USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 29 GLN : amide:sc= 0.873 K(o=0.87,f=-0.3) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 2.14 (180deg=1.77) USER MOD Single : A 32 CYS SG : rot -157:sc= -5.64! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.52 K(o=0.52,f=-3.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.1) USER MOD Single : A 54 ASN : amide:sc= -0.0648 K(o=-0.065,f=-0.68) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.33) USER MOD Single : A 68 GLN : amide:sc= 0.0993 K(o=0.099,f=-6.8!) USER MOD Single : A 71 MET CE :methyl -177:sc=-0.00136 (180deg=-0.0292) USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0.411 (180deg=0.376) USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= 1.12 (180deg=0.773) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.328 3.267 -1.842 1.00 0.00 N ATOM 20 CA ASP A 23 -12.244 1.933 -2.395 1.00 0.00 C ATOM 21 C ASP A 23 -10.779 1.499 -2.408 1.00 0.00 C ATOM 22 O ASP A 23 -9.998 1.875 -3.281 1.00 0.00 O ATOM 23 CB ASP A 23 -12.897 1.966 -3.782 1.00 0.00 C ATOM 24 CG ASP A 23 -14.334 2.478 -3.711 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.491 3.630 -3.236 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.241 1.709 -4.088 1.00 0.00 O ATOM 0 HA ASP A 23 -12.777 1.192 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.314 2.605 -4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.887 0.965 -4.214 1.00 0.00 H new ATOM 31 N ALA A 24 -10.412 0.727 -1.386 1.00 0.00 N ATOM 32 CA ALA A 24 -9.034 0.444 -1.032 1.00 0.00 C ATOM 33 C ALA A 24 -8.218 -0.101 -2.198 1.00 0.00 C ATOM 34 O ALA A 24 -7.148 0.421 -2.514 1.00 0.00 O ATOM 35 CB ALA A 24 -9.014 -0.523 0.137 1.00 0.00 C ATOM 0 H ALA A 24 -11.086 0.273 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.562 1.385 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.982 -0.742 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.528 -0.076 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.518 -1.447 -0.146 1.00 0.00 H new ATOM 41 N GLU A 25 -8.716 -1.159 -2.842 1.00 0.00 N ATOM 42 CA GLU A 25 -7.997 -1.715 -3.969 1.00 0.00 C ATOM 43 C GLU A 25 -7.902 -0.665 -5.071 1.00 0.00 C ATOM 44 O GLU A 25 -6.824 -0.480 -5.614 1.00 0.00 O ATOM 45 CB GLU A 25 -8.584 -3.055 -4.428 1.00 0.00 C ATOM 46 CG GLU A 25 -9.687 -2.945 -5.485 1.00 0.00 C ATOM 47 CD GLU A 25 -10.262 -4.313 -5.840 1.00 0.00 C ATOM 48 OE1 GLU A 25 -10.023 -5.256 -5.054 1.00 0.00 O ATOM 49 OE2 GLU A 25 -10.927 -4.385 -6.893 1.00 0.00 O ATOM 0 H GLU A 25 -9.589 -1.630 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.980 -1.962 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.778 -3.671 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.984 -3.577 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.484 -2.300 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.286 -2.474 -6.383 1.00 0.00 H new ATOM 56 N ALA A 26 -8.994 0.051 -5.369 1.00 0.00 N ATOM 57 CA ALA A 26 -9.025 1.059 -6.422 1.00 0.00 C ATOM 58 C ALA A 26 -7.935 2.105 -6.205 1.00 0.00 C ATOM 59 O ALA A 26 -7.226 2.446 -7.150 1.00 0.00 O ATOM 60 CB ALA A 26 -10.398 1.724 -6.519 1.00 0.00 C ATOM 0 H ALA A 26 -9.883 -0.058 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.833 0.552 -7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.386 2.470 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.153 0.970 -6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.636 2.207 -5.571 1.00 0.00 H new ATOM 66 N VAL A 27 -7.781 2.589 -4.965 1.00 0.00 N ATOM 67 CA VAL A 27 -6.649 3.435 -4.604 1.00 0.00 C ATOM 68 C VAL A 27 -5.370 2.767 -5.097 1.00 0.00 C ATOM 69 O VAL A 27 -4.658 3.336 -5.920 1.00 0.00 O ATOM 70 CB VAL A 27 -6.604 3.726 -3.089 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.324 4.480 -2.696 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.804 4.572 -2.653 1.00 0.00 C ATOM 0 H VAL A 27 -8.429 2.406 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.757 4.407 -5.085 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.627 2.758 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.327 4.667 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.453 3.879 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.283 5.429 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.746 4.761 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.795 5.521 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.727 4.037 -2.877 1.00 0.00 H new ATOM 82 N VAL A 28 -5.050 1.563 -4.627 1.00 0.00 N ATOM 83 CA VAL A 28 -3.722 1.031 -4.886 1.00 0.00 C ATOM 84 C VAL A 28 -3.500 0.739 -6.371 1.00 0.00 C ATOM 85 O VAL A 28 -2.474 1.122 -6.946 1.00 0.00 O ATOM 86 CB VAL A 28 -3.450 -0.101 -3.888 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.083 -0.771 -4.031 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.563 0.509 -2.483 1.00 0.00 C ATOM 0 H VAL A 28 -5.668 0.959 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.945 1.772 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.177 -0.890 -4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.983 -1.558 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.992 -1.204 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.297 -0.030 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.377 -0.262 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.828 1.307 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.564 0.916 -2.342 1.00 0.00 H new ATOM 98 N GLN A 29 -4.543 0.190 -6.991 1.00 0.00 N ATOM 99 CA GLN A 29 -4.751 -0.030 -8.412 1.00 0.00 C ATOM 100 C GLN A 29 -4.742 1.261 -9.246 1.00 0.00 C ATOM 101 O GLN A 29 -4.894 1.180 -10.462 1.00 0.00 O ATOM 102 CB GLN A 29 -6.043 -0.855 -8.590 1.00 0.00 C ATOM 103 CG GLN A 29 -5.883 -2.290 -8.059 1.00 0.00 C ATOM 104 CD GLN A 29 -4.804 -3.056 -8.823 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.780 -3.045 -10.049 1.00 0.00 O ATOM 106 NE2 GLN A 29 -3.881 -3.696 -8.112 1.00 0.00 N ATOM 0 H GLN A 29 -5.341 -0.144 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.904 -0.592 -8.806 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.863 -0.363 -8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.312 -0.886 -9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.628 -2.260 -7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.833 -2.818 -8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.926 -3.688 -7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.128 -4.195 -8.585 1.00 0.00 H new ATOM 115 N GLN A 30 -4.532 2.440 -8.644 1.00 0.00 N ATOM 116 CA GLN A 30 -4.259 3.666 -9.391 1.00 0.00 C ATOM 117 C GLN A 30 -3.093 4.506 -8.841 1.00 0.00 C ATOM 118 O GLN A 30 -2.534 5.309 -9.583 1.00 0.00 O ATOM 119 CB GLN A 30 -5.553 4.486 -9.524 1.00 0.00 C ATOM 120 CG GLN A 30 -5.794 4.853 -10.993 1.00 0.00 C ATOM 121 CD GLN A 30 -7.117 5.584 -11.186 1.00 0.00 C ATOM 122 OE1 GLN A 30 -8.040 5.066 -11.803 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.224 6.803 -10.665 1.00 0.00 N ATOM 0 H GLN A 30 -4.547 2.566 -7.632 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.917 3.362 -10.380 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.397 3.913 -9.141 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.483 5.392 -8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.977 5.481 -11.349 