USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 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 44 ASN : amide:sc= -0.257 X(o=-2.1,f=-2) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.82 X(o=-2.1,f=-1.9!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 170:sc= -0.0707 USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.197 (180deg=-1.15) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.022) USER MOD Single : A 15 SER OG : rot 180:sc= 0.15 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.166 K(o=-0.17,f=-1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.9) USER MOD Single : A 57 THR OG1 : rot 20:sc= 0.32! USER MOD Single : A 58 ASN : amide:sc= -3.52! C(o=-3.5!,f=-5.6!) USER MOD Single : A 59 ASN : amide:sc= -5.27 X(o=-5.3,f=-5!) USER MOD Single : A 63 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.087 1.895 1.655 1.00 0.00 N ATOM 2 CA ALA A 1 15.084 1.296 3.019 1.00 0.00 C ATOM 3 C ALA A 1 13.769 0.548 3.246 1.00 0.00 C ATOM 4 O ALA A 1 13.747 -0.661 3.372 1.00 0.00 O ATOM 5 CB ALA A 1 15.226 2.406 4.063 1.00 0.00 C ATOM 0 H1 ALA A 1 15.981 2.403 1.501 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.990 1.141 0.945 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.291 2.559 1.566 1.00 0.00 H new ATOM 0 HA ALA A 1 15.918 0.600 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.224 1.969 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.163 2.939 3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.392 3.102 3.970 1.00 0.00 H new ATOM 13 N ILE A 2 12.671 1.263 3.298 1.00 0.00 N ATOM 14 CA ILE A 2 11.345 0.606 3.517 1.00 0.00 C ATOM 15 C ILE A 2 11.351 -0.135 4.858 1.00 0.00 C ATOM 16 O ILE A 2 11.492 -1.343 4.910 1.00 0.00 O ATOM 17 CB ILE A 2 11.068 -0.384 2.381 1.00 0.00 C ATOM 18 CG1 ILE A 2 11.200 0.336 1.037 1.00 0.00 C ATOM 19 CG2 ILE A 2 9.651 -0.942 2.523 1.00 0.00 C ATOM 20 CD1 ILE A 2 11.081 -0.680 -0.101 1.00 0.00 C ATOM 0 H ILE A 2 12.637 2.277 3.198 1.00 0.00 H new ATOM 0 HA ILE A 2 10.564 1.366 3.531 1.00 0.00 H new ATOM 0 HB ILE A 2 11.786 -1.203 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.425 1.096 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.159 0.850 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.455 -1.646 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.556 -1.453 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 2 8.932 -0.125 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 2 11.175 -0.167 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 2 11.872 -1.424 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.111 -1.174 -0.048 1.00 0.00 H new ATOM 32 N GLU A 3 11.199 0.584 5.941 1.00 0.00 N ATOM 33 CA GLU A 3 11.194 -0.066 7.284 1.00 0.00 C ATOM 34 C GLU A 3 9.773 -0.517 7.627 1.00 0.00 C ATOM 35 O GLU A 3 8.845 -0.295 6.871 1.00 0.00 O ATOM 36 CB GLU A 3 11.681 0.932 8.336 1.00 0.00 C ATOM 37 CG GLU A 3 13.209 1.008 8.300 1.00 0.00 C ATOM 38 CD GLU A 3 13.714 1.753 9.537 1.00 0.00 C ATOM 39 OE1 GLU A 3 13.045 2.683 9.957 1.00 0.00 O ATOM 40 OE2 GLU A 3 14.760 1.382 10.042 1.00 0.00 O ATOM 0 H GLU A 3 11.078 1.597 5.952 1.00 0.00 H new ATOM 0 HA GLU A 3 11.856 -0.932 7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.253 1.916 8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.345 0.625 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 3 13.633 0.004 8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.537 1.520 7.395 1.00 0.00 H new ATOM 47 N ARG A 4 9.598 -1.149 8.760 1.00 0.00 N ATOM 48 CA ARG A 4 8.240 -1.619 9.158 1.00 0.00 C ATOM 49 C ARG A 4 7.532 -0.526 9.962 1.00 0.00 C ATOM 50 O ARG A 4 8.052 -0.029 10.943 1.00 0.00 O ATOM 51 CB ARG A 4 8.368 -2.881 10.016 1.00 0.00 C ATOM 52 CG ARG A 4 7.101 -3.727 9.871 1.00 0.00 C ATOM 53 CD ARG A 4 7.205 -4.960 10.770 1.00 0.00 C ATOM 54 NE ARG A 4 6.266 -6.010 10.284 1.00 0.00 N ATOM 55 CZ ARG A 4 5.570 -6.709 11.138 1.00 0.00 C ATOM 56 NH1 ARG A 4 6.118 -7.722 11.753 1.00 0.00 N ATOM 57 NH2 ARG A 4 4.326 -6.397 11.378 1.00 0.00 N ATOM 0 H ARG A 4 10.340 -1.359 9.427 1.00 0.00 H new ATOM 0 HA ARG A 4 7.659 -1.843 8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.240 -3.457 9.707 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.519 -2.610 11.061 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.225 -3.138 10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.971 -4.031 8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.226 -5.341 10.766 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.968 -4.693 11.800 1.00 0.00 H new ATOM 0 HE ARG A 4 6.167 -6.182 9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.090 -7.967 11.566 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.574 -8.268 12.421 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.897 -5.606 10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.783 -6.944 