USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 731 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 7 LYS NZ :NH3+ 142:sc= -0.24 (180deg=-0.282) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.452 K(o=-0.69,f=-1.5) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -1.55 K(o=-1.6,f=-6!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -3.97 K(o=-4,f=-8.1!) USER MOD Single : A 16 ASN : amide:sc= -0.222 K(o=-0.22,f=-0.72) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 31 ASN : amide:sc= -0.0209 K(o=-0.021,f=-2.9!) USER MOD Single : A 32 MET CE :methyl -105:sc= -0.716 (180deg=-4.61!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.783 K(o=-0.78,f=-2.1!) USER MOD Single : A 39 THR OG1 : rot 102:sc= 0.777 USER MOD Single : A 42 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.4!) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= -0.0437 (180deg=-0.1) USER MOD Single : A 49 HIS : no HD1:sc= -0.195 K(o=-0.2,f=-1.2) USER MOD Single : A 52 GLN : amide:sc= -1.74 K(o=-1.7,f=-5.2!) USER MOD Single : A 53 ASN : amide:sc= -0.538 X(o=-0.54,f=-0.17!) USER MOD Single : A 54 ASN : amide:sc= -2.89! C(o=-2.9!,f=-13!) USER MOD Single : A 58 LYS NZ :NH3+ 140:sc= -2.14! (180deg=-6.21!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 70:sc= -1.33 USER MOD Single : A 69 THR OG1 : rot 139:sc= -2.89! USER MOD Single : A 71 SER OG : rot 64:sc=-0.00454 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -8.243 7.363 -1.685 1.00 0.00 N ATOM 21 CA LEU A 2 -9.070 6.980 -2.855 1.00 0.00 C ATOM 22 C LEU A 2 -10.417 6.447 -2.411 1.00 0.00 C ATOM 23 O LEU A 2 -10.555 5.771 -1.412 1.00 0.00 O ATOM 24 CB LEU A 2 -8.280 5.932 -3.617 1.00 0.00 C ATOM 25 CG LEU A 2 -8.991 5.677 -4.941 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.975 5.375 -6.048 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.918 4.492 -4.756 1.00 0.00 C ATOM 0 HA LEU A 2 -9.278 7.840 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.261 6.276 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.211 5.011 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.556 6.562 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.501 5.196 -6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.302 6.224 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.398 4.490 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.440 4.289 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.336 3.617 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.646 4.717 -3.976 1.00 0.00 H new ATOM 39 N THR A 3 -11.416 6.801 -3.155 1.00 0.00 N ATOM 40 CA THR A 3 -12.798 6.393 -2.826 1.00 0.00 C ATOM 41 C THR A 3 -13.370 5.512 -3.947 1.00 0.00 C ATOM 42 O THR A 3 -12.793 5.381 -5.006 1.00 0.00 O ATOM 43 CB THR A 3 -13.511 7.746 -2.658 1.00 0.00 C ATOM 44 OG1 THR A 3 -14.108 7.801 -1.371 1.00 0.00 O ATOM 45 CG2 THR A 3 -14.594 7.984 -3.723 1.00 0.00 C ATOM 0 H THR A 3 -11.330 7.370 -3.997 1.00 0.00 H new ATOM 0 HA THR A 3 -12.903 5.777 -1.933 1.00 0.00 H new ATOM 0 HB THR A 3 -12.759 8.526 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.562 8.662 -1.258 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.063 8.953 -3.555 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.140 7.968 -4.714 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.348 7.200 -3.657 1.00 0.00 H new ATOM 53 N GLY A 4 -14.488 4.894 -3.696 1.00 0.00 N ATOM 54 CA GLY A 4 -15.116 3.990 -4.711 1.00 0.00 C ATOM 55 C GLY A 4 -15.067 4.602 -6.119 1.00 0.00 C ATOM 56 O GLY A 4 -14.500 4.031 -7.030 1.00 0.00 O ATOM 0 H GLY A 4 -15.004 4.975 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.600 3.030 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.152 3.795 -4.434 1.00 0.00 H new ATOM 60 N LYS A 5 -15.673 5.740 -6.313 1.00 0.00 N ATOM 61 CA LYS A 5 -15.676 6.361 -7.673 1.00 0.00 C ATOM 62 C LYS A 5 -14.253 6.628 -8.176 1.00 0.00 C ATOM 63 O LYS A 5 -13.979 6.516 -9.357 1.00 0.00 O ATOM 64 CB LYS A 5 -16.435 7.675 -7.510 1.00 0.00 C ATOM 65 CG LYS A 5 -16.574 8.355 -8.874 1.00 0.00 C ATOM 66 CD LYS A 5 -17.951 8.040 -9.462 1.00 0.00 C ATOM 67 CE LYS A 5 -18.253 9.007 -10.608 1.00 0.00 C ATOM 68 NZ LYS A 5 -19.474 9.743 -10.178 1.00 0.00 N ATOM 0 H LYS A 5 -16.166 6.268 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 5 -16.138 5.700 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.420 7.488 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.906 8.330 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.449 9.433 -8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.791 8.007 -9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.977 7.012 -9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.716 8.125 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.420 9.689 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.423 8.472 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.744 10.427 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.252 9.069 -10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.280 10.249 -9.290 1.00 0.00 H new ATOM 82 N GLN A 6 -13.344 6.982 -7.308 1.00 0.00 N ATOM 83 CA GLN A 6 -11.959 7.253 -7.770 1.00 0.00 C ATOM 84 C GLN A 6 -11.332 5.957 -8.281 1.00 0.00 C ATOM 85 O GLN A 6 -10.676 5.922 -9.304 1.00 0.00 O ATOM 86 CB GLN A 6 -11.228 7.738 -6.528 1.00 0.00 C ATOM 87 CG GLN A 6 -11.820 9.072 -6.075 1.00 0.00 C ATOM 88 CD GLN A 6 -10.876 9.735 -5.071 1.00 0.00 C ATOM 89 OE1 GLN A 6 -9.681 9.786 -5.285 1.00 0.00 O ATOM 90 NE2 GLN A 6 -11.365 10.249 -3.977 1.00 0.00 N ATOM 0 H GLN A 6 -13.502 7.094 -6.307 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.917 7.980 -8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.315 7.000 -5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.165 7.853 -6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.971 9.725 -6.934 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.798 8.912 -5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.368 10.206 -3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.744 10.694 -3.301 1.00 0.00 H new ATOM 99 N LYS A 7 -11.545 4.889 -7.564 1.00 0.00 N ATOM 100 CA LYS A 7 -10.988 3.571 -7.971 1.00 0.00 C ATOM 101 C LYS A 7 -11.499 3.193 -9.361 1.00 0.00 C ATOM 102 O LYS A 7 -10.756 2.743 -10.201 1.00 0.00 O ATOM 103 CB LYS A 7 -11.525 2.594 -6.915 1.00 0.00 C ATOM 104 CG LYS A 7 -11.362 1.153 -7.399 1.00 0.00 C ATOM 105 CD LYS A 7 -12.651 0.688 -8.073 1.00 0.00 C ATOM 106 CE LYS A 7 -12.312 0.134 -9.457 1.00 0.00 C ATOM 107 NZ LYS A 7 -13.602 -0.376 -9.998 1.00 0.00 N ATOM 0 H LYS A 7 -12.089 4.875 -6.701 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.899 3.569 -8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.990 2.733 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.576 2.802 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.529 1.086 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.124 0.501 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.138 -0.078 -7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.352 1.518 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.894 0.908 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.570 -0.662 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.656 -0.173 -11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.660 -1.403 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.392 0.091 -9.509 1.00 0.00 H new ATOM 121 N ARG A 8 -12.769 3.345 -9.598 1.00 0.00 N ATOM 122 CA ARG A 8 -13.320 2.957 -10.923 1.00 0.00 C ATOM 123 C ARG A 8 -12.526 3.609 -12.064 1.00 0.00 C ATOM 124 O ARG A 8 -12.026 2.938 -12.950 1.00 0.00 O ATOM 125 CB ARG A 8 -14.761 3.469 -10.911 1.00 0.00 C ATOM 126 CG ARG A 8 -15.447 3.102 -12.230 1.00 0.00 C ATOM 127 CD ARG A 8 -16.059 1.704 -12.119 1.00 0.00 C ATOM 128 NE ARG A 8 -16.843 1.525 -13.373 1.00 0.00 N ATOM 129 CZ ARG A 8 -17.943 0.823 -13.360 1.00 0.00 C ATOM 130 NH1 ARG A 8 -17.905 -0.445 -13.054 1.00 0.00 N ATOM 131 NH2 ARG A 8 -19.082 1.388 -13.655 1.00 0.00 N ATOM 0 H ARG A 8 -13.447 3.720 -8.935 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.263 1.881 -11.088 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.305 3.034 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.772 4.550 -10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -16.222 3.832 -12.464 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.726 3.130 -13.047 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.286 0.941 -12.025 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.697 1.621 -11.239 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.520 1.951 -14.242 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.015 -0.888 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.765 -0.993 -13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.113 2.379 -13.896 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.941 0.839 -13.645 1.00 0.00 H new ATOM 145 N TYR A 9 -12.404 4.908 -12.049 1.00 0.00 N ATOM 146 CA TYR A 9 -11.646 5.597 -13.140 1.00 0.00 C ATOM 147 C TYR A 9 -10.197 5.155 -13.152 1.00 0.00 C ATOM 148 O TYR A 9 -9.660 4.736 -14.157 1.00 0.00 O ATOM 149 CB TYR A 9 -11.687 7.080 -12.789 1.00 0.00 C ATOM 150 CG TYR A 9 -12.971 7.685 -13.302 1.00 0.00 C ATOM 151 CD1 TYR A 9 -14.189 7.357 -12.695 1.00 0.00 C ATOM 152 CD2 TYR A 9 -12.944 8.578 -14.381 1.00 0.00 C ATOM 153 CE1 TYR A 9 -15.380 7.918 -13.168 1.00 0.00 C ATOM 154 CE2 TYR A 9 -14.136 9.139 -14.853 1.00 0.00 C ATOM 155 CZ TYR A 9 -15.354 8.810 -14.245 1.00 0.00 C ATOM 156 OH TYR A 9 -16.530 9.363 -14.712 1.00 0.00 O ATOM 0 H TYR A 9 -12.793 5.522 -11.334 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.079 5.371 -14.114 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.617 7.211 -11.709 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.831 7.592 -13.228 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -14.209 6.671 -11.861 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -12.004 8.833 -14.848 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -16.320 7.662 -12.701 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.117 9.826 -15.686 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.334 9.962 -15.463 1.00 0.00 H new ATOM 166 N LEU A 10 -9.550 5.291 -12.038 1.00 0.00 N ATOM 167 CA LEU A 10 -8.120 4.933 -11.962 1.00 0.00 C ATOM 168 C LEU A 10 -7.903 3.438 -12.169 1.00 0.00 C ATOM 169 O LEU A 10 -6.895 3.022 -12.708 1.00 0.00 O ATOM 170 CB LEU A 10 -7.689 5.362 -10.566 1.00 0.00 C ATOM 171 CG LEU A 10 -6.466 6.242 -10.714 1.00 0.00 C ATOM 172 CD1 LEU A 10 -6.102 6.890 -9.380 1.00 0.00 C ATOM 173 CD2 LEU A 10 -5.318 5.358 -11.166 1.00 0.00 C ATOM 0 H LEU A 10 -9.956 5.638 -11.169 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.538 5.422 -12.743 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.492 5.904 -10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.462 4.491 -9.951 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.666 7.034 -11.436 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.220 7.518 -9.509 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.935 7.501 -9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.890 6.114 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.418 5.962 -11.283 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.141 4.583 -10.421 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.570 4.894 -12.119 1.00 0.00 H new ATOM 185 N ARG A 11 -8.825 2.624 -11.755 1.00 0.00 N ATOM 186 CA ARG A 11 -8.646 1.162 -11.943 1.00 0.00 C ATOM 187 C ARG A 11 -8.426 0.865 -13.427 1.00 0.00 C ATOM 188 O ARG A 11 -7.639 0.014 -13.793 1.00 0.00 O ATOM 189 CB ARG A 11 -9.945 0.527 -11.442 1.00 0.00 C ATOM 190 CG ARG A 11 -9.943 -0.972 -11.754 1.00 0.00 C ATOM 191 CD ARG A 11 -10.493 -1.200 -13.165 1.00 0.00 C ATOM 192 NE ARG A 11 -11.265 -2.470 -13.078 1.00 0.00 N ATOM 193 CZ ARG A 11 -11.959 -2.885 -14.103 1.00 0.00 C ATOM 194 NH1 ARG A 11 -11.372 -3.078 -15.252 1.00 0.00 N ATOM 195 NH2 ARG A 11 -13.240 -3.104 -13.981 1.00 0.00 N ATOM 0 H ARG A 11 -9.692 2.904 -11.296 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.784 0.770 -11.404 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.047 0.684 -10.368 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.801 1.006 -11.917 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.931 -1.369 -11.678 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.551 -1.507 -11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.129 -0.372 -13.479 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.687 -1.277 -13.895 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.252 -3.016 -12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.372 -2.905 -15.349 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.914 -3.402 -16.053 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.700 -2.951 -13.084 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.781 -3.428 -14.783 1.00 0.00 H new ATOM 209 N SER A 12 -9.112 1.571 -14.284 1.00 0.00 N ATOM 210 CA SER A 12 -8.938 1.339 -15.746 1.00 0.00 C ATOM 211 C SER A 12 -7.642 1.994 -16.238 1.00 0.00 C ATOM 212 O SER A 12 -6.992 1.501 -17.139 1.00 0.00 O ATOM 213 CB SER A 12 -10.152 2.000 -16.398 1.00 0.00 C ATOM 214 OG SER A 12 -11.302 1.193 -16.174 1.00 0.00 O ATOM 0 H SER A 12 -9.784 2.297 -14.036 1.00 0.00 H new ATOM 0 HA SER A 12 -8.869 0.279 -15.990 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.306 2.996 -15.982 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.983 2.124 -17.468 1.00 0.00 H new ATOM 0 HG SER A 12 -12.083 1.614 -16.589 1.00 0.00 H new ATOM 220 N LEU A 13 -7.264 3.107 -15.664 1.00 0.00 N ATOM 221 CA LEU A 13 -6.016 3.790 -16.114 1.00 0.00 C ATOM 222 C LEU A 13 -4.815 2.869 -15.988 1.00 0.00 C ATOM 223 O LEU A 13 -4.068 2.718 -16.920 1.00 0.00 O ATOM 224 CB LEU A 13 -5.851 4.974 -15.148 1.00 0.00 C ATOM 225 CG LEU A 13 -6.780 6.161 -15.490 1.00 0.00 C ATOM 226 CD1 LEU A 13 -5.955 7.280 -16.132 1.00 0.00 C ATOM 227 CD2 LEU A 13 -7.907 5.761 -16.451 1.00 0.00 C ATOM 0 H LEU A 13 -7.764 3.571 -14.906 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.080 4.093 -17.159 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.057 4.639 -14.131 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.815 5.312 -15.169 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.237 6.497 -14.560 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.607 8.119 -16.375 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.184 7.609 -15.435 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.486 6.909 -17.044 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.532 6.629 -16.660 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.477 5.390 -17.382 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.514 4.979 -15.995 1.00 0.00 H new ATOM 239 N ALA A 14 -4.633 2.265 -14.847 1.00 0.00 N ATOM 240 CA ALA A 14 -3.463 1.356 -14.635 1.00 0.00 C ATOM 241 C ALA A 14 -3.573 0.091 -15.497 1.00 0.00 C ATOM 242 O ALA A 14 -2.626 -0.659 -15.629 1.00 0.00 O ATOM 243 CB ALA A 14 -3.541 0.986 -13.154 1.00 0.00 C ATOM 0 H ALA A 14 -5.250 2.361 -14.041 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.523 1.833 -14.911 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.718 0.317 -12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.472 1.890 -12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.489 0.487 -12.953 1.00 0.00 H new ATOM 249 N HIS A 15 -4.717 -0.168 -16.067 1.00 0.00 N ATOM 250 CA HIS A 15 -4.870 -1.403 -16.895 1.00 0.00 C ATOM 251 C HIS A 15 -4.071 -1.298 -18.201 1.00 0.00 C ATOM 252 O HIS A 15 -3.390 -2.224 -18.594 1.00 0.00 O ATOM 253 CB HIS A 15 -6.368 -1.501 -17.191 1.00 0.00 C ATOM 254 CG HIS A 15 -6.880 -2.847 -16.751 1.00 0.00 C ATOM 255 ND1 HIS A 15 -8.232 -3.103 -16.580 1.00 0.00 N ATOM 256 CD2 HIS A 15 -6.236 -4.020 -16.444 1.00 0.00 C ATOM 257 CE1 HIS A 15 -8.356 -4.384 -16.187 1.00 0.00 C ATOM 258 NE2 HIS A 15 -7.170 -4.989 -16.089 1.00 0.00 N ATOM 0 H HIS A 15 -5.550 0.417 -15.998 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.493 -2.284 -16.375 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.905 -0.708 -16.671 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.549 -1.362 -18.257 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -8.994 -2.441 -16.726 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.167 -4.168 -16.473 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.300 -4.864 -15.976 1.00 0.00 H new ATOM 266 N ASN A 16 -4.156 -0.188 -18.884 1.00 0.00 N ATOM 267 CA ASN A 16 -3.405 -0.048 -20.169 1.00 0.00 C ATOM 268 C ASN A 16 -1.935 0.310 -19.916 1.00 0.00 C ATOM 269 O ASN A 16 -1.165 0.480 -20.841 1.00 0.00 O ATOM 270 CB ASN A 16 -4.108 1.088 -20.914 1.00 0.00 C ATOM 271 CG ASN A 16 -3.651 1.101 -22.374 1.00 0.00 C ATOM 272 OD1 ASN A 16 -2.650 1.705 -22.704 1.00 0.00 O ATOM 273 ND2 ASN A 16 -4.348 0.457 -23.270 1.00 0.00 N ATOM 0 H ASN A 16 -4.709 0.625 -18.611 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.401 -0.979 -20.736 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.189 0.957 -20.861 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.879 2.043 -20.442 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.052 0.461 -24.246 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.189 -0.051 -22.994 1.00 0.00 H new ATOM 280 N ILE A 17 -1.539 0.437 -18.680 1.00 0.00 N ATOM 281 CA ILE A 17 -0.129 0.794 -18.382 1.00 0.00 C ATOM 282 C ILE A 17 0.681 -0.472 -18.103 1.00 0.00 C ATOM 283 O ILE A 17 0.141 -1.553 -17.983 1.00 0.00 O ATOM 284 CB ILE A 17 -0.162 1.681 -17.138 1.00 0.00 C ATOM 285 CG1 ILE A 17 -1.495 2.453 -17.055 1.00 0.00 C ATOM 286 CG2 ILE A 17 0.996 2.651 -17.236 1.00 0.00 C ATOM 287 CD1 ILE A 17 -1.405 3.634 -16.087 1.00 0.00 C ATOM 0 H ILE A 17 -2.135 0.308 -17.863 1.00 0.00 H new ATOM 0 HA ILE A 17 0.337 1.309 -19.222 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.078 1.070 -16.239 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.768 2.815 -18.046 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.287 1.778 -16.732 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.001 3.301 -16.361 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.933 2.096 -17.281 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.889 3.256 -18.136 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.363 4.153 -16.056 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.157 3.269 -15.090 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.630 4.323 -16.424 1.00 0.00 H new ATOM 299 N ASP A 18 1.973 -0.348 -18.006 1.00 0.00 N ATOM 300 CA ASP A 18 2.818 -1.548 -17.744 1.00 0.00 C ATOM 301 C ASP A 18 3.404 -1.529 -16.316 1.00 0.00 C ATOM 302 O ASP A 18 3.803 -0.490 -15.829 1.00 0.00 O ATOM 303 CB ASP A 18 3.938 -1.464 -18.781 1.00 0.00 C ATOM 304 CG ASP A 18 3.459 -2.070 -20.101 1.00 0.00 C ATOM 305 OD1 ASP A 18 2.271 -1.995 -20.369 1.00 0.00 O ATOM 306 OD2 ASP A 18 4.289 -2.602 -20.821 1.00 0.00 O ATOM 0 H ASP A 18 2.482 0.531 -18.096 1.00 0.00 H new ATOM 0 HA ASP A 18 2.241 -2.470 -17.819 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.232 -0.425 -18.931 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.820 -1.996 -18.423 1.00 0.00 H new ATOM 311 N PRO A 19 3.472 -2.696 -15.709 1.00 0.00 N ATOM 312 CA PRO A 19 4.056 -2.824 -14.346 1.00 0.00 C ATOM 313 C PRO A 19 5.583 -2.698 -14.431 1.00 0.00 C ATOM 314 O PRO A 19 6.212 -3.262 -15.304 1.00 0.00 O ATOM 315 CB PRO A 19 3.639 -4.225 -13.905 1.00 0.00 C ATOM 316 CG PRO A 19 3.394 -4.984 -15.166 1.00 0.00 C ATOM 317 CD PRO A 19 3.011 -3.990 -16.230 1.00 0.00 C ATOM 0 HA PRO A 19 3.719 -2.057 -13.648 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.420 -4.697 -13.308 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.742 -4.191 -13.287 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.287 -5.535 -15.461 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.600 -5.717 -15.023 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.485 -4.226 -17.183 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.935 -3.988 -16.402 1.00 0.00 H new ATOM 325 N ILE A 20 6.184 -1.971 -13.529 1.00 0.00 N ATOM 326 CA ILE A 20 7.674 -1.828 -13.571 1.00 0.00 C ATOM 327 C ILE A 20 8.316 -2.504 -12.347 1.00 0.00 C ATOM 328 O ILE A 20 9.511 -2.720 -12.306 1.00 0.00 O ATOM 329 CB ILE A 20 7.990 -0.320 -13.654 1.00 0.00 C ATOM 330 CG1 ILE A 20 7.721 0.390 -12.321 1.00 0.00 C ATOM 331 CG2 ILE A 20 7.174 0.319 -14.781 1.00 0.00 C ATOM 332 CD1 ILE A 20 6.223 0.585 -12.067 1.00 0.00 C ATOM 0 H ILE A 20 5.717 -1.473 -12.771 1.00 0.00 H new ATOM 0 HA ILE A 20 8.096 -2.329 -14.442 1.00 0.00 H new ATOM 0 HB ILE A 20 9.052 -0.207 -13.871 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.154 -0.191 -11.507 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.218 1.360 -12.320 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.401 1.384 -14.836 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.429 -0.155 -15.729 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.111 0.184 -14.582 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.079 1.091 -11.113 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.794 1.189 -12.867 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.729 -0.386 -12.041 1.00 0.00 H new ATOM 344 N PHE A 21 7.525 -2.897 -11.379 1.00 0.00 N ATOM 345 CA PHE A 21 8.081 -3.626 -10.196 1.00 0.00 C ATOM 346 C PHE A 21 7.565 -5.067 -10.239 1.00 0.00 C ATOM 347 O PHE A 21 6.408 -5.312 -10.536 1.00 0.00 O ATOM 348 CB PHE A 21 7.581 -2.944 -8.902 1.00 0.00 C ATOM 349 CG PHE A 21 6.441 -1.976 -9.150 1.00 0.00 C ATOM 350 CD1 PHE A 21 5.204 -2.437 -9.601 1.00 0.00 C ATOM 351 CD2 PHE A 21 6.629 -0.615 -8.912 1.00 0.00 C ATOM 352 CE1 PHE A 21 4.164 -1.531 -9.823 1.00 0.00 C ATOM 353 CE2 PHE A 21 5.585 0.290 -9.130 1.00 0.00 C ATOM 354 CZ PHE A 21 4.353 -0.170 -9.587 1.00 0.00 C ATOM 0 H PHE A 21 6.517 -2.744 -11.357 1.00 0.00 H new ATOM 0 HA PHE A 21 9.171 -3.612 -10.216 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.255 -3.708 -8.197 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.409 -2.411 -8.435 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.051 -3.491 -9.778 