.00 0.00 O ATOM 0 H GLU A 24 -18.205 3.346 12.049 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.416 6.145 12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.739 5.750 12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.205 4.542 11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.951 2.971 13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.888 4.166 14.397 1.00 0.00 H new ATOM 364 N ARG A 25 -17.966 4.904 15.050 1.00 0.00 N ATOM 365 CA ARG A 25 -17.560 5.200 16.436 1.00 0.00 C ATOM 366 C ARG A 25 -16.181 5.890 16.496 1.00 0.00 C ATOM 367 O ARG A 25 -16.105 7.082 16.789 1.00 0.00 O ATOM 368 CB ARG A 25 -17.633 3.877 17.214 1.00 0.00 C ATOM 369 CG ARG A 25 -17.451 3.991 18.731 1.00 0.00 C ATOM 370 CD ARG A 25 -15.995 3.765 19.152 1.00 0.00 C ATOM 371 NE ARG A 25 -15.867 3.752 20.622 1.00 0.00 N ATOM 372 CZ ARG A 25 -16.261 2.790 21.465 1.00 0.00 C ATOM 373 NH1 ARG A 25 -16.769 1.635 21.053 1.00 0.00 N ATOM 374 NH2 ARG A 25 -16.086 2.951 22.768 1.00 0.00 N ATOM 0 H ARG A 25 -17.852 3.920 14.806 1.00 0.00 H new ATOM 0 HA ARG A 25 -18.231 5.923 16.900 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -18.599 3.412 17.016 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.869 3.204 16.824 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -17.775 4.978 19.062 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -18.090 3.262 19.229 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -15.637 2.820 18.744 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.366 4.551 18.735 1.00 0.00 H new ATOM 0 HE ARG A 25 -15.428 4.570 21.044 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -16.873 1.451 20.055 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -17.055 0.932 21.734 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.653 3.804 23.123 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -16.384 2.222 23.416 1.00 0.00 H new ATOM 388 N VAL A 26 -15.145 5.204 16.018 1.00 0.00 N ATOM 389 CA VAL A 26 -13.736 5.663 16.086 1.00 0.00 C ATOM 390 C VAL A 26 -13.494 6.965 15.287 1.00 0.00 C ATOM 391 O VAL A 26 -12.836 7.874 15.788 1.00 0.00 O ATOM 392 CB VAL A 26 -12.780 4.519 15.672 1.00 0.00 C ATOM 393 CG1 VAL A 26 -11.301 4.921 15.725 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.945 3.297 16.584 1.00 0.00 C ATOM 0 H VAL A 26 -15.250 4.297 15.563 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.517 5.921 17.122 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.054 4.284 14.643 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.683 4.075 15.423 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.127 5.757 15.048 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.040 5.217 16.741 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.260 2.511 16.267 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.723 3.579 17.613 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.970 2.932 16.521 1.00 0.00 H new ATOM 404 N LEU A 27 -14.124 7.077 14.117 1.00 0.00 N ATOM 405 CA LEU A 27 -14.028 8.258 13.231 1.00 0.00 C ATOM 406 C LEU A 27 -14.561 9.566 13.848 1.00 0.00 C ATOM 407 O LEU A 27 -14.043 10.639 13.542 1.00 0.00 O ATOM 408 CB LEU A 27 -14.728 7.942 11.900 1.00 0.00 C ATOM 409 CG LEU A 27 -14.558 8.984 10.788 1.00 0.00 C ATOM 410 CD1 LEU A 27 -13.093 9.150 10.382 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.383 8.559 9.573 1.00 0.00 C ATOM 0 H LEU A 27 -14.727 6.343 13.744 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.967 8.448 13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.355 6.985 11.534 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.793 7.816 12.093 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.906 9.945 11.167 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.017 9.897 9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.511 9.474 11.245 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.706 8.198 10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.267 9.296 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.037 7.587 9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.434 8.490 9.853 1.00 0.00 H new ATOM 423 N GLY A 28 -15.588 9.435 14.698 1.00 0.00 N ATOM 424 CA GLY A 28 -16.203 10.583 15.401 1.00 0.00 C ATOM 425 C GLY A 28 -17.654 10.319 15.821 1.00 0.00 C ATOM 426 O GLY A 28 -18.552 11.068 15.441 1.00 0.00 O ATOM 0 H GLY A 28 -16.019 8.538 14.921 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.612 10.820 16.285 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.172 11.459 14.753 1.00 0.00 H new ATOM 430 N VAL A 29 -17.825 9.242 16.589 1.00 0.00 N ATOM 431 CA VAL A 29 -19.086 8.654 17.101 1.00 0.00 C ATOM 432 C VAL A 29 -20.400 9.375 16.722 1.00 0.00 C ATOM 433 O VAL A 29 -21.032 10.075 17.510 1.00 0.00 O ATOM 434 CB VAL A 29 -18.905 8.320 18.600 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.716 9.547 19.504 1.00 0.00 C ATOM 436 CG2 VAL A 29 -19.997 7.378 19.118 1.00 0.00 C ATOM 0 H VAL A 29 -17.018 8.703 16.903 1.00 0.00 H new ATOM 0 HA VAL A 29 -19.255 7.725 16.557 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.958 7.784 18.657 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.596 9.222 20.538 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.828 10.096 19.191 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.589 10.195 19.426 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.828 7.172 20.175 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -20.973 7.847 18.991 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.968 6.444 18.557 1.00 0.00 H new ATOM 446 N SER A 30 -20.765 9.164 15.459 1.00 0.00 N ATOM 447 CA SER A 30 -21.959 9.791 14.847 1.00 0.00 C ATOM 448 C SER A 30 -22.778 8.859 13.946 1.00 0.00 C ATOM 449 O SER A 30 -24.002 8.823 14.053 1.00 0.00 O ATOM 450 CB SER A 30 -21.605 11.039 14.027 1.00 0.00 C ATOM 451 OG SER A 30 -20.986 12.057 14.814 1.00 0.00 O ATOM 0 H SER A 30 -20.249 8.556 14.823 1.00 0.00 H new ATOM 0 HA SER A 30 -22.571 10.056 15.709 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.936 10.757 13.214 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.511 11.438 13.571 1.00 0.00 H new ATOM 0 HG SER A 30 -20.073 11.784 15.042 1.00 0.00 H new ATOM 457 N GLY A 31 -22.087 8.146 13.040 1.00 0.00 N ATOM 458 CA GLY A 31 -22.755 7.224 12.099 1.00 0.00 C ATOM 459 C GLY A 31 -22.426 7.511 10.629 1.00 0.00 C ATOM 460 O GLY A 31 -22.839 8.524 10.071 1.00 0.00 O ATOM 0 H GLY A 31 -21.073 8.188 12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.464 6.201 12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.834 7.289 12.242 1.00 0.00 H new ATOM 464 N ILE A 32 -21.699 6.573 10.031 1.00 0.00 N ATOM 465 CA ILE A 32 -21.324 6.616 8.599 1.00 0.00 C ATOM 466 C ILE A 32 -22.086 5.562 7.784 1.00 0.00 C ATOM 467 O ILE A 32 -22.734 4.671 8.331 1.00 0.00 O ATOM 468 CB ILE A 32 -19.803 6.493 8.341 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.075 5.351 9.067 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.099 7.827 8.583 1.00 0.00 C ATOM 471 CD1 ILE A 32 -19.304 3.957 8.474 1.00 0.00 C ATOM 0 H ILE A 32 -21.345 5.750 10.519 1.00 0.00 H new ATOM 0 HA ILE A 32 -21.616 7.611 8.262 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.739 6.217 7.289 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.005 5.561 9.061 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.393 5.343 10.110 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.031 7.714 8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.508 