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.788 3.947 -11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.440 7.211 -10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.090 7.330 -10.775 1.00 0.00 H new ATOM 132 N LYS A 31 -2.732 4.362 -7.562 1.00 0.00 N ATOM 133 CA LYS A 31 -1.828 5.260 -6.848 1.00 0.00 C ATOM 134 C LYS A 31 -0.525 4.560 -6.442 1.00 0.00 C ATOM 135 O LYS A 31 0.441 5.243 -6.104 1.00 0.00 O ATOM 136 CB LYS A 31 -2.587 5.854 -5.639 1.00 0.00 C ATOM 137 CG LYS A 31 -2.714 7.387 -5.662 1.00 0.00 C ATOM 138 CD LYS A 31 -4.059 7.786 -5.035 1.00 0.00 C ATOM 139 CE LYS A 31 -4.251 9.305 -4.889 1.00 0.00 C ATOM 140 NZ LYS A 31 -4.052 9.755 -3.496 1.00 0.00 N ATOM 0 H LYS A 31 -3.072 3.595 -6.981 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.520 6.072 -7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.586 5.419 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.076 5.557 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.891 7.841 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.652 7.755 -6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.867 7.384 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.142 7.323 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.549 9.824 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.254 9.577 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.476 10.696 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.506 9.082 -2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.034 9.804 -3.289 1.00 0.00 H new ATOM 154 N CYS A 32 -0.482 3.221 -6.467 1.00 0.00 N ATOM 155 CA CYS A 32 0.662 2.451 -5.985 1.00 0.00 C ATOM 156 C CYS A 32 1.237 1.562 -7.088 1.00 0.00 C ATOM 157 O CYS A 32 2.460 1.485 -7.248 1.00 0.00 O ATOM 158 CB CYS A 32 0.235 1.606 -4.791 1.00 0.00 C ATOM 159 SG CYS A 32 -0.900 2.474 -3.650 1.00 0.00 S ATOM 0 H CYS A 32 -1.244 2.644 -6.824 1.00 0.00 H new ATOM 0 HA CYS A 32 1.445 3.145 -5.680 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.250 0.699 -5.153 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.123 1.295 -4.240 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.836 1.925 -2.473 1.00 0.00 H new ATOM 164 N ILE A 33 0.354 0.929 -7.877 1.00 0.00 N ATOM 165 CA ILE A 33 0.753 0.111 -9.022 1.00 0.00 C ATOM 166 C ILE A 33 1.758 0.844 -9.914 1.00 0.00 C ATOM 167 O ILE A 33 2.608 0.207 -10.531 1.00 0.00 O ATOM 168 CB ILE A 33 -0.460 -0.352 -9.847 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.321 0.808 -10.381 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.307 -1.353 -9.054 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.190 0.363 -11.562 1.00 0.00 C ATOM 0 H ILE A 33 -0.655 0.973 -7.735 1.00 0.00 H new ATOM 0 HA ILE A 33 1.240 -0.776 -8.617 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.057 -0.852 -10.728 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.958 1.188 -9.582 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.675 1.629 -10.692 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.159 -1.667 -9.657 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.701 -2.223 -8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.664 -0.882 -8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.785 1.206 -11.914 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.551 0.007 -12.370 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.853 -0.441 -11.243 1.00 0.00 H new ATOM 183 N SER A 34 1.667 2.179 -9.946 1.00 0.00 N ATOM 184 CA SER A 34 2.600 3.082 -10.600 1.00 0.00 C ATOM 185 C SER A 34 4.054 2.614 -10.451 1.00 0.00 C ATOM 186 O SER A 34 4.791 2.614 -11.435 1.00 0.00 O ATOM 187 CB SER A 34 2.391 4.497 -10.037 1.00 0.00 C ATOM 188 OG SER A 34 3.059 5.457 -10.828 1.00 0.00 O ATOM 0 H SER A 34 0.900 2.675 -9.492 1.00 0.00 H new ATOM 0 HA SER A 34 2.401 3.088 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.326 4.726 -10.003 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.760 4.543 -9.012 1.00 0.00 H new ATOM 0 HG SER A 34 2.911 6.350 -10.453 1.00 0.00 H new ATOM 194 N CYS A 35 4.457 2.198 -9.239 1.00 0.00 N ATOM 195 CA CYS A 35 5.798 1.669 -8.986 1.00 0.00 C ATOM 196 C CYS A 35 5.735 0.185 -8.625 1.00 0.00 C ATOM 197 O CYS A 35 6.563 -0.599 -9.084 1.00 0.00 O ATOM 198 CB CYS A 35 6.534 2.483 -7.910 1.00 0.00 C ATOM 199 SG CYS A 35 6.235 4.261 -8.145 1.00 0.00 S ATOM 0 H CYS A 35 3.860 2.221 -8.412 1.00 0.00 H new ATOM 0 HA CYS A 35 6.375 1.765 -9.906 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.195 2.179 -6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.603 2.278 -7.958 1.00 0.00 H new ATOM 0 HG CYS A 35 6.863 4.932 -7.225 1.00 0.00 H new ATOM 204 N HIS A 36 4.765 -0.221 -7.804 1.00 0.00 N ATOM 205 CA HIS A 36 4.684 -1.598 -7.329 1.00 0.00 C ATOM 206 C HIS A 36 4.264 -2.592 -8.424 1.00 0.00 C ATOM 207 O HIS A 36 4.481 -3.794 -8.265 1.00 0.00 O ATOM 208 CB HIS A 36 3.805 -1.649 -6.074 1.00 0.00 C ATOM 209 CG HIS A 36 4.489 -1.048 -4.867 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.418 -1.693 -4.080 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.321 0.219 -4.362 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.780 -0.835 -3.112 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.151 0.343 -3.240 1.00 0.00 N ATOM 0 H HIS A 36 4.024 0.388 -7.455 1.00 0.00 H new ATOM 0 HA HIS A 36 5.684 -1.932 -7.052 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.874 -1.115 -6.264 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.541 -2.685 -5.860 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.766 -2.643 -4.208 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.667 0.982 -4.758 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.488 -1.065 -2.329 1.00 0.00 H new ATOM 221 N GLY A 37 3.728 -2.112 -9.550 1.00 0.00 N ATOM 222 CA GLY A 37 3.259 -2.940 -10.652 1.00 0.00 C ATOM 223 C GLY A 37 1.797 -3.322 -10.431 1.00 0.00 C ATOM 224 O GLY A 37 1.357 -3.393 -9.288 1.00 0.00 O ATOM 0 H GLY A 37 3.608 -1.113 -9.719 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.365 -2.401 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.871 -3.839 -10.729 1.00 0.00 H new ATOM 228 N GLY A 38 1.046 -3.560 -11.515 1.00 0.00 N ATOM 229 CA GLY A 38 -0.385 -3.864 -11.495 1.00 0.00 C ATOM 230 C GLY A 38 -0.771 -4.839 -10.382 1.00 0.00 C ATOM 231 O GLY A 38 -1.603 -4.538 -9.527 1.00 0.00 O ATOM 0 H GLY A 38 1.433 -3.545 -12.458 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.946 -2.938 -11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.675 -4.286 -12.457 1.00 0.00 H new ATOM 235 N ASP A 39 -0.140 -6.010 -10.390 1.00 0.00 N ATOM 236 CA ASP A 39 -0.404 -7.106 -9.469 1.00 0.00 C ATOM 237 C ASP A 39 0.207 -6.854 -8.083 1.00 0.00 C ATOM 238 O ASP A 39 0.005 -7.653 -7.171 1.00 0.00 O ATOM 239 CB ASP A 39 0.158 -8.400 -10.079 1.00 0.00 C ATOM 240 CG ASP A 39 -0.193 -8.570 -11.553 1.00 0.00 C ATOM 241 OD1 ASP A 39 0.328 -7.745 -12.340 1.00 0.00 O ATOM 242 OD2 ASP A 39 -0.971 -9.497 -11.860 1.00 0.00 O ATOM 0 H ASP A 39 0.595 -6.227 -11.063 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.481 -7.192 -9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.242 -8.406 -9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.225 -9.254 -9.520 1.00 0.00 H new ATOM 247 N LEU A 40 0.980 -5.771 -7.921 1.00 0.00 N ATOM 248 CA