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.585 -0.258 -8.558 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.209 -1.887 -10.179 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.734 1.343 -8.944 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.545 0.526 -9.758 1.00 0.00 H new ATOM 364 N GLN A 22 8.410 -6.024 -9.973 1.00 0.00 N ATOM 365 CA GLN A 22 7.958 -7.443 -10.033 1.00 0.00 C ATOM 366 C GLN A 22 7.992 -8.105 -8.657 1.00 0.00 C ATOM 367 O GLN A 22 8.973 -8.049 -7.942 1.00 0.00 O ATOM 368 CB GLN A 22 8.944 -8.127 -10.977 1.00 0.00 C ATOM 369 CG GLN A 22 8.231 -9.252 -11.730 1.00 0.00 C ATOM 370 CD GLN A 22 8.397 -9.040 -13.236 1.00 0.00 C ATOM 371 OE1 GLN A 22 7.707 -8.233 -13.826 1.00 0.00 O ATOM 372 NE2 GLN A 22 9.290 -9.735 -13.886 1.00 0.00 N ATOM 0 H GLN A 22 9.388 -5.887 -9.718 1.00 0.00 H new ATOM 0 HA GLN A 22 6.926 -7.518 -10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.350 -7.403 -11.683 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.786 -8.529 -10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.644 -10.218 -11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.173 -9.266 -11.468 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.869 -10.412 -13.390 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.409 -9.601 -14.890 1.00 0.00 H new ATOM 381 N ILE A 23 6.922 -8.756 -8.303 1.00 0.00 N ATOM 382 CA ILE A 23 6.853 -9.465 -6.998 1.00 0.00 C ATOM 383 C ILE A 23 7.359 -10.896 -7.203 1.00 0.00 C ATOM 384 O ILE A 23 7.068 -11.512 -8.208 1.00 0.00 O ATOM 385 CB ILE A 23 5.354 -9.426 -6.641 1.00 0.00 C ATOM 386 CG1 ILE A 23 5.068 -8.172 -5.799 1.00 0.00 C ATOM 387 CG2 ILE A 23 4.897 -10.697 -5.878 1.00 0.00 C ATOM 388 CD1 ILE A 23 5.615 -8.349 -4.382 1.00 0.00 C ATOM 0 H ILE A 23 6.079 -8.828 -8.872 1.00 0.00 H new ATOM 0 HA ILE A 23 7.458 -9.026 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 23 4.787 -9.393 -7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.525 -7.300 -6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.994 -7.988 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.834 -10.621 -5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.073 -11.576 -6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.462 -10.787 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.406 -7.454 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.138 -9.209 -3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.692 -8.510 -4.425 1.00 0.00 H new ATOM 400 N GLY A 24 8.091 -11.430 -6.265 1.00 0.00 N ATOM 401 CA GLY A 24 8.592 -12.824 -6.422 1.00 0.00 C ATOM 402 C GLY A 24 7.502 -13.805 -6.000 1.00 0.00 C ATOM 403 O GLY A 24 6.644 -13.487 -5.200 1.00 0.00 O ATOM 0 H GLY A 24 8.363 -10.964 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.878 -13.005 -7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.485 -12.972 -5.814 1.00 0.00 H new ATOM 407 N LYS A 25 7.523 -14.996 -6.531 1.00 0.00 N ATOM 408 CA LYS A 25 6.480 -15.985 -6.150 1.00 0.00 C ATOM 409 C LYS A 25 6.667 -16.404 -4.693 1.00 0.00 C ATOM 410 O LYS A 25 7.765 -16.672 -4.248 1.00 0.00 O ATOM 411 CB LYS A 25 6.681 -17.171 -7.094 1.00 0.00 C ATOM 412 CG LYS A 25 5.647 -18.256 -6.782 1.00 0.00 C ATOM 413 CD LYS A 25 5.289 -19.003 -8.070 1.00 0.00 C ATOM 414 CE LYS A 25 4.197 -20.038 -7.778 1.00 0.00 C ATOM 415 NZ LYS A 25 4.043 -20.801 -9.048 1.00 0.00 N ATOM 0 H LYS A 25 8.212 -15.324 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 25 5.472 -15.579 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.581 -16.846 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.689 -17.571 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.045 -18.952 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.753 -17.808 -6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.943 -18.299 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.173 -19.496 -8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.484 -20.693 -6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.262 -19.556 -7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.311 -21.530 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.764 -20.152 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.947 -21.254 -9.293 1.00 0.00 H new ATOM 429 N GLY A 26 5.603 -16.446 -3.945 1.00 0.00 N ATOM 430 CA GLY A 26 5.713 -16.830 -2.513 1.00 0.00 C ATOM 431 C GLY A 26 4.981 -15.792 -1.666 1.00 0.00 C ATOM 432 O GLY A 26 4.154 -16.121 -0.840 1.00 0.00 O ATOM 0 H GLY A 26 4.659 -16.230 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.282 -17.819 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.761 -16.887 -2.217 1.00 0.00 H new ATOM 436 N GLY A 27 5.275 -14.534 -1.867 1.00 0.00 N ATOM 437 CA GLY A 27 4.593 -13.476 -1.081 1.00 0.00 C ATOM 438 C GLY A 27 5.334 -12.166 -1.297 1.00 0.00 C ATOM 439 O GLY A 27 6.486 -12.156 -1.684 1.00 0.00 O ATOM 0 H GLY A 27 5.960 -14.198 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.554 -13.380 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.583 -13.736 -0.023 1.00 0.00 H new ATOM 443 N ILE A 28 4.692 -11.059 -1.067 1.00 0.00 N ATOM 444 CA ILE A 28 5.388 -9.766 -1.282 1.00 0.00 C ATOM 445 C ILE A 28 6.464 -9.565 -0.209 1.00 0.00 C ATOM 446 O ILE A 28 6.173 -9.447 0.965 1.00 0.00 O ATOM 447 CB ILE A 28 4.288 -8.705 -1.164 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.387 -8.773 -2.396 1.00 0.00 C ATOM 449 CG2 ILE A 28 4.907 -7.307 -1.074 1.00 0.00 C ATOM 450 CD1 ILE A 28 1.926 -8.726 -1.958 1.00 0.00 C ATOM 0 H ILE A 28 3.727 -10.993 -0.743 1.00 0.00 H new ATOM 0 HA ILE A 28 5.895 -9.716 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 28 3.706 -8.898 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.604 -7.941 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.582 -9.690 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.115 -6.563 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.552 -7.250 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.496 -7.111 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.281 -8.774 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.714 -9.573 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.737 -7.797 -1.420 1.00 0.00 H new ATOM 462 N ASN A 29 7.701 -9.513 -0.611 1.00 0.00 N ATOM 463 CA ASN A 29 8.804 -9.303 0.375 1.00 0.00 C ATOM 464 C ASN A 29 9.219 -7.826 0.379 1.00 0.00 C ATOM 465 O ASN A 29 9.041 -7.126 -0.597 1.00 0.00 O ATOM 466 CB ASN A 29 9.952 -10.183 -0.123 1.00 0.00 C ATOM 467 CG ASN A 29 10.754 -10.698 1.073 1.00 0.00 C ATOM 468 OD1 ASN A 29 10.236 -11.422 1.900 1.00 0.00 O ATOM 469 ND2 ASN A 29 12.006 -10.353 1.201 1.00 0.00 N ATOM 0 H ASN A 29 8.000 -9.607 -1.582 1.00 0.00 H new ATOM 0 HA ASN A 29 8.511 -9.559 1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.559 -11.021 -0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.599 -9.613 -0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.550 -10.691 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.441 -9.745 0.507 1.00 0.00 H new ATOM 476 N GLU A 30 9.774 -7.339 1.463 1.00 0.00 N ATOM 477 CA GLU A 30 10.191 -5.903 1.491 1.00 0.00 C ATOM 478 C GLU A 30 11.107 -5.612 0.304 1.00 0.00 C ATOM 479 O GLU A 30 11.017 -4.575 -0.309 1.00 0.00 O ATOM 480 CB GLU A 30 10.946 -5.704 2.805 1.00 0.00 C ATOM 481 CG GLU A 30 11.507 -4.277 2.855 1.00 0.00 C ATOM 482 CD GLU A 30 12.225 -4.057 4.189 1.00 0.00 C ATOM 483 OE1 GLU A 30 11.552 -4.044 5.206 1.00 0.00 O ATOM 484 OE2 GLU A 30 13.435 -3.908 4.169 1.00 0.00 O ATOM 0 H GLU A 30 9.954 -7.866 2.318 1.00 0.00 H new ATOM 0 HA GLU A 30 9.335 -5.231 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.280 -5.875 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.756 -6.429 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.198 -4.117 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.700 -3.553 2.741 1.00 0.00 H new ATOM 491 N ASN A 31 11.982 -6.522 -0.038 1.00 0.00 N ATOM 492 CA ASN A 31 12.881 -6.277 -1.206 1.00 0.00 C ATOM 493 C ASN A 31 12.024 -5.884 -2.411 1.00 0.00 C ATOM 494 O ASN A 31 12.360 -5.000 -3.178 1.00 0.00 O ATOM 495 CB ASN A 31 13.585 -7.610 -1.456 1.00 0.00 C ATOM 496 CG ASN A 31 14.584 -7.880 -0.330 1.00 0.00 C ATOM 497 OD1 ASN A 31 15.094 -6.961 0.279 1.00 0.00 O ATOM 498 ND2 ASN A 31 14.888 -9.112 -0.026 1.00 0.00 N ATOM 0 H ASN A 31 12.113 -7.416 0.435 1.00 0.00 H new ATOM 0 HA ASN A 31 13.601 -5.477 -1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.853 -8.416 -1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.101 -7.586 -2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.554 -9.303 0.723 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.460 -9.884 -0.537 1.00 0.00 H new ATOM 505 N MET A 32 10.899 -6.522 -2.554 1.00 0.00 N ATOM 506 CA MET A 32 9.987 -6.183 -3.672 1.00 0.00 C ATOM 507 C MET A 32 9.374 -4.810 -3.406 1.00 0.00 C ATOM 508 O MET A 32 9.302 -3.970 -4.281 1.00 0.00 O ATOM 509 CB MET A 32 8.917 -7.274 -3.646 1.00 0.00 C ATOM 510 CG MET A 32 9.205 -8.313 -4.733 1.00 0.00 C ATOM 511 SD MET A 32 10.864 -9.003 -4.513 1.00 0.00 S ATOM 512 CE MET A 32 10.854 -10.066 -5.976 1.00 0.00 C ATOM 0 H MET A 32 10.572 -7.268 -1.940 1.00 0.00 H new ATOM 0 HA MET A 32 10.485 -6.139 -4.641 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.899 -7.754 -2.668 1.00 0.00 H new ATOM 0 HB3 MET A 32 7.932 -6.834 -3.803 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.463 -9.110 -4.690 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.122 -7.853 -5.718 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.718 -11.104 -5.671 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.037 -9.771 -6.634 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.801 -9.965 -6.506 1.00 0.00 H new ATOM 522 N ILE A 33 8.945 -4.568 -2.194 1.00 0.00 N ATOM 523 CA ILE A 33 8.355 -3.241 -1.875 1.00 0.00 C ATOM 524 C ILE A 33 9.442 -2.172 -1.923 1.00 0.00 C ATOM 525 O ILE A 33 9.179 -1.022 -2.190 1.00 0.00 O ATOM 526 CB ILE A 33 7.791 -3.356 -0.469 1.00 0.00 C ATOM 527 CG1 ILE A 33 6.689 -4.413 -0.459 1.00 0.00 C ATOM 528 CG2 ILE A 33 7.207 -1.999 -0.061 1.00 0.00 C ATOM 529 CD1 ILE A 33 6.169 -4.588 0.963 1.00 0.00 C ATOM 0 H ILE A 33 8.979 -5.229 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 33 7.580 -2.960 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 33 8.575 -3.644 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.876 -4.113 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.075 -5.360 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.798 -2.067 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.992 -1.243 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.415 -1.720 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.382 -5.342 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.985 -4.906 1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.768 -3.641 1.323 1.00 0.00 H new ATOM 541 N LYS A 34 10.669 -2.541 -1.671 1.00 0.00 N ATOM 542 CA LYS A 34 11.765 -1.538 -1.717 1.00 0.00 C ATOM 543 C LYS A 34 11.754 -0.880 -3.097 1.00 0.00 C ATOM 544 O LYS A 34 11.753 0.330 -3.228 1.00 0.00 O ATOM 545 