8.581 7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.255 8.138 9.616 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -18.750 3.219 9.054 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.367 3.719 8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.958 3.940 7.440 1.00 0.00 H new ATOM 483 N GLY A 33 -21.892 5.635 6.464 1.00 0.00 N ATOM 484 CA GLY A 33 -22.436 4.629 5.531 1.00 0.00 C ATOM 485 C GLY A 33 -21.359 3.612 5.137 1.00 0.00 C ATOM 486 O GLY A 33 -20.169 3.909 5.160 1.00 0.00 O ATOM 0 H GLY A 33 -21.362 6.380 6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.277 4.113 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.819 5.124 4.638 1.00 0.00 H new ATOM 490 N ILE A 34 -21.821 2.414 4.792 1.00 0.00 N ATOM 491 CA ILE A 34 -21.004 1.324 4.202 1.00 0.00 C ATOM 492 C ILE A 34 -19.985 1.810 3.144 1.00 0.00 C ATOM 493 O ILE A 34 -18.807 1.476 3.216 1.00 0.00 O ATOM 494 CB ILE A 34 -21.989 0.258 3.667 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.818 -0.361 4.807 1.00 0.00 C ATOM 496 CG2 ILE A 34 -21.382 -0.806 2.738 1.00 0.00 C ATOM 497 CD1 ILE A 34 -22.070 -1.075 5.941 1.00 0.00 C ATOM 0 H ILE A 34 -22.800 2.153 4.913 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.363 0.888 4.969 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.661 0.810 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.418 0.433 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.512 -1.075 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.160 -1.501 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.952 -0.321 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.602 -1.351 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.788 -1.457 6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.493 -1.904 5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.397 -0.372 6.432 1.00 0.00 H new ATOM 509 N LEU A 35 -20.466 2.639 2.218 1.00 0.00 N ATOM 510 CA LEU A 35 -19.644 3.324 1.196 1.00 0.00 C ATOM 511 C LEU A 35 -18.562 4.278 1.736 1.00 0.00 C ATOM 512 O LEU A 35 -17.567 4.528 1.060 1.00 0.00 O ATOM 513 CB LEU A 35 -20.538 4.095 0.208 1.00 0.00 C ATOM 514 CG LEU A 35 -21.333 3.268 -0.822 1.00 0.00 C ATOM 515 CD1 LEU A 35 -20.433 2.335 -1.640 1.00 0.00 C ATOM 516 CD2 LEU A 35 -22.525 2.529 -0.204 1.00 0.00 C ATOM 0 H LEU A 35 -21.458 2.864 2.148 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.109 2.513 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.248 4.686 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.909 4.798 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 35 -21.756 3.989 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -21.040 1.775 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.693 2.925 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.925 1.641 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -23.045 1.965 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.169 1.845 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -23.210 3.251 0.240 1.00 0.00 H new ATOM 528 N ASP A 36 -18.750 4.722 2.981 1.00 0.00 N ATOM 529 CA ASP A 36 -17.958 5.758 3.676 1.00 0.00 C ATOM 530 C ASP A 36 -17.964 7.115 2.954 1.00 0.00 C ATOM 531 O ASP A 36 -18.373 7.225 1.802 1.00 0.00 O ATOM 532 CB ASP A 36 -16.527 5.272 3.951 1.00 0.00 C ATOM 533 CG ASP A 36 -16.500 4.059 4.888 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.569 4.309 6.112 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.520 2.919 4.373 1.00 0.00 O ATOM 0 H ASP A 36 -19.497 4.353 3.569 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.451 5.927 4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.045 5.012 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.948 6.083 4.392 1.00 0.00 H new ATOM 540 N ASN A 37 -17.689 8.162 3.726 1.00 0.00 N ATOM 541 CA ASN A 37 -17.553 9.530 3.185 1.00 0.00 C ATOM 542 C ASN A 37 -16.210 9.800 2.465 1.00 0.00 C ATOM 543 O ASN A 37 -15.891 10.939 2.137 1.00 0.00 O ATOM 544 CB ASN A 37 -17.820 10.501 4.342 1.00 0.00 C ATOM 545 CG ASN A 37 -18.041 11.944 3.883 1.00 0.00 C ATOM 546 OD1 ASN A 37 -17.317 12.858 4.248 1.00 0.00 O ATOM 547 ND2 ASN A 37 -19.082 12.169 3.114 1.00 0.00 N ATOM 0 H ASN A 37 -17.554 8.099 4.735 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.284 9.674 2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.697 10.164 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.978 10.472 5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -19.297 13.119 2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -19.675 11.393 2.819 1.00 0.00 H new ATOM 554 N PHE A 38 -15.428 8.735 2.257 1.00 0.00 N ATOM 555 CA PHE A 38 -14.140 8.684 1.520 1.00 0.00 C ATOM 556 C PHE A 38 -13.101 9.823 1.649 1.00 0.00 C ATOM 557 O PHE A 38 -12.209 9.973 0.813 1.00 0.00 O ATOM 558 CB PHE A 38 -14.401 8.293 0.053 1.00 0.00 C ATOM 559 CG PHE A 38 -15.460 9.143 -0.655 1.00 0.00 C ATOM 560 CD1 PHE A 38 -15.111 10.363 -1.220 1.00 0.00 C ATOM 561 CD2 PHE A 38 -16.786 8.728 -0.648 1.00 0.00 C ATOM 562 CE1 PHE A 38 -16.097 11.173 -1.771 1.00 0.00 C ATOM 563 CE2 PHE A 38 -17.771 9.544 -1.188 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.426 10.767 -1.751 1.00 0.00 C ATOM 0 H PHE A 38 -15.687 7.818 2.620 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.598 7.917 2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.465 8.367 -0.501 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.710 7.248 0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.079 10.681 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.050 7.771 -0.223 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.830 12.120 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.804 9.229 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.191 11.402 -2.173 1.00 0.00 H new ATOM 574 N PHE A 39 -13.190 10.569 2.749 1.00 0.00 N ATOM 575 CA PHE A 39 -12.209 11.620 3.086 1.00 0.00 C ATOM 576 C PHE A 39 -11.487 11.324 4.421 1.00 0.00 C ATOM 577 O PHE A 39 -10.479 10.617 4.450 1.00 0.00 O ATOM 578 CB PHE A 39 -12.980 12.950 3.060 1.00 0.00 C ATOM 579 CG PHE A 39 -12.094 14.196 3.050 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.649 14.692 1.830 1.00 0.00 C ATOM 581 CD2 PHE A 39 -11.967 14.974 4.196 1.00 0.00 C ATOM 582 CE1 PHE A 39 -11.109 15.970 1.749 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.432 16.254 4.116 1.00 0.00 C ATOM 584 CZ PHE A 39 -11.007 16.754 2.892 1.00 0.00 C ATOM 0 H PHE A 39 -13.938 10.469 3.435 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.393 11.665 2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.620 12.967 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.635 12.993 3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.723 14.082 0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.285 14.582 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.769 16.354 0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.347 16.860 5.006 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.598 17.751 2.828 1.00 0.00 H new ATOM 594 N GLN A 40 -12.100 11.728 5.534 1.00 0.00 N ATOM 595 CA GLN A 40 -11.563 11.564 6.904 1.00 0.00 C ATOM 596 C GLN A 40 -11.263 10.144 7.425 1.00 0.00 C ATOM 597 O GLN A 40 -10.431 10.001 8.320 1.00 0.00 O ATOM 598 CB GLN A 40 -12.379 12.362 7.940 1.00 0.00 C ATOM 599 CG GLN A 40 -13.897 12.115 8.004 1.00 0.00 C ATOM 600 CD GLN A 40 -14.678 12.682 6.810 1.00 0.00 C ATOM 601 OE1 GLN A 40 -14.211 13.495 6.028 1.00 0.00 O ATOM 602 NE2 GLN A 40 -15.902 12.255 6.634 1.00 0.00 N