LEU A 40 1.664 -5.377 -6.690 1.00 0.00 C ATOM 249 C LEU A 40 2.764 -6.369 -6.306 1.00 0.00 C ATOM 250 O LEU A 40 3.244 -6.378 -5.168 1.00 0.00 O ATOM 251 CB LEU A 40 0.652 -5.098 -5.568 1.00 0.00 C ATOM 252 CG LEU A 40 -0.411 -4.077 -6.011 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.624 -4.160 -5.086 1.00 0.00 C ATOM 254 CD2 LEU A 40 0.166 -2.658 -6.026 1.00 0.00 C ATOM 0 H LEU A 40 1.151 -5.117 -8.685 1.00 0.00 H new ATOM 0 HA LEU A 40 2.185 -4.436 -6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.165 -6.028 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.176 -4.722 -4.689 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.725 -4.317 -7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.374 -3.435 -5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.047 -5.163 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.317 -3.940 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.605 -1.955 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.509 -2.394 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.005 -2.614 -6.721 1.00 0.00 H new ATOM 266 N THR A 41 3.211 -7.143 -7.298 1.00 0.00 N ATOM 267 CA THR A 41 4.266 -8.130 -7.222 1.00 0.00 C ATOM 268 C THR A 41 5.652 -7.485 -7.326 1.00 0.00 C ATOM 269 O THR A 41 6.649 -8.198 -7.288 1.00 0.00 O ATOM 270 CB THR A 41 4.031 -9.118 -8.370 1.00 0.00 C ATOM 271 OG1 THR A 41 3.757 -8.380 -9.548 1.00 0.00 O ATOM 272 CG2 THR A 41 2.828 -10.017 -8.071 1.00 0.00 C ATOM 0 H THR A 41 2.812 -7.085 -8.235 1.00 0.00 H new ATOM 0 HA THR A 41 4.242 -8.638 -6.258 1.00 0.00 H new ATOM 0 HB THR A 41 4.918 -9.739 -8.491 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.606 -8.998 -10.293 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.678 -10.711 -8.898 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.012 -10.578 -7.155 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.936 -9.402 -7.947 1.00 0.00 H new ATOM 280 N GLY A 42 5.732 -6.155 -7.444 1.00 0.00 N ATOM 281 CA GLY A 42 6.961 -5.418 -7.225 1.00 0.00 C ATOM 282 C GLY A 42 7.731 -5.174 -8.517 1.00 0.00 C ATOM 283 O GLY A 42 8.704 -5.870 -8.799 1.00 0.00 O ATOM 0 H GLY A 42 4.938 -5.566 -7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.729 -4.461 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.592 -5.969 -6.528 1.00 0.00 H new ATOM 287 N ALA A 43 7.303 -4.178 -9.299 1.00 0.00 N ATOM 288 CA ALA A 43 8.007 -3.775 -10.512 1.00 0.00 C ATOM 289 C ALA A 43 9.211 -2.878 -10.182 1.00 0.00 C ATOM 290 O ALA A 43 10.346 -3.344 -10.155 1.00 0.00 O ATOM 291 CB ALA A 43 7.022 -3.122 -11.489 1.00 0.00 C ATOM 0 H ALA A 43 6.462 -3.633 -9.107 1.00 0.00 H new ATOM 0 HA ALA A 43 8.418 -4.657 -11.004 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.551 -2.822 -12.393 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.238 -3.835 -11.746 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.575 -2.244 -11.023 1.00 0.00 H new ATOM 297 N SER A 44 8.971 -1.587 -9.938 1.00 0.00 N ATOM 298 CA SER A 44 9.983 -0.584 -9.605 1.00 0.00 C ATOM 299 C SER A 44 10.137 -0.402 -8.091 1.00 0.00 C ATOM 300 O SER A 44 10.885 0.464 -7.643 1.00 0.00 O ATOM 301 CB SER A 44 9.603 0.747 -10.259 1.00 0.00 C ATOM 302 OG SER A 44 9.407 0.569 -11.649 1.00 0.00 O ATOM 0 H SER A 44 8.029 -1.198 -9.969 1.00 0.00 H new ATOM 0 HA SER A 44 10.944 -0.930 -9.986 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.693 1.138 -9.803 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.388 1.483 -10.086 1.00 0.00 H new ATOM 0 HG SER A 44 9.163 1.426 -12.057 1.00 0.00 H new ATOM 308 N ALA A 45 9.390 -1.178 -7.309 1.00 0.00 N ATOM 309 CA ALA A 45 9.337 -1.172 -5.859 1.00 0.00 C ATOM 310 C ALA A 45 9.195 -2.641 -5.464 1.00 0.00 C ATOM 311 O ALA A 45 8.846 -3.444 -6.329 1.00 0.00 O ATOM 312 CB ALA A 45 8.122 -0.339 -5.456 1.00 0.00 C ATOM 0 H ALA A 45 8.762 -1.876 -7.707 1.00 0.00 H new ATOM 0 HA ALA A 45 10.211 -0.741 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.046 -0.309 -4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.233 0.675 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.219 -0.788 -5.871 1.00 0.00 H new ATOM 318 N PRO A 46 9.471 -3.039 -4.214 1.00 0.00 N ATOM 319 CA PRO A 46 9.318 -4.422 -3.804 1.00 0.00 C ATOM 320 C PRO A 46 7.855 -4.859 -3.886 1.00 0.00 C ATOM 321 O PRO A 46 6.936 -4.043 -3.992 1.00 0.00 O ATOM 322 CB PRO A 46 9.864 -4.502 -2.376 1.00 0.00 C ATOM 323 CG PRO A 46 9.676 -3.077 -1.861 1.00 0.00 C ATOM 324 CD PRO A 46 9.941 -2.230 -3.106 1.00 0.00 C ATOM 0 HA PRO A 46 9.863 -5.100 -4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.315 -5.226 -1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.912 -4.803 -2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.671 -2.918 -1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.373 -2.842 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.410 -1.279 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.001 -1.998 -3.208 1.00 0.00 H new ATOM 332 N ALA A 47 7.660 -6.175 -3.843 1.00 0.00 N ATOM 333 CA ALA A 47 6.355 -6.800 -3.901 1.00 0.00 C ATOM 334 C ALA A 47 5.611 -6.508 -2.604 1.00 0.00 C ATOM 335 O ALA A 47 6.033 -6.979 -1.548 1.00 0.00 O ATOM 336 CB ALA A 47 6.554 -8.301 -4.097 1.00 0.00 C ATOM 0 H ALA A 47 8.426 -6.845 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 47 5.765 -6.409 -4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.583 -8.794 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.096 -8.478 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.126 -8.704 -3.261 1.00 0.00 H new ATOM 342 N ILE A 48 4.530 -5.729 -2.676 1.00 0.00 N ATOM 343 CA ILE A 48 3.716 -5.414 -1.506 1.00 0.00 C ATOM 344 C ILE A 48 2.374 -6.134 -1.546 1.00 0.00 C ATOM 345 O ILE A 48 1.651 -6.098 -0.559 1.00 0.00 O ATOM 346 CB ILE A 48 3.656 -3.902 -1.203 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.984 -3.022 -2.265 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.091 -3.408 -0.992 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.456 -3.038 -2.178 1.00 0.00 C ATOM 0 H ILE A 48 4.198 -5.303 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 48 4.219 -5.819 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 48 3.024 -3.804 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.338 -1.997 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.289 -3.361 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.080 -2.340 -0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.541 -3.943 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.675 -3.589 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.041 -2.397 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.094 -4.057 -2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.143 -2.672 -1.200 1.00 0.00 H new ATOM 361 N ASP A 49 2.101 -6.892 -2.611 1.00 0.00 N ATOM 362 CA ASP A 49 1.053 -7.903 -2.674 1.00 0.00 C ATOM 363 C ASP A 49 0.829 -8.593 -1.322 1.00 0.00 C ATOM 364 O ASP A 49 -0.273 -8.601 -0.781 1.00 0.00 O ATOM 365 CB ASP A 49 1.442 -8.939 -3.755 1.00 0.00 C ATOM 366 CG ASP A 49 2.774 -9.695 -3.578 1.00 0.00 C ATOM 367 OD1 ASP A 49 3.636 -9.281 -2.761 1.00 0.00 O ATOM 368 OD2 ASP A 49 2.950 -10.717 -4.268 1.00 0.00 O ATOM 0 H ASP A 49 2.625 -6.812 -3.482 1.00 0.00 H new ATOM 0 HA ASP A 49 0.112 -7.417 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.643 -9.678 -3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.473 -8.425 -4.716 1.00 0.00 H new ATOM 373 N LYS A 50 1.914 -9.130 -0.774 1.00 0.00 N ATOM 374 CA LYS A 50 1.968 -9.977 0.403 1.00 0.00 C ATOM 375 C LYS A 50 2.274 -9.167 1.659 1.00 0.00 C ATOM 376 O LYS A 50 2.482 -9.743 2.724 1.00 0.00 O ATOM 377 CB LYS A 50 2.950 -11.140 0.166 1.00 0.00 C ATOM 378 CG LYS A 50 4.386 -10.963 0.692 1.00 0.00 C ATOM 379 CD LYS A 50 5.130 -9.714 0.192 1.00 0.00 C ATOM 380 CE LYS A 50 6.293 -10.098 -0.723 1.00 0.00 C ATOM 381 NZ LYS A 50 5.787 -10.671 -1.989 1.00 0.00 N ATOM 0 H LYS A 50 2.840 -8.971 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 50 0.986 -10.418 0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.530 -12.036 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.003 -11.325 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.353 -10.932 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.966 -11.844 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.438 -9.065 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.505 -9.145 1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.904 -9.220 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.936 -10.821 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.586 -10.864 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.280 -11.557 -1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.139 -9.995 -2.441 1.00 0.00 H new ATOM 395 N ALA A 51 2.384 -7.839 1.548 1.00 0.00 N ATOM 396 CA ALA A 51 2.790 -6.994 2.656 1.00 0.00 C ATOM 397 C ALA A 51 1.965 -7.288 3.905 1.00 0.00 C ATOM 398 O ALA A 51 2.534 -7.329 4.984 1.00 0.00 O ATOM 399 CB ALA A 51 2.713 -5.527 2.256 1.00 0.00 C ATOM 0 H ALA A 51 2.193 -7.329 0.686 1.00 0.00 H new ATOM 0 HA ALA A 51 3.828 -7.219 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.020 -4.904 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.375 -5.346 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.689 -5.279 1.976 1.00 0.00 H new ATOM 405 N GLY A 52 0.665 -7.566 3.770 1.00 0.00 N ATOM 406 CA GLY A 52 -0.173 -7.959 4.896 1.00 0.00 C ATOM 407 C GLY A 52 0.297 -9.209 5.648 1.00 0.00 C ATOM 408 O GLY A 52 -0.053 -9.392 6.817 1.00 0.00 O ATOM 0 H GLY A 52 0.170 -7.524 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.224 -7.128 5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.186 -8.131 4.533 1.00 0.00 H new ATOM 412 N ALA A 53 1.004 -10.124 4.976 1.00 0.00 N ATOM 413 CA ALA A 53 1.658 -11.257 5.624 1.00 0.00 C ATOM 414 C ALA A 53 2.898 -10.787 6.384 1.00 0.00 C ATOM 415 O ALA A 53 3.141 -11.219 7.507 1.00 0.00 O ATOM 416 CB ALA A 53 2.049 -12.327 4.598 1.00 0.00 C ATOM 0 H ALA A 53 1.137 -10.096 3.965 1.00 0.00 H new ATOM 0 HA ALA A 53 0.952 -11.698 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.534 -13.160 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.155 -12.685 4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.736 -11.898 3.869 1.00 0.00 H new ATOM 422 N ASN A 54 3.699 -9.925 5.753 1.00 0.00 N ATOM 423 CA ASN A 54 4.989 -9.506 6.295 1.00 0.00 C ATOM 424 C ASN A 54 4.811 -8.535 7.460 1.00 0.00 C ATOM 425 O ASN A 54 5.591 -8.562 8.408 1.00 0.00 O ATOM 426 CB ASN A 54 5.833 -8.811 5.215 1.00 0.00 C ATOM 427 CG ASN A 54 6.299 -9.729 4.090 1.00 0.00 C ATOM 428 OD1 ASN A 54 5.976 -10.911 4.037 1.00 0.00 O ATOM 429 ND2 ASN A 54 7.077 -9.186 3.157 1.00 0.00 N ATOM 0 H ASN A 54 3.470 -9.500 4.854 1.00 0.00 H new ATOM 0 HA ASN A 54 5.495 -10.406 6.644 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.250 -7.996 4.785 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.707 -8.363 5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.415 -9.755 2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.335 -8.201 3.218 1.00 0.00 H new ATOM 436 N TYR A 55 3.827 -7.645 7.341 1.00 0.00 N ATOM 437 CA TYR A 55 3.616 -6.470 8.172 1.00 0.00 C ATOM 438 C TYR A 55 2.114 -6.321 8.423 1.00 0.00 C ATOM 439 O TYR A 55 1.306 -6.854 7.661 1.00 0.00 O ATOM 440 CB TYR A 55 4.119 -5.219 7.433 1.00 0.00 C ATOM 441 CG TYR A 55 5.539 -5.252 6.898 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.604 -5.645 7.729 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.809 -4.766 5.603 1.00 0.00 C ATOM 444 CE1 TYR A 55 7.923 -5.627 7.241 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.131 -4.718 5.128 1.00 0.00 C ATOM 446 CZ TYR A 55 8.186 -5.151 5.946 1.00 0.00 C ATOM 447 OH TYR A 55 9.463 -5.116 5.476 1.00 0.00 O ATOM 0 H TYR A 55 3.115 -7.734 6.616 1.00 0.00 H new ATOM 0 HA TYR A 55 4.156 -6.579 9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.447 -5.028 6.596 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.033 -4.369 8.110 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.408 -5.961 8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.998 -4.430 4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.733 -5.979 7.862 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.335 -4.348 4.134 1.00 0.00 H new ATOM 0 HH TYR A 55 9.466 -4.760 4.563 1.00 0.00 H new ATOM 457 N SER A 56 1.733 -5.575 9.457 1.00 0.00 N ATOM 458 CA SER A 56 0.339 -5.318 9.794 1.00 0.00 C ATOM 459 C SER A 56 -0.143 -4.001 9.181 1.00 0.00 C ATOM 460 O SER A 56 0.652 -3.169 8.736 1.00 0.00 O ATOM 461 CB SER A 56 0.169 -5.322 11.317 1.00 0.00 C ATOM 462 OG SER A 56 0.081 -6.644 11.809 1.00 0.00 O ATOM 0 H SER A 56 2.394 -5.127 10.092 1.00 0.00 H new ATOM 0 HA SER A 56 -0.279 -6.111 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.012 -4.811 11.783 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.729 -4.768 11.589 1.00 0.00 H new ATOM 0 HG SER A 56 -0.025 -6.624 12.783 1.00 0.00 H new ATOM 468 N GLU A 57 -1.467 -3.806 9.173 1.00 0.00 N ATOM 469 CA GLU A 57 -2.094 -2.586 8.690 1.00 0.00 C ATOM 470 C GLU A 57 -1.439 -1.360 9.331 1.00 0.00 C ATOM 471 O GLU A 57 -1.090 -0.428 8.623 1.00 0.00 O ATOM 472 CB GLU A 57 -3.622 -2.616 8.877 1.00 0.00 C ATOM 473 CG GLU A 57 -4.094 -3.081 10.260 1.00 0.00 C ATOM 474 CD GLU A 57 -5.612 -2.987 10.349 1.00 0.00 C ATOM 475 OE1 GLU A 57 -6.264 -3.750 9.607 1.00 0.00 O ATOM 476 OE2 GLU A 57 -6.085 -2.142 11.138 1.00 0.00 O ATOM 0 H GLU A 57 -2.133 -4.502 9.507 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.930 -2.515 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.016 -1.617 8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.053 -3.273 8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.774 -4.108 10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.637 -2.466 11.035 1.00 0.00 H new ATOM 483 N GLU A 58 -1.216 -1.373 10.645 1.00 0.00 N ATOM 484 CA GLU A 58 -0.540 -0.300 11.370 1.00 0.00 C ATOM 485 C GLU A 58 0.774 0.138 10.690 1.00 0.00 C ATOM 486 O GLU A 58 0.993 1.322 10.437 1.00 0.00 O ATOM 487 CB GLU A 58 -0.364 -0.748 12.830 1.00 0.00 C ATOM 488 CG GLU A 58 0.464 -2.035 12.990 1.00 0.00 C ATOM 489 CD GLU A 58 0.012 -2.864 14.185 1.00 0.00 C ATOM 490 OE1 GLU A 58 0.041 -2.310 15.305 1.00 0.00 O ATOM 491 OE2 GLU A 58 -0.369 -4.031 13.947 1.00 0.00 O ATOM 0 H GLU A 58 -1.506 -2.145 11.246 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.152 0.602 11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.116 0.054 13.391 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.348 -0.902 