USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -157:sc= -0.163 (180deg=-0.691) USER MOD Single : A 1 MET N :NH3+ -109:sc= 1.14 (180deg=-1.81) USER MOD Single : A 4 HIS : no HD1:sc=-0.00485 X(o=-0.0049,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -136:sc= 0 (180deg=-1.29) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0146 F(o=-0.8,f=-0.015) USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= 0.321 (180deg=-0.91!) USER MOD Single : A 50 ASN : amide:sc= -0.98 K(o=-0.98,f=-7.1!) USER MOD Single : A 54 SER OG : rot -111:sc= 0.959 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0986 F(o=-3.7!,f=-0.099) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -113:sc= -0.0818 (180deg=-3.31!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 157:sc= -0.167 (180deg=-0.774) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 83 MET CE :methyl -161:sc= -0.182 (180deg=-0.745) USER MOD Single : A 88 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.8) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.751 -29.179 2.346 1.00 0.00 N ATOM 2 CA MET A 1 1.403 -28.588 2.144 1.00 0.00 C ATOM 3 C MET A 1 0.692 -29.242 0.958 1.00 0.00 C ATOM 4 O MET A 1 0.537 -28.630 -0.099 1.00 0.00 O ATOM 5 CB MET A 1 1.514 -27.075 1.924 1.00 0.00 C ATOM 6 CG MET A 1 2.536 -26.675 0.869 1.00 0.00 C ATOM 7 SD MET A 1 4.236 -26.769 1.464 1.00 0.00 S ATOM 8 CE MET A 1 4.244 -25.455 2.682 1.00 0.00 C ATOM 0 H1 MET A 1 2.750 -29.758 3.210 1.00 0.00 H new ATOM 0 H2 MET A 1 2.994 -29.776 1.530 1.00 0.00 H new ATOM 0 H3 MET A 1 3.453 -28.418 2.440 1.00 0.00 H new ATOM 0 HA MET A 1 0.813 -28.773 3.041 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.537 -26.688 1.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.777 -26.599 2.869 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.425 -27.323 -0.001 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.329 -25.658 0.537 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.266 -25.111 2.840 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.633 -24.625 2.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.837 -25.828 3.622 1.00 0.00 H new ATOM 20 N PRO A 2 0.244 -30.503 1.121 1.00 0.00 N ATOM 21 CA PRO A 2 -0.452 -31.234 0.058 1.00 0.00 C ATOM 22 C PRO A 2 -1.858 -30.698 -0.194 1.00 0.00 C ATOM 23 O PRO A 2 -2.388 -30.813 -1.299 1.00 0.00 O ATOM 24 CB PRO A 2 -0.515 -32.665 0.595 1.00 0.00 C ATOM 25 CG PRO A 2 -0.481 -32.513 2.075 1.00 0.00 C ATOM 26 CD PRO A 2 0.382 -31.311 2.349 1.00 0.00 C ATOM 0 HA PRO A 2 0.061 -31.144 -0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.424 -33.171 0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.326 -33.260 0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.485 -32.372 2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.070 -33.404 2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.043 -30.765 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.419 -31.594 2.529 1.00 0.00 H new ATOM 34 N PHE A 3 -2.457 -30.112 0.839 1.00 0.00 N ATOM 35 CA PHE A 3 -3.802 -29.557 0.731 1.00 0.00 C ATOM 36 C PHE A 3 -3.801 -28.273 -0.093 1.00 0.00 C ATOM 37 O PHE A 3 -4.789 -27.948 -0.753 1.00 0.00 O ATOM 38 CB PHE A 3 -4.379 -29.282 2.121 1.00 0.00 C ATOM 39 CG PHE A 3 -4.588 -30.520 2.947 1.00 0.00 C ATOM 40 CD1 PHE A 3 -3.550 -31.055 3.692 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.825 -31.145 2.981 1.00 0.00 C ATOM 42 CE1 PHE A 3 -3.741 -32.191 4.455 1.00 0.00 C ATOM 43 CE2 PHE A 3 -6.021 -32.281 3.744 1.00 0.00 C ATOM 44 CZ PHE A 3 -4.978 -32.805 4.482 1.00 0.00 C ATOM 0 H PHE A 3 -2.032 -30.009 1.760 1.00 0.00 H new ATOM 0 HA PHE A 3 -4.427 -30.292 0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -3.709 -28.609 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -5.332 -28.764 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.581 -30.579 3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.644 -30.740 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.923 -32.599 5.030 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -6.990 -32.759 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 3 -5.129 -33.692 5.079 1.00 0.00 H new ATOM 54 N HIS A 4 -2.689 -27.544 -0.046 1.00 0.00 N ATOM 55 CA HIS A 4 -2.559 -26.293 -0.786 1.00 0.00 C ATOM 56 C HIS A 4 -1.771 -26.505 -2.082 1.00 0.00 C ATOM 57 O HIS A 4 -0.552 -26.672 -2.049 1.00 0.00 O ATOM 58 CB HIS A 4 -1.861 -25.240 0.080 1.00 0.00 C ATOM 59 CG HIS A 4 -1.868 -23.868 -0.521 1.00 0.00 C ATOM 60 ND1 HIS A 4 -2.816 -22.916 -0.211 1.00 0.00 N ATOM 61 CD2 HIS A 4 -1.033 -23.287 -1.415 1.00 0.00 C ATOM 62 CE1 HIS A 4 -2.567 -21.811 -0.890 1.00 0.00 C ATOM 63 NE2 HIS A 4 -1.490 -22.009 -1.627 1.00 0.00 N ATOM 0 H HIS A 4 -1.864 -27.799 0.498 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.559 -25.943 -1.043 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.347 -25.203 1.055 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -0.829 -25.548 0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.169 -23.743 -1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.146 -20.900 -0.849 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.066 -21.324 -2.253 1.00 0.00 H new ATOM 72 N PRO A 5 -2.455 -26.502 -3.246 1.00 0.00 N ATOM 73 CA PRO A 5 -1.800 -26.697 -4.546 1.00 0.00 C ATOM 74 C PRO A 5 -0.800 -25.591 -4.865 1.00 0.00 C ATOM 75 O PRO A 5 -1.014 -24.429 -4.519 1.00 0.00 O ATOM 76 CB PRO A 5 -2.960 -26.673 -5.551 1.00 0.00 C ATOM 77 CG PRO A 5 -4.186 -26.914 -4.739 1.00 0.00 C ATOM 78 CD PRO A 5 -3.908 -26.313 -3.393 1.00 0.00 C ATOM 0 HA PRO A 5 -1.223 -27.621 -4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.013 -25.715 -6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.836 -27.441 -6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.058 -26.452 -5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.397 -27.980 -4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.185 -25.259 -3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.464 -26.817 -2.602 1.00 0.00 H new ATOM 86 N VAL A 6 0.290 -25.961 -5.529 1.00 0.00 N ATOM 87 CA VAL A 6 1.324 -25.002 -5.900 1.00 0.00 C ATOM 88 C VAL A 6 1.119 -24.498 -7.325 1.00 0.00 C ATOM 89 O VAL A 6 0.794 -25.272 -8.228 1.00 0.00 O ATOM 90 CB VAL A 6 2.732 -25.618 -5.777 1.00 0.00 C ATOM 91 CG1 VAL A 6 2.856 -26.853 -6.658 1.00 0.00 C ATOM 92 CG2 VAL A 6 3.801 -24.594 -6.129 1.00 0.00 C ATOM 0 H VAL A 6 0.480 -26.919 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 6 1.244 -24.164 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 6 2.882 -25.922 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.857 -27.273 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.119 -27.595 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.682 -26.577 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.787 -25.050 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.655 -24.253 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.729 -23.744 -5.450 1.00 0.00 H new ATOM 102 N THR A 7 1.305 -23.197 -7.521 1.00 0.00 N ATOM 103 CA THR A 7 1.142 -22.588 -8.835 1.00 0.00 C ATOM 104 C THR A 7 2.180 -21.494 -9.062 1.00 0.00 C ATOM 105 O THR A 7 2.670 -21.309 -10.176 1.00 0.00 O ATOM 106 CB THR A 7 -0.268 -21.988 -9.002 1.00 0.00 C ATOM 107 OG1 THR A 7 -1.258 -22.993 -8.759 1.00 0.00 O ATOM 108 CG2 THR A 7 -0.453 -21.417 -10.401 1.00 0.00 C ATOM 0 H THR A 7 1.569 -22.543 -6.784 1.00 0.00 H new ATOM 0 HA THR A 7 1.282 -23.377 -9.574 1.00 0.00 H new ATOM 0 HB THR A 7 -0.383 -21.180 -8.279 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.151 -22.605 -8.865 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.456 -21.000 -10.494 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.284 -20.633 -10.574 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.320 -22.209 -11.138 1.00 0.00 H new ATOM 116 N ALA A 8 2.510 -20.770 -7.995 1.00 0.00 N ATOM 117 CA ALA A 8 3.488 -19.694 -8.075 1.00 0.00 C ATOM 118 C ALA A 8 4.901 -20.249 -8.224 1.00 0.00 C ATOM 119 O ALA A 8 5.092 -21.457 -8.365 1.00 0.00 O ATOM 120 CB ALA A 8 3.396 -18.805 -6.844 1.00 0.00 C ATOM 0 H ALA A 8 2.113 -20.911 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 8 3.264 -19.096 -8.959 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.133 -18.005 -6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.397 -18.374 -6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.592 -19.399 -5.951 1.00 0.00 H new ATOM 126 N ALA A 9 5.885 -19.359 -8.191 1.00 0.00 N ATOM 127 CA ALA A 9 7.281 -19.758 -8.323 1.00 0.00 C ATOM 128 C ALA A 9 7.753 -20.530 -7.095 1.00 0.00 C ATOM 129 O ALA A 9 7.999 -21.734 -7.163 1.00 0.00 O ATOM 130 CB ALA A 9 8.157 -18.537 -8.549 1.00 0.00 C ATOM 0 H ALA A 9 5.742 -18.356 -8.074 1.00 0.00 H new ATOM 0 HA ALA A 9 7.364 -20.418 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.197 -18.848 -8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.844 -18.028 -9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.059 -17.857 -7.703 1.00 0.00 H new ATOM 136 N LEU A 10 7.874 -19.828 -5.972 1.00 0.00 N ATOM 137 CA LEU A 10 8.322 -20.444 -4.729 1.00 0.00 C ATOM 138 C LEU A 10 7.774 -19.701 -3.514 1.00 0.00 C ATOM 139 O LEU A 10 7.177 -18.632 -3.644 1.00 0.00 O ATOM 140 CB LEU A 10 9.854 -20.480 -4.681 1.00 0.00 C ATOM 141 CG LEU A 10 10.557 -19.233 -5.228 1.00 0.00 C ATOM 142 CD1 LEU A 10 10.344 -18.041 -4.308 1.00 0.00 C ATOM 143 CD2 LEU A 10 12.043 -19.502 -5.417 1.00 0.00 C ATOM 0 H LEU A 10 7.668 -18.832 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 10 7.939 -21.464 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.165 -20.628 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.198 -21.347 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 10 10.120 -18.994 -6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.853 -17.169 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.277 -17.832 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.749 -18.266 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.528 -18.607 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.489 -19.769 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.177 -20.323 -6.121 1.00 0.00 H new ATOM 155 N MET A 11 7.982 -20.277 -2.333 1.00 0.00 N ATOM 156 CA MET A 11 7.509 -19.674 -1.090 1.00 0.00 C ATOM 157 C MET A 11 8.544 -19.838 0.020 1.00 0.00 C ATOM 158 O MET A 11 8.199 -19.893 1.200 1.00 0.00 O ATOM 159 CB MET A 11 6.184 -20.309 -0.661 1.00 0.00 C ATOM 160 CG MET A 11 5.059 -20.116 -1.666 1.00 0.00 C ATOM 161 SD MET A 11 4.650 -18.380 -1.931 1.00 0.00 S ATOM 162 CE MET A 11 3.370 -18.520 -3.177 1.00 0.00 C ATOM 0 H MET A 11 8.475 -21.161 -2.210 1.00 0.00 H new ATOM 0 HA MET A 11 7.354 -18.610 -1.268 1.00 0.00 H new ATOM 0 HB2 MET A 11 6.338 -21.376 -0.502 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.881 -19.884 0.296 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.346 -20.566 -2.616 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.172 -20.645 -1.317 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.536 -17.774 -3.955 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.399 -19.516 -3.618 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.395 -18.354 -2.718 1.00 0.00 H new ATOM 172 N TYR A 12 9.813 -19.916 -0.368 1.00 0.00 N ATOM 173 CA TYR A 12 10.899 -20.076 0.592 1.00 0.00 C ATOM 174 C TYR A 12 11.163 -18.772 1.337 1.00 0.00 C ATOM 175 O TYR A 12 11.312 -18.766 2.560 1.00 0.00 O ATOM 176 CB TYR A 12 12.176 -20.534 -0.116 1.00 0.00 C ATOM 177 CG TYR A 12 12.033 -21.855 -0.835 1.00 0.00 C ATOM 178 CD1 TYR A 12 11.973 -23.050 -0.129 1.00 0.00 C ATOM 179 CD2 TYR A 12 11.961 -21.908 -2.221 1.00 0.00 C ATOM 180 CE1 TYR A 12 11.845 -24.259 -0.784 1.00 0.00 C ATOM 181 CE2 TYR A 12 11.833 -23.114 -2.884 1.00 0.00 C ATOM 182 CZ TYR A 12 11.776 -24.287 -2.161 1.00 0.00 C ATOM 183 OH TYR A 12 11.649 -25.490 -2.815 1.00 0.00 O ATOM 0 H TYR A 12 10.114 -19.871 -1.341 1.00 0.00 H new ATOM 0 HA TYR A 12 10.599 -20.836 1.314 1.00 0.00 H new ATOM 0 HB2 TYR A 12 12.476 -19.771 -0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 12 12.978 -20.615 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 12 12.027 -23.033 0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 12 12.006 -20.991 -2.790 1.00 0.00 H new ATOM 0 HE1 TYR A 12 11.799 -25.179 -0.220 1.00 0.00 H new ATOM 0 HE2 TYR