ATOM 0 H GLN A 40 -13.008 12.192 5.518 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.564 11.983 6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.964 12.153 8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.220 13.423 7.746 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.077 11.042 8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.287 12.556 8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.303 11.576 7.281 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.455 12.601 5.850 1.00 0.00 H new ATOM 611 N ILE A 41 -11.805 9.115 6.769 1.00 0.00 N ATOM 612 CA ILE A 41 -11.685 7.697 7.205 1.00 0.00 C ATOM 613 C ILE A 41 -10.233 7.209 7.400 1.00 0.00 C ATOM 614 O ILE A 41 -9.969 6.336 8.226 1.00 0.00 O ATOM 615 CB ILE A 41 -12.481 6.697 6.328 1.00 0.00 C ATOM 616 CG1 ILE A 41 -11.900 6.362 4.938 1.00 0.00 C ATOM 617 CG2 ILE A 41 -13.972 7.054 6.281 1.00 0.00 C ATOM 618 CD1 ILE A 41 -11.673 7.521 3.960 1.00 0.00 C ATOM 0 H ILE A 41 -12.346 9.230 5.912 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.151 7.708 8.190 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.363 5.749 6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.945 5.857 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.568 5.646 4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.499 6.332 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.384 7.031 7.290 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.094 8.053 5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.262 7.135 3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.622 8.019 3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.974 8.234 4.397 1.00 0.00 H new ATOM 630 N GLY A 42 -9.334 7.752 6.564 1.00 0.00 N ATOM 631 CA GLY A 42 -7.882 7.508 6.666 1.00 0.00 C ATOM 632 C GLY A 42 -7.091 8.735 7.138 1.00 0.00 C ATOM 633 O GLY A 42 -6.263 8.628 8.046 1.00 0.00 O ATOM 0 H GLY A 42 -9.591 8.373 5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.707 6.684 7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.504 7.193 5.693 1.00 0.00 H new ATOM 637 N GLY A 43 -7.305 9.857 6.432 1.00 0.00 N ATOM 638 CA GLY A 43 -6.631 11.141 6.719 1.00 0.00 C ATOM 639 C GLY A 43 -5.102 10.995 6.791 1.00 0.00 C ATOM 640 O GLY A 43 -4.488 10.284 5.998 1.00 0.00 O ATOM 0 H GLY A 43 -7.951 9.903 5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.888 11.865 5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.000 11.539 7.664 1.00 0.00 H new ATOM 644 N HIS A 44 -4.526 11.785 7.690 1.00 0.00 N ATOM 645 CA HIS A 44 -3.092 11.719 8.055 1.00 0.00 C ATOM 646 C HIS A 44 -2.847 11.889 9.569 1.00 0.00 C ATOM 647 O HIS A 44 -1.982 12.634 10.028 1.00 0.00 O ATOM 648 CB HIS A 44 -2.267 12.691 7.191 1.00 0.00 C ATOM 649 CG HIS A 44 -2.867 14.095 7.019 1.00 0.00 C ATOM 650 ND1 HIS A 44 -3.057 14.692 5.846 1.00 0.00 N ATOM 651 CD2 HIS A 44 -3.381 14.881 7.964 1.00 0.00 C ATOM 652 CE1 HIS A 44 -3.708 15.831 6.061 1.00 0.00 C ATOM 653 NE2 HIS A 44 -3.914 15.943 7.370 1.00 0.00 N ATOM 0 H HIS A 44 -5.039 12.504 8.200 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.741 10.711 7.832 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.275 12.790 7.633 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.133 12.248 6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.367 14.689 9.027 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.015 16.540 5.306 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.397 16.711 7.837 1.00 0.00 H new ATOM 662 N SER A 45 -3.714 11.233 10.337 1.00 0.00 N ATOM 663 CA SER A 45 -3.720 11.311 11.815 1.00 0.00 C ATOM 664 C SER A 45 -3.767 9.903 12.444 1.00 0.00 C ATOM 665 O SER A 45 -3.410 8.922 11.788 1.00 0.00 O ATOM 666 CB SER A 45 -4.904 12.188 12.256 1.00 0.00 C ATOM 667 OG SER A 45 -4.836 13.477 11.641 1.00 0.00 O ATOM 0 H SER A 45 -4.441 10.626 9.959 1.00 0.00 H new ATOM 0 HA SER A 45 -2.796 11.769 12.168 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.842 11.702 11.989 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.898 12.296 13.341 1.00 0.00 H new ATOM 0 HG SER A 45 -5.598 14.019 11.933 1.00 0.00 H new ATOM 673 N LEU A 46 -4.290 9.795 13.671 1.00 0.00 N ATOM 674 CA LEU A 46 -4.477 8.510 14.382 1.00 0.00 C ATOM 675 C LEU A 46 -5.190 7.420 13.557 1.00 0.00 C ATOM 676 O LEU A 46 -4.792 6.259 13.620 1.00 0.00 O ATOM 677 CB LEU A 46 -5.173 8.748 15.734 1.00 0.00 C ATOM 678 CG LEU A 46 -6.600 9.305 15.645 1.00 0.00 C ATOM 679 CD1 LEU A 46 -7.634 8.198 15.863 1.00 0.00 C ATOM 680 CD2 LEU A 46 -6.792 10.441 16.650 1.00 0.00 C ATOM 0 H LEU A 46 -4.601 10.603 14.210 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.478 8.110 14.556 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.201 7.805 16.281 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.567 9.438 16.320 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.750 9.706 14.643 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.637 8.619 15.795 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.510 7.429 15.100 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.492 7.756 16.849 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.809 10.826 16.575 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.619 10.067 17.659 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.085 11.242 16.434 1.00 0.00 H new ATOM 692 N LYS A 47 -6.114 7.847 12.690 1.00 0.00 N ATOM 693 CA LYS A 47 -6.818 7.001 11.703 1.00 0.00 C ATOM 694 C LYS A 47 -5.867 6.074 10.928 1.00 0.00 C ATOM 695 O LYS A 47 -5.773 4.897 11.271 1.00 0.00 O ATOM 696 CB LYS A 47 -7.629 7.877 10.736 1.00 0.00 C ATOM 697 CG LYS A 47 -8.852 8.544 11.367 1.00 0.00 C ATOM 698 CD LYS A 47 -9.945 7.517 11.677 1.00 0.00 C ATOM 699 CE LYS A 47 -10.306 7.490 13.164 1.00 0.00 C ATOM 700 NZ LYS A 47 -10.881 8.762 13.629 1.00 0.00 N ATOM 0 H LYS A 47 -6.407 8.823 12.649 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.496 6.355 12.261 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.977 8.650 10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.957 7.264 9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.558 9.054 12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.244 9.304 10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.835 7.749 11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.610 6.527 11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.018 6.685 13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.413 7.264 13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.652 8.570 14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.144 9.324 14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.253 9.293 12.816 1.00 0.00 H new ATOM 714 N ALA A 48 -5.078 6.633 10.007 1.00 0.00 N ATOM 715 CA ALA A 48 -4.041 5.901 9.246 1.00 0.00 C ATOM 716 C ALA A 48 -3.179 4.933 10.081 1.00 0.00 C ATOM 717 O ALA A 48 -3.065 3.766 9.714 1.00 0.00 O ATOM 718 CB ALA A 48 -3.151 6.909 8.514 1.00 0.00 C ATOM 0 H ALA A 48 -5.136 7.621 9.759 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.576 5.262 8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.385 6.376 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.759 7.501 7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.675 7.569 9.240 1.00 0.00 H new ATOM 724 N MET A 49 -2.761 5.367 11.272 1.00 0.00 N ATOM 725 CA MET A 49 -1.988 4.536 12.226 1.00 0.00 C ATOM 726 C MET A 49 -2.772 3.340 12.803 1.00 0.00 C ATOM 727 O MET A 49 -2.365 2.189 12.645 1.00 0.00 O ATOM 728 CB MET A 49 -1.431 5.405 