13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.382 -2.633 12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.516 -1.776 13.107 1.00 0.00 H new ATOM 498 N GLU A 59 1.635 -0.823 10.356 1.00 0.00 N ATOM 499 CA GLU A 59 2.912 -0.581 9.700 1.00 0.00 C ATOM 500 C GLU A 59 2.688 -0.020 8.294 1.00 0.00 C ATOM 501 O GLU A 59 3.265 0.995 7.903 1.00 0.00 O ATOM 502 CB GLU A 59 3.671 -1.912 9.635 1.00 0.00 C ATOM 503 CG GLU A 59 4.060 -2.433 11.022 1.00 0.00 C ATOM 504 CD GLU A 59 4.667 -3.820 10.901 1.00 0.00 C ATOM 505 OE1 GLU A 59 3.859 -4.773 10.891 1.00 0.00 O ATOM 506 OE2 GLU A 59 5.905 -3.900 10.765 1.00 0.00 O ATOM 0 H GLU A 59 1.457 -1.810 10.539 1.00 0.00 H new ATOM 0 HA GLU A 59 3.492 0.152 10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.053 -2.655 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.570 -1.785 9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.773 -1.754 11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.182 -2.466 11.667 1.00 0.00 H new ATOM 513 N ILE A 60 1.850 -0.706 7.515 1.00 0.00 N ATOM 514 CA ILE A 60 1.610 -0.372 6.116 1.00 0.00 C ATOM 515 C ILE A 60 1.048 1.053 6.034 1.00 0.00 C ATOM 516 O ILE A 60 1.523 1.876 5.257 1.00 0.00 O ATOM 517 CB ILE A 60 0.679 -1.424 5.487 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.360 -2.802 5.428 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.245 -1.006 4.079 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.356 -3.957 5.360 1.00 0.00 C ATOM 0 H ILE A 60 1.318 -1.512 7.841 1.00 0.00 H new ATOM 0 HA ILE A 60 2.538 -0.391 5.544 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.204 -1.494 6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.013 -2.842 4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.993 -2.928 6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.412 -1.768 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.287 -0.056 4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.125 -0.896 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.893 -4.904 5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.281 -3.938 6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.260 -3.852 4.467 1.00 0.00 H new ATOM 532 N LEU A 61 0.053 1.340 6.872 1.00 0.00 N ATOM 533 CA LEU A 61 -0.546 2.646 7.080 1.00 0.00 C ATOM 534 C LEU A 61 0.534 3.689 7.277 1.00 0.00 C ATOM 535 O LEU A 61 0.580 4.678 6.541 1.00 0.00 O ATOM 536 CB LEU A 61 -1.438 2.591 8.326 1.00 0.00 C ATOM 537 CG LEU A 61 -2.162 3.901 8.660 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.076 4.324 7.511 1.00 0.00 C ATOM 539 CD2 LEU A 61 -2.989 3.711 9.935 1.00 0.00 C ATOM 0 H LEU A 61 -0.377 0.622 7.455 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.140 2.915 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.182 1.807 8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.826 2.303 9.181 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.419 4.684 8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.579 5.256 7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.482 4.471 6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.820 3.547 7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.505 4.640 10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.721 2.919 9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.330 3.438 10.759 1.00 0.00 H new ATOM 551 N ASP A 62 1.396 3.464 8.274 1.00 0.00 N ATOM 552 CA ASP A 62 2.444 4.424 8.563 1.00 0.00 C ATOM 553 C ASP A 62 3.273 4.645 7.304 1.00 0.00 C ATOM 554 O ASP A 62 3.463 5.780 6.881 1.00 0.00 O ATOM 555 CB ASP A 62 3.313 3.980 9.739 1.00 0.00 C ATOM 556 CG ASP A 62 4.329 5.070 10.048 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.914 6.087 10.651 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.486 4.907 9.607 1.00 0.00 O ATOM 0 H ASP A 62 1.384 2.642 8.878 1.00 0.00 H new ATOM 0 HA ASP A 62 1.988 5.368 8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.692 3.786 10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.824 3.048 9.498 1.00 0.00 H new ATOM 563 N ILE A 63 3.680 3.563 6.644 1.00 0.00 N ATOM 564 CA ILE A 63 4.519 3.650 5.455 1.00 0.00 C ATOM 565 C ILE A 63 3.827 4.468 4.361 1.00 0.00 C ATOM 566 O ILE A 63 4.450 5.320 3.736 1.00 0.00 O ATOM 567 CB ILE A 63 4.895 2.227 5.000 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.118 1.739 5.789 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.160 2.143 3.492 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.178 0.209 5.864 1.00 0.00 C ATOM 0 H ILE A 63 3.439 2.610 6.917 1.00 0.00 H new ATOM 0 HA ILE A 63 5.443 4.180 5.684 1.00 0.00 H new ATOM 0 HB ILE A 63 4.042 1.579 5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.027 2.115 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.087 2.151 6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.421 1.119 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.264 2.443 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.983 2.807 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.059 -0.093 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.282 -0.166 6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.236 -0.203 4.856 1.00 0.00 H new ATOM 582 N ILE A 64 2.537 4.244 4.120 1.00 0.00 N ATOM 583 CA ILE A 64 1.790 5.000 3.124 1.00 0.00 C ATOM 584 C ILE A 64 1.785 6.481 3.498 1.00 0.00 C ATOM 585 O ILE A 64 2.098 7.345 2.675 1.00 0.00 O ATOM 586 CB ILE A 64 0.366 4.439 3.023 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.437 3.010 2.472 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.515 5.310 2.116 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.801 2.226 2.898 1.00 0.00 C ATOM 0 H ILE A 64 1.985 3.538 4.607 1.00 0.00 H new ATOM 0 HA ILE A 64 2.264 4.904 2.147 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.084 4.438 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.507 3.034 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.336 2.514 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.517 4.885 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.569 6.320 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.085 5.344 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.743 1.212 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.852 2.189 3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.694 2.716 2.510 1.00 0.00 H new ATOM 601 N LEU A 65 1.419 6.772 4.747 1.00 0.00 N ATOM 602 CA LEU A 65 1.334 8.130 5.246 1.00 0.00 C ATOM 603 C LEU A 65 2.692 8.841 5.180 1.00 0.00 C ATOM 604 O LEU A 65 2.725 10.035 4.865 1.00 0.00 O ATOM 605 CB LEU A 65 0.804 8.116 6.686 1.00 0.00 C ATOM 606 CG LEU A 65 -0.667 7.686 6.850 1.00 0.00 C ATOM 607 CD1 LEU A 65 -0.963 7.461 8.336 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.600 8.771 6.330 1.00 0.00 C ATOM 0 H LEU A 65 1.174 6.063 5.438 1.00 0.00 H new ATOM 0 HA LEU A 65 0.644 8.686 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.428 7.446 7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.921 9.115 7.107 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.828 6.769 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.003 7.157 8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.308 6.680 8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.789 8.386 8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.635 8.451 