A 12 11.778 -23.138 -3.962 1.00 0.00 H new ATOM 0 HH TYR A 12 11.613 -25.335 -3.782 1.00 0.00 H new ATOM 193 N ARG A 13 11.220 -17.671 0.594 1.00 0.00 N ATOM 194 CA ARG A 13 11.469 -16.358 1.182 1.00 0.00 C ATOM 195 C ARG A 13 12.785 -16.347 1.954 1.00 0.00 C ATOM 196 O ARG A 13 12.812 -16.609 3.158 1.00 0.00 O ATOM 197 CB ARG A 13 10.315 -15.959 2.105 1.00 0.00 C ATOM 198 CG ARG A 13 8.991 -15.769 1.381 1.00 0.00 C ATOM 199 CD ARG A 13 9.054 -14.613 0.395 1.00 0.00 C ATOM 200 NE ARG A 13 9.418 -13.358 1.045 1.00 0.00 N ATOM 201 CZ ARG A 13 9.949 -12.321 0.404 1.00 0.00 C ATOM 202 NH1 ARG A 13 10.180 -12.391 -0.901 1.00 0.00 N ATOM 203 NH2 ARG A 13 10.253 -11.214 1.067 1.00 0.00 N ATOM 0 H ARG A 13 11.097 -17.662 -0.419 1.00 0.00 H new ATOM 0 HA ARG A 13 11.540 -15.633 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.193 -16.724 2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.575 -15.033 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.730 -16.686 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.201 -15.585 2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.780 -14.841 -0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.086 -14.501 -0.094 1.00 0.00 H new ATOM 0 HE ARG A 13 9.256 -13.271 2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.950 -13.242 -1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.587 -11.594 -1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.080 -11.157 2.071 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.660 -10.420 0.574 1.00 0.00 H new ATOM 217 N GLY A 14 13.873 -16.042 1.253 1.00 0.00 N ATOM 218 CA GLY A 14 15.179 -16.002 1.887 1.00 0.00 C ATOM 219 C GLY A 14 16.242 -15.399 0.989 1.00 0.00 C ATOM 220 O GLY A 14 16.866 -14.398 1.341 1.00 0.00 O ATOM 0 H GLY A 14 13.874 -15.822 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.115 -15.423 2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.475 -17.013 2.166 1.00 0.00 H new ATOM 224 N ILE A 15 16.449 -16.011 -0.172 1.00 0.00 N ATOM 225 CA ILE A 15 17.443 -15.530 -1.125 1.00 0.00 C ATOM 226 C ILE A 15 16.849 -14.458 -2.035 1.00 0.00 C ATOM 227 O ILE A 15 15.650 -14.469 -2.317 1.00 0.00 O ATOM 228 CB ILE A 15 17.998 -16.685 -1.986 1.00 0.00 C ATOM 229 CG1 ILE A 15 19.096 -16.182 -2.929 1.00 0.00 C ATOM 230 CG2 ILE A 15 16.879 -17.346 -2.778 1.00 0.00 C ATOM 231 CD1 ILE A 15 20.332 -15.684 -2.212 1.00 0.00 C ATOM 0 H ILE A 15 15.941 -16.842 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 15 18.261 -15.098 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 15 18.435 -17.427 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 15 19.379 -16.988 -3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 15 18.694 -15.377 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.289 -18.158 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 15 16.133 -17.745 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.413 -16.610 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 15 21.065 -15.344 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 15 20.063 -14.856 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 15 20.759 -16.493 -1.619 1.00 0.00 H new ATOM 243 N TYR A 16 17.691 -13.530 -2.485 1.00 0.00 N ATOM 244 CA TYR A 16 17.246 -12.451 -3.360 1.00 0.00 C ATOM 245 C TYR A 16 16.510 -13.003 -4.578 1.00 0.00 C ATOM 246 O TYR A 16 15.284 -13.118 -4.568 1.00 0.00 O ATOM 247 CB TYR A 16 18.438 -11.599 -3.804 1.00 0.00 C ATOM 248 CG TYR A 16 19.233 -11.024 -2.652 1.00 0.00 C ATOM 249 CD1 TYR A 16 18.911 -9.786 -2.109 1.00 0.00 C ATOM 250 CD2 TYR A 16 20.304 -11.721 -2.106 1.00 0.00 C ATOM 251 CE1 TYR A 16 19.635 -9.259 -1.056 1.00 0.00 C ATOM 252 CE2 TYR A 16 21.032 -11.201 -1.053 1.00 0.00 C ATOM 253 CZ TYR A 16 20.693 -9.970 -0.532 1.00 0.00 C ATOM 254 OH TYR A 16 21.416 -9.449 0.517 1.00 0.00 O ATOM 0 H TYR A 16 18.685 -13.505 -2.257 1.00 0.00 H new ATOM 0 HA TYR A 16 16.554 -11.824 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 16 19.098 -12.207 -4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 16 18.077 -10.782 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 16 18.082 -9.227 -2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 16 20.572 -12.685 -2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 16 19.373 -8.295 -0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 16 21.862 -11.755 -0.640 1.00 0.00 H new ATOM 0 HH TYR A 16 22.126 -10.076 0.768 1.00 0.00 H new ATOM 264 N THR A 17 17.269 -13.350 -5.619 1.00 0.00 N ATOM 265 CA THR A 17 16.693 -13.892 -6.846 1.00 0.00 C ATOM 266 C THR A 17 15.446 -13.116 -7.264 1.00 0.00 C ATOM 267 O THR A 17 14.322 -13.571 -7.048 1.00 0.00 O ATOM 268 CB THR A 17 16.335 -15.382 -6.689 1.00 0.00 C ATOM 269 OG1 THR A 17 17.462 -16.107 -6.183 1.00 0.00 O ATOM 270 CG2 THR A 17 15.904 -15.980 -8.021 1.00 0.00 C ATOM 0 H THR A 17 18.285 -13.264 -5.634 1.00 0.00 H new ATOM 0 HA THR A 17 17.452 -13.790 -7.622 1.00 0.00 H new ATOM 0 HB THR A 17 15.505 -15.459 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 17 17.225 -17.053 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.656 -17.033 -7.884 1.00 0.00 H new ATOM 0 HG22 THR A 17 15.029 -15.447 -8.393 1.00 0.00 H new ATOM 0 HG23 THR A 17 16.717 -15.889 -8.741 1.00 0.00 H new ATOM 278 N VAL A 18 15.657 -11.944 -7.857 1.00 0.00 N ATOM 279 CA VAL A 18 14.556 -11.096 -8.306 1.00 0.00 C ATOM 280 C VAL A 18 13.521 -11.896 -9.101 1.00 0.00 C ATOM 281 O VAL A 18 13.771 -12.282 -10.243 1.00 0.00 O ATOM 282 CB VAL A 18 15.075 -9.930 -9.168 1.00 0.00 C ATOM 283 CG1 VAL A 18 15.671 -8.843 -8.286 1.00 0.00 C ATOM 284 CG2 VAL A 18 16.105 -10.424 -10.174 1.00 0.00 C ATOM 0 H VAL A 18 16.584 -11.559 -8.038 1.00 0.00 H new ATOM 0 HA VAL A 18 14.076 -10.695 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 18 14.234 -9.508 -9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 18 16.033 -8.026 -8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.907 -8.468 -7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 18 16.500 -9.255 -7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 18 16.459 -9.585 -10.773 1.00 0.00 H new ATOM 0 HG22 VAL A 18 16.945 -10.872 -9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 18 15.649 -11.169 -10.826 1.00 0.00 H new ATOM 294 N PRO A 19 12.339 -12.159 -8.505 1.00 0.00 N ATOM 295 CA PRO A 19 11.278 -12.918 -9.163 1.00 0.00 C ATOM 296 C PRO A 19 10.398 -12.050 -10.060 1.00 0.00 C ATOM 297 O PRO A 19 10.219 -12.351 -11.241 1.00 0.00 O ATOM 298 CB PRO A 19 10.477 -13.464 -7.984 1.00 0.00 C ATOM 299 CG PRO A 19 10.626 -12.439 -6.909 1.00 0.00 C ATOM 300 CD PRO A 19 11.947 -11.743 -7.143 1.00 0.00 C ATOM 0 HA PRO A 19 11.672 -13.685 -9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.430 -13.607 -8.251 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.859 -14.433 -7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.803 -11.725 -6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.605 -12.907 -5.925 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.845 -10.660 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.691 -12.043 -6.405 1.00 0.00 H new ATOM 308 N ASN A 20 9.853 -10.976 -9.497 1.00 0.00 N ATOM 309 CA ASN A 20 8.991 -10.073 -10.255 1.00 0.00 C ATOM 310 C ASN A 20 9.473 -8.630 -10.145 1.00 0.00 C ATOM 311 O ASN A 20 9.113 -7.914 -9.209 1.00 0.00 O ATOM 312 CB ASN A 20 7.547 -10.179 -9.761 1.00 0.00 C ATOM 313 CG ASN A 20 6.971 -11.569 -9.944 1.00 0.00 C ATOM 314 OD1 ASN A 20 7.345 -12.292 -10.868 1.00 0.00 O ATOM 315 ND2 ASN A 20 6.055 -11.950 -9.063 1.00 0.00 N ATOM 0 H ASN A 20 9.992 -10.710 -8.522 1.00 0.00 H new ATOM 0 HA ASN A 20 9.034 -10.369 -11.303 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.507 -9.909 -8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.929 -9.460 -10.298 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.631 -12.875 -9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.775 -11.318 -8.313 1.00 0.00 H new ATOM 322 N LEU A 21 10.288 -8.210 -11.107 1.00 0.00 N ATOM 323 CA LEU A 21 10.817 -6.851 -11.123 1.00 0.00 C ATOM 324 C LEU A 21 10.231 -6.053 -12.285 1.00 0.00 C ATOM 325 O LEU A 21 10.893 -5.185 -12.855 1.00 0.00 O ATOM 326 CB LEU A 21 12.346 -6.879 -11.217 1.00 0.00 C ATOM 327 CG LEU A 21 13.086 -6.416 -9.958 1.00 0.00 C ATOM 328 CD1 LEU A 21 12.817 -4.943 -9.692 1.00 0.00 C ATOM 329 CD2 LEU A 21 12.681 -7.257 -8.755 1.00 0.00 C ATOM 0 H LEU A 21 10.597 -8.792 -11.886 1.00 0.00 H new ATOM 0 HA LEU A 21 10.529 -6.361 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.661 -7.896 -11.451 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.654 -6.250 -12.052 1.00 0.00 H new ATOM 0 HG LEU A 21 14.155 -6.548 -10.123 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.351 -4.632 -8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.160 -4.351 -10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.747 -4.788 -9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.218 -6.911 -7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.608 -7.160 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.926 -8.302 -8.943 1.00 0.00 H new ATOM 341 N LEU A 22 8.979 -6.352 -12.626 1.00 0.00 N ATOM 342 CA LEU A 22 8.299 -5.664 -13.720 1.00 0.00 C ATOM 343 C LEU A 22 7.409 -4.545 -13.187 1.00 0.00 C ATOM 344 O LEU A 22 7.146 -3.563 -13.882 1.00 0.00 O ATOM 345 CB LEU A 22 7.459 -6.649 -14.542 1.00 0.00 C ATOM 346 CG LEU A 22 6.259 -7.262 -13.815 1.00 0.00 C ATOM 347 CD1 LEU A 22 5.229 -7.760 -14.817 1.00 0.00 C ATOM 348 CD2 LEU A 22 6.702 -8.400 -12.906 1.00 0.00 C ATOM 0 H LEU A 22 8.416 -7.065 -12.161 1.00 0.00 H new ATOM 0 HA LEU A 22 9.062 -5.228 -14.365 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.098 -6.135 -15.433 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.107 -7.457 -14.881 1.00 0.00 H new ATOM 0 HG LEU A 22 5.803 -6.487 -13.199 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.382 -8.193 -14.284 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.885 -6.927 -15.429 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.681 -8.518 -15.457 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.833 -8.821 -12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.185 -9.175 -13.502 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.406 -8.021 -12.165 1.00 0.00 H new ATOM 360 N SER A 23 6.949 -4.701 -11.949 1.00 0.00 N ATOM 361 CA SER A 23 6.088 -3.705 -11.322 1.00 0.00 C ATOM 362 C SER A 23 6.871 -2.867 -10.317 1.00 0.00 C ATOM 363 O SER A 23 6.552 -1.702 -10.082 1.00 0.00 O ATOM 364 CB SER A 23 4.909 -4.386 -10.625 1.00 0.00 C ATOM 365 OG SER A 23 5.358 -5.291 -9.630 1.00 0.00 O ATOM 0 H SER A 23 7.158 -5.508 -11.361 1.00 0.00 H new ATOM 0 HA SER A 23 5.708 -3.045 -12.102 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.266 -3.632 -10.172 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.306 -4.919 -11.360 1.00 0.00 H new ATOM 0 HG SER A 23 4.586 -5.712 -9.198 1.00 0.00 H new ATOM 371 N GLU A 24 7.899 -3.471 -9.728 1.00 0.00 N ATOM 372 CA GLU A 24 8.730 -2.784 -8.747 1.00 0.00 C ATOM 373 C GLU A 24 10.053 -2.338 -9.364 1.00 0.00 C ATOM 374 O GLU A 24 11.061 -2.213 -8.669 1.00 0.00 O ATOM 375 CB GLU A 24 8.991 -3.694 -7.545 1.00 0.00 C ATOM 376 CG GLU A 24 7.739 -4.023 -6.747 1.00 0.00 C ATOM 377 CD GLU A 24 8.022 -4.930 -5.567 1.00 0.00 C ATOM 378 OE1 GLU A 24 8.391 -4.410 -4.493 1.00 0.00 O ATOM 379 OE2 GLU A 24 7.873 -6.161 -5.716 1.00 0.00 O ATOM 0 H GLU A 24 8.176 -4.435 -9.914 1.00 0.00 H new ATOM 0 HA GLU A 24 8.194 -1.896 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.444 -4.622 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.715 -3.214 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.287 -3.098 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.011 -4.501 -7.402 1.00 0.00 H new ATOM 386 N GLN A 25 10.042 -2.099 -10.673 1.00 0.00 N ATOM 387 CA GLN A 25 11.242 -1.665 -11.381 1.00 0.00 C ATOM 388 C GLN A 25 11.671 -0.279 -10.919 1.00 0.00 C ATOM 389 O GLN A 25 12.827 0.115 -11.076 1.00 0.00 O ATOM 390 CB GLN A 25 10.995 -1.659 -12.893 1.00 0.00 C ATOM 391 CG GLN A 25 12.157 -1.102 -13.700 1.00 0.00 C ATOM 392 CD GLN A 25 13.421 -1.930 -13.556 1.00 0.00 C ATOM 393 OE1 GLN A 25 13.259 -3.235 -13.363 1.00 0.00 O flip ATOM 394 NE2 GLN A 25 14.531 -1.403 -13.624 1.00 0.00 N flip ATOM 0 H GLN A 25 9.216 -2.199 -11.264 1.00 0.00 