13.362 1.00 0.00 C ATOM 729 CG MET A 49 -0.349 6.376 12.879 1.00 0.00 C ATOM 730 SD MET A 49 1.132 5.536 12.206 1.00 0.00 S ATOM 731 CE MET A 49 2.114 6.951 11.762 1.00 0.00 C ATOM 0 H MET A 49 -2.946 6.310 11.613 1.00 0.00 H new ATOM 0 HA MET A 49 -1.170 4.105 11.648 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.245 5.970 13.816 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.017 4.761 14.138 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.770 7.025 12.111 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.049 7.016 13.709 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.059 6.618 11.333 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.575 7.553 11.030 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.311 7.551 12.651 1.00 0.00 H new ATOM 741 N ALA A 50 -3.945 3.621 13.369 1.00 0.00 N ATOM 742 CA ALA A 50 -4.870 2.597 13.904 1.00 0.00 C ATOM 743 C ALA A 50 -5.346 1.618 12.817 1.00 0.00 C ATOM 744 O ALA A 50 -5.353 0.402 13.019 1.00 0.00 O ATOM 745 CB ALA A 50 -6.073 3.288 14.554 1.00 0.00 C ATOM 0 H ALA A 50 -4.293 4.574 13.475 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.328 2.012 14.647 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.755 2.535 14.949 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.730 3.928 15.367 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.591 3.893 13.810 1.00 0.00 H new ATOM 751 N VAL A 51 -5.619 2.158 11.631 1.00 0.00 N ATOM 752 CA VAL A 51 -5.974 1.361 10.439 1.00 0.00 C ATOM 753 C VAL A 51 -4.779 0.512 9.967 1.00 0.00 C ATOM 754 O VAL A 51 -4.980 -0.661 9.683 1.00 0.00 O ATOM 755 CB VAL A 51 -6.560 2.213 9.297 1.00 0.00 C ATOM 756 CG1 VAL A 51 -7.055 1.320 8.153 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.741 3.066 9.768 1.00 0.00 C ATOM 0 H VAL A 51 -5.603 3.163 11.460 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.772 0.682 10.741 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.756 2.865 8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.465 1.942 7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.223 0.733 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.829 0.649 8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.124 3.651 8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.530 2.417 10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.411 3.738 10.560 1.00 0.00 H new ATOM 767 N ALA A 52 -3.558 1.048 9.989 1.00 0.00 N ATOM 768 CA ALA A 52 -2.334 0.262 9.711 1.00 0.00 C ATOM 769 C ALA A 52 -2.237 -0.978 10.617 1.00 0.00 C ATOM 770 O ALA A 52 -2.167 -2.097 10.112 1.00 0.00 O ATOM 771 CB ALA A 52 -1.085 1.131 9.885 1.00 0.00 C ATOM 0 H ALA A 52 -3.380 2.030 10.197 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.395 -0.078 8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.196 0.536 9.676 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.128 1.973 9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.041 1.503 10.908 1.00 0.00 H new ATOM 777 N ALA A 53 -2.497 -0.773 11.912 1.00 0.00 N ATOM 778 CA ALA A 53 -2.610 -1.868 12.899 1.00 0.00 C ATOM 779 C ALA A 53 -3.716 -2.876 12.533 1.00 0.00 C ATOM 780 O ALA A 53 -3.424 -4.060 12.378 1.00 0.00 O ATOM 781 CB ALA A 53 -2.837 -1.286 14.298 1.00 0.00 C ATOM 0 H ALA A 53 -2.636 0.155 12.312 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.671 -2.422 12.890 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.919 -2.098 15.021 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.997 -0.645 14.566 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.756 -0.700 14.304 1.00 0.00 H new ATOM 787 N GLN A 54 -4.916 -2.371 12.235 1.00 0.00 N ATOM 788 CA GLN A 54 -6.083 -3.152 11.758 1.00 0.00 C ATOM 789 C GLN A 54 -5.756 -3.996 10.504 1.00 0.00 C ATOM 790 O GLN A 54 -5.934 -5.213 10.492 1.00 0.00 O ATOM 791 CB GLN A 54 -7.210 -2.148 11.458 1.00 0.00 C ATOM 792 CG GLN A 54 -8.552 -2.769 11.039 1.00 0.00 C ATOM 793 CD GLN A 54 -9.573 -1.804 10.402 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.581 -2.217 9.843 1.00 0.00 O ATOM 795 NE2 GLN A 54 -9.331 -0.510 10.389 1.00 0.00 N ATOM 0 H GLN A 54 -5.119 -1.375 12.319 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.382 -3.864 12.527 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.374 -1.536 12.345 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.876 -1.478 10.666 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.352 -3.574 10.332 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.010 -3.223 11.918 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.498 -0.142 10.848 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.977 0.125 9.920 1.00 0.00 H new ATOM 804 N VAL A 55 -5.196 -3.333 9.494 1.00 0.00 N ATOM 805 CA VAL A 55 -4.799 -3.923 8.196 1.00 0.00 C ATOM 806 C VAL A 55 -3.653 -4.948 8.337 1.00 0.00 C ATOM 807 O VAL A 55 -3.521 -5.851 7.513 1.00 0.00 O ATOM 808 CB VAL A 55 -4.536 -2.806 7.158 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.145 -3.336 5.776 1.00 0.00 C ATOM 810 CG2 VAL A 55 -5.802 -1.972 6.943 1.00 0.00 C ATOM 0 H VAL A 55 -4.995 -2.335 9.549 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.631 -4.513 7.812 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.712 -2.224 7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.976 -2.498 5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.232 -3.926 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.948 -3.961 5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.602 -1.190 6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.604 -2.615 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.103 -1.517 7.887 1.00 0.00 H new ATOM 820 N HIS A 56 -2.799 -4.753 9.338 1.00 0.00 N ATOM 821 CA HIS A 56 -1.821 -5.768 9.772 1.00 0.00 C ATOM 822 C HIS A 56 -2.523 -6.983 10.417 1.00 0.00 C ATOM 823 O HIS A 56 -2.815 -7.948 9.717 1.00 0.00 O ATOM 824 CB HIS A 56 -0.782 -5.079 10.672 1.00 0.00 C ATOM 825 CG HIS A 56 0.475 -5.891 11.014 1.00 0.00 C ATOM 826 ND1 HIS A 56 1.309 -5.598 12.009 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.962 -6.961 10.386 1.00 0.00 C ATOM 828 CE1 HIS A 56 2.302 -6.482 11.999 1.00 0.00 C ATOM 829 NE2 HIS A 56 2.083 -7.328 10.999 1.00 0.00 N ATOM 0 H HIS A 56 -2.759 -3.888 9.877 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.289 -6.189 8.919 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.469 -4.155 10.186 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.271 -4.799 11.605 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.522 -7.446 9.527 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.138 -6.508 12.682 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.672 -8.121 10.746 1.00 0.00 H new ATOM 838 N ARG A 57 -3.055 -6.809 11.626 1.00 0.00 N ATOM 839 CA ARG A 57 -3.631 -7.911 12.436 1.00 0.00 C ATOM 840 C ARG A 57 -4.882 -8.632 11.893 1.00 0.00 C ATOM 841 O ARG A 57 -4.961 -9.856 11.961 1.00 0.00 O ATOM 842 CB ARG A 57 -3.855 -7.455 13.888 1.00 0.00 C ATOM 843 CG ARG A 57 -4.787 -6.246 14.015 1.00 0.00 C ATOM 844 CD ARG A 57 -4.726 -5.635 15.413 1.00 0.00 C ATOM 845 NE ARG A 57 -5.067 -4.206 15.298 1.00 0.00 N ATOM 846 CZ ARG A 57 -6.060 -3.556 15.906 1.00 0.00 C ATOM 847 NH1 ARG A 57 -6.872 -4.150 16.771 1.00 0.00 N ATOM 848 NH2 ARG A 57 -6.224 -2.259 15.691 1.00 0.00 N ATOM 0 H ARG A 57 -3.105 -5.899 12.084 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.864 -8.683 12.374 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.270 -8.285 14.460 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.892 -7.209 14.335 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.511 -5.494 13.276 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.810 -6.550 13.794 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.423 -6.141 16.081 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.730 -5.757 15.839 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.475 -3.649 14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.748 -5.138 16.991 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.620 -3.618 17.216 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.592 -1.762 15.063 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.982 -1.757 16.154 1.00 0.00 H new ATOM 862 N GLU A 58 -5.826 -7.875 11.336 1.00 0.00 N ATOM 863 CA GLU A 58 -7.124 -8.412 10.870 1.00 0.00 C ATOM 864 C GLU A 58 -7.223 -8.551 9.337 1.00 0.00 C ATOM 865 O GLU A 58 -8.014 -9.352 8.841 1.00 0.00 O ATOM 866 CB GLU A 58 -8.250 -7.524 11.423 1.00 0.00 C ATOM 867 CG GLU A 58 -9.633 -8.174 11.291 1.00 0.00 C ATOM 868 CD GLU A 58 -10.741 -7.272 11.834 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.244 -6.448 11.038 1.00 0.00 O ATOM 870 OE2 GLU A 58 -11.066 -7.423 13.031 1.00 0.00 O ATOM 0 H GLU A 58 -5.722 -6.871 11.191 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.220 -9.429 11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.054 -7.306 12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.249 -6.571 10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.830 -8.400 10.243 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.641 -9.122 11.828 1.00 0.00 H new ATOM 877 N TYR A 59 -6.505 -7.697 8.609 1.00 0.00 N ATOM 878 CA TYR A 59 -6.480 -7.745 7.133 1.00 0.00 C ATOM 879 C TYR A 59 -5.308 -8.554 6.547 1.00 0.00 C ATOM 880 O TYR A 59 -5.367 -8.956 5.387 1.00 0.00 O ATOM 881 CB TYR A 59 -6.487 -6.340 6.510 1.00 0.00 C ATOM 882 CG TYR A 59 -7.747 -5.479 6.703 1.00 0.00 C ATOM 883 CD1 TYR A 59 -8.345 -5.294 7.947 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.256 -4.792 5.605 1.00 0.00 C ATOM 885 CE1 TYR A 59 -9.440 -4.454 8.085 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.335 -3.926 5.745 1.00 0.00 C ATOM 887 CZ TYR A 59 -9.916 -3.742 6.993 1.00 0.00 C ATOM 888 OH TYR A 59 -10.840 -2.767 7.192 1.00 0.00 O ATOM 0 H TYR A 59 -5.928 -6.958 9.011 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.399 -8.268 6.868 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.639 -5.789 6.916 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.315 -6.447 5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.953 -5.809 8.812 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.808 -4.933 4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.924 -4.354 9.045 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.720 -3.398 4.885 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.829 -2.493 8.133 1.00 0.00 H new ATOM 898 N GLN A 60 -4.233 -8.715 7.326 1.00 0.00 N ATOM 899 CA GLN A 60 -2.934 -9.319 6.949 1.00 0.00 C ATOM 900 C GLN A 60 -2.097 -8.601 5.877 1.00 0.00 C ATOM 901 O GLN A 60 -0.875 -8.535 5.992 1.00 0.00 O ATOM 902 CB GLN A 60 -3.037 -10.818 6.641 1.00 0.00 C ATOM 903 CG GLN A 60 -3.063 -11.629 7.938 1.00 0.00 C ATOM 904 CD GLN A 60 -2.931 -13.129 7.659 1.00 0.00 C ATOM 905 OE1 GLN A 60 -3.868 -13.907 7.753 1.00 0.00 O ATOM 906 NE2 GLN A 60 -1.724 -13.572 7.380 1.00 0.00 N ATOM 0 H GLN A 60 -4.239 -8.410 8.299 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.364 -9.173 7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.940 -11.016 6.063 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.191 -11.129 6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.250 -11.305 8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.994 -11.437 8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.946 -12.917 7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.567 -14.570 7.241 1.00 0.00 H new ATOM 915 N VAL A 61 -2.776 -7.980 4.915 1.00 0.00 N ATOM 916 CA VAL A 61 -2.159 -7.236 3.788 1.00 0.00 C ATOM 917 C VAL A 61 -1.269 -6.043 4.226 1.00 0.00 C ATOM 918 O VAL A 61 -0.529 -5.489 3.415 1.00 0.00 O ATOM 919 CB VAL A 61 -3.182 -6.787 2.714 1.00 0.00 C ATOM 920 CG1 VAL A 61 -2.527 -6.855 1.330 1.00 0.00 C ATOM 921 CG2 VAL A 61 -4.506 -7.560 2.661 1.00 0.00 C ATOM 0 H VAL A 61 -3.796 -7.972 4.885 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.497 -7.971 3.329 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.453 -5.774 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.244 -6.540 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.659 -6.196 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.211 -7.878 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.135 -7.151 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.305 -8.612 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.020 -7.467 3.618 1.00 0.00 H new ATOM 931 N GLU A 62 -1.445 -5.569 5.464 1.00 0.00 N ATOM 932 CA GLU A 62 -0.584 -4.583 6.171 1.00 0.00 C ATOM 933 C GLU A 62 -0.152 -3.282 5.451 1.00 0.00 C ATOM 934 O GLU A 62 0.922 -2.734 5.705 1.00 0.00 O ATOM 935 CB GLU A 62 0.613 -5.275 6.855 1.00 0.00 C ATOM 936 CG GLU A 62 1.569 -6.022 5.912 1.00 0.00 C ATOM 937 CD GLU A 62 2.949 -6.329 6.508 1.00 0.00 C ATOM 938 OE1 GLU A 62 3.085 -6.335 7.752 1.00 0.00 O ATOM 939 OE2 GLU A 62 3.878 -6.494 5.687 1.00 0.00 O ATOM 0 H GLU A 62 -2.230 -5.872 6.040 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.286 -4.183 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.182 -4.523 7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.230 -5.982 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.102 -6.960 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.703 -5.428 5.008 1.00 0.00 H new ATOM 946 N LEU A 63 -1.070 -2.701 4.683 1.00 0.00 N ATOM 947 CA LEU A 63 -0.797 -1.470 3.912 1.00 0.00 C ATOM 948 C LEU A 63 -1.726 -0.272 4.213 1.00 0.00 C ATOM 949 O LEU A 63 -2.874 -0.234 3.756 1.00 0.00 O ATOM 950 CB LEU A 63 -0.650 -1.780 2.407 1.00 0.00 C ATOM 951 CG LEU A 63 -1.898 -2.119 1.571 1.00 0.00 C ATOM 952 CD1 LEU A 63 -1.457 -2.477 0.153 1.00 0.00 C ATOM 953 CD2 LEU A 63 -2.727 -3.277 2.123 1.00 0.00 C ATOM 0 H LEU A 63 -2.019 -3.059 4.571 1.00 0.00 H new ATOM 0 HA LEU A 63 0.166 -1.109 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.172 -0.918 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.042 -2.617 2.313 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.535 -1.235 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.332 -2.719 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.934 -1.629 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.789 -3.338 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.587 -3.450 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.114 -4.178 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.073 -3.031 3.127 1.00 0.00 H new ATOM 965 N PRO A 64 -1.257 0.677 5.042 1.00 0.00 N ATOM 966 CA PRO A 64 -1.976 1.937 5.322 1.00 0.00 C ATOM 967 C PRO A 64 -2.080 2.827 4.074 1.00 0.00 C ATOM 968 O PRO A 64 -1.374 2.621 3.088 1.00 0.00 O ATOM 969 CB PRO A 64 -1.173 2.617 6.433 1.00 0.00 C ATOM 970 CG PRO A 64 0.246 2.095 6.218 1.00 0.00 C ATOM 971 CD PRO A 64 0.026 0.647 5.774 1.00 0.00 C ATOM 0 HA PRO A 64 -3.007 1.750 5.623 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.217 3.703 6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.552 2.354 7.421 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.776 2.672 