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.436 9.691 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.399 8.948 5.274 1.00 0.00 H new ATOM 620 N ASN A 66 3.773 8.122 5.500 1.00 0.00 N ATOM 621 CA ASN A 66 5.123 8.634 5.732 1.00 0.00 C ATOM 622 C ASN A 66 5.976 8.557 4.472 1.00 0.00 C ATOM 623 O ASN A 66 6.473 9.578 4.004 1.00 0.00 O ATOM 624 CB ASN A 66 5.827 7.819 6.832 1.00 0.00 C ATOM 625 CG ASN A 66 5.392 8.196 8.245 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.125 8.858 8.973 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.202 7.762 8.635 1.00 0.00 N ATOM 0 H ASN A 66 3.724 7.109 5.610 1.00 0.00 H new ATOM 0 HA ASN A 66 5.018 9.676 6.036 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.629 6.759 6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.904 7.959 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.864 7.976 9.573 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.625 7.214 7.997 1.00 0.00 H new ATOM 634 N GLY A 67 6.185 7.339 3.964 1.00 0.00 N ATOM 635 CA GLY A 67 7.125 6.989 2.912 1.00 0.00 C ATOM 636 C GLY A 67 7.837 5.677 3.254 1.00 0.00 C ATOM 637 O GLY A 67 7.542 5.041 4.265 1.00 0.00 O ATOM 0 H GLY A 67 5.668 6.527 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.599 6.889 1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.857 7.787 2.788 1.00 0.00 H new ATOM 641 N GLN A 68 8.788 5.296 2.403 1.00 0.00 N ATOM 642 CA GLN A 68 9.788 4.249 2.595 1.00 0.00 C ATOM 643 C GLN A 68 10.983 4.720 1.747 1.00 0.00 C ATOM 644 O GLN A 68 10.785 5.599 0.914 1.00 0.00 O ATOM 645 CB GLN A 68 9.262 2.867 2.126 1.00 0.00 C ATOM 646 CG GLN A 68 10.293 1.738 2.203 1.00 0.00 C ATOM 647 CD GLN A 68 10.961 1.497 3.546 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.594 2.391 4.102 1.00 0.00 O ATOM 649 NE2 GLN A 68 10.906 0.263 4.027 1.00 0.00 N ATOM 0 H GLN A 68 8.886 5.746 1.493 1.00 0.00 H new ATOM 0 HA GLN A 68 10.051 4.108 3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.398 2.596 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.914 2.955 1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.804 0.813 1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.073 1.943 1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.369 -0.452 3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.400 0.029 4.888 1.00 0.00 H new ATOM 658 N GLY A 69 12.185 4.162 1.935 1.00 0.00 N ATOM 659 CA GLY A 69 13.408 4.417 1.162 1.00 0.00 C ATOM 660 C GLY A 69 13.262 5.344 -0.058 1.00 0.00 C ATOM 661 O GLY A 69 13.385 6.559 0.084 1.00 0.00 O ATOM 0 H GLY A 69 12.340 3.478 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.153 4.847 1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.802 3.460 0.820 1.00 0.00 H new ATOM 665 N GLY A 70 13.001 4.795 -1.252 1.00 0.00 N ATOM 666 CA GLY A 70 12.775 5.561 -2.476 1.00 0.00 C ATOM 667 C GLY A 70 11.288 5.692 -2.822 1.00 0.00 C ATOM 668 O GLY A 70 10.924 5.709 -3.997 1.00 0.00 O ATOM 0 H GLY A 70 12.941 3.786 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.207 6.555 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.296 5.079 -3.303 1.00 0.00 H new ATOM 672 N MET A 71 10.425 5.795 -1.809 1.00 0.00 N ATOM 673 CA MET A 71 8.984 5.979 -1.937 1.00 0.00 C ATOM 674 C MET A 71 8.613 7.354 -1.372 1.00 0.00 C ATOM 675 O MET A 71 8.910 7.609 -0.206 1.00 0.00 O ATOM 676 CB MET A 71 8.301 4.871 -1.136 1.00 0.00 C ATOM 677 CG MET A 71 6.774 4.927 -1.145 1.00 0.00 C ATOM 678 SD MET A 71 6.042 3.468 -0.360 1.00 0.00 S ATOM 679 CE MET A 71 4.502 4.167 0.283 1.00 0.00 C ATOM 0 H MET A 71 10.728 5.750 -0.836 1.00 0.00 H new ATOM 0 HA MET A 71 8.666 5.930 -2.979 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.618 3.906 -1.532 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.647 4.921 -0.104 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.440 5.825 -0.625 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.419 5.003 -2.173 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.961 3.403 0.842 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.730 5.005 0.941 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.886 4.514 -0.546 1.00 0.00 H new ATOM 689 N PRO A 72 7.953 8.233 -2.145 1.00 0.00 N ATOM 690 CA PRO A 72 7.735 9.621 -1.756 1.00 0.00 C ATOM 691 C PRO A 72 6.908 9.750 -0.480 1.00 0.00 C ATOM 692 O PRO A 72 7.180 10.615 0.348 1.00 0.00 O ATOM 693 CB PRO A 72 7.071 10.300 -2.960 1.00 0.00 C ATOM 694 CG PRO A 72 6.449 9.143 -3.741 1.00 0.00 C ATOM 695 CD PRO A 72 7.419 7.993 -3.473 1.00 0.00 C ATOM 0 HA PRO A 72 8.679 10.107 -1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.316 11.021 -2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.798 10.843 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.443 8.913 -3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.373 9.368 -4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.909 7.031 -3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.215 7.970 -4.217 1.00 0.00 H new ATOM 703 N GLY A 73 5.899 8.892 -0.325 1.00 0.00 N ATOM 704 CA GLY A 73 5.078 8.867 0.869 1.00 0.00 C ATOM 705 C GLY A 73 4.009 9.949 0.844 1.00 0.00 C ATOM 706 O GLY A 73 4.038 10.877 0.038 1.00 0.00 O ATOM 0 H GLY A 73 5.635 8.200 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.604 7.890 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.710 9.001 1.747 1.00 0.00 H new ATOM 710 N GLY A 74 3.002 9.782 1.699 1.00 0.00 N ATOM 711 CA GLY A 74 1.833 10.646 1.716 1.00 0.00 C ATOM 712 C GLY A 74 1.038 10.541 0.417 1.00 0.00 C ATOM 713 O GLY A 74 0.250 11.427 0.098 1.00 0.00 O ATOM 0 H GLY A 74 2.978 9.041 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.194 10.378 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.145 11.679 1.870 1.00 0.00 H new ATOM 717 N ILE A 75 1.226 9.437 -0.310 1.00 0.00 N ATOM 718 CA ILE A 75 0.584 9.163 -1.584 1.00 0.00 C ATOM 719 C ILE A 75 -0.924 9.032 -1.379 1.00 0.00 C ATOM 720 O ILE A 75 -1.707 9.353 -2.275 1.00 0.00 O ATOM 721 CB ILE A 75 1.208 7.883 -2.159 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.691 8.114 -2.508 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.470 7.378 -3.404 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.519 6.905 -2.075 1.00 0.00 C ATOM 0 H ILE A 75 1.852 8.688 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 75 0.739 9.976 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 75 1.121 7.121 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.801 8.276 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.055 9.013 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.952 6.471 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.567 7.160 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.500 8.143 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.567 7.073 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.420 6.763 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.162 6.015 -2.593 1.00 0.00 H new ATOM 736 N ALA A 76 -1.328 8.567 -0.195 1.00 0.00 N ATOM 737 CA ALA A 76 -2.699 8.552 0.268 1.00 0.00 C ATOM 738 C ALA A 76 -2.640 8.947 1.738 1.00 0.00 C ATOM 739 O ALA A 76 -1.620 8.676 2.376 1.00 0.00 O ATOM 740 CB ALA A 76 -3.269 7.143 0.086 1.00 0.00 C ATOM 0 H ALA A 76 -0.677 8.178 0.487 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.344 9.235 