12.046 1.00 0.00 H new ATOM 71 N GLY A 5 6.348 -0.153 9.550 1.00 0.00 N ATOM 72 CA GLY A 5 5.590 0.907 10.280 1.00 0.00 C ATOM 73 C GLY A 5 6.125 2.297 9.911 1.00 0.00 C ATOM 74 O GLY A 5 5.870 3.265 10.603 1.00 0.00 O ATOM 0 H GLY A 5 5.871 -0.539 8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.530 0.841 10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.677 0.750 11.355 1.00 0.00 H new ATOM 78 N SER A 6 6.860 2.408 8.829 1.00 0.00 N ATOM 79 CA SER A 6 7.402 3.738 8.422 1.00 0.00 C ATOM 80 C SER A 6 6.405 4.430 7.490 1.00 0.00 C ATOM 81 O SER A 6 5.531 3.800 6.926 1.00 0.00 O ATOM 82 CB SER A 6 8.732 3.544 7.693 1.00 0.00 C ATOM 83 OG SER A 6 9.231 4.811 7.283 1.00 0.00 O ATOM 0 H SER A 6 7.106 1.634 8.213 1.00 0.00 H new ATOM 0 HA SER A 6 7.560 4.354 9.307 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.451 3.052 8.348 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.594 2.897 6.827 1.00 0.00 H new ATOM 0 HG SER A 6 10.151 4.712 6.962 1.00 0.00 H new ATOM 89 N LYS A 7 6.534 5.722 7.322 1.00 0.00 N ATOM 90 CA LYS A 7 5.601 6.462 6.422 1.00 0.00 C ATOM 91 C LYS A 7 6.124 6.388 4.987 1.00 0.00 C ATOM 92 O LYS A 7 7.184 6.901 4.679 1.00 0.00 O ATOM 93 CB LYS A 7 5.518 7.925 6.862 1.00 0.00 C ATOM 94 CG LYS A 7 4.683 8.029 8.140 1.00 0.00 C ATOM 95 CD LYS A 7 5.606 7.988 9.359 1.00 0.00 C ATOM 96 CE LYS A 7 4.801 8.304 10.620 1.00 0.00 C ATOM 97 NZ LYS A 7 4.168 9.646 10.482 1.00 0.00 N ATOM 0 H LYS A 7 7.247 6.297 7.771 1.00 0.00 H new ATOM 0 HA LYS A 7 4.609 6.014 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.519 8.320 7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.070 8.528 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.108 8.955 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.966 7.209 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.067 7.004 9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.414 8.709 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.036 7.544 10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.452 8.285 11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.993 10.046 11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.803 10.276 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.266 9.554 9.972 1.00 0.00 H new ATOM 111 N VAL A 8 5.391 5.751 4.108 1.00 0.00 N ATOM 112 CA VAL A 8 5.848 5.639 2.691 1.00 0.00 C ATOM 113 C VAL A 8 4.863 6.355 1.765 1.00 0.00 C ATOM 114 O VAL A 8 3.683 6.062 1.755 1.00 0.00 O ATOM 115 CB VAL A 8 5.956 4.159 2.295 1.00 0.00 C ATOM 116 CG1 VAL A 8 6.938 3.454 3.232 1.00 0.00 C ATOM 117 CG2 VAL A 8 4.584 3.478 2.396 1.00 0.00 C ATOM 0 H VAL A 8 4.497 5.304 4.311 1.00 0.00 H new ATOM 0 HA VAL A 8 6.828 6.107 2.595 1.00 0.00 H new ATOM 0 HB VAL A 8 6.310 4.094 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.016 2.403 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.918 3.925 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.580 3.531 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.676 2.430 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.219 3.546 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.881 3.974 1.727 1.00 0.00 H new ATOM 127 N LYS A 9 5.347 7.281 0.980 1.00 0.00 N ATOM 128 CA LYS A 9 4.452 8.011 0.040 1.00 0.00 C ATOM 129 C LYS A 9 4.208 7.127 -1.182 1.00 0.00 C ATOM 130 O LYS A 9 5.113 6.844 -1.940 1.00 0.00 O ATOM 131 CB LYS A 9 5.118 9.318 -0.398 1.00 0.00 C ATOM 132 CG LYS A 9 4.147 10.122 -1.266 1.00 0.00 C ATOM 133 CD LYS A 9 4.859 11.356 -1.834 1.00 0.00 C ATOM 134 CE LYS A 9 5.279 11.095 -3.284 1.00 0.00 C ATOM 135 NZ LYS A 9 5.010 12.310 -4.104 1.00 0.00 N ATOM 0 H LYS A 9 6.327 7.563 0.951 1.00 0.00 H new ATOM 0 HA LYS A 9 3.507 8.243 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.409 9.901 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.030 9.104 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.772 9.501 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.284 10.428 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.198 12.221 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.735 11.592 -1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.338 10.841 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.730 10.243 -3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.295 12.134 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.995 12.533 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.553 13.112 -3.725 1.00 0.00 H new ATOM 149 N ILE A 10 2.993 6.681 -1.369 1.00 0.00 N ATOM 150 CA ILE A 10 2.682 5.804 -2.535 1.00 0.00 C ATOM 151 C ILE A 10 2.972 6.555 -3.838 1.00 0.00 C ATOM 152 O ILE A 10 2.551 7.682 -4.019 1.00 0.00 O ATOM 153 CB ILE A 10 1.201 5.405 -2.491 1.00 0.00 C ATOM 154 CG1 ILE A 10 0.845 4.780 -1.126 1.00 0.00 C ATOM 155 CG2 ILE A 10 0.914 4.396 -3.601 1.00 0.00 C ATOM 156 CD1 ILE A 10 1.798 3.625 -0.785 1.00 