5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.837 2.150 7.132 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.839 0.299 5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.020 -0.028 6.629 1.00 0.00 H new ATOM 979 N LEU A 65 -3.032 3.757 4.136 1.00 0.00 N ATOM 980 CA LEU A 65 -3.399 4.730 3.078 1.00 0.00 C ATOM 981 C LEU A 65 -4.003 4.106 1.806 1.00 0.00 C ATOM 982 O LEU A 65 -5.097 4.505 1.415 1.00 0.00 O ATOM 983 CB LEU A 65 -2.235 5.692 2.771 1.00 0.00 C ATOM 984 CG LEU A 65 -2.630 6.898 1.908 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.832 8.126 2.347 1.00 0.00 C ATOM 986 CD2 LEU A 65 -2.358 6.635 0.424 1.00 0.00 C ATOM 0 H LEU A 65 -3.608 3.868 4.970 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.218 5.316 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.818 6.053 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.445 5.139 2.263 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.698 7.070 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.114 8.982 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.046 8.344 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.767 7.929 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.649 7.509 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.296 6.438 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.936 5.771 0.096 1.00 0.00 H new ATOM 998 N LYS A 66 -3.390 3.057 1.258 1.00 0.00 N ATOM 999 CA LYS A 66 -3.917 2.353 0.067 1.00 0.00 C ATOM 1000 C LYS A 66 -5.350 1.845 0.303 1.00 0.00 C ATOM 1001 O LYS A 66 -6.283 2.452 -0.218 1.00 0.00 O ATOM 1002 CB LYS A 66 -3.021 1.192 -0.383 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.602 1.628 -0.759 1.00 0.00 C ATOM 1004 CD LYS A 66 -1.004 0.635 -1.759 1.00 0.00 C ATOM 1005 CE LYS A 66 0.512 0.782 -1.917 1.00 0.00 C ATOM 1006 NZ LYS A 66 1.232 0.207 -0.771 1.00 0.00 N ATOM 0 H LYS A 66 -2.519 2.666 1.617 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.927 3.091 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.966 0.454 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.481 0.699 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.621 2.628 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.979 1.680 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.233 -0.380 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.480 0.775 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.833 0.288 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.768 1.837 -2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.255 0.339 -0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.931 0.684 0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.020 -0.809 -0.702 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.494 1.058 1.372 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.784 0.517 1.871 1.00 0.00 C ATOM 1022 C VAL A 67 -7.759 1.573 2.461 1.00 0.00 C ATOM 1023 O VAL A 67 -8.921 1.286 2.734 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.420 -0.683 2.778 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -7.521 -1.208 3.702 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -6.018 -1.859 1.885 1.00 0.00 C ATOM 0 H VAL A 67 -4.699 0.764 1.939 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.406 0.166 1.048 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.630 -0.299 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.139 -2.047 4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.839 -0.414 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.371 -1.537 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.757 -2.716 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.851 -2.123 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.158 -1.577 1.277 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.358 2.838 2.369 1.00 0.00 N ATOM 1037 CA LEU A 68 -8.098 4.005 2.893 1.00 0.00 C ATOM 1038 C LEU A 68 -8.518 5.041 1.838 1.00 0.00 C ATOM 1039 O LEU A 68 -9.413 5.841 2.097 1.00 0.00 O ATOM 1040 CB LEU A 68 -7.254 4.690 3.972 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.160 3.849 5.246 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -6.025 4.374 6.127 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -8.493 3.880 6.000 1.00 0.00 C ATOM 0 H LEU A 68 -6.482 3.098 1.915 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.030 3.608 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.252 4.875 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.688 5.661 4.210 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.945 2.814 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.961 3.773 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.083 4.311 5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.222 5.412 6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.413 3.278 6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.735 4.908 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.280 3.476 5.364 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.723 5.143 0.775 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.989 6.042 -0.366 1.00 0.00 C ATOM 1057 C PHE A 69 -8.327 5.320 -1.683 1.00 0.00 C ATOM 1058 O PHE A 69 -9.215 5.761 -2.407 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.787 6.977 -0.552 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.697 8.037 0.554 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -6.083 7.759 1.771 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -7.234 9.300 0.331 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.999 8.736 2.757 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -7.151 10.278 1.314 1.00 0.00 C ATOM 1065 CZ PHE A 69 -6.533 9.998 2.527 1.00 0.00 C ATOM 0 H PHE A 69 -6.865 4.602 0.672 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.888 6.608 -0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.870 6.388 -0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.860 7.471 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.669 6.778 1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.717 9.521 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.520 8.514 3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.568 11.258 1.135 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.468 10.760 3.290 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.660 4.195 -1.954 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.930 3.354 -3.140 1.00 0.00 C ATOM 1077 C ALA A 70 -9.200 2.500 -2.972 1.00 0.00 C ATOM 1078 O ALA A 70 -9.979 2.347 -3.911 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.717 2.469 -3.448 1.00 0.00 C ATOM 0 H ALA A 70 -6.914 3.834 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.107 4.022 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.928 1.854 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.849 3.098 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.510 1.825 -2.593 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.344 1.881 -1.798 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.612 1.240 -1.390 1.00 0.00 C ATOM 1087 C GLN A 71 -11.223 1.848 -0.099 1.00 0.00 C ATOM 1088 O GLN A 71 -11.483 1.120 0.862 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.468 -0.296 -1.347 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.404 -0.872 -0.401 1.00 0.00 C ATOM 1091 CD GLN A 71 -8.017 -0.941 -1.045 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.291 0.034 -1.165 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.618 -2.120 -1.460 1.00 