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.302 7.121 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.234 6.870 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.677 6.434 0.665 1.00 0.00 H new ATOM 746 N LYS A 77 -3.672 9.603 2.280 1.00 0.00 N ATOM 747 CA LYS A 77 -3.732 9.950 3.684 1.00 0.00 C ATOM 748 C LYS A 77 -5.159 9.847 4.232 1.00 0.00 C ATOM 749 O LYS A 77 -6.125 9.760 3.476 1.00 0.00 O ATOM 750 CB LYS A 77 -3.121 11.338 3.918 1.00 0.00 C ATOM 751 CG LYS A 77 -1.608 11.449 3.629 1.00 0.00 C ATOM 752 CD LYS A 77 -1.007 12.641 4.394 1.00 0.00 C ATOM 753 CE LYS A 77 0.401 13.053 3.919 1.00 0.00 C ATOM 754 NZ LYS A 77 1.518 12.356 4.605 1.00 0.00 N ATOM 0 H LYS A 77 -4.487 9.905 1.746 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.137 9.226 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.648 12.059 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.298 11.625 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.106 10.528 3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.443 11.574 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.676 13.496 4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.962 12.392 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.477 12.865 2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.518 14.127 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.425 12.718 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.456 12.526 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.456 11.335 4.419 1.00 0.00 H new ATOM 768 N GLY A 78 -5.279 9.830 5.565 1.00 0.00 N ATOM 769 CA GLY A 78 -6.548 9.671 6.261 1.00 0.00 C ATOM 770 C GLY A 78 -7.247 8.384 5.830 1.00 0.00 C ATOM 771 O GLY A 78 -6.582 7.378 5.565 1.00 0.00 O ATOM 0 H GLY A 78 -4.482 9.928 6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.378 9.654 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.191 10.526 6.053 1.00 0.00 H new ATOM 775 N ALA A 79 -8.575 8.456 5.685 1.00 0.00 N ATOM 776 CA ALA A 79 -9.432 7.348 5.282 1.00 0.00 C ATOM 777 C ALA A 79 -8.867 6.592 4.081 1.00 0.00 C ATOM 778 O ALA A 79 -9.015 5.377 3.993 1.00 0.00 O ATOM 779 CB ALA A 79 -10.839 7.867 4.975 1.00 0.00 C ATOM 0 H ALA A 79 -9.095 9.318 5.852 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.477 6.642 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.476 7.035 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.255 8.339 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.789 8.597 4.167 1.00 0.00 H new ATOM 785 N GLU A 80 -8.219 7.306 3.155 1.00 0.00 N ATOM 786 CA GLU A 80 -7.568 6.702 2.009 1.00 0.00 C ATOM 787 C GLU A 80 -6.498 5.705 2.480 1.00 0.00 C ATOM 788 O GLU A 80 -6.541 4.526 2.126 1.00 0.00 O ATOM 789 CB GLU A 80 -6.993 7.825 1.131 1.00 0.00 C ATOM 790 CG GLU A 80 -6.782 7.392 -0.323 1.00 0.00 C ATOM 791 CD GLU A 80 -6.028 8.433 -1.139 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.656 9.489 -0.585 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.775 8.154 -2.329 1.00 0.00 O ATOM 0 H GLU A 80 -8.136 8.322 3.188 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.278 6.133 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.667 8.681 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.042 8.156 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.231 6.452 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.750 7.204 -0.787 1.00 0.00 H new ATOM 800 N ALA A 81 -5.543 6.157 3.300 1.00 0.00 N ATOM 801 CA ALA A 81 -4.457 5.311 3.759 1.00 0.00 C ATOM 802 C ALA A 81 -4.977 4.229 4.704 1.00 0.00 C ATOM 803 O ALA A 81 -4.510 3.097 4.635 1.00 0.00 O ATOM 804 CB ALA A 81 -3.373 6.165 4.413 1.00 0.00 C ATOM 0 H ALA A 81 -5.508 7.112 3.657 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.013 4.803 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.561 5.523 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.988 6.882 3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.795 6.700 5.263 1.00 0.00 H new ATOM 810 N GLU A 82 -5.944 4.557 5.567 1.00 0.00 N ATOM 811 CA GLU A 82 -6.596 3.576 6.429 1.00 0.00 C ATOM 812 C GLU A 82 -7.202 2.451 5.586 1.00 0.00 C ATOM 813 O GLU A 82 -6.921 1.270 5.809 1.00 0.00 O ATOM 814 CB GLU A 82 -7.658 4.271 7.287 1.00 0.00 C ATOM 815 CG GLU A 82 -7.020 5.262 8.271 1.00 0.00 C ATOM 816 CD GLU A 82 -8.078 6.032 9.048 1.00 0.00 C ATOM 817 OE1 GLU A 82 -8.626 6.989 8.458 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.323 5.651 10.211 1.00 0.00 O ATOM 0 H GLU A 82 -6.293 5.508 5.685 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.859 3.128 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.362 4.798 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.229 3.524 7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.376 4.723 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.386 5.961 7.726 1.00 0.00 H new ATOM 825 N ALA A 83 -8.019 2.829 4.597 1.00 0.00 N ATOM 826 CA ALA A 83 -8.638 1.897 3.671 1.00 0.00 C ATOM 827 C ALA A 83 -7.572 1.014 3.032 1.00 0.00 C ATOM 828 O ALA A 83 -7.689 -0.210 3.100 1.00 0.00 O ATOM 829 CB ALA A 83 -9.459 2.647 2.620 1.00 0.00 C ATOM 0 H ALA A 83 -8.267 3.803 4.422 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.325 1.252 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.915 1.931 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.240 3.225 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.808 3.319 2.061 1.00 0.00 H new ATOM 835 N VAL A 84 -6.528 1.624 2.444 1.00 0.00 N ATOM 836 CA VAL A 84 -5.413 0.854 1.908 1.00 0.00 C ATOM 837 C VAL A 84 -4.916 -0.134 2.959 1.00 0.00 C ATOM 838 O VAL A 84 -4.914 -1.331 2.720 1.00 0.00 O ATOM 839 CB VAL A 84 -4.229 1.721 1.439 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.062 0.801 1.051 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.520 2.575 0.207 1.00 0.00 C ATOM 0 H VAL A 84 -6.441 2.634 2.333 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.797 0.336 1.029 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.009 2.387 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.218 1.405 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.764 0.207 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.374 0.137 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.633 3.152 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.790 1.929 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.345 3.254 0.422 1.00 0.00 H new ATOM 851 N ALA A 85 -4.435 0.361 4.095 1.00 0.00 N ATOM 852 CA ALA A 85 -3.756 -0.439 5.099 1.00 0.00 C ATOM 853 C ALA A 85 -4.576 -1.669 5.478 1.00 0.00 C ATOM 854 O ALA A 85 -4.063 -2.784 5.422 1.00 0.00 O ATOM 855 CB ALA A 85 -3.475 0.436 6.312 1.00 0.00 C ATOM 0 H ALA A 85 -4.509 1.347 4.345 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.814 -0.806 4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.965 -0.152 7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.843 1.274 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.415 0.814 6.714 1.00 0.00 H new ATOM 861 N ALA A 86 -5.848 -1.475 5.834 1.00 0.00 N ATOM 862 CA ALA A 86 -6.727 -2.582 6.197 1.00 0.00 C ATOM 863 C ALA A 86 -6.814 -3.600 5.055 1.00 0.00 C ATOM 864 O ALA A 86 -6.510 -4.783 5.219 1.00 0.00 O ATOM 865 CB ALA A 86 -8.107 -2.032 6.564 1.00 0.00 C ATOM 0 H ALA A 86 -6.291 -0.557 5.878 