H new ATOM 0 HA GLN A 25 12.043 -2.369 -11.155 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.790 -2.678 -13.223 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.102 -1.070 -13.104 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.875 -1.057 -14.752 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.359 -0.080 -13.380 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.610 -0.397 -13.773 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.372 -1.972 -13.531 1.00 0.00 H new ATOM 403 N ARG A 26 10.729 0.448 -10.341 1.00 0.00 N ATOM 404 CA ARG A 26 10.989 1.797 -9.855 1.00 0.00 C ATOM 405 C ARG A 26 11.536 1.767 -8.427 1.00 0.00 C ATOM 406 O ARG A 26 11.285 0.819 -7.682 1.00 0.00 O ATOM 407 CB ARG A 26 9.706 2.625 -9.908 1.00 0.00 C ATOM 408 CG ARG A 26 9.080 2.681 -11.291 1.00 0.00 C ATOM 409 CD ARG A 26 7.755 3.425 -11.273 1.00 0.00 C ATOM 410 NE ARG A 26 7.121 3.443 -12.587 1.00 0.00 N ATOM 411 CZ ARG A 26 5.840 3.741 -12.785 1.00 0.00 C ATOM 412 NH1 ARG A 26 5.060 4.044 -11.756 1.00 0.00 N ATOM 413 NH2 ARG A 26 5.338 3.734 -14.012 1.00 0.00 N ATOM 0 H ARG A 26 9.772 0.126 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 26 11.740 2.256 -10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.984 2.207 -9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.923 3.640 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.765 3.172 -11.982 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.925 1.668 -11.663 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.085 2.955 -10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.918 4.448 -10.935 1.00 0.00 H new ATOM 0 HE ARG A 26 7.693 3.214 -13.400 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.442 4.049 -10.810 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.078 4.272 -11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.934 3.500 -14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.355 3.963 -14.162 1.00 0.00 H new ATOM 427 N PRO A 27 12.295 2.806 -8.029 1.00 0.00 N ATOM 428 CA PRO A 27 12.877 2.890 -6.687 1.00 0.00 C ATOM 429 C PRO A 27 11.875 3.384 -5.646 1.00 0.00 C ATOM 430 O PRO A 27 12.243 4.078 -4.697 1.00 0.00 O ATOM 431 CB PRO A 27 14.000 3.907 -6.872 1.00 0.00 C ATOM 432 CG PRO A 27 13.496 4.824 -7.933 1.00 0.00 C ATOM 433 CD PRO A 27 12.649 3.980 -8.854 1.00 0.00 C ATOM 0 HA PRO A 27 13.208 1.919 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.206 4.445 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.929 3.423 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 27 12.910 5.635 -7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.323 5.282 -8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.761 4.518 -9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 27 13.199 3.689 -9.749 1.00 0.00 H new ATOM 441 N VAL A 28 10.609 3.022 -5.831 1.00 0.00 N ATOM 442 CA VAL A 28 9.553 3.429 -4.914 1.00 0.00 C ATOM 443 C VAL A 28 8.885 2.218 -4.278 1.00 0.00 C ATOM 444 O VAL A 28 8.549 1.256 -4.969 1.00 0.00 O ATOM 445 CB VAL A 28 8.474 4.245 -5.641 1.00 0.00 C ATOM 446 CG1 VAL A 28 7.573 4.951 -4.643 1.00 0.00 C ATOM 447 CG2 VAL A 28 9.106 5.238 -6.605 1.00 0.00 C ATOM 0 H VAL A 28 10.290 2.446 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 28 10.022 4.041 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 28 7.859 3.558 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.815 5.524 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.087 4.212 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.169 5.625 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.323 5.805 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.751 5.922 -6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.698 4.700 -7.345 1.00 0.00 H new ATOM 457 N ASP A 29 8.685 2.276 -2.964 1.00 0.00 N ATOM 458 CA ASP A 29 8.050 1.180 -2.240 1.00 0.00 C ATOM 459 C ASP A 29 7.923 1.505 -0.756 1.00 0.00 C ATOM 460 O ASP A 29 8.858 2.014 -0.138 1.00 0.00 O ATOM 461 CB ASP A 29 8.844 -0.113 -2.429 1.00 0.00 C ATOM 462 CG ASP A 29 10.196 -0.069 -1.744 1.00 0.00 C ATOM 463 OD1 ASP A 29 11.168 0.391 -2.380 1.00 0.00 O ATOM 464 OD2 ASP A 29 10.282 -0.493 -0.573 1.00 0.00 O ATOM 0 H ASP A 29 8.953 3.069 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 29 7.048 1.043 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.268 -0.950 -2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.986 -0.296 -3.494 1.00 0.00 H new ATOM 469 N ILE A 30 6.757 1.205 -0.194 1.00 0.00 N ATOM 470 CA ILE A 30 6.496 1.463 1.216 1.00 0.00 C ATOM 471 C ILE A 30 6.811 0.226 2.064 1.00 0.00 C ATOM 472 O ILE A 30 6.258 -0.848 1.828 1.00 0.00 O ATOM 473 CB ILE A 30 5.025 1.889 1.445 1.00 0.00 C ATOM 474 CG1 ILE A 30 4.806 3.336 0.989 1.00 0.00 C ATOM 475 CG2 ILE A 30 4.633 1.736 2.908 1.00 0.00 C ATOM 476 CD1 ILE A 30 5.120 3.576 -0.472 1.00 0.00 C ATOM 0 H ILE A 30 5.976 0.782 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 30 7.148 2.281 1.523 1.00 0.00 H new ATOM 0 HB ILE A 30 4.390 1.233 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.768 3.612 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.426 3.995 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.595 2.042 3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.745 0.694 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.278 2.362 3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.940 4.623 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.165 3.333 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.482 2.945 -1.090 1.00 0.00 H new ATOM 488 N PRO A 31 7.706 0.362 3.063 1.00 0.00 N ATOM 489 CA PRO A 31 8.084 -0.754 3.936 1.00 0.00 C ATOM 490 C PRO A 31 6.937 -1.188 4.842 1.00 0.00 C ATOM 491 O PRO A 31 6.079 -0.377 5.192 1.00 0.00 O ATOM 492 CB PRO A 31 9.244 -0.195 4.762 1.00 0.00 C ATOM 493 CG PRO A 31 9.046 1.280 4.749 1.00 0.00 C ATOM 494 CD PRO A 31 8.412 1.606 3.423 1.00 0.00 C ATOM 0 HA PRO A 31 8.350 -1.644 3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.230 -0.587 5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.206 -0.469 4.328 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.407 1.594 5.574 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.996 1.802 4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.725 2.448 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.159 1.874 2.676 1.00 0.00 H new ATOM 502 N GLU A 32 6.927 -2.469 5.202 1.00 0.00 N ATOM 503 CA GLU A 32 5.880 -3.037 6.054 1.00 0.00 C ATOM 504 C GLU A 32 5.394 -2.047 7.112 1.00 0.00 C ATOM 505 O GLU A 32 4.189 -1.886 7.308 1.00 0.00 O ATOM 506 CB GLU A 32 6.385 -4.310 6.733 1.00 0.00 C ATOM 507 CG GLU A 32 5.334 -4.999 7.589 1.00 0.00 C ATOM 508 CD GLU A 32 5.841 -6.283 8.215 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.704 -7.348 7.576 1.00 0.00 O ATOM 510 OE2 GLU A 32 6.373 -6.225 9.343 1.00 0.00 O ATOM 0 H GLU A 32 7.639 -3.141 4.915 1.00 0.00 H new ATOM 0 HA GLU A 32 5.034 -3.273 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.733 -5.006 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.245 -4.063 7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.009 -4.319 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.459 -5.218 6.977 1.00 0.00 H new ATOM 517 N ASP A 33 6.333 -1.385 7.787 1.00 0.00 N ATOM 518 CA ASP A 33 5.998 -0.416 8.829 1.00 0.00 C ATOM 519 C ASP A 33 4.882 0.527 8.384 1.00 0.00 C ATOM 520 O ASP A 33 3.768 0.469 8.907 1.00 0.00 O ATOM 521 CB ASP A 33 7.238 0.396 9.210 1.00 0.00 C ATOM 522 CG ASP A 33 8.368 -0.477 9.718 1.00 0.00 C ATOM 523 OD1 ASP A 33 8.413 -0.742 10.938 1.00 0.00 O ATOM 524 OD2 ASP A 33 9.209 -0.897 8.895 1.00 0.00 O ATOM 0 H ASP A 33 7.334 -1.503 7.630 1.00 0.00 H new ATOM 0 HA ASP A 33 5.643 -0.973 9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.580 0.960 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.971 1.123 9.977 1.00 0.00 H new ATOM 529 N GLU A 34 5.182 1.393 7.423 1.00 0.00 N ATOM 530 CA GLU A 34 4.193 2.346 6.921 1.00 0.00 C ATOM 531 C GLU A 34 3.087 1.633 6.154 1.00 0.00 C ATOM 532 O GLU A 34 2.004 2.184 5.956 1.00 0.00 O ATOM 533 CB GLU A 34 4.843 3.405 6.023 1.00 0.00 C ATOM 534 CG GLU A 34 6.294 3.120 5.680 1.00 0.00 C ATOM 535 CD GLU A 34 6.961 4.280 4.966 1.00 0.00 C ATOM 536 OE1 GLU A 34 6.781 4.402 3.736 1.00 0.00 O ATOM 537 OE2 GLU A 34 7.663 5.066 5.637 1.00 0.00 O ATOM 0 H GLU A 34 6.097 1.457 6.976 1.00 0.00 H new ATOM 0 HA GLU A 34 3.758 2.844 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.271 3.483 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.781 4.374 6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.843 2.897 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.347 2.231 5.051 1.00 0.00 H new ATOM 544 N LEU A 35 3.364 0.408 5.720 1.00 0.00 N ATOM 545 CA LEU A 35 2.383 -0.368 4.975 1.00 0.00 C ATOM 546 C LEU A 35 1.207 -0.748 5.868 1.00 0.00 C ATOM 547 O LEU A 35 0.063 -0.799 5.415 1.00 0.00 O ATOM 548 CB LEU A 35 3.019 -1.630 4.392 1.00 0.00 C ATOM 549 CG LEU A 35 2.131 -2.403 3.414 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.157 -1.751 2.040 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.570 -3.856 3.327 1.00 0.00 C ATOM 0 H LEU A 35 4.255 -0.066 5.871 1.00 0.00 H new ATOM 0 HA LEU A 35 2.019 0.252 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.941 -1.353 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.295 -2.293 5.212 1.00 0.00 H new ATOM 0 HG LEU A 35 1.107 -2.378 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.520 -2.314 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.791 -0.727 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.179 -1.744 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.927 -4.389 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.602 -3.904 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.496 -4.318 4.312 1.00 0.00 H new ATOM 563 N GLU A 36 1.497 -1.016 7.139 1.00 0.00 N ATOM 564 CA GLU A 36 0.464 -1.388 8.100 1.00 0.00 C ATOM 565 C GLU A 36 -0.613 -0.312 8.177 1.00 0.00 C ATOM 566 O GLU A 36 -1.782 -0.607 8.422 1.00 0.00 O ATOM 567 CB GLU A 36 1.074 -1.614 9.485 1.00 0.00 C ATOM 568 CG GLU A 36 2.022 -2.801 9.548 1.00 0.00 C ATOM 569 CD GLU A 36 2.557 -3.047 10.946 1.00 0.00 C ATOM 570 OE1 GLU A 36 3.564 -2.406 11.318 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.972 -3.882 11.668 1.00 0.00 O ATOM 0 H GLU A 36 2.440 -0.982 7.527 1.00 0.00 H new ATOM 0 HA GLU A 36 0.007 -2.317 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.611 -0.715 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.271 -1.763 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.504 -3.694 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.857 -2.631 8.868 1.00 0.00 H new ATOM 578 N GLU A 37 -0.207 0.937 7.967 1.00 0.00 N ATOM 579 CA GLU A 37 -1.136 2.061 8.004 1.00 0.00 C ATOM 580 C GLU A 37 -2.216 1.891 6.942 1.00 0.00 C ATOM 581 O GLU A 37 -3.375 2.246 7.155 1.00 0.00 O ATOM 582 CB GLU A 37 -0.385 3.375 7.783 1.00 0.00 C ATOM 583 CG GLU A 37 0.785 3.574 8.732 1.00 0.00 C ATOM 584 CD GLU A 37 1.506 4.887 8.504 1.00 0.00 C ATOM 585 OE1 GLU A 37 2.450 4.912 7.685 1.00 0.00 O ATOM 586 OE2 GLU A 37 1.126 5.892 9.141 1.00 0.00 O ATOM 0 H GLU A 37 0.760 1.196 7.769 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.611 2.087 8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.019 3.406 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.081 4.206 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.424 3.536 9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.490 2.751 8.611 1.00 0.00 H new ATOM 593 N ILE A 38 -1.821 1.341 5.799 1.00 0.00 N ATOM 594 CA ILE A 38 -2.743 1.113 4.694 1.00 0.00 C ATOM 595 C ILE A 38 -3.798 0.079 5.069 1.00 0.00 C ATOM 596 O ILE A 38 -4.998 0.322 4.934 1.00 0.00 O ATOM 597 CB ILE A 38 -1.993 0.633 3.435 1.00 0.00 C ATOM 598 CG1 ILE A 38 -0.964 1.682 3.005 1.00 0.00 C ATOM 599 CG2 ILE A 38 -2.974 0.343 2.308 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.090 1.238 1.852 1.00 0.00 C ATOM 0 H ILE A 38 -0.863 1.044 5.614 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.230 2.064 4.479 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.466 -0.292 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.486 2.596 2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.330 1.927 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.427 