0.00 N ATOM 0 H GLN A 71 -8.599 1.806 -1.105 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.349 1.465 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.433 -0.719 -1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.247 -0.644 -2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.353 -0.258 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.705 -1.872 -0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.229 -2.930 -1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.697 -2.226 -1.886 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.675 3.115 -0.152 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.136 3.883 1.031 1.00 0.00 C ATOM 1104 C PRO A 72 -13.546 3.528 1.556 1.00 0.00 C ATOM 1105 O PRO A 72 -14.142 4.283 2.322 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.080 5.331 0.542 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.504 5.224 -0.920 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.849 3.922 -1.379 1.00 0.00 C ATOM 0 HA PRO A 72 -11.509 3.661 1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.753 5.974 1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.079 5.751 0.641 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.588 5.187 -1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.157 6.077 -1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.474 3.403 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.891 4.113 -1.862 1.00 0.00 H new ATOM 1116 N THR A 73 -13.964 2.294 1.295 1.00 0.00 N ATOM 1117 CA THR A 73 -15.337 1.796 1.530 1.00 0.00 C ATOM 1118 C THR A 73 -15.307 0.386 2.128 1.00 0.00 C ATOM 1119 O THR A 73 -14.659 -0.504 1.574 1.00 0.00 O ATOM 1120 CB THR A 73 -16.194 1.838 0.244 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.437 1.153 0.438 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.499 1.313 -1.020 1.00 0.00 C ATOM 0 H THR A 73 -13.347 1.583 0.902 1.00 0.00 H new ATOM 0 HA THR A 73 -15.809 2.464 2.250 1.00 0.00 H new ATOM 0 HB THR A 73 -16.368 2.899 0.064 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.697 1.207 1.381 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.182 1.384 -1.867 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.609 1.910 -1.220 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.212 0.272 -0.872 1.00 0.00 H new ATOM 1130 N ILE A 74 -16.147 0.172 3.139 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.274 -1.142 3.808 1.00 0.00 C ATOM 1132 C ILE A 74 -16.767 -2.256 2.857 1.00 0.00 C ATOM 1133 O ILE A 74 -16.381 -3.409 3.024 1.00 0.00 O ATOM 1134 CB ILE A 74 -17.014 -1.008 5.159 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.354 -1.835 6.279 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.527 -1.241 5.094 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -16.307 -3.363 6.117 1.00 0.00 C ATOM 0 H ILE A 74 -16.759 0.892 3.523 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.279 -1.497 4.079 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.905 0.046 5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.330 -1.480 6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.877 -1.614 7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.956 -1.125 6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.978 -0.515 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.725 -2.249 4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.814 -3.806 6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.322 -3.752 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.751 -3.616 5.214 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.447 -1.858 1.780 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.818 -2.742 0.652 1.00 0.00 C ATOM 1151 C LYS A 75 -16.562 -3.436 0.081 1.00 0.00 C ATOM 1152 O LYS A 75 -16.303 -4.601 0.385 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.593 -1.859 -0.342 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.880 -2.415 -1.741 1.00 0.00 C ATOM 1155 CD LYS A 75 -17.953 -1.742 -2.759 1.00 0.00 C ATOM 1156 CE LYS A 75 -18.411 -1.912 -4.212 1.00 0.00 C ATOM 1157 NZ LYS A 75 -18.341 -3.302 -4.684 1.00 0.00 N ATOM 0 H LYS A 75 -17.765 -0.897 1.657 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.462 -3.572 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.549 -1.603 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.038 -0.929 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.728 -3.494 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.922 -2.237 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.887 -0.678 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.950 -2.154 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.436 -1.554 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.794 -1.285 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.663 -3.350 -5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.359 -3.640 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.951 -3.901 -4.091 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.653 -2.611 -0.439 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.346 -3.065 -0.949 1.00 0.00 C ATOM 1173 C ALA A 76 -13.429 -3.637 0.147 1.00 0.00 C ATOM 1174 O ALA A 76 -12.762 -4.641 -0.092 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.659 -1.924 -1.695 1.00 0.00 C ATOM 0 H ALA A 76 -15.797 -1.605 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.538 -3.890 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.694 -2.264 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.283 -1.609 -2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.509 -1.084 -1.017 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.483 -3.078 1.359 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.755 -3.627 2.526 1.00 0.00 C ATOM 1183 C LEU A 77 -13.145 -5.087 2.816 1.00 0.00 C ATOM 1184 O LEU A 77 -12.276 -5.955 2.852 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.964 -2.784 3.794 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.558 -1.306 3.677 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.825 -0.584 4.997 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -11.091 -1.132 3.288 1.00 0.00 C ATOM 0 H LEU A 77 -14.025 -2.239 1.567 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.700 -3.592 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.016 -2.833 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.397 -3.236 4.608 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.163 -0.871 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.534 0.462 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.886 -0.646 5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.245 -1.053 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.856 -0.070 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.457 -1.595 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.912 -1.607 2.323 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.450 -5.365 2.791 1.00 0.00 N ATOM 1201 CA ALA A 78 -15.012 -6.725 2.920 1.00 0.00 C ATOM 1202 C ALA A 78 -14.549 -7.671 1.799 1.00 0.00 C ATOM 1203 O ALA A 78 -14.288 -8.840 2.075 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.541 -6.668 2.965 1.00 0.00 C ATOM 0 H ALA A 78 -15.163 -4.645 2.679 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.634 -7.133 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.940 -7.678 3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.858 -6.071 3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.915 -6.215 2.047 