CB LYS A 34 13.051 -2.333 -1.499 1.00 0.00 C ATOM 546 CG LYS A 34 13.243 -2.592 -0.003 1.00 0.00 C ATOM 547 CD LYS A 34 14.656 -2.182 0.407 1.00 0.00 C ATOM 548 CE LYS A 34 15.617 -3.348 0.164 1.00 0.00 C ATOM 549 NZ LYS A 34 16.497 -3.375 1.365 1.00 0.00 N ATOM 0 H LYS A 34 10.957 -3.491 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 34 11.665 -0.752 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.003 -3.278 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.904 -1.782 -1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.508 -2.029 0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.080 -3.647 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.973 -1.310 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.672 -1.897 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.077 -4.288 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.196 -3.199 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.185 -4.149 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.003 -2.470 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.918 -3.525 2.216 1.00 0.00 H new ATOM 563 N GLN A 35 11.709 -1.683 -4.127 1.00 0.00 N ATOM 564 CA GLN A 35 11.659 -1.125 -5.507 1.00 0.00 C ATOM 565 C GLN A 35 10.283 -0.495 -5.740 1.00 0.00 C ATOM 566 O GLN A 35 10.171 0.653 -6.119 1.00 0.00 O ATOM 567 CB GLN A 35 11.864 -2.325 -6.432 1.00 0.00 C ATOM 568 CG GLN A 35 12.184 -1.833 -7.845 1.00 0.00 C ATOM 569 CD GLN A 35 11.529 -2.762 -8.868 1.00 0.00 C ATOM 570 OE1 GLN A 35 11.073 -2.320 -9.904 1.00 0.00 O ATOM 571 NE2 GLN A 35 11.463 -4.042 -8.621 1.00 0.00 N ATOM 0 H GLN A 35 11.705 -2.701 -4.071 1.00 0.00 H new ATOM 0 HA GLN A 35 12.411 -0.355 -5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.677 -2.949 -6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.967 -2.944 -6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.821 -0.814 -7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.263 -1.809 -7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.845 -4.414 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.029 -4.670 -9.297 1.00 0.00 H new ATOM 580 N ILE A 36 9.233 -1.238 -5.500 1.00 0.00 N ATOM 581 CA ILE A 36 7.859 -0.683 -5.692 1.00 0.00 C ATOM 582 C ILE A 36 7.719 0.637 -4.921 1.00 0.00 C ATOM 583 O ILE A 36 7.090 1.572 -5.370 1.00 0.00 O ATOM 584 CB ILE A 36 6.924 -1.734 -5.096 1.00 0.00 C ATOM 585 CG1 ILE A 36 6.945 -2.975 -5.977 1.00 0.00 C ATOM 586 CG2 ILE A 36 5.492 -1.190 -5.028 1.00 0.00 C ATOM 587 CD1 ILE A 36 6.505 -4.185 -5.161 1.00 0.00 C ATOM 0 H ILE A 36 9.268 -2.206 -5.179 1.00 0.00 H new ATOM 0 HA ILE A 36 7.637 -0.478 -6.739 1.00 0.00 H new ATOM 0 HB ILE A 36 7.260 -1.982 -4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.282 -2.839 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.947 -3.136 -6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.835 -1.948 -4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.471 -0.298 -4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.151 -0.937 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.520 -5.074 -5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.186 -4.324 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.494 -4.023 -4.786 1.00 0.00 H new ATOM 599 N ASP A 37 8.289 0.693 -3.746 1.00 0.00 N ATOM 600 CA ASP A 37 8.188 1.918 -2.899 1.00 0.00 C ATOM 601 C ASP A 37 8.662 3.159 -3.666 1.00 0.00 C ATOM 602 O ASP A 37 7.932 4.117 -3.827 1.00 0.00 O ATOM 603 CB ASP A 37 9.112 1.649 -1.707 1.00 0.00 C ATOM 604 CG ASP A 37 9.186 2.895 -0.820 1.00 0.00 C ATOM 605 OD1 ASP A 37 8.276 3.094 -0.031 1.00 0.00 O ATOM 606 OD2 ASP A 37 10.153 3.629 -0.944 1.00 0.00 O ATOM 0 H ASP A 37 8.827 -0.068 -3.332 1.00 0.00 H new ATOM 0 HA ASP A 37 7.160 2.114 -2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.740 0.802 -1.130 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.108 1.382 -2.060 1.00 0.00 H new ATOM 611 N ASP A 38 9.883 3.152 -4.132 1.00 0.00 N ATOM 612 CA ASP A 38 10.404 4.336 -4.877 1.00 0.00 C ATOM 613 C ASP A 38 9.644 4.508 -6.193 1.00 0.00 C ATOM 614 O ASP A 38 9.411 5.610 -6.653 1.00 0.00 O ATOM 615 CB ASP A 38 11.875 4.019 -5.148 1.00 0.00 C ATOM 616 CG ASP A 38 12.742 5.191 -4.687 1.00 0.00 C ATOM 617 OD1 ASP A 38 12.828 6.163 -5.420 1.00 0.00 O ATOM 618 OD2 ASP A 38 13.308 5.098 -3.611 1.00 0.00 O ATOM 0 H ASP A 38 10.541 2.379 -4.029 1.00 0.00 H new ATOM 0 HA ASP A 38 10.283 5.262 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.165 3.109 -4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.029 3.835 -6.211 1.00 0.00 H new ATOM 623 N THR A 39 9.254 3.423 -6.798 1.00 0.00 N ATOM 624 CA THR A 39 8.506 3.506 -8.084 1.00 0.00 C ATOM 625 C THR A 39 7.166 4.216 -7.884 1.00 0.00 C ATOM 626 O THR A 39 6.843 5.163 -8.573 1.00 0.00 O ATOM 627 CB THR A 39 8.272 2.064 -8.468 1.00 0.00 C ATOM 628 OG1 THR A 39 9.483 1.335 -8.329 1.00 0.00 O ATOM 629 CG2 THR A 39 7.811 2.017 -9.910 1.00 0.00 C ATOM 0 H THR A 39 9.421 2.477 -6.456 1.00 0.00 H new ATOM 0 HA THR A 39 9.050 4.067 -8.844 1.00 0.00 H new ATOM 0 HB THR A 39 7.514 1.622 -7.821 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.456 0.810 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.638 0.982 -10.203 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.886 2.584 -10.015 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.578 2.452 -10.551 1.00 0.00 H new ATOM 637 N LEU A 40 6.384 3.758 -6.946 1.00 0.00 N ATOM 638 CA LEU A 40 5.060 4.397 -6.695 1.00 0.00 C ATOM 639 C LEU A 40 5.246 5.716 -5.943 1.00 0.00 C ATOM 640 O LEU A 40 4.482 6.648 -6.099 1.00 0.00 O ATOM 641 CB LEU A 40 4.287 3.389 -5.839 1.00 0.00 C ATOM 642 CG LEU A 40 4.986 3.207 -4.488 1.00 0.00 C ATOM 643 CD1 LEU A 40 4.477 4.258 -3.500 1.00 0.00 C ATOM 644 CD2 LEU A 40 4.683 1.809 -3.946 1.00 0.00 C ATOM 0 H LEU A 40 6.605 2.967 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 40 4.531 4.632 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.265 3.737 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.223 2.432 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 40 6.062 3.325 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.976 4.126 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.691 5.254 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.401 4.143 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.179 1.676 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.607 1.694 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.047 1.060 -4.649 1.00 0.00 H new ATOM 656 N GLU A 41 6.259 5.799 -5.126 1.00 0.00 N ATOM 657 CA GLU A 41 6.503 7.055 -4.363 1.00 0.00 C ATOM 658 C GLU A 41 6.629 8.236 -5.334 1.00 0.00 C ATOM 659 O GLU A 41 6.302 9.360 -5.007 1.00 0.00 O ATOM 660 CB GLU A 41 7.817 6.801 -3.614 1.00 0.00 C ATOM 661 CG GLU A 41 8.356 8.110 -3.031 1.00 0.00 C ATOM 662 CD GLU A 41 9.390 8.707 -3.988 1.00 0.00 C ATOM 663 OE1 GLU A 41 9.372 8.341 -5.152 1.00 0.00 O ATOM 664 OE2 GLU A 41 10.182 9.520 -3.543 1.00 0.00 O ATOM 0 H GLU A 41 6.930 5.050 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 41 5.693 7.305 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.654 6.078 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.552 6.367 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.539 8.815 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.809 7.927 -2.057 1.00 0.00 H new ATOM 671 N ASN A 42 7.104 7.989 -6.525 1.00 0.00 N ATOM 672 CA ASN A 42 7.252 9.094 -7.515 1.00 0.00 C ATOM 673 C ASN A 42 6.061 9.111 -8.480 1.00 0.00 C ATOM 674 O ASN A 42 5.723 10.132 -9.045 1.00 0.00 O ATOM 675 CB ASN A 42 8.544 8.775 -8.267 1.00 0.00 C ATOM 676 CG ASN A 42 9.693 9.590 -7.672 1.00 0.00 C ATOM 677 OD1 ASN A 42 9.520 10.272 -6.681 1.00 0.00 O ATOM 678 ND2 ASN A 42 10.869 9.546 -8.236 1.00 0.00 N ATOM 0 H ASN A 42 7.396 7.069 -6.855 1.00 0.00 H new ATOM 0 HA ASN A 42 7.284 10.073 -7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.765 7.710 -8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.429 9.008 -9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.643 10.084 -7.845 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.015 8.974 -9.068 1.00 0.00 H new ATOM 685 N ARG A 43 5.427 7.987 -8.675 1.00 0.00 N ATOM 686 CA ARG A 43 4.262 7.938 -9.607 1.00 0.00 C ATOM 687 C ARG A 43 2.947 7.977 -8.822 1.00 0.00 C ATOM 688 O ARG A 43 2.935 7.924 -7.608 1.00 0.00 O ATOM 689 CB ARG A 43 4.406 6.607 -10.346 1.00 0.00 C ATOM 690 CG ARG A 43 4.724 6.867 -11.821 1.00 0.00 C ATOM 691 CD ARG A 43 6.151 7.404 -11.954 1.00 0.00 C ATOM 692 NE ARG A 43 6.000 8.726 -12.623 1.00 0.00 N ATOM 693 CZ ARG A 43 6.644 8.974 -13.729 1.00 0.00 C ATOM 694 NH1 ARG A 43 6.448 8.226 -14.780 1.00 0.00 N ATOM 695 NH2 ARG A 43 7.482 9.974 -13.788 1.00 0.00 N ATOM 0 H ARG A 43 5.664 7.100 -8.230 1.00 0.00 H new ATOM 0 HA ARG A 43 4.245 8.787 -10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.199 6.012 -9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.485 6.030 -10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.617 5.946 -12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.015 7.584 -12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.627 7.506 -10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.773 6.731 -12.544 1.00 0.00 H new ATOM 0 HE ARG A 43 5.393 9.437 -12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.791 7.447 -14.736 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.952 8.420 -15.645 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.633 10.562 -12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.985 10.167 -14.654 1.00 0.00 H new ATOM 709 N GLU A 44 1.840 8.069 -9.508 1.00 0.00 N ATOM 710 CA GLU A 44 0.524 8.111 -8.804 1.00 0.00 C ATOM 711 C GLU A 44 -0.230 6.795 -9.016 1.00 0.00 C ATOM 712 O GLU A 44 -0.853 6.273 -8.113 1.00 0.00 O ATOM 713 CB GLU A 44 -0.230 9.275 -9.448 1.00 0.00 C ATOM 714 CG GLU A 44 0.463 10.590 -9.086 1.00 0.00 C ATOM 715 CD GLU A 44 0.125 10.960 -7.642 1.00 0.00 C ATOM 716 OE1 GLU A 44 -0.972 10.643 -7.212 1.00 0.00 O ATOM 717 OE2 GLU A 44 0.967 11.554 -6.990 1.00 0.00 O ATOM 0 H GLU A 44 1.789 8.117 -10.526 1.00 0.00 H new ATOM 0 HA GLU A 44 0.633 8.243 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.257 9.151 -10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.264 9.289 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.542 10.490 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.140 11.382 -9.761 1.00 0.00 H new ATOM 724 N LEU A 45 -0.170 6.250 -10.199 1.00 0.00 N ATOM 725 CA LEU A 45 -0.871 4.962 -10.465 1.00 0.00 C ATOM 726 C LEU A 45 0.160 3.844 -10.601 1.00 0.00 C ATOM 727 O LEU A 45 1.028 3.892 -11.450 1.00 0.00 O ATOM 728 CB LEU A 45 -1.622 5.170 -11.784 1.00 0.00 C ATOM 729 CG LEU A 45 -2.390 3.893 -12.165 1.00 0.00 C ATOM 730 CD1 LEU A 45 -3.216 3.399 -10.971 1.00 0.00 C ATOM 731 CD2 LEU A 45 -3.336 4.207 -13.331 1.00 0.00 C ATOM 0 H LEU A 45 0.335 6.641 -10.994 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.553 4.683 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.316 6.005 -11.688 