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.318 -3.103 7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.767 -2.856 6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.014 -1.348 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.525 -1.499 5.710 1.00 0.00 H new ATOM 871 N TRP A 87 -7.209 -3.129 3.871 1.00 0.00 N ATOM 872 CA TRP A 87 -7.324 -3.955 2.676 1.00 0.00 C ATOM 873 C TRP A 87 -6.014 -4.703 2.381 1.00 0.00 C ATOM 874 O TRP A 87 -6.015 -5.867 2.001 1.00 0.00 O ATOM 875 CB TRP A 87 -7.726 -3.030 1.529 1.00 0.00 C ATOM 876 CG TRP A 87 -7.459 -3.521 0.146 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.225 -4.343 -0.601 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.287 -3.236 -0.656 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.499 -4.757 -1.703 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.282 -4.110 -1.774 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.196 -2.362 -0.510 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.184 -4.167 -2.642 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.158 -2.340 -1.448 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.186 -3.205 -2.548 1.00 0.00 C ATOM 0 H TRP A 87 -7.460 -2.152 3.717 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.078 -4.729 2.815 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.793 -2.824 1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.206 -2.081 1.659 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.241 -4.631 -0.375 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -7.822 -5.451 -2.377 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.158 -1.697 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.114 -4.953 -3.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.333 -1.654 -1.323 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.435 -3.125 -3.320 1.00 0.00 H new ATOM 895 N LEU A 88 -4.876 -4.042 2.545 1.00 0.00 N ATOM 896 CA LEU A 88 -3.580 -4.609 2.212 1.00 0.00 C ATOM 897 C LEU A 88 -3.096 -5.566 3.302 1.00 0.00 C ATOM 898 O LEU A 88 -2.430 -6.557 3.015 1.00 0.00 O ATOM 899 CB LEU A 88 -2.609 -3.491 1.828 1.00 0.00 C ATOM 900 CG LEU A 88 -1.673 -3.799 0.651 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.546 -4.675 1.115 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.225 -4.486 -0.605 1.00 0.00 C ATOM 0 H LEU A 88 -4.828 -3.093 2.915 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.656 -5.242 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.187 -2.600 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.000 -3.248 2.699 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.407 -2.789 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.116 -4.891 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.015 -4.163 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.949 -5.608 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.421 -4.622 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.640 -5.457 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.007 -3.867 -1.044 1.00 0.00 H new ATOM 914 N ALA A 89 -3.515 -5.332 4.546 1.00 0.00 N ATOM 915 CA ALA A 89 -3.376 -6.288 5.636 1.00 0.00 C ATOM 916 C ALA A 89 -4.258 -7.515 5.416 1.00 0.00 C ATOM 917 O ALA A 89 -3.920 -8.597 5.898 1.00 0.00 O ATOM 918 CB ALA A 89 -3.671 -5.627 6.977 1.00 0.00 C ATOM 0 H ALA A 89 -3.966 -4.461 4.825 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.341 -6.630 5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.561 -6.360 7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.973 -4.806 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.691 -5.242 6.976 1.00 0.00 H new ATOM 924 N GLU A 90 -5.372 -7.353 4.698 1.00 0.00 N ATOM 925 CA GLU A 90 -6.206 -8.448 4.215 1.00 0.00 C ATOM 926 C GLU A 90 -5.533 -9.165 3.034 1.00 0.00 C ATOM 927 O GLU A 90 -5.698 -10.375 2.888 1.00 0.00 O ATOM 928 CB GLU A 90 -7.610 -7.895 3.908 1.00 0.00 C ATOM 929 CG GLU A 90 -8.595 -8.894 3.266 1.00 0.00 C ATOM 930 CD GLU A 90 -8.672 -8.826 1.735 1.00 0.00 C ATOM 931 OE1 GLU A 90 -7.612 -8.780 1.074 1.00 0.00 O ATOM 932 OE2 GLU A 90 -9.803 -8.854 1.213 1.00 0.00 O ATOM 0 H GLU A 90 -5.725 -6.434 4.432 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.323 -9.218 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.047 -7.527 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.506 -7.037 3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.308 -9.904 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.590 -8.716 3.674 1.00 0.00 H new ATOM 939 N LYS A 91 -4.739 -8.447 2.225 1.00 0.00 N ATOM 940 CA LYS A 91 -4.294 -8.833 0.884 1.00 0.00 C ATOM 941 C LYS A 91 -3.420 -10.094 0.722 1.00 0.00 C ATOM 942 O LYS A 91 -2.774 -10.286 -0.305 1.00 0.00 O ATOM 943 CB LYS A 91 -3.808 -7.620 0.081 1.00 0.00 C ATOM 944 CG LYS A 91 -3.816 -7.770 -1.453 1.00 0.00 C ATOM 945 CD LYS A 91 -5.216 -8.086 -2.005 1.00 0.00 C ATOM 946 CE LYS A 91 -5.628 -9.568 -1.866 1.00 0.00 C ATOM 947 NZ LYS A 91 -6.997 -9.702 -1.309 1.00 0.00 N ATOM 0 H LYS A 91 -4.374 -7.537 2.505 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.211 -9.208 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.429 -6.764 0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.791 -7.385 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.449 -6.850 -1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.127 -8.564 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.948 -7.466 -1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.251 -7.807 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.582 -10.053 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.919 -10.085 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.179 -10.698 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.081 -9.120 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.692 -9.383 -2.014 1.00 0.00 H new ATOM 961 N LYS A 92 -3.267 -10.875 1.769 1.00 0.00 N ATOM 962 CA LYS A 92 -2.097 -11.675 2.031 1.00 0.00 C ATOM 963 C LYS A 92 -2.333 -13.172 1.834 1.00 0.00 C ATOM 964 O LYS A 92 -3.511 -13.562 1.674 1.00 0.00 O ATOM 965 CB LYS A 92 -1.750 -11.314 3.448 1.00 0.00 C ATOM 966 CG LYS A 92 -2.707 -11.886 4.505 1.00 0.00 C ATOM 967 CD LYS A 92 -2.261 -11.279 5.828 1.00 0.00 C ATOM 968 CE LYS A 92 -3.277 -11.347 6.965 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.062 -10.196 7.865 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.329 -13.911 1.904 1.00 0.00 O ATOM 0 H LYS A 92 -3.984 -10.972 2.488 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.285 -11.471 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.741 -11.666 3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.735 -10.228 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.741 -11.623 4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.654 -12.974 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.350 -11.784 6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.003 -10.234 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.291 -11.330 6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.166 -12.282 7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.575 -10.352 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.046 -10.096 8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.413 -9.329 7.410 1.00 0.00 H new