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.441 -7.160 0.572 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.811 -7.887 -0.555 1.00 0.00 C ATOM 1212 C GLN A 79 -12.316 -8.189 -0.336 1.00 0.00 C ATOM 1213 O GLN A 79 -11.891 -9.337 -0.449 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.020 -7.134 -1.877 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.369 -7.432 -2.545 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.589 -6.946 -1.756 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -17.132 -5.872 -1.977 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -17.080 -7.780 -0.865 1.00 0.00 N ATOM 0 H GLN A 79 -14.784 -6.233 0.321 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.314 -8.853 -0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -13.944 -6.063 -1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.217 -7.396 -2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.382 -6.969 -3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.455 -8.508 -2.697 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.616 -8.672 -0.691 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.924 -7.535 -0.348 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.569 -7.171 0.085 1.00 0.00 N ATOM 1228 CA TYR A 80 -10.137 -7.282 0.435 1.00 0.00 C ATOM 1229 C TYR A 80 -9.804 -8.187 1.637 1.00 0.00 C ATOM 1230 O TYR A 80 -8.664 -8.626 1.777 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.515 -5.888 0.581 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.992 -5.388 -0.770 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.820 -4.722 -1.666 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.673 -5.649 -1.123 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -9.336 -4.310 -2.900 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -7.184 -5.236 -2.355 1.00 0.00 C ATOM 1237 CZ TYR A 80 -8.009 -4.554 -3.239 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.454 -3.922 -4.303 1.00 0.00 O ATOM 0 H TYR A 80 -11.938 -6.227 0.198 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.680 -7.804 -0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.257 -5.191 0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.699 -5.921 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.848 -4.524 -1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.026 -6.175 -0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.988 -3.801 -3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.160 -5.446 -2.626 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.521 -4.204 -4.401 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.764 -8.358 2.545 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.668 -9.380 3.613 1.00 0.00 C ATOM 1250 C VAL A 81 -11.482 -10.656 3.343 1.00 0.00 C ATOM 1251 O VAL A 81 -10.979 -11.561 2.682 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.866 -8.849 5.048 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -9.612 -8.099 5.479 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -12.087 -7.946 5.248 1.00 0.00 C ATOM 0 H VAL A 81 -11.622 -7.807 2.571 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.620 -9.676 3.564 1.00 0.00 H new ATOM 0 HB VAL A 81 -11.050 -9.729 5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.745 -7.721 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.757 -8.775 5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.436 -7.264 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -12.136 -7.626 6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -12.002 -7.071 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.993 -8.497 4.994 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.783 -10.607 3.634 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.702 -11.763 3.587 1.00 0.00 C ATOM 1266 C ALA A 82 -14.179 -12.077 2.154 1.00 0.00 C ATOM 1267 O ALA A 82 -15.334 -11.889 1.764 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.864 -11.495 4.552 1.00 0.00 C ATOM 0 H ALA A 82 -13.246 -9.743 3.917 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.172 -12.661 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.555 -12.338 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.476 -11.368 5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.388 -10.589 4.248 1.00 0.00 H new ATOM 1274 N THR A 83 -13.189 -12.483 1.367 1.00 0.00 N ATOM 1275 CA THR A 83 -13.263 -12.914 -0.047 1.00 0.00 C ATOM 1276 C THR A 83 -11.949 -13.640 -0.406 1.00 0.00 C ATOM 1277 O THR A 83 -12.007 -14.758 -0.914 1.00 0.00 O ATOM 1278 CB THR A 83 -13.544 -11.738 -1.012 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.794 -11.119 -0.686 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.582 -12.154 -2.488 1.00 0.00 C ATOM 0 H THR A 83 -12.232 -12.527 1.718 1.00 0.00 H new ATOM 0 HA THR A 83 -14.106 -13.595 -0.163 1.00 0.00 H new ATOM 0 HB THR A 83 -12.714 -11.043 -0.883 1.00 0.00 H new ATOM 0 HG1 THR A 83 -15.226 -11.617 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.783 -11.280 -3.107 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.621 -12.584 -2.770 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.369 -12.894 -2.637 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.797 -13.027 -0.110 1.00 0.00 N ATOM 1289 CA ARG A 84 -9.487 -13.698 -0.296 1.00 0.00 C ATOM 1290 C ARG A 84 -8.636 -13.951 0.968 1.00 0.00 C ATOM 1291 O ARG A 84 -7.894 -14.930 1.023 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.638 -13.017 -1.387 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.948 -11.695 -1.011 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.891 -10.493 -0.896 1.00 0.00 C ATOM 1295 NE ARG A 84 -9.403 -10.057 -2.210 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.714 -9.443 -3.177 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.506 -8.934 -2.973 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -9.295 -9.194 -4.340 1.00 0.00 N ATOM 0 H ARG A 84 -10.735 -12.077 0.256 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.786 -14.696 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.870 -13.721 -1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.279 -12.831 -2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.432 -11.827 -0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.187 -11.472 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.729 -10.752 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.365 -9.665 -0.420 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.387 -10.244 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.072 -9.004 -2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.011 -8.473 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.264 -9.470 -4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.773 -8.726 -5.081 1.00 0.00 H new ATOM 1312 N SER A 85 -8.753 -13.081 1.975 1.00 0.00 N ATOM 1313 CA SER A 85 -7.931 -13.086 3.213 1.00 0.00 C ATOM 1314 C SER A 85 -6.402 -13.069 2.985 1.00 0.00 C ATOM 1315 O SER A 85 -5.993 -12.462 1.971 1.00 0.00 O ATOM 1316 CB SER A 85 -8.343 -14.239 4.141 1.00 0.00 C ATOM 1317 OG SER A 85 -9.695 -14.067 4.577 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.655 -13.581 3.852 1.00 99.99 O ATOM 0 H SER A 85 -9.440 -12.327 1.962 1.00 0.00 H new ATOM 0 HA SER A 85 -8.148 -12.135 3.699 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.241 -15.190 3.618 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.678 -14.276 5.003 1.00 0.00 H new ATOM 0 HG SER A 85 -9.946 -14.809 5.166 1.00 0.00 H new TER 1324 SER A 85