0.005 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.670 -0.434 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.528 1.250 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.614 2.032 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.460 0.341 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.714 1.021 0.985 1.00 0.00 H new ATOM 612 N ARG A 39 -3.338 -1.074 5.539 1.00 0.00 N ATOM 613 CA ARG A 39 -4.232 -2.155 5.932 1.00 0.00 C ATOM 614 C ARG A 39 -5.181 -1.714 7.039 1.00 0.00 C ATOM 615 O ARG A 39 -6.379 -1.604 6.819 1.00 0.00 O ATOM 616 CB ARG A 39 -3.421 -3.367 6.391 1.00 0.00 C ATOM 617 CG ARG A 39 -2.481 -3.899 5.323 1.00 0.00 C ATOM 618 CD ARG A 39 -1.051 -3.981 5.831 1.00 0.00 C ATOM 619 NE ARG A 39 -0.910 -4.951 6.915 1.00 0.00 N ATOM 620 CZ ARG A 39 0.258 -5.293 7.450 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.381 -4.745 7.005 1.00 0.00 N ATOM 622 NH2 ARG A 39 0.305 -6.184 8.431 1.00 0.00 N ATOM 0 H ARG A 39 -2.347 -1.284 5.657 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.830 -2.429 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.841 -3.095 7.273 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.105 -4.161 6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.812 -4.887 5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.521 -3.252 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.390 -4.257 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.733 -2.998 6.180 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.755 -5.390 7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.350 -4.059 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.276 -5.009 7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.556 -6.608 8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.202 -6.445 8.840 1.00 0.00 H new ATOM 636 N GLU A 40 -4.632 -1.432 8.216 1.00 0.00 N ATOM 637 CA GLU A 40 -5.437 -1.019 9.367 1.00 0.00 C ATOM 638 C GLU A 40 -6.584 -0.089 8.966 1.00 0.00 C ATOM 639 O GLU A 40 -7.634 -0.086 9.603 1.00 0.00 O ATOM 640 CB GLU A 40 -4.553 -0.329 10.409 1.00 0.00 C ATOM 641 CG GLU A 40 -3.492 -1.239 11.008 1.00 0.00 C ATOM 642 CD GLU A 40 -4.087 -2.427 11.741 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.334 -3.464 11.089 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.302 -2.320 12.966 1.00 0.00 O ATOM 0 H GLU A 40 -3.630 -1.481 8.401 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.876 -1.921 9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.065 0.529 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.184 0.056 11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.837 -1.598 10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.873 -0.664 11.697 1.00 0.00 H new ATOM 651 N ALA A 41 -6.390 0.685 7.904 1.00 0.00 N ATOM 652 CA ALA A 41 -7.413 1.618 7.440 1.00 0.00 C ATOM 653 C ALA A 41 -8.630 0.906 6.834 1.00 0.00 C ATOM 654 O ALA A 41 -9.643 0.694 7.506 1.00 0.00 O ATOM 655 CB ALA A 41 -6.814 2.587 6.431 1.00 0.00 C ATOM 0 H ALA A 41 -5.535 0.686 7.348 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.768 2.167 8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.584 3.279 6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.005 3.147 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.424 2.030 5.579 1.00 0.00 H new ATOM 661 N PHE A 42 -8.524 0.528 5.564 1.00 0.00 N ATOM 662 CA PHE A 42 -9.629 -0.120 4.862 1.00 0.00 C ATOM 663 C PHE A 42 -9.861 -1.556 5.328 1.00 0.00 C ATOM 664 O PHE A 42 -10.967 -2.081 5.203 1.00 0.00 O ATOM 665 CB PHE A 42 -9.372 -0.088 3.354 1.00 0.00 C ATOM 666 CG PHE A 42 -9.881 1.159 2.685 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.542 2.414 3.168 1.00 0.00 C ATOM 668 CD2 PHE A 42 -10.702 1.074 1.572 1.00 0.00 C ATOM 669 CE1 PHE A 42 -10.016 3.559 2.554 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.175 2.216 0.954 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.833 3.459 1.446 1.00 0.00 C ATOM 0 H PHE A 42 -7.685 0.659 4.999 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.535 0.438 5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.301 -0.176 3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.845 -0.956 2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.901 2.498 4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.975 0.104 1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.747 4.531 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.812 2.136 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.204 4.352 0.965 1.00 0.00 H new ATOM 681 N LYS A 43 -8.828 -2.186 5.869 1.00 0.00 N ATOM 682 CA LYS A 43 -8.938 -3.565 6.335 1.00 0.00 C ATOM 683 C LYS A 43 -9.905 -3.686 7.510 1.00 0.00 C ATOM 684 O LYS A 43 -10.670 -4.648 7.586 1.00 0.00 O ATOM 685 CB LYS A 43 -7.564 -4.120 6.720 1.00 0.00 C ATOM 686 CG LYS A 43 -7.365 -5.581 6.348 1.00 0.00 C ATOM 687 CD LYS A 43 -7.502 -5.807 4.846 1.00 0.00 C ATOM 688 CE LYS A 43 -6.498 -4.981 4.053 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.693 -5.134 2.585 1.00 0.00 N ATOM 0 H LYS A 43 -7.906 -1.768 5.997 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.337 -4.156 5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.792 -3.523 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.425 -4.007 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.379 -5.908 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.096 -6.193 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.358 -6.864 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.513 -5.549 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.596 -3.930 4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.486 -5.286 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.769 -5.120 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.169 -6.038 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.278 -4.351 2.229 1.00 0.00 H new ATOM 703 N VAL A 44 -9.877 -2.723 8.433 1.00 0.00 N ATOM 704 CA VAL A 44 -10.780 -2.774 9.580 1.00 0.00 C ATOM 705 C VAL A 44 -12.224 -2.564 9.142 1.00 0.00 C ATOM 706 O VAL A 44 -13.141 -3.150 9.717 1.00 0.00 O ATOM 707 CB VAL A 44 -10.424 -1.746 10.672 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.043 -2.029 11.244 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.513 -0.328 10.135 1.00 0.00 C ATOM 0 H VAL A 44 -9.253 -1.916 8.410 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.663 -3.768 10.011 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.151 -1.841 11.479 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.810 -1.293 12.013 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.028 -3.027 11.681 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.300 -1.970 10.448 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.257 0.377 10.926 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.818 -0.209 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.528 -0.133 9.789 1.00 0.00 H new ATOM 719 N PHE A 45 -12.431 -1.725 8.123 1.00 0.00 N ATOM 720 CA PHE A 45 -13.783 -1.482 7.622 1.00 0.00 C ATOM 721 C PHE A 45 -14.388 -2.777 7.089 1.00 0.00 C ATOM 722 O PHE A 45 -15.602 -2.887 6.921 1.00 0.00 O ATOM 723 CB PHE A 45 -13.793 -0.401 6.537 1.00 0.00 C ATOM 724 CG PHE A 45 -13.498 0.976 7.063 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.349 1.581 7.973 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.370 1.664 6.647 1.00 0.00 C ATOM 727 CE1 PHE A 45 -14.080 2.847 8.460 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.096 2.930 7.128 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.952 3.521 8.036 1.00 0.00 C ATOM 0 H PHE A 45 -11.694 -1.212 7.638 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.389 -1.122 8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.057 -0.656 5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.768 -0.395 6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.233 1.058 8.306 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.697 1.205 5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.751 3.307 9.170 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.214 3.456 6.794 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.739 4.510 8.414 1.00 0.00 H new ATOM 739 N ASP A 46 -13.525 -3.756 6.820 1.00 0.00 N ATOM 740 CA ASP A 46 -13.968 -5.053 6.322 1.00 0.00 C ATOM 741 C ASP A 46 -14.524 -5.890 7.469 1.00 0.00 C ATOM 742 O ASP A 46 -13.776 -6.498 8.234 1.00 0.00 O ATOM 743 CB ASP A 46 -12.809 -5.786 5.641 1.00 0.00 C ATOM 744 CG ASP A 46 -13.215 -7.142 5.092 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.430 -7.390 4.953 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.314 -7.956 4.797 1.00 0.00 O ATOM 0 H ASP A 46 -12.515 -3.673 6.939 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.757 -4.896 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.423 -5.171 4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.997 -5.916 6.356 1.00 0.00 H new ATOM 751 N ARG A 47 -15.846 -5.906 7.573 1.00 0.00 N ATOM 752 CA ARG A 47 -16.537 -6.642 8.624 1.00 0.00 C ATOM 753 C ARG A 47 -16.240 -8.139 8.557 1.00 0.00 C ATOM 754 O ARG A 47 -16.075 -8.792 9.588 1.00 0.00 O ATOM 755 CB ARG A 47 -18.041 -6.398 8.508 1.00 0.00 C ATOM 756 CG ARG A 47 -18.393 -4.940 8.254 1.00 0.00 C ATOM 757 CD ARG A 47 -18.611 -4.181 9.554 1.00 0.00 C ATOM 758 NE ARG A 47 -17.384 -4.077 10.337 1.00 0.00 N ATOM 759 CZ ARG A 47 -17.158 -3.124 11.235 1.00 0.00 C ATOM 760 NH1 ARG A 47 -18.076 -2.193 11.468 1.00 0.00 N ATOM 761 NH2 ARG A 47 -16.013 -3.101 11.903 1.00 0.00 N ATOM 0 H ARG A 47 -16.468 -5.411 6.934 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.176 -6.281 9.587 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.440 -7.008 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.528 -6.728 9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.593 -4.466 7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.294 -4.884 7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.986 -3.182 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.376 -4.685 10.144 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.657 -4.777 10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.959 -2.208 10.957 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.899 -1.463 12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.306 -3.815 11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.839 -2.370 12.592 1.00 0.00 H new ATOM 775 N ASP A 48 -16.174 -8.680 7.343 1.00 0.00 N ATOM 776 CA ASP A 48 -15.904 -10.103 7.159 1.00 0.00 C ATOM 777 C ASP A 48 -14.421 -10.414 7.343 1.00 0.00 C ATOM 778 O ASP A 48 -14.044 -11.563 7.577 1.00 0.00 O ATOM 779 CB ASP A 48 -16.358 -10.554 5.769 1.00 0.00 C ATOM 780 CG ASP A 48 -17.826 -10.271 5.520 1.00 0.00 C ATOM 781 OD1 ASP A 48 -18.143 -9.164 5.037 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.659 -11.156 5.809 1.00 0.00 O ATOM 0 H ASP A 48 -16.303 -8.158 6.476 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.465 -10.649 7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.760 -10.047 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.173 -11.622 5.658 1.00 0.00 H new ATOM 787 N GLY A 49 -13.585 -9.386 7.236 1.00 0.00 N ATOM 788 CA GLY A 49 -12.153 -9.567 7.401 1.00 0.00 C ATOM 789 C GLY A 49 -11.567 -10.556 6.409 1.00 0.00 C ATOM 790 O GLY A 49 -10.429 -10.997 6.566 1.00 0.00 O ATOM 0 H GLY A 49 -13.874 -8.428 7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.654 -8.605 7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.949 -9.912 8.415 1.00 0.00 H new ATOM 794 N ASN A 50 -12.343 -10.900 5.386 1.00 0.00 N ATOM 795 CA ASN A 50 -11.895 -11.843 4.366 1.00 0.00 C ATOM 796 C ASN A 50 -10.837 -11.217 3.461 1.00 0.00 C ATOM 797 O ASN A 50 -10.350 -11.853 2.528 1.00 0.00 O ATOM 798 CB ASN A 50 -13.083 -12.325 3.526 1.00 0.00 C ATOM 799 CG ASN A 50 -13.874 -11.182 2.915 1.00 0.00 C ATOM 800 OD1 ASN A 50 -13.893 -10.069 3.443 1.00 0.00 O ATOM 801 ND2 ASN A 50 -14.540 -11.454 1.799 1.00 0.00 N ATOM 0 H ASN A 50 -13.286 -10.540 5.241 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.447 -12.697 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.719 -12.975 2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.744 -12.925 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.094 -10.727 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.497 -12.389 1.395 1.00 0.00 H