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.918 5.429 -12.575 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.678 3.120 -12.454 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.756 2.495 -11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.552 3.181 -10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.928 4.170 -10.677 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.884 3.306 -13.607 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.040 4.983 -13.030 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.757 4.556 -14.186 1.00 0.00 H new ATOM 743 N ILE A 46 0.087 2.843 -9.768 1.00 0.00 N ATOM 744 CA ILE A 46 1.088 1.740 -9.862 1.00 0.00 C ATOM 745 C ILE A 46 0.423 0.399 -10.170 1.00 0.00 C ATOM 746 O ILE A 46 -0.310 -0.155 -9.376 1.00 0.00 O ATOM 747 CB ILE A 46 1.831 1.674 -8.514 1.00 0.00 C ATOM 748 CG1 ILE A 46 0.924 2.106 -7.351 1.00 0.00 C ATOM 749 CG2 ILE A 46 3.059 2.585 -8.576 1.00 0.00 C ATOM 750 CD1 ILE A 46 1.575 1.712 -6.024 1.00 0.00 C ATOM 0 H ILE A 46 -0.613 2.740 -9.034 1.00 0.00 H new ATOM 0 HA ILE A 46 1.780 1.941 -10.680 1.00 0.00 H new ATOM 0 HB ILE A 46 2.134 0.642 -8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.762 3.183 -7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.054 1.633 -7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.591 2.544 -7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.720 2.251 -9.376 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.742 3.610 -8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.932 2.018 -5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.715 0.631 -5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.543 2.205 -5.933 1.00 0.00 H new ATOM 762 N LYS A 47 0.736 -0.141 -11.312 1.00 0.00 N ATOM 763 CA LYS A 47 0.200 -1.484 -11.704 1.00 0.00 C ATOM 764 C LYS A 47 1.317 -2.480 -11.415 1.00 0.00 C ATOM 765 O LYS A 47 2.310 -2.493 -12.103 1.00 0.00 O ATOM 766 CB LYS A 47 -0.104 -1.468 -13.227 1.00 0.00 C ATOM 767 CG LYS A 47 0.752 -0.441 -13.990 1.00 0.00 C ATOM 768 CD LYS A 47 0.123 0.954 -13.875 1.00 0.00 C ATOM 769 CE LYS A 47 1.125 2.007 -14.360 1.00 0.00 C ATOM 770 NZ LYS A 47 1.982 2.307 -13.181 1.00 0.00 N ATOM 0 H LYS A 47 1.348 0.292 -12.004 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.711 -1.742 -11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.073 -2.461 -13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.159 -1.242 -13.381 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.764 -0.427 -13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.831 -0.728 -15.039 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.789 1.004 -14.469 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.159 1.154 -12.841 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.719 1.630 -15.192 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.614 2.903 -14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.703 3.009 -13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.394 2.687 -12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.449 1.435 -12.861 1.00 0.00 H new ATOM 784 N VAL A 48 1.227 -3.257 -10.374 1.00 0.00 N ATOM 785 CA VAL A 48 2.355 -4.163 -10.048 1.00 0.00 C ATOM 786 C VAL A 48 2.063 -5.601 -10.480 1.00 0.00 C ATOM 787 O VAL A 48 0.952 -6.058 -10.396 1.00 0.00 O ATOM 788 CB VAL A 48 2.453 -4.126 -8.513 1.00 0.00 C ATOM 789 CG1 VAL A 48 3.782 -4.715 -8.094 1.00 0.00 C ATOM 790 CG2 VAL A 48 2.343 -2.695 -7.952 1.00 0.00 C ATOM 0 H VAL A 48 0.428 -3.303 -9.741 1.00 0.00 H new ATOM 0 HA VAL A 48 3.267 -3.850 -10.557 1.00 0.00 H new ATOM 0 HB VAL A 48 1.620 -4.704 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.863 -4.694 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.850 -5.745 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.592 -4.131 -8.529 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.418 -2.724 -6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.150 -2.083 -8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.383 -2.265 -8.238 1.00 0.00 H new ATOM 800 N HIS A 49 3.059 -6.331 -10.905 1.00 0.00 N ATOM 801 CA HIS A 49 2.815 -7.753 -11.302 1.00 0.00 C ATOM 802 C HIS A 49 3.131 -8.673 -10.117 1.00 0.00 C ATOM 803 O HIS A 49 4.135 -8.515 -9.452 1.00 0.00 O ATOM 804 CB HIS A 49 3.772 -8.015 -12.466 1.00 0.00 C ATOM 805 CG HIS A 49 3.199 -9.086 -13.353 1.00 0.00 C ATOM 806 ND1 HIS A 49 2.480 -8.790 -14.499 1.00 0.00 N ATOM 807 CD2 HIS A 49 3.232 -10.457 -13.275 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.113 -9.956 -15.061 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.546 -11.003 -14.355 1.00 0.00 N ATOM 0 H HIS A 49 4.023 -6.011 -10.995 1.00 0.00 H new ATOM 0 HA HIS A 49 1.780 -7.939 -11.590 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.927 -7.099 -13.037 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.746 -8.324 -12.088 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.717 -11.024 -12.494 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.538 -10.035 -15.972 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.404 -11.991 -14.563 1.00 0.00 H new ATOM 817 N VAL A 50 2.275 -9.622 -9.833 1.00 0.00 N ATOM 818 CA VAL A 50 2.526 -10.532 -8.674 1.00 0.00 C ATOM 819 C VAL A 50 2.797 -11.954 -9.136 1.00 0.00 C ATOM 820 O VAL A 50 2.086 -12.515 -9.945 1.00 0.00 O ATOM 821 CB VAL A 50 1.251 -10.454 -7.827 1.00 0.00 C ATOM 822 CG1 VAL A 50 1.276 -11.524 -6.730 1.00 0.00 C ATOM 823 CG2 VAL A 50 1.162 -9.073 -7.181 1.00 0.00 C ATOM 0 H VAL A 50 1.416 -9.806 -10.352 1.00 0.00 H new ATOM 0 HA VAL A 50 3.409 -10.235 -8.108 1.00 0.00 H new ATOM 0 HB VAL A 50 0.386 -10.624 -8.469 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.365 -11.457 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.340 -12.512 -7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.141 -11.365 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.257 -9.011 -6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.033 -8.911 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.132 -8.309 -7.958 1.00 0.00 H new ATOM 833 N LEU A 51 3.845 -12.530 -8.622 1.00 0.00 N ATOM 834 CA LEU A 51 4.211 -13.910 -9.010 1.00 0.00 C ATOM 835 C LEU A 51 3.421 -14.962 -8.212 1.00 0.00 C ATOM 836 O LEU A 51 3.948 -15.999 -7.864 1.00 0.00 O ATOM 837 CB LEU A 51 5.687 -14.005 -8.671 1.00 0.00 C ATOM 838 CG LEU A 51 6.533 -13.866 -9.942 1.00 0.00 C ATOM 839 CD1 LEU A 51 6.190 -15.000 -10.910 1.00 0.00 C ATOM 840 CD2 LEU A 51 6.251 -12.520 -10.613 1.00 0.00 C ATOM 0 H LEU A 51 4.468 -12.095 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 51 3.990 -14.105 -10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.955 -13.224 -7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.896 -14.960 -8.189 1.00 0.00 H new ATOM 0 HG LEU A 51 7.589 -13.918 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.791 -14.901 -11.814 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.401 -15.959 -10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.133 -14.949 -11.170 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.856 -12.429 -11.515 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.195 -12.459 -10.877 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.501 -11.712 -9.926 1.00 0.00 H new ATOM 852 N GLN A 52 2.173 -14.717 -7.917 1.00 0.00 N ATOM 853 CA GLN A 52 1.385 -15.722 -7.145 1.00 0.00 C ATOM 854 C GLN A 52 0.537 -16.579 -8.091 1.00 0.00 C ATOM 855 O GLN A 52 0.290 -17.741 -7.836 1.00 0.00 O ATOM 856 CB GLN A 52 0.489 -14.901 -6.215 1.00 0.00 C ATOM 857 CG GLN A 52 0.044 -15.770 -5.033 1.00 0.00 C ATOM 858 CD GLN A 52 1.272 -16.267 -4.267 1.00 0.00 C ATOM 859 OE1 GLN A 52 1.827 -15.554 -3.456 1.00 0.00 O ATOM 860 NE2 GLN A 52 1.720 -17.472 -4.492 1.00 0.00 N ATOM 0 H GLN A 52 1.667 -13.870 -8.175 1.00 0.00 H new ATOM 0 HA GLN A 52 2.027 -16.406 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.028 -14.025 -5.853 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.382 -14.537 -6.760 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.602 -15.195 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.540 -16.617 -5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.253 -18.071 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.537 -17.815 -3.986 1.00 0.00 H new ATOM 869 N ASN A 53 0.088 -16.014 -9.179 1.00 0.00 N ATOM 870 CA ASN A 53 -0.745 -16.795 -10.141 1.00 0.00 C ATOM 871 C ASN A 53 -1.955 -17.404 -9.424 1.00 0.00 C ATOM 872 O ASN A 53 -2.443 -18.455 -9.792 1.00 0.00 O ATOM 873 CB ASN A 53 0.178 -17.892 -10.671 1.00 0.00 C ATOM 874 CG ASN A 53 -0.354 -18.403 -12.012 1.00 0.00 C ATOM 875 OD1 ASN A 53 -1.549 -18.507 -12.204 1.00 0.00 O ATOM 876 ND2 ASN A 53 0.489 -18.726 -12.954 1.00 0.00 N ATOM 0 H ASN A 53 0.262 -15.045 -9.444 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.136 -16.173 -10.946 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.189 -17.504 -10.793 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.235 -18.711 -9.954 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.145 -19.066 -13.852 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.492 -18.639 -12.792 1.00 0.00 H new ATOM 883 N ASN A 54 -2.445 -16.751 -8.405 1.00 0.00 N ATOM 884 CA ASN A 54 -3.625 -17.286 -7.667 1.00 0.00 C ATOM 885 C ASN A 54 -4.741 -16.234 -7.636 1.00 0.00 C ATOM 886 O ASN A 54 -4.497 -15.058 -7.808 1.00 0.00 O ATOM 887 CB ASN A 54 -3.106 -17.575 -6.263 1.00 0.00 C ATOM 888 CG ASN A 54 -4.099 -18.473 -5.522 1.00 0.00 C ATOM 889 OD1 ASN A 54 -5.292 -18.382 -5.731 1.00 0.00 O ATOM 890 ND2 ASN A 54 -3.654 -19.344 -4.659 1.00 0.00 N ATOM 0 H ASN A 54 -2.078 -15.868 -8.051 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.046 -18.177 -8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.132 -18.061 -6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.967 -16.642 -5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.308 -19.948 -4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.652 -19.421 -4.483 1.00 0.00 H new ATOM 897 N PHE A 55 -5.964 -16.644 -7.433 1.00 0.00 N ATOM 898 CA PHE A 55 -7.083 -15.657 -7.416 1.00 0.00 C ATOM 899 C PHE A 55 -7.243 -15.000 -6.039 1.00 0.00 C ATOM 900 O PHE A 55 -6.990 -13.822 -5.875 1.00 0.00 O ATOM 901 CB PHE A 55 -8.333 -16.462 -7.775 1.00 0.00 C ATOM 902 CG PHE A 55 -9.192 -15.644 -8.708 1.00 0.00 C ATOM 903 CD1 PHE A 55 -8.668 -15.197 -9.927 1.00 0.00 C ATOM 904 CD2 PHE A 55 -10.508 -15.324 -8.352 1.00 0.00 C ATOM 905 CE1 PHE A 55 -9.460 -14.431 -10.791 1.00 0.00 C ATOM 906 CE2 PHE A 55 -11.300 -14.559 -9.216 1.00 0.00 C ATOM 907 CZ PHE A 55 -10.776 -14.111 -10.436 1.00 0.00 C ATOM 0 H PHE A 55 -6.236 -17.615 -7.279 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.899 -14.842 -8.115 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.052 -17.402 -8.249 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.891 -16.714 -6.873 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.653 -15.443 -10.201 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.912 -15.667 -7.411 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.056 -14.087 -11.731 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -12.316 -14.314 -8.942 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.387 -13.519 -11.102 1.00 0.00 H new ATOM 917 N ASP A 56 -7.679 -15.736 -5.050 1.00 0.00 N ATOM 918 CA ASP A 56 -7.873 -15.119 -3.702 1.00 0.00 C ATOM 919 C ASP A 56 -6.542 -14.742 -3.054 1.00 0.00 C ATOM 920 O ASP A 56 -6.501 -14.085 -2.030 1.00 0.00 O ATOM 921 CB ASP A 56 -8.607 -16.167 -2.868 1.00 0.00 C ATOM 922 CG ASP A 56 -9.863 -16.631 -3.611 1.00 0.00 C ATOM 923 OD1 ASP A 56 -10.452 -15.817 -4.302 1.00 0.00 O ATOM 924 OD2 ASP A 56 -10.213 -17.792 -3.475 1.00 0.00 O ATOM 0 H ASP A 56 -7.907 -16.728 -5.115 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.440 -14.191 -3.777 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.952 -17.017 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.880 -15.749 -1.899 1.00 0.00 H new ATOM 929 N ASP A 57 -5.461 -15.121 -3.648 1.00 0.00 N ATOM 930 CA ASP A 57 -4.133 -14.758 -3.078 1.00 0.00 C ATOM 931 C ASP A 57 -3.670 -13.445 -3.704 1.00 0.00 C ATOM 932 O ASP A 57 -3.136 -12.579 -3.038 1.00 0.00 O ATOM 933 CB ASP A 57 -3.195 -15.901 -3.457 1.00 0.00 C ATOM 934 CG ASP A 57 -2.430 -16.365 -2.216 1.00 0.00 C ATOM 935 OD1 ASP A 57 -3.007 -17.095 -1.427 1.00 0.00 O ATOM 936 OD2 ASP A 57 -1.280 -15.983 -2.075 1.00 0.00 O ATOM 0 H ASP A 57 -5.430 -15.669 -4.508 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.161 -14.621 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.765 -16.730 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.496 -15.573 -4.226 1.00 0.00 H new ATOM 941 N LYS A 58 -3.895 -13.280 -4.981 1.00 0.00 N ATOM 942 CA LYS A 58 -3.496 -12.012 -5.646 1.00 0.00 C ATOM 943 C LYS A 58 -4.170 -10.847 -4.929 1.00 0.00 C ATOM 944 O LYS A 58 -3.586 -9.801 -4.725 1.00 0.00 O ATOM 945 CB LYS A 58 -4.022 -12.137 -7.074 1.00 0.00 C ATOM 946 CG LYS A 58 -3.491 -10.981 -7.926 1.00 0.00 C ATOM 947 CD LYS A 58 -1.959 -11.056 -8.033 1.00 0.00 C ATOM 948 CE LYS A 58 -1.504 -12.475 -8.427 1.00 0.00 C ATOM 949 NZ LYS A 58 -2.361 -12.889 -9.583 1.00 0.00 N ATOM 0 H LYS A 58 -4.337 -13.969 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.420 -11.838 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.712 -13.090 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.112 -12.128 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.934 -11.020 -8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.785 -10.029 -7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.607 -10.338 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.510 -10.777 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.450 -12.482 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.619 -13.166 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.781 -13.399 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.123 -13.511 -9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.775 -12.045 -10.028 1.00 0.00 H new ATOM 963 N LYS A 59 -5.395 -11.037 -4.528 1.00 0.00 N ATOM 964 CA LYS A 59 -6.118 -9.963 -3.801 1.00 0.00 C ATOM 965 C LYS A 59 -5.489 -9.786 -2.419 1.00 0.00 C ATOM 966 O LYS A 59 -5.189 -8.687 -1.998 1.00 0.00 O ATOM 967 CB LYS A 59 -7.554 -10.468 -3.688 1.00 0.00 C ATOM 968 CG LYS A 59 -8.404 -9.437 -2.947 1.00 0.00 C ATOM 969 CD LYS A 59 -9.308 -10.154 -1.945 1.00 0.00 C ATOM 970 CE LYS A 59 -9.694 -9.192 -0.821 1.00 0.00 C ATOM 971 NZ LYS A 59 -11.072 -8.739 -1.160 1.00 0.00 N ATOM 0 H LYS A 59 -5.927 -11.895 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.074 -8.997 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.966 -10.648 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.575 -11.420 -3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.762 -8.724 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.006 -8.868 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.204 -10.521 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.794 -11.023 -1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.669 -9.688 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.004 -8.350 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.408 -8.075 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.064 -8.265 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.708 -9.561 -1.198 1.00 0.00 H new ATOM 985 N GLU A 60 -5.270 -10.867 -1.719 1.00 0.00 N ATOM 986 CA GLU A 60 -4.636 -10.763 -0.374 1.00 0.00 C ATOM 987 C GLU A 60 -3.238 -10.159 -0.521 1.00 0.00 C ATOM 988 O GLU A 60 -2.814 -9.342 0.274 1.00 0.00 O ATOM 989 CB GLU A 60 -4.549 -12.200 0.138 1.00 0.00 C ATOM 990 CG GLU A 60 -5.551 -12.400 1.274 1.00 0.00 C ATOM 991 CD GLU A 60 -6.165 -13.797 1.170 1.00 0.00 C ATOM 992 OE1 GLU A 60 -7.064 -13.967 0.364 1.00 0.00 O ATOM 993 OE2 GLU A 60 -5.725 -14.671 1.896 1.00 0.00 O ATOM 0 H GLU A 60 -5.502 -11.814 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.199 -10.128 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.758 -12.899 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.539 -12.411 0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.055 -12.280 2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.333 -11.642 1.222 1.00 0.00 H new ATOM 1000 N LEU A 61 -2.522 -10.549 -1.544 1.00 0.00 N ATOM 1001 CA LEU A 61 -1.157 -9.988 -1.751 1.00 0.00 C ATOM 1002 C LEU A 61 -1.233 -8.461 -1.742 1.00 0.00 C ATOM 1003 O LEU A 61 -0.431 -7.794 -1.120 1.00 0.00 O ATOM 1004 CB LEU A 61 -0.706 -10.503 -3.119 1.00 0.00 C ATOM 1005 CG LEU A 61 0.310 -11.633 -2.927 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -0.236 -12.919 -3.550 1.00 0.00 C ATOM 1007 CD2 LEU A 61 1.634 -11.259 -3.603 1.00 0.00 C ATOM 0 H LEU A 61 -2.824 -11.229 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.458 -10.286 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.565 -10.863 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.261 -9.693 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 61 0.481 -11.787 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.486 -13.724 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.175 -13.188 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.409 -12.763 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.354 -12.065 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.467 -11.101 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.024 -10.344 -3.158 1.00 0.00 H new ATOM 1019 N ALA A 62 -2.209 -7.901 -2.410 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.334 -6.421 -2.404 1.00 0.00 C ATOM 1021 C ALA A 62 -2.532 -5.953 -0.967 1.00 0.00 C ATOM 1022 O ALA A 62 -2.097 -4.894 -0.584 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.565 -6.094 -3.235 1.00 0.00 C ATOM 0 H ALA A 62 -2.914 -8.401 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.449 -5.930 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.707 -5.014 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.430 -6.471 -4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.441 -6.562 -2.787 1.00 0.00 H new ATOM 1029 N GLU A 63 -3.180 -6.747 -0.159 1.00 0.00 N ATOM 1030 CA GLU A 63 -3.383 -6.345 1.261 1.00 0.00 C ATOM 1031 C GLU A 63 -2.033 -6.013 1.878 1.00 0.00 C ATOM 1032 O GLU A 63 -1.887 -5.119 2.690 1.00 0.00 O ATOM 1033 CB GLU A 63 -4.015 -7.564 1.937 1.00 0.00 C ATOM 1034 CG GLU A 63 -4.838 -7.113 3.145 1.00 0.00 C ATOM 1035 CD GLU A 63 -4.143 -7.558 4.432 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -2.938 -7.385 4.522 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -4.826 -8.064 5.307 1.00 0.00 O ATOM 0 H GLU A 63 -3.575 -7.651 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.017 -5.465 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.651 -8.096 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.238 -8.260 2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.951 -6.029 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.840 -7.539 3.095 1.00 0.00 H new ATOM 1044 N THR A 64 -1.050 -6.725 1.454 1.00 0.00 N ATOM 1045 CA THR A 64 0.335 -6.494 1.950 1.00 0.00 C ATOM 1046 C THR A 64 0.984 -5.359 1.154 1.00 0.00 C ATOM 1047 O THR A 64 1.703 -4.542 1.695 1.00 0.00 O ATOM 1048 CB THR A 64 1.071 -7.813 1.711 1.00 0.00 C ATOM 1049 OG1 THR A 64 0.367 -8.869 2.348 1.00 0.00 O ATOM 1050 CG2 THR A 64 2.487 -7.722 2.283 1.00 0.00 C ATOM 0 H THR A 64 -1.138 -7.476 0.770 1.00 0.00 H new ATOM 0 HA THR A 64 0.361 -6.206 3.001 1.00 0.00 H new ATOM 0 HB THR A 64 1.127 -8.008 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.837 -9.715 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.010 -8.663 2.112 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.027 -6.912 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.435 -7.526 3.354 1.00 0.00 H new ATOM 1058 N LEU A 65 0.730 -5.293 -0.128 1.00 0.00 N ATOM 1059 CA LEU A 65 1.332 -4.198 -0.943 1.00 0.00 C ATOM 1060 C LEU A 65 0.608 -2.885 -0.653 1.00 0.00 C ATOM 1061 O LEU A 65 1.220 -1.893 -0.324 1.00 0.00 O ATOM 1062 CB LEU A 65 1.117 -4.604 -2.397 1.00 0.00 C ATOM 1063 CG LEU A 65 2.191 -5.604 -2.811 1.00 0.00 C ATOM 1064 CD1 LEU A 65 1.773 -6.290 -4.108 1.00 0.00 C ATOM 1065 CD2 LEU A 65 3.511 -4.868 -3.029 1.00 0.00 C ATOM 0 H LEU A 65 0.137 -5.945 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 65 2.388 -4.052 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.128 -5.045 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.156 -3.725 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 65 2.315 -6.352 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.540 -7.005 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.829 -6.813 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.651 -5.543 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.281 -5.581 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.386 -4.122 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.810 -4.375 -2.104 1.00 0.00 H new ATOM 1077 N SER A 66 -0.696 -2.872 -0.756 1.00 0.00 N ATOM 1078 CA SER A 66 -1.454 -1.619 -0.468 1.00 0.00 C ATOM 1079 C SER A 66 -1.048 -1.058 0.896 1.00 0.00 C ATOM 1080 O SER A 66 -0.842 0.129 1.054 1.00 0.00 O ATOM 1081 CB SER A 66 -2.922 -2.040 -0.454 1.00 0.00 C ATOM 1082 OG SER A 66 -3.361 -2.255 -1.787 1.00 0.00 O ATOM 0 H SER A 66 -1.267 -3.673 -1.026 1.00 0.00 H new ATOM 0 HA SER A 66 -1.258 -0.840 -1.205 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.046 -2.950 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.529 -1.269 0.021 1.00 0.00 H new ATOM 0 HG SER A 66 -2.934 -3.061 -2.146 1.00 0.00 H new ATOM 1088 N GLU A 67 -0.935 -1.902 1.886 1.00 0.00 N ATOM 1089 CA GLU A 67 -0.547 -1.413 3.240 1.00 0.00 C ATOM 1090 C GLU A 67 0.911 -0.935 3.247 1.00 0.00 C ATOM 1091 O GLU A 67 1.253 0.023 3.910 1.00 0.00 O ATOM 1092 CB GLU A 67 -0.716 -2.623 4.158 1.00 0.00 C ATOM 1093 CG GLU A 67 -2.208 -2.914 4.349 1.00 0.00 C ATOM 1094 CD GLU A 67 -2.730 -2.143 5.563 1.00 0.00 C ATOM 1095 OE1 GLU A 67 -2.553 -2.627 6.668 1.00 0.00 O ATOM 1096 OE2 GLU A 67 -3.297 -1.081 5.366 1.00 0.00 O ATOM 0 H GLU A 67 -1.094 -2.907 1.816 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.155 -0.566 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.217 -3.492 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.246 -2.430 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.762 -2.625 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.365 -3.983 4.490 1.00 0.00 H new ATOM 1103 N ALA A 68 1.772 -1.596 2.522 1.00 0.00 N ATOM 1104 CA ALA A 68 3.205 -1.175 2.500 1.00 0.00 C ATOM 1105 C ALA A 68 3.448 -0.117 1.416 1.00 0.00 C ATOM 1106 O ALA A 68 4.478 0.527 1.391 1.00 0.00 O ATOM 1107 CB ALA A 68 3.987 -2.451 2.187 1.00 0.00 C ATOM 0 H ALA A 68 1.548 -2.407 1.945 1.00 0.00 H new ATOM 0 HA ALA A 68 3.510 -0.725 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.053 -2.225 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.798 -3.193 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.669 -2.845 1.222 1.00 0.00 H new ATOM 1113 N THR A 69 2.514 0.068 0.522 1.00 0.00 N ATOM 1114 CA THR A 69 2.702 1.082 -0.557 1.00 0.00 C ATOM 1115 C THR A 69 2.092 2.430 -0.151 1.00 0.00 C ATOM 1116 O THR A 69 2.214 3.409 -0.858 1.00 0.00 O ATOM 1117 CB THR A 69 1.964 0.509 -1.771 1.00 0.00 C ATOM 1118 OG1 THR A 69 0.631 0.187 -1.403 1.00 0.00 O ATOM 1119 CG2 THR A 69 2.680 -0.751 -2.263 1.00 0.00 C ATOM 0 H THR A 69 1.629 -0.439 0.492 1.00 0.00 H new ATOM 0 HA THR A 69 3.757 1.265 -0.762 1.00 0.00 H new ATOM 0 HB THR A 69 1.952 1.249 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.020 0.451 -2.123 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.152 -1.156 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.702 -0.501 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.696 -1.495 -1.466 1.00 0.00 H new ATOM 1127 N ARG A 70 1.431 2.492 0.975 1.00 0.00 N ATOM 1128 CA ARG A 70 0.815 3.783 1.403 1.00 0.00 C ATOM 1129 C ARG A 70 -0.070 4.335 0.282 1.00 0.00 C ATOM 1130 O ARG A 70 -0.310 5.522 0.189 1.00 0.00 O ATOM 1131 CB ARG A 70 1.995 4.717 1.676 1.00 0.00 C ATOM 1132 CG ARG A 70 1.986 5.133 3.150 1.00 0.00 C ATOM 1133 CD ARG A 70 3.308 5.823 3.498 1.00 0.00 C ATOM 1134 NE ARG A 70 4.365 4.826 3.172 1.00 0.00 N ATOM 1135 CZ ARG A 70 5.604 5.211 3.027 1.00 0.00 C ATOM 1136 NH1 ARG A 70 6.118 6.081 3.852 1.00 0.00 N ATOM 1137 NH2 ARG A 70 6.330 4.727 2.056 1.00 0.00 N ATOM 0 H ARG A 70 1.291 1.709 1.614 1.00 0.00 H new ATOM 0 HA ARG A 70 0.181 3.672 2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.932 4.216 1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.930 5.598 1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.151 5.807 3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.843 4.258 3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.438 6.738 2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.341 6.103 4.551 1.00 0.00 H new ATOM 0 HE ARG A 70 4.121 3.842 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.552 6.461 4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.086 6.382 3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.929 4.047 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.298 5.029 1.944 1.00 0.00 H new ATOM 1151 N SER A 71 -0.558 3.474 -0.566 1.00 0.00 N ATOM 1152 CA SER A 71 -1.434 3.929 -1.685 1.00 0.00 C ATOM 1153 C SER A 71 -2.849 3.369 -1.502 1.00 0.00 C ATOM 1154 O SER A 71 -3.194 2.874 -0.448 1.00 0.00 O ATOM 1155 CB SER A 71 -0.786 3.359 -2.945 1.00 0.00 C ATOM 1156 OG SER A 71 0.550 3.835 -3.042 1.00 0.00 O ATOM 0 H SER A 71 -0.388 2.469 -0.533 1.00 0.00 H new ATOM 0 HA SER A 71 -1.526 5.014 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.795 2.270 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.355 3.655 -3.826 1.00 0.00 H new ATOM 0 HG SER A 71 1.075 3.491 -2.289 1.00 0.00 H new ATOM 1162 N GLU A 72 -3.672 3.441 -2.515 1.00 0.00 N ATOM 1163 CA GLU A 72 -5.061 2.907 -2.382 1.00 0.00 C ATOM 1164 C GLU A 72 -5.377 1.950 -3.539 1.00 0.00 C ATOM 1165 O GLU A 72 -5.412 2.342 -4.690 1.00 0.00 O ATOM 1166 CB GLU A 72 -5.979 4.140 -2.425 1.00 0.00 C ATOM 1167 CG GLU A 72 -5.564 5.137 -1.338 1.00 0.00 C ATOM 1168 CD GLU A 72 -6.196 4.733 -0.004 1.00 0.00 C ATOM 1169 OE1 GLU A 72 -7.349 4.335 -0.014 1.00 0.00 O ATOM 1170 OE2 GLU A 72 -5.517 4.831 1.004 1.00 0.00 O ATOM 0 H GLU A 72 -3.445 3.844 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.195 2.340 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.922 4.613 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.016 3.838 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.478 5.159 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.881 6.143 -1.613 1.00 0.00 H new ATOM 1177 N LEU A 73 -5.588 0.691 -3.244 1.00 0.00 N ATOM 1178 CA LEU A 73 -5.878 -0.299 -4.307 1.00 0.00 C ATOM 1179 C LEU A 73 -7.137 0.030 -5.094 1.00 0.00 C ATOM 1180 O LEU A 73 -8.237 -0.166 -4.610 1.00 0.00 O ATOM 1181 CB LEU A 73 -6.150 -1.599 -3.545 1.00 0.00 C ATOM 1182 CG LEU A 73 -5.296 -2.731 -4.089 1.00 0.00 C ATOM 1183 CD1 LEU A 73 -5.887 -4.059 -3.620 1.00 0.00 C ATOM 1184 CD2 LEU A 73 -5.297 -2.737 -5.620 1.00 0.00 C ATOM 0 H LEU A 73 -5.570 0.310 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.053 -0.335 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.940 -1.456 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.205 -1.861 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.276 -2.594 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.283 -4.882 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.893 -4.090 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.908 -4.154 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.677 -3.558 -5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.317 -2.865 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.897 -1.792 -5.988 1.00 0.00 H new ATOM 1196 N VAL A 74 -7.005 0.435 -6.325 1.00 0.00 N ATOM 1197 CA VAL A 74 -8.236 0.652 -7.120 1.00 0.00 C ATOM 1198 C VAL A 74 -8.700 -0.736 -7.562 1.00 0.00 C ATOM 1199 O VAL A 74 -9.878 -1.005 -7.671 1.00 0.00 O ATOM 1200 CB VAL A 74 -7.876 1.564 -8.300 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -7.585 2.961 -7.780 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -6.641 1.062 -9.025 1.00 0.00 C ATOM 0 H VAL A 74 -6.123 0.620 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.041 1.138 -6.569 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.718 1.570 -8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.328 3.614 -8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.467 3.351 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.750 2.922 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.411 1.729 -9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.798 1.039 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.826 0.058 -9.406 1.00 0.00 H new ATOM 1212 N GLN A 75 -7.768 -1.657 -7.754 1.00 0.00 N ATOM 1213 CA GLN A 75 -8.165 -3.057 -8.117 1.00 0.00 C ATOM 1214 C GLN A 75 -6.996 -3.951 -8.447 1.00 0.00 C ATOM 1215 O GLN A 75 -5.857 -3.580 -8.418 1.00 0.00 O ATOM 1216 CB GLN A 75 -9.119 -2.955 -9.315 1.00 0.00 C ATOM 1217 CG GLN A 75 -10.505 -3.460 -8.908 1.00 0.00 C ATOM 1218 CD GLN A 75 -11.125 -4.242 -10.067 1.00 0.00 C ATOM 1219 OE1 GLN A 75 -12.221 -3.942 -10.501 1.00 0.00 O ATOM 1220 NE2 GLN A 75 -10.470 -5.241 -10.591 1.00 0.00 N ATOM 0 H GLN A 75 -6.764 -1.496 -7.675 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.642 -3.521 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.182 -1.922 -9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.736 -3.543 -10.149 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.427 -4.097 -8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.145 -2.620 -8.639 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.551 -5.494 -10.229 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.877 -5.769 -11.363 1.00 0.00 H new ATOM 1229 N VAL A 76 -7.319 -5.170 -8.700 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.303 -6.189 -9.009 1.00 0.00 C ATOM 1231 C VAL A 76 -6.663 -6.814 -10.365 1.00 0.00 C ATOM 1232 O VAL A 76 -7.785 -7.232 -10.572 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.454 -7.154 -7.828 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -6.186 -8.603 -8.259 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.460 -6.776 -6.728 1.00 0.00 C ATOM 0 H VAL A 76 -8.279 -5.516 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.274 -5.843 -9.107 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.477 -7.080 -7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.300 -9.265 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.896 -8.889 -9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.171 -8.685 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.568 -7.463 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.444 -6.837 -7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.659 -5.758 -6.392 1.00 0.00 H new ATOM 1245 N ILE A 77 -5.747 -6.879 -11.289 1.00 0.00 N ATOM 1246 CA ILE A 77 -6.105 -7.478 -12.614 1.00 0.00 C ATOM 1247 C ILE A 77 -5.190 -8.657 -12.956 1.00 0.00 C ATOM 1248 O ILE A 77 -3.988 -8.519 -13.065 1.00 0.00 O ATOM 1249 CB ILE A 77 -5.968 -6.343 -13.634 1.00 0.00 C ATOM 1250 CG1 ILE A 77 -4.501 -5.954 -13.797 1.00 0.00 C ATOM 1251 CG2 ILE A 77 -6.768 -5.126 -13.163 1.00 0.00 C ATOM 1252 CD1 ILE A 77 -3.988 -6.519 -15.118 1.00 0.00 C ATOM 0 H ILE A 77 -4.785 -6.553 -11.194 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.117 -7.883 -12.609 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.355 -6.685 -14.594 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.394 -4.869 -13.783 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.913 -6.343 -12.966 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.668 -4.321 -13.891 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -7.819 -5.398 -13.064 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.387 -4.792 -12.198 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.940 -6.248 -15.247 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.084 -7.605 -15.111 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.573 -6.108 -15.941 1.00 0.00 H new ATOM 1264 N GLY A 78 -5.763 -9.823 -13.124 1.00 0.00 N ATOM 1265 CA GLY A 78 -4.950 -11.033 -13.462 1.00 0.00 C ATOM 1266 C GLY A 78 -3.732 -11.120 -12.541 1.00 0.00 C ATOM 1267 O GLY A 78 -3.853 -11.191 -11.334 1.00 0.00 O ATOM 0 H GLY A 78 -6.766 -9.990 -13.041 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.559 -11.931 -13.358 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.627 -10.985 -14.502 1.00 0.00 H new ATOM 1271 N SER A 79 -2.558 -11.106 -13.107 1.00 0.00 N ATOM 1272 CA SER A 79 -1.324 -11.177 -12.277 1.00 0.00 C ATOM 1273 C SER A 79 -0.825 -9.764 -11.977 1.00 0.00 C ATOM 1274 O SER A 79 0.335 -9.555 -11.681 1.00 0.00 O ATOM 1275 CB SER A 79 -0.314 -11.926 -13.145 1.00 0.00 C ATOM 1276 OG SER A 79 -0.867 -13.176 -13.536 1.00 0.00 O ATOM 0 H SER A 79 -2.400 -11.048 -14.113 1.00 0.00 H new ATOM 0 HA SER A 79 -1.487 -11.673 -11.320 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.064 -11.334 -14.026 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.613 -12.082 -12.593 