new ATOM 808 N GLY A 51 -10.481 -9.968 3.748 1.00 0.00 N ATOM 809 CA GLY A 51 -9.484 -9.277 2.950 1.00 0.00 C ATOM 810 C GLY A 51 -10.108 -8.437 1.856 1.00 0.00 C ATOM 811 O GLY A 51 -9.446 -7.588 1.258 1.00 0.00 O ATOM 0 H GLY A 51 -10.865 -9.422 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.882 -8.639 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.808 -10.007 2.504 1.00 0.00 H new ATOM 815 N PHE A 52 -11.390 -8.673 1.596 1.00 0.00 N ATOM 816 CA PHE A 52 -12.113 -7.933 0.570 1.00 0.00 C ATOM 817 C PHE A 52 -13.171 -7.042 1.209 1.00 0.00 C ATOM 818 O PHE A 52 -13.761 -7.400 2.229 1.00 0.00 O ATOM 819 CB PHE A 52 -12.773 -8.895 -0.420 1.00 0.00 C ATOM 820 CG PHE A 52 -11.897 -10.050 -0.815 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.888 -11.216 -0.065 1.00 0.00 C ATOM 822 CD2 PHE A 52 -11.084 -9.971 -1.933 1.00 0.00 C ATOM 823 CE1 PHE A 52 -11.084 -12.281 -0.422 1.00 0.00 C ATOM 824 CE2 PHE A 52 -10.278 -11.034 -2.296 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.277 -12.190 -1.540 1.00 0.00 C ATOM 0 H PHE A 52 -11.950 -9.373 2.083 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.401 -7.309 0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.692 -9.282 0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.057 -8.343 -1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.517 -11.293 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.079 -9.070 -2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.086 -13.183 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.649 -10.961 -3.171 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.647 -13.021 -1.822 1.00 0.00 H new ATOM 835 N ILE A 53 -13.410 -5.884 0.606 1.00 0.00 N ATOM 836 CA ILE A 53 -14.392 -4.944 1.127 1.00 0.00 C ATOM 837 C ILE A 53 -15.550 -4.756 0.151 1.00 0.00 C ATOM 838 O ILE A 53 -15.413 -4.081 -0.870 1.00 0.00 O ATOM 839 CB ILE A 53 -13.747 -3.574 1.424 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.599 -3.728 2.426 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.788 -2.598 1.954 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.550 -2.646 2.310 1.00 0.00 C ATOM 0 H ILE A 53 -12.937 -5.574 -0.243 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.777 -5.365 2.056 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.342 -3.175 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.006 -3.722 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.126 -4.699 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.315 -1.637 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.574 -2.465 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.221 -2.992 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.767 -2.817 3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.116 -2.666 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.009 -1.673 2.487 1.00 0.00 H new ATOM 854 N SER A 54 -16.690 -5.363 0.475 1.00 0.00 N ATOM 855 CA SER A 54 -17.882 -5.262 -0.362 1.00 0.00 C ATOM 856 C SER A 54 -18.332 -3.811 -0.486 1.00 0.00 C ATOM 857 O SER A 54 -17.753 -2.922 0.135 1.00 0.00 O ATOM 858 CB SER A 54 -19.015 -6.104 0.223 1.00 0.00 C ATOM 859 OG SER A 54 -19.376 -5.644 1.514 1.00 0.00 O ATOM 0 H SER A 54 -16.813 -5.931 1.313 1.00 0.00 H new ATOM 0 HA SER A 54 -17.632 -5.638 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.881 -6.063 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.706 -7.148 0.278 1.00 0.00 H new ATOM 0 HG SER A 54 -19.117 -6.311 2.183 1.00 0.00 H new ATOM 865 N LYS A 55 -19.363 -3.570 -1.292 1.00 0.00 N ATOM 866 CA LYS A 55 -19.876 -2.217 -1.481 1.00 0.00 C ATOM 867 C LYS A 55 -20.434 -1.655 -0.178 1.00 0.00 C ATOM 868 O LYS A 55 -20.075 -0.552 0.239 1.00 0.00 O ATOM 869 CB LYS A 55 -20.968 -2.199 -2.554 1.00 0.00 C ATOM 870 CG LYS A 55 -20.517 -2.707 -3.916 1.00 0.00 C ATOM 871 CD LYS A 55 -20.672 -4.217 -4.038 1.00 0.00 C ATOM 872 CE LYS A 55 -22.135 -4.630 -4.071 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.292 -6.108 -4.143 1.00 0.00 N ATOM 0 H LYS A 55 -19.856 -4.289 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.044 -1.592 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.807 -2.806 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.336 -1.179 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.099 -2.218 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.474 -2.435 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.176 -4.562 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.175 -4.703 -3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.639 -4.254 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.623 -4.171 -4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.303 -6.349 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.833 -6.464 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.849 -6.545 -3.310 1.00 0.00 H new ATOM 887 N GLN A 56 -21.311 -2.424 0.462 1.00 0.00 N ATOM 888 CA GLN A 56 -21.936 -2.003 1.712 1.00 0.00 C ATOM 889 C GLN A 56 -20.887 -1.689 2.774 1.00 0.00 C ATOM 890 O GLN A 56 -21.080 -0.802 3.607 1.00 0.00 O ATOM 891 CB GLN A 56 -22.884 -3.091 2.223 1.00 0.00 C ATOM 892 CG GLN A 56 -23.699 -3.770 1.130 1.00 0.00 C ATOM 893 CD GLN A 56 -24.902 -2.959 0.673 1.00 0.00 C ATOM 894 OE1 GLN A 56 -24.780 -1.636 0.683 1.00 0.00 O flip ATOM 895 NE2 GLN A 56 -25.933 -3.521 0.303 1.00 0.00 N flip ATOM 0 H GLN A 56 -21.605 -3.344 0.134 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.505 -1.095 1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.302 -3.847 2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.567 -2.651 2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.053 -3.961 0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.042 -4.739 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.989 -4.539 0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.731 -2.968 -0.010 1.00 0.00 H new ATOM 904 N GLU A 57 -19.776 -2.418 2.738 1.00 0.00 N ATOM 905 CA GLU A 57 -18.696 -2.219 3.697 1.00 0.00 C ATOM 906 C GLU A 57 -17.886 -0.974 3.348 1.00 0.00 C ATOM 907 O GLU A 57 -17.572 -0.153 4.214 1.00 0.00 O ATOM 908 CB GLU A 57 -17.790 -3.452 3.726 1.00 0.00 C ATOM 909 CG GLU A 57 -18.468 -4.686 4.300 1.00 0.00 C ATOM 910 CD GLU A 57 -17.606 -5.929 4.192 1.00 0.00 C ATOM 911 OE1 GLU A 57 -16.646 -6.054 4.979 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.892 -6.778 3.322 1.00 0.00 O ATOM 0 H GLU A 57 -19.600 -3.153 2.053 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.132 -2.075 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.453 -3.670 2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.902 -3.227 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.712 -4.508 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.410 -4.855 3.777 1.00 0.00 H new ATOM 919 N LEU A 58 -17.544 -0.846 2.072 1.00 0.00 N ATOM 920 CA LEU A 58 -16.784 0.298 1.591 1.00 0.00 C ATOM 921 C LEU A 58 -17.548 1.588 1.871 1.00 0.00 C ATOM 922 O LEU A 58 -16.954 2.651 2.058 1.00 0.00 O ATOM 923 CB LEU A 58 -16.522 0.148 0.085 1.00 0.00 C ATOM 924 CG LEU A 58 -15.272 0.850 -0.461 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.467 2.358 -0.503 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.046 0.489 0.364 1.00 0.00 C ATOM 0 H LEU A 58 -17.783 -1.525 1.349 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.828 0.341 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.445 -0.915 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.390 0.528 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.111 0.503 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.566 2.831 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.312 2.598 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.663 2.728 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.172 0.998 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.199 0.798 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.887 -0.589 0.328 1.00 0.00 H new ATOM 938 N GLY A 59 -18.874 1.479 1.915 1.00 0.00 N ATOM 939 CA GLY A 59 -19.706 2.636 2.182 1.00 0.00 C ATOM 940 C GLY A 59 -19.533 3.140 3.600 1.00 0.00 C ATOM 941 O GLY A 59 -19.903 4.270 3.917 1.00 0.00 O ATOM 0 H GLY A 59 -19.385 0.608 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.457 3.432 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.752 2.378 2.013 1.00 0.00 H new ATOM 945 N THR A 60 -18.963 2.291 4.450 1.00 0.00 N ATOM 946 CA THR A 60 -18.724 2.644 5.843 1.00 0.00 C ATOM 947 C THR A 60 -17.404 3.393 5.975 1.00 0.00 C ATOM 948 O THR A 60 -17.209 4.178 6.903 1.00 0.00 O ATOM 949 CB THR A 60 -18.693 1.391 6.742 1.00 0.00 C ATOM 950 OG1 THR A 60 -19.898 0.636 6.572 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.538 1.777 8.207 1.00 0.00 C ATOM 0 H THR A 60 -18.658 1.351 4.196 1.00 0.00 H new ATOM 0 HA THR A 60 -19.545 3.283 6.169 1.00 0.00 H new ATOM 0 HB THR A 60 -17.837 0.784 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 60 -19.870 -0.159 7.145 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.519 0.876 8.821 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.607 2.328 8.342 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.377 2.404 8.509 1.00 0.00 H new ATOM 959 N ALA A 61 -16.498 3.137 5.037 1.00 0.00 N ATOM 960 CA ALA A 61 -15.196 3.793 5.030 1.00 0.00 C ATOM 961 C ALA A 61 -15.325 5.257 4.617 1.00 0.00 C ATOM 962 O ALA A 61 -14.707 6.138 5.215 1.00 0.00 O ATOM 963 CB ALA A 61 -14.242 3.064 4.097 1.00 0.00 C ATOM 0 H ALA A 61 -16.642 2.479 4.271 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.793 3.759 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.274 3.565 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.119 2.035 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.648 3.069 3.085 1.00 0.00 H new ATOM 969 N MET A 62 -16.130 5.507 3.588 1.00 0.00 N ATOM 970 CA MET A 62 -16.342 6.862 3.087 1.00 0.00 C ATOM 971 C MET A 62 -17.029 7.743 4.129 1.00 0.00 C ATOM 972 O MET A 62 -16.577 8.856 4.402 1.00 0.00 O ATOM 973 CB MET A 62 -17.177 6.827 1.807 1.00 0.00 C ATOM 974 CG MET A 62 -16.498 6.099 0.658 1.00 0.00 C ATOM 975 SD MET A 62 -14.952 6.882 0.159 1.00 0.00 S ATOM 976 CE MET A 62 -14.412 5.769 -1.136 1.00 0.00 C ATOM 0 H MET A 62 -16.647 4.787 3.084 1.00 0.00 H new ATOM 0 HA MET A 62 -15.364 7.292 2.871 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.131 6.345 2.019 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.398 7.849 1.499 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.301 5.068 0.952 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.175 6.063 -0.195 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.507 5.252 -0.817 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.195 5.039 -1.338 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.204 6.338 -2.042 1.00 0.00 H new ATOM 986 N ARG A 63 -18.124 7.246 4.705 1.00 0.00 N ATOM 987 CA ARG A 63 -18.867 8.003 5.711 1.00 0.00 C ATOM 988 C ARG A 63 -17.957 8.430 6.858 1.00 0.00 C ATOM 989 O ARG A 63 -18.179 9.466 7.485 1.00 0.00 O ATOM 990 CB ARG A 63 -20.038 7.180 6.254 1.00 0.00 C ATOM 991 CG ARG A 63 -19.611 5.916 6.979 1.00 0.00 C ATOM 992 CD ARG A 63 -20.771 5.280 7.728 1.00 0.00 C ATOM 993 NE ARG A 63 -21.337 6.183 8.726 1.00 0.00 N ATOM 994 CZ ARG A 63 -21.699 5.800 9.947 1.00 0.00 C ATOM 995 NH1 ARG A 63 -21.549 4.536 10.323 1.00 0.00 N ATOM 996 NH2 ARG A 63 -22.210 6.682 10.795 1.00 0.00 N ATOM 0 H ARG A 63 -18.514 6.328 4.493 1.00 0.00 H new ATOM 0 HA ARG A 63 -19.259 8.898 5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.621 7.800 6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.695 6.910 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.207 5.203 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.810 6.151 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.547 4.992 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.430 4.367 8.216 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.462 7.163 8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -21.155 3.854 9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.828 4.246 11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.326 7.655 10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -22.487 6.388 11.731 1.00 0.00 H new ATOM 1010 N SER A 64 -16.939 7.620 7.133 1.00 0.00 N ATOM 1011 CA SER A 64 -15.993 7.918 8.202 1.00 0.00 C ATOM 1012 C SER A 