1.00 0.00 H new ATOM 0 HG SER A 79 -0.222 -13.659 -14.095 1.00 0.00 H new ATOM 1282 N MET A 80 -1.687 -8.787 -12.066 1.00 0.00 N ATOM 1283 CA MET A 80 -1.246 -7.392 -11.798 1.00 0.00 C ATOM 1284 C MET A 80 -2.072 -6.745 -10.678 1.00 0.00 C ATOM 1285 O MET A 80 -3.249 -7.006 -10.528 1.00 0.00 O ATOM 1286 CB MET A 80 -1.465 -6.655 -13.118 1.00 0.00 C ATOM 1287 CG MET A 80 -0.123 -6.482 -13.831 1.00 0.00 C ATOM 1288 SD MET A 80 -0.313 -5.314 -15.201 1.00 0.00 S ATOM 1289 CE MET A 80 -0.087 -6.501 -16.549 1.00 0.00 C ATOM 0 H MET A 80 -2.671 -8.895 -12.311 1.00 0.00 H new ATOM 0 HA MET A 80 -0.209 -7.356 -11.465 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.155 -7.214 -13.749 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.919 -5.682 -12.933 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.629 -6.118 -13.131 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.229 -7.444 -14.205 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.167 -5.985 -17.506 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.897 -6.962 -16.467 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.855 -7.272 -16.488 1.00 0.00 H new ATOM 1299 N ILE A 81 -1.461 -5.884 -9.908 1.00 0.00 N ATOM 1300 CA ILE A 81 -2.193 -5.188 -8.815 1.00 0.00 C ATOM 1301 C ILE A 81 -2.377 -3.719 -9.212 1.00 0.00 C ATOM 1302 O ILE A 81 -1.455 -3.074 -9.663 1.00 0.00 O ATOM 1303 CB ILE A 81 -1.279 -5.295 -7.591 1.00 0.00 C ATOM 1304 CG1 ILE A 81 -0.922 -6.763 -7.333 1.00 0.00 C ATOM 1305 CG2 ILE A 81 -1.979 -4.700 -6.365 1.00 0.00 C ATOM 1306 CD1 ILE A 81 -2.164 -7.530 -6.891 1.00 0.00 C ATOM 0 H ILE A 81 -0.476 -5.632 -9.992 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.176 -5.615 -8.618 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.362 -4.737 -7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.511 -7.211 -8.238 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.151 -6.829 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.324 -4.779 -5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.210 -3.651 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.903 -5.246 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.902 -8.572 -6.710 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.557 -7.090 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.922 -7.477 -7.673 1.00 0.00 H new ATOM 1318 N VAL A 82 -3.558 -3.195 -9.070 1.00 0.00 N ATOM 1319 CA VAL A 82 -3.809 -1.772 -9.467 1.00 0.00 C ATOM 1320 C VAL A 82 -3.989 -0.894 -8.226 1.00 0.00 C ATOM 1321 O VAL A 82 -4.972 -0.991 -7.528 1.00 0.00 O ATOM 1322 CB VAL A 82 -5.108 -1.830 -10.295 1.00 0.00 C ATOM 1323 CG1 VAL A 82 -5.286 -0.513 -11.042 1.00 0.00 C ATOM 1324 CG2 VAL A 82 -4.993 -2.954 -11.330 1.00 0.00 C ATOM 0 H VAL A 82 -4.369 -3.687 -8.695 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.981 -1.340 -10.029 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.954 -2.007 -9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.204 -0.549 -11.629 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.346 0.306 -10.326 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.436 -0.354 -11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.909 -3.001 -11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.147 -2.757 -11.989 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.841 -3.905 -10.819 1.00 0.00 H new ATOM 1334 N ILE A 83 -3.045 -0.033 -7.944 1.00 0.00 N ATOM 1335 CA ILE A 83 -3.168 0.832 -6.730 1.00 0.00 C ATOM 1336 C ILE A 83 -2.883 2.299 -7.062 1.00 0.00 C ATOM 1337 O ILE A 83 -2.189 2.612 -8.009 1.00 0.00 O ATOM 1338 CB ILE A 83 -2.101 0.297 -5.765 1.00 0.00 C ATOM 1339 CG1 ILE A 83 -2.309 -1.206 -5.544 1.00 0.00 C ATOM 1340 CG2 ILE A 83 -2.201 1.020 -4.421 1.00 0.00 C ATOM 1341 CD1 ILE A 83 -1.054 -1.826 -4.927 1.00 0.00 C ATOM 0 H ILE A 83 -2.200 0.109 -8.497 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.174 0.799 -6.312 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.116 0.472 -6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.165 -1.370 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.536 -1.693 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.440 0.634 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.046 2.089 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.189 0.854 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.213 -2.894 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.207 -1.677 -5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.846 -1.350 -3.969 1.00 0.00 H new ATOM 1353 N TYR A 84 -3.406 3.195 -6.270 1.00 0.00 N ATOM 1354 CA TYR A 84 -3.164 4.644 -6.510 1.00 0.00 C ATOM 1355 C TYR A 84 -2.491 5.264 -5.281 1.00 0.00 C ATOM 1356 O TYR A 84 -3.081 5.375 -4.224 1.00 0.00 O ATOM 1357 CB TYR A 84 -4.554 5.254 -6.741 1.00 0.00 C ATOM 1358 CG TYR A 84 -4.484 6.766 -6.643 1.00 0.00 C ATOM 1359 CD1 TYR A 84 -3.578 7.481 -7.435 1.00 0.00 C ATOM 1360 CD2 TYR A 84 -5.323 7.446 -5.753 1.00 0.00 C ATOM 1361 CE1 TYR A 84 -3.514 8.877 -7.338 1.00 0.00 C ATOM 1362 CE2 TYR A 84 -5.258 8.840 -5.655 1.00 0.00 C ATOM 1363 CZ TYR A 84 -4.354 9.556 -6.448 1.00 0.00 C ATOM 1364 OH TYR A 84 -4.289 10.930 -6.351 1.00 0.00 O ATOM 0 H TYR A 84 -3.993 2.983 -5.463 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.506 4.823 -7.360 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.929 4.963 -7.722 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.257 4.866 -6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.929 6.957 -8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.021 6.894 -5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.816 9.429 -7.950 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.905 9.364 -4.967 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.940 11.242 -5.688 1.00 0.00 H new ATOM 1374 N ARG A 85 -1.266 5.674 -5.418 1.00 0.00 N ATOM 1375 CA ARG A 85 -0.553 6.297 -4.268 1.00 0.00 C ATOM 1376 C ARG A 85 -1.011 7.743 -4.083 1.00 0.00 C ATOM 1377 O ARG A 85 -1.256 8.450 -5.040 1.00 0.00 O ATOM 1378 CB ARG A 85 0.929 6.242 -4.625 1.00 0.00 C ATOM 1379 CG ARG A 85 1.756 6.667 -3.410 1.00 0.00 C ATOM 1380 CD ARG A 85 2.558 7.924 -3.749 1.00 0.00 C ATOM 1381 NE ARG A 85 3.273 8.271 -2.489 1.00 0.00 N ATOM 1382 CZ ARG A 85 3.479 9.522 -2.178 1.00 0.00 C ATOM 1383 NH1 ARG A 85 3.604 10.416 -3.120 1.00 0.00 N ATOM 1384 NH2 ARG A 85 3.562 9.879 -0.925 1.00 0.00 N ATOM 0 H ARG A 85 -0.723 5.606 -6.279 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.757 5.777 -3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.204 5.233 -4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.137 6.900 -5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.100 6.860 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.430 5.862 -3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.259 7.739 -4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.905 8.736 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 85 3.602 7.531 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.541 10.137 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.765 11.394 -2.877 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.466 9.180 -0.188 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.723 10.857 -0.683 1.00 0.00 H new ATOM 1398 N GLU A 86 -1.157 8.163 -2.848 1.00 0.00 N ATOM 1399 CA GLU A 86 -1.621 9.556 -2.539 1.00 0.00 C ATOM 1400 C GLU A 86 -1.019 10.592 -3.503 1.00 0.00 C ATOM 1401 O GLU A 86 -0.092 10.315 -4.238 1.00 0.00 O ATOM 1402 CB GLU A 86 -1.136 9.814 -1.109 1.00 0.00 C ATOM 1403 CG GLU A 86 0.393 9.910 -1.094 1.00 0.00 C ATOM 1404 CD GLU A 86 0.937 9.245 0.172 1.00 0.00 C ATOM 1405 OE1 GLU A 86 0.640 8.081 0.380 1.00 0.00 O ATOM 1406 OE2 GLU A 86 1.643 9.911 0.910 1.00 0.00 O ATOM 0 H GLU A 86 -0.971 7.589 -2.026 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.702 9.648 -2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.572 10.737 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.466 9.010 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.807 9.425 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.702 10.955 -1.130 1.00 0.00 H new ATOM 1531 N GLU A 94 -6.840 12.050 -12.172 1.00 0.00 N ATOM 1532 CA GLU A 94 -8.318 12.175 -12.044 1.00 0.00 C ATOM 1533 C GLU A 94 -8.902 10.862 -11.583 1.00 0.00 C ATOM 1534 O GLU A 94 -8.416 9.806 -11.944 1.00 0.00 O ATOM 1535 CB GLU A 94 -8.838 12.446 -13.444 1.00 0.00 C ATOM 1536 CG GLU A 94 -10.197 13.138 -13.350 1.00 0.00 C ATOM 1537 CD GLU A 94 -10.063 14.595 -13.796 1.00 0.00 C ATOM 1538 OE1 GLU A 94 -10.177 14.843 -14.985 1.00 0.00 O ATOM 1539 OE2 GLU A 94 -9.850 15.439 -12.941 1.00 0.00 O ATOM 0 HA GLU A 94 -8.584 12.958 -11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.134 13.073 -13.991 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.930 11.512 -13.998 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.924 12.621 -13.976 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.569 13.093 -12.326 1.00 0.00 H new ATOM 1546 N LEU A 95 -9.962 10.896 -10.833 1.00 0.00 N ATOM 1547 CA LEU A 95 -10.560 9.611 -10.423 1.00 0.00 C ATOM 1548 C LEU A 95 -12.100 9.693 -10.350 1.00 0.00 C ATOM 1549 O LEU A 95 -12.771 8.883 -10.952 1.00 0.00 O ATOM 1550 CB LEU A 95 -9.958 9.217 -9.054 1.00 0.00 C ATOM 1551 CG LEU A 95 -8.474 9.599 -8.944 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -8.320 11.086 -8.604 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -7.841 8.766 -7.827 1.00 0.00 C ATOM 0 H LEU A 95 -10.428 11.738 -10.495 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.329 8.849 -11.168 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.518 9.707 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.067 8.143 -8.906 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.984 9.407 -9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.261 11.335 -8.531 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.781 11.688 -9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.808 11.294 -7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.786 9.024 -7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.350 8.974 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.936 7.707 -8.065 1.00 0.00 H new ATOM 1565 N PRO A 96 -12.629 10.647 -9.618 1.00 0.00 N ATOM 1566 CA PRO A 96 -14.090 10.778 -9.502 1.00 0.00 C ATOM 1567 C PRO A 96 -14.621 11.803 -10.507 1.00 0.00 C ATOM 1568 O PRO A 96 -15.244 11.390 -11.472 1.00 0.00 O ATOM 1569 CB PRO A 96 -14.263 11.273 -8.073 1.00 0.00 C ATOM 1570 CG PRO A 96 -12.964 11.942 -7.717 1.00 0.00 C ATOM 1571 CD PRO A 96 -11.975 11.685 -8.831 1.00 0.00 C ATOM 0 HA PRO A 96 -14.632 9.855 -9.709 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -15.097 11.971 -7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.477 10.447 -7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.113 13.013 -7.582 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.582 11.552 -6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.790 12.582 -9.421 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.011 11.352 -8.446 1.00 0.00 H new