64 -15.366 9.293 7.996 1.00 0.00 C ATOM 1013 O SER A 64 -15.133 10.031 8.954 1.00 0.00 O ATOM 1014 CB SER A 64 -14.900 6.849 8.264 1.00 0.00 C ATOM 1015 OG SER A 64 -13.983 7.118 9.310 1.00 0.00 O ATOM 0 H SER A 64 -16.749 6.753 6.631 1.00 0.00 H new ATOM 0 HA SER A 64 -16.537 7.920 9.147 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.353 5.869 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.370 6.811 7.312 1.00 0.00 H new ATOM 0 HG SER A 64 -13.295 6.420 9.330 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.096 9.630 6.738 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.501 10.918 6.402 1.00 0.00 C ATOM 1023 C LEU A 65 -15.533 12.036 6.523 1.00 0.00 C ATOM 1024 O LEU A 65 -15.182 13.209 6.648 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.929 10.883 4.981 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.214 9.583 4.596 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.731 9.644 3.155 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.050 9.308 5.537 1.00 0.00 C ATOM 0 H LEU A 65 -15.280 9.028 5.935 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.692 11.116 7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.742 11.054 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.229 11.711 4.868 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.927 8.764 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.226 8.712 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.584 9.788 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.037 10.476 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.557 8.381 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.337 10.130 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.421 9.216 6.558 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.809 11.658 6.486 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.880 12.633 6.595 1.00 0.00 C ATOM 1042 C GLY A 66 -18.745 12.689 5.350 1.00 0.00 C ATOM 1043 O GLY A 66 -19.317 13.732 5.031 1.00 0.00 O ATOM 0 H GLY A 66 -17.120 10.692 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.503 12.389 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.452 13.618 6.781 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.841 11.563 4.647 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.642 11.484 3.428 1.00 0.00 C ATOM 1049 C TYR A 67 -20.434 10.181 3.383 1.00 0.00 C ATOM 1050 O TYR A 67 -19.898 9.132 3.031 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.742 11.588 2.195 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.907 12.847 2.157 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -18.417 14.025 1.626 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.610 12.860 2.656 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -17.657 15.179 1.591 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.845 14.010 2.625 1.00 0.00 C ATOM 1057 CZ TYR A 67 -16.373 15.166 2.092 1.00 0.00 C ATOM 1058 OH TYR A 67 -15.616 16.315 2.059 1.00 0.00 O ATOM 0 H TYR A 67 -18.374 10.692 4.901 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.345 12.317 3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.080 10.723 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.362 11.546 1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -19.423 14.039 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -16.193 11.956 3.075 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -18.067 16.086 1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.838 14.003 3.016 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.736 16.138 2.452 1.00 0.00 H new ATOM 1068 N MET A 68 -21.714 10.258 3.739 1.00 0.00 N ATOM 1069 CA MET A 68 -22.581 9.083 3.742 1.00 0.00 C ATOM 1070 C MET A 68 -23.007 8.714 2.319 1.00 0.00 C ATOM 1071 O MET A 68 -23.786 9.436 1.697 1.00 0.00 O ATOM 1072 CB MET A 68 -23.821 9.336 4.604 1.00 0.00 C ATOM 1073 CG MET A 68 -23.513 9.525 6.081 1.00 0.00 C ATOM 1074 SD MET A 68 -22.646 11.068 6.426 1.00 0.00 S ATOM 1075 CE MET A 68 -23.887 12.268 5.951 1.00 0.00 C ATOM 0 H MET A 68 -22.173 11.121 4.029 1.00 0.00 H new ATOM 0 HA MET A 68 -22.017 8.251 4.163 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.335 10.223 4.233 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.509 8.498 4.490 1.00 0.00 H new ATOM 0 HG2 MET A 68 -24.444 9.503 6.647 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.908 8.688 6.431 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.695 13.212 6.461 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.848 12.424 4.873 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.874 11.900 6.229 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.505 7.582 1.781 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.838 7.126 0.434 1.00 0.00 C ATOM 1087 C PRO A 69 -24.144 6.341 0.396 1.00 0.00 C ATOM 1088 O PRO A 69 -24.393 5.489 1.249 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.660 6.214 0.055 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.771 6.144 1.263 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.574 6.654 2.426 1.00 0.00 C ATOM 0 HA PRO A 69 -22.982 7.962 -0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.012 5.221 -0.226 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -21.119 6.615 -0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.441 5.120 1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.875 6.747 1.118 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -22.096 5.849 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.947 7.154 3.164 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.972 6.633 -0.601 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.253 5.953 -0.758 1.00 0.00 C ATOM 1101 C ASN A 70 -26.073 4.605 -1.448 1.00 0.00 C ATOM 1102 O ASN A 70 -24.949 4.178 -1.708 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.214 6.830 -1.562 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.432 8.183 -0.917 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -27.586 8.286 0.301 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -27.427 9.234 -1.729 1.00 0.00 N ATOM 0 H ASN A 70 -24.779 7.337 -1.314 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.672 5.776 0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.820 6.969 -2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -28.172 6.319 -1.662 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -27.554 10.172 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -27.296 9.103 -2.732 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.187 3.941 -1.746 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.153 2.640 -2.404 1.00 0.00 C ATOM 1115 C GLU A 71 -26.447 2.727 -3.753 1.00 0.00 C ATOM 1116 O GLU A 71 -25.412 2.099 -3.969 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.574 2.110 -2.609 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.443 2.194 -1.366 1.00 0.00 C ATOM 1119 CD GLU A 71 -28.944 1.305 -0.243 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -28.109 1.774 0.559 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -29.388 0.140 -0.166 1.00 0.00 O ATOM 0 H GLU A 71 -28.125 4.284 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.599 1.957 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -29.050 2.672 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.521 1.071 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.476 3.227 -1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -30.464 1.911 -1.622 1.00 0.00 H new ATOM 1128 N VAL A 72 -27.020 3.512 -4.657 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.478 3.694 -5.982 1.00 0.00 C ATOM 1130 C VAL A 72 -25.103 4.355 -5.950 1.00 0.00 C ATOM 1131 O VAL A 72 -24.343 4.275 -6.917 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.438 4.550 -6.812 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -28.719 3.787 -7.108 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -27.744 5.855 -6.092 1.00 0.00 C ATOM 0 H VAL A 72 -27.876 4.038 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.362 2.709 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 72 -26.956 4.785 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -29.387 4.413 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -28.482 2.881 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -29.207 3.518 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.428 6.452 -6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.205 5.639 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -26.819 6.410 -5.936 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.789 5.011 -4.837 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.507 5.692 -4.688 1.00 0.00 C ATOM 1146 C GLU A 73 -22.367 4.695 -4.486 1.00 0.00 C ATOM 1147 O GLU A 73 -21.423 4.653 -5.272 1.00 0.00 O ATOM 1148 CB GLU A 73 -23.560 6.671 -3.514 1.00 0.00 C ATOM 1149 CG GLU A 73 -24.536 7.817 -3.724 1.00 0.00 C ATOM 1150 CD GLU A 73 -24.177 8.673 -4.923 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.393 9.632 -4.755 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -24.679 8.386 -6.029 1.00 0.00 O ATOM 0 H GLU A 73 -25.403 5.085 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.314 6.244 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -23.838 6.128 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.563 7.079 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -25.540 7.415 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -24.557 8.440 -2.830 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.465 3.892 -3.431 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.435 2.900 -3.126 1.00 0.00 C ATOM 1161 C LEU A 74 -21.198 1.959 -4.305 1.00 0.00 C ATOM 1162 O LEU A 74 -20.197 1.245 -4.348 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.822 2.103 -1.875 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.268 1.601 -1.838 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.407 0.294 -2.604 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.733 1.428 -0.400 1.00 0.00 C ATOM 0 H LEU A 74 -23.244 3.907 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.503 3.432 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.155 1.245 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.650 2.728 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.900 2.346 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.443 -0.043 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.116 0.448 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -22.762 -0.461 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.763 1.071 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.093 0.704 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.677 2.385 0.118 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.124 1.962 -5.259 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.013 1.109 -6.437 1.00 0.00 C ATOM 1180 C GLU A 75 -21.123 1.740 -7.509 1.00 0.00 C ATOM 1181 O GLU A 75 -20.350 1.044 -8.167 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.400 0.821 -7.015 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.275 -0.026 -6.104 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.666 -0.240 -6.666 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -25.819 -1.094 -7.565 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -26.604 0.445 -6.209 1.00 0.00 O ATOM 0 H GLU A 75 -22.960 2.546 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.550 0.174 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.905 1.766 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.287 0.312 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -23.798 -0.993 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.351 0.455 -5.129 1.00 0.00 H new ATOM 1193 N VAL A 76 -21.232 3.057 -7.684 1.00 0.00 N ATOM 1194 CA VAL A 76 -20.433 3.758 -8.688 1.00 0.00 C ATOM 1195 C VAL A 76 -18.992 3.950 -8.225 1.00 0.00 C ATOM 1196 O VAL A 76 -18.083 4.100 -9.041 1.00 0.00 O ATOM 1197 CB VAL A 76 -21.037 5.132 -9.052 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -22.456 4.971 -9.570 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -21.004 6.076 -7.858 1.00 0.00 C ATOM 0 H VAL A 76 -21.861 3.656 -7.148 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.441 3.127 -9.577 1.00 0.00 H new ATOM 0 HB VAL A 76 -20.429 5.570 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.865 5.950 -9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -22.449 4.341 -10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -23.073 4.506 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.435 7.036 -8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.581 5.647 -7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.972 6.222 -7.538 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.792 3.961 -6.915 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.461 4.132 -6.346 1.00 0.00 C ATOM 1211 C ILE A 77 -16.686 2.817 -6.344 1.00 0.00 C ATOM 1212 O ILE A 77 -15.467 2.800 -6.521 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.539 4.674 -4.906 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.368 5.957 -4.874 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.144 4.924 -4.352 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.284 6.050 -3.675 1.00 0.00 C ATOM 0 H ILE A 77 -19.535 3.853 -6.224 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.937 4.853 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.025 3.928 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.696 6.815 -4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.965 6.018 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.220 5.307 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.581 3.990 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.630 5.654 -4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.843 6.985 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.980 5.211 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.691 6.021 -2.761 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.404 1.715 -6.147 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.793 0.390 -6.103 1.00 0.00 C ATOM 1230 C ILE A 78 -16.369 -0.094 -7.491 1.00 0.00 C ATOM 1231 O ILE A 78 -15.425 -0.875 -7.615 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.755 -0.637 -5.458 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.727 -0.500 -3.932 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.414 -2.064 -5.876 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.405 -0.896 -3.306 1.00 0.00 C ATOM 0 H ILE A 78 -18.415 1.714 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.895 0.475 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.763 -0.424 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.950 0.533 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.519 -1.117 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.110 -2.758 -5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.491 -2.154 -6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.397 -2.302 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.463 -0.772 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.189 -1.938 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.611 -0.263 -3.702 1.00 0.00 H new ATOM 1247 N GLN A 79 -17.050 0.373 -8.532 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.723 -0.044 -9.892 1.00 0.00 C ATOM 1249 C GLN A 79 -15.403 0.570 -10.350 1.00 0.00 C ATOM 1250 O GLN A 79 -14.837 0.162 -11.364 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.843 0.346 -10.860 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.042 1.846 -10.992 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.003 2.215 -12.106 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.926 1.464 -12.418 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.788 3.377 -12.714 1.00 0.00 N ATOM 0 H GLN A 79 -17.824 1.034 -8.463 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.619 -1.129 -9.891 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.623 -0.070 -11.843 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.776 -0.107 -10.524 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.417 2.243 -10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.079 2.321 -11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.010 3.969 -12.423 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.401 3.677 -13.472 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.919 1.552 -9.596 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.665 2.221 -9.924 1.00 0.00 C ATOM 1266 C ARG A 80 -12.473 1.435 -9.389 1.00 0.00 C ATOM 1267 O ARG A 80 -11.451 1.303 -10.062 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.655 3.639 -9.350 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.822 4.495 -9.815 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.792 4.715 -11.319 1.00 0.00 C ATOM 1271 NE ARG A 80 -15.908 5.539 -11.772 1.00 0.00 N ATOM 1272 CZ ARG A 80 -16.100 5.887 -13.041 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -15.252 5.484 -13.979 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -17.141 6.638 -13.373 1.00 0.00 N ATOM 0 H ARG A 80 -15.376 1.902 -8.754 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.583 2.275 -11.010 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.670 3.581 -8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.722 4.128 -9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.760 4.015 -9.536 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.793 5.458 -9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.852 5.192 -11.597 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.823 3.751 -11.827 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.578 5.866 -11.076 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.450 4.906 -13.727 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.402 5.753 -14.952 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.795 6.949 -12.655 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.288 6.905 -14.347 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.612 0.915 -8.174 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.548 0.141 -7.548 1.00 0.00 C ATOM 1290 C LEU A 81 -11.550 -1.297 -8.060 1.00 0.00 C ATOM 1291 O LEU A 81 -10.515 -1.824 -8.467 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.701 0.151 -6.023 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.413 1.491 -5.342 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -12.541 2.479 -5.588 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -11.196 1.291 -3.848 1.00 0.00 C ATOM 0 H LEU A 81 -13.452 1.016 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.597 0.604 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.718 -0.152 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.033 -0.601 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.502 1.904 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.312 3.423 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.650 2.647 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.471 2.076 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.992 2.253 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.091 0.853 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.349 0.623 -3.690 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.723 -1.922 -8.036 1.00 0.00 N ATOM 1308 CA ASP A 82 -12.872 -3.300 -8.492 1.00 0.00 C ATOM 1309 C ASP A 82 -12.655 -3.407 -10.001 1.00 0.00 C ATOM 1310 O ASP A 82 -13.600 -3.314 -10.784 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.260 -3.825 -8.120 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.415 -5.307 -8.392 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.390 -5.980 -8.628 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.563 -5.795 -8.365 1.00 0.00 O ATOM 0 H ASP A 82 -13.587 -1.494 -7.704 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.114 -3.908 -7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.446 -3.632 -7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.015 -3.275 -8.682 1.00 0.00 H new ATOM 1319 N MET A 83 -11.400 -3.602 -10.395 1.00 0.00 N ATOM 1320 CA MET A 83 -11.042 -3.716 -11.808 1.00 0.00 C ATOM 1321 C MET A 83 -11.543 -5.022 -12.421 1.00 0.00 C ATOM 1322 O MET A 83 -12.198 -5.013 -13.464 1.00 0.00 O ATOM 1323 CB MET A 83 -9.524 -3.620 -11.974 1.00 0.00 C ATOM 1324 CG MET A 83 -8.946 -2.284 -11.540 1.00 0.00 C ATOM 1325 SD MET A 83 -9.607 -0.898 -12.488 1.00 0.00 S ATOM 1326 CE MET A 83 -9.132 -1.368 -14.150 1.00 0.00 C ATOM 0 H MET A 83 -10.611 -3.685 -9.754 1.00 0.00 H new ATOM 0 HA MET A 83 -11.525 -2.893 -12.334 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.053 -4.415 -11.396 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.270 -3.793 -13.020 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.156 -2.128 -10.482 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.862 -2.309 -11.649 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.158 -0.491 -14.797 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.123 -1.780 -14.137 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.826 -2.119 -14.528 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.229 -6.142 -11.776 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.638 -7.451 -12.280 1.00 0.00 C ATOM 1338 C ASP A 84 -13.151 -7.639 -12.186 1.00 0.00 C ATOM 1339 O ASP A 84 -13.730 -8.448 -12.911 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.916 -8.565 -11.520 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.195 -8.530 -10.032 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -10.881 -7.505 -9.391 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -11.720 -9.532 -9.506 1.00 0.00 O ATOM 0 H ASP A 84 -10.695 -6.171 -10.907 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.360 -7.503 -13.333 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.223 -9.531 -11.921 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.842 -8.477 -11.687 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.785 -6.887 -11.289 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.227 -6.975 -11.129 1.00 0.00 C ATOM 1350 C GLY A 85 -15.670 -8.175 -10.312 1.00 0.00 C ATOM 1351 O GLY A 85 -16.623 -8.861 -10.680 1.00 0.00 O ATOM 0 H GLY A 85 -13.326 -6.219 -10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.588 -6.065 -10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.692 -7.023 -12.114 1.00 0.00 H new ATOM 1355 N ASP A 86 -14.987 -8.428 -9.198 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.331 -9.554 -8.335 1.00 0.00 C ATOM 1357 C ASP A 86 -16.338 -9.138 -7.267 1.00 0.00 C ATOM 1358 O ASP A 86 -16.582 -9.875 -6.310 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.077 -10.123 -7.671 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.388 -9.114 -6.773 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.577 -8.316 -7.289 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -13.660 -9.122 -5.555 1.00 0.00 O ATOM 0 H ASP A 86 -14.196 -7.871 -8.873 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.785 -10.325 -8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.347 -11.002 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.381 -10.455 -8.441 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.921 -7.954 -7.435 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.894 -7.462 -6.477 1.00 0.00 C ATOM 1369 C GLY A 87 -17.251 -6.854 -5.244 1.00 0.00 C ATOM 1370 O GLY A 87 -17.882 -6.075 -4.529 1.00 0.00 O ATOM 0 H GLY A 87 -16.736 -7.327 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.525 -6.714 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.546 -8.282 -6.174 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.994 -7.210 -4.994 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.269 -6.697 -3.836 1.00 0.00 C ATOM 1376 C GLN A 88 -13.913 -6.127 -4.244 1.00 0.00 C ATOM 1377 O GLN A 88 -13.408 -6.415 -5.329 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.086 -7.808 -2.800 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.399 -8.399 -2.311 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.200 -9.603 -1.410 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -15.227 -10.344 -1.550 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -17.126 -9.807 -0.481 1.00 0.00 N ATOM 0 H GLN A 88 -15.457 -7.851 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.855 -5.890 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.478 -8.602 -3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.534 -7.412 -1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.958 -7.635 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.004 -8.689 -3.170 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.917 -9.168 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.047 -10.603 0.152 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.331 -5.314 -3.366 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.035 -4.697 -3.632 1.00 0.00 C ATOM 1393 C VAL A 89 -10.906 -5.472 -2.958 1.00 0.00 C ATOM 1394 O VAL A 89 -10.928 -5.692 -1.747 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.002 -3.235 -3.149 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.661 -2.591 -3.468 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.143 -2.444 -3.769 1.00 0.00 C ATOM 0 H VAL A 89 -13.737 -5.067 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.889 -4.719 -4.712 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.129 -3.228 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.661 -1.559 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.864 -3.144 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.496 -2.609 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.105 -1.413 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.049 -2.460 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.094 -2.891 -3.480 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.919 -5.878 -3.752 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.780 -6.630 -3.236 1.00 0.00 C ATOM 1409 C ASP A 90 -7.684 -5.694 -2.736 1.00 0.00 C ATOM 1410 O ASP A 90 -7.568 -4.559 -3.199 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.222 -7.554 -4.319 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.090 -8.424 -3.809 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.377 -9.500 -3.242 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -5.916 -8.030 -3.977 1.00 0.00 O ATOM 0 H ASP A 90 -9.885 -5.699 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.127 -7.231 -2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.022 -8.189 -4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.867 -6.954 -5.157 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.890 -6.173 -1.784 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.803 -5.380 -1.215 1.00 0.00 C ATOM 1421 C PHE A 91 -4.884 -4.826 -2.302 1.00 0.00 C ATOM 1422 O PHE A 91 -4.634 -3.622 -2.357 1.00 0.00 O ATOM 1423 CB PHE A 91 -4.993 -6.226 -0.228 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.766 -5.537 0.303 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.872 -4.362 1.030 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.506 -6.069 0.076 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.745 -3.730 1.519 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.375 -5.441 0.564 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.495 -4.270 1.286 1.00 0.00 C ATOM 0 H PHE A 91 -6.978 -7.109 -1.388 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.248 -4.536 -0.689 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.634 -6.502 0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.694 -7.152 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.847 -3.936 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.407 -6.984 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.841 -2.814 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.399 -5.866 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.613 -3.777 1.668 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.389 -5.712 -3.162 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.486 -5.320 -4.243 1.00 0.00 C ATOM 1441 C GLU A 92 -4.036 -4.141 -5.043 1.00 0.00 C ATOM 1442 O GLU A 92 -3.396 -3.096 -5.141 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.230 -6.506 -5.176 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.515 -7.666 -4.504 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.196 -8.790 -5.470 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -3.052 -9.681 -5.649 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -1.090 -8.777 -6.051 1.00 0.00 O ATOM 0 H GLU A 92 -4.598 -6.710 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.547 -5.006 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.183 -6.858 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.637 -6.168 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.591 -7.306 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.136 -8.052 -3.695 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.217 -4.318 -5.622 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.845 -3.268 -6.421 1.00 0.00 C ATOM 1456 C GLU A 93 -5.897 -1.937 -5.670 1.00 0.00 C ATOM 1457 O GLU A 93 -5.839 -0.870 -6.281 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.259 -3.689 -6.822 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.301 -4.963 -7.648 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.711 -5.484 -7.847 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.403 -4.988 -8.761 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.123 -6.387 -7.089 1.00 0.00 O ATOM 0 H GLU A 93 -5.761 -5.178 -5.554 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.236 -3.126 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.857 -3.830 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.723 -2.882 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.846 -4.776 -8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.701 -5.729 -7.158 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.998 -2.003 -4.346 1.00 0.00 N ATOM 1470 CA PHE A 94 -6.075 -0.797 -3.526 1.00 0.00 C ATOM 1471 C PHE A 94 -4.689 -0.301 -3.111 1.00 0.00 C ATOM 1472 O PHE A 94 -4.517 0.873 -2.781 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.932 -1.063 -2.284 1.00 0.00 C ATOM 1474 CG PHE A 94 -7.178 0.157 -1.438 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.864 1.246 -1.951 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.723 0.211 -0.129 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -8.093 2.366 -1.175 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.949 1.330 0.651 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.635 2.408 0.128 1.00 0.00 C ATOM 0 H PHE A 94 -6.028 -2.876 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.538 -0.015 -4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.891 -1.474 -2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.444 -1.823 -1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.224 1.219 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.187 -0.630 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.630 3.208 -1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.589 1.361 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.813 3.282 0.736 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.702 -1.192 -3.138 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.341 -0.832 -2.748 1.00 0.00 C ATOM 1491 C VAL A 95 -1.689 0.090 -3.777 1.00 0.00 C ATOM 1492 O VAL A 95 -0.795 0.868 -3.445 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.458 -2.085 -2.540 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.757 -2.495 -3.829 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.443 -1.840 -1.434 1.00 0.00 C ATOM 0 H VAL A 95 -3.817 -2.164 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.419 -0.299 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.110 -2.907 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.146 -3.378 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.502 -2.721 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.121 -1.679 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.171 -2.731 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.194 -0.998 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.965 -1.616 -0.504 1.00 0.00 H new ATOM 1505 N THR A 96 -2.139 -0.001 -5.026 1.00 0.00 N ATOM 1506 CA THR A 96 -1.593 0.827 -6.095 1.00 0.00 C ATOM 1507 C THR A 96 -2.359 2.140 -6.225 1.00 0.00 C ATOM 1508 O THR A 96 -1.766 3.191 -6.467 1.00 0.00 O ATOM 1509 CB THR A 96 -1.624 0.090 -7.448 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.904 -1.145 -7.350 1.00 0.00 O ATOM 1511 CG2 THR A 96 -1.017 0.947 -8.549 1.00 0.00 C ATOM 0 H THR A 96 -2.879 -0.639 -5.321 1.00 0.00 H new ATOM 0 HA THR A 96 -0.558 1.041 -5.829 1.00 0.00 H new ATOM 0 HB THR A 96 -2.665 -0.113 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.930 -1.608 -8.213 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.051 0.404 -9.493 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.583 1.874 -8.643 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.019 1.178 -8.301 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.678 2.070 -6.065 1.00 0.00 N ATOM 1520 CA LEU A 97 -4.525 3.255 -6.166 1.00 0.00 C ATOM 1521 C LEU A 97 -4.055 4.358 -5.221 1.00 0.00 C ATOM 1522 O LEU A 97 -4.253 5.543 -5.491 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.981 2.893 -5.864 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.659 2.010 -6.914 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.985 1.480 -6.390 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -6.867 2.783 -8.207 1.00 0.00 C ATOM 0 H LEU A 97 -4.183 1.206 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.452 3.630 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.021 2.383 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.555 3.814 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.008 1.161 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.453 0.854 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.811 0.889 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.643 2.316 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.350 2.139 -8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.498 3.651 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.902 3.113 -8.592 1.00 0.00 H new ATOM 1538 N LEU A 98 -3.430 3.968 -4.112 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.936 4.934 -3.136 1.00 0.00 C ATOM 1540 C LEU A 98 -1.421 5.085 -3.230 1.00 0.00 C ATOM 1541 O LEU A 98 -0.839 5.985 -2.625 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.340 4.515 -1.720 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.915 3.105 -1.302 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -1.478 3.096 -0.799 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -3.854 2.563 -0.236 1.00 0.00 C ATOM 0 H LEU A 98 -3.255 2.993 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.387 5.900 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.914 5.228 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.424 4.589 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.971 2.459 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.201 2.083 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.813 3.441 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.390 3.758 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.539 1.560 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.828 3.215 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.869 2.525 -0.631 1.00 0.00 H new ATOM 1557 N GLY A 99 -0.786 4.199 -3.991 1.00 0.00 N ATOM 1558 CA GLY A 99 0.655 4.252 -4.147 1.00 0.00 C ATOM 1559 C GLY A 99 1.077 5.068 -5.358 1.00 0.00 C ATOM 1560 O GLY A 99 0.577 4.836 -6.459 1.00 0.00 O ATOM 0 H GLY A 99 -1.245 3.445 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.099 4.682 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.045 3.239 -4.241 1.00 0.00 H new ATOM 1564 N PRO A 100 2.000 6.036 -5.191 1.00 0.00 N ATOM 1565 CA PRO A 100 2.467 6.874 -6.301 1.00 0.00 C ATOM 1566 C PRO A 100 3.290 6.083 -7.313 1.00 0.00 C ATOM 1567 O PRO A 100 2.700 5.586 -8.295 1.00 0.00 O ATOM 1568 CB PRO A 100 3.333 7.933 -5.614 1.00 0.00 C ATOM 1569 CG PRO A 100 3.785 7.291 -4.348 1.00 0.00 C ATOM 1570 CD PRO A 100 2.660 6.391 -3.918 1.00 0.00 C ATOM 1571 OXT PRO A 100 4.519 5.965 -7.116 1.00 0.00 O ATOM 0 HA PRO A 100 1.638 7.293 -6.872 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.180 8.217 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.764 8.842 -5.416 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.702 6.723 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.000 8.040 -3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.029 5.508 -3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.976 6.899 -3.239 1.00 0.00 H new TER 1579 PRO A 100 HETATM 1580 CA CA A 201 -16.080 -8.333 3.463 1.00 0.00 CA HETATM 1581 CA CA A 202 -11.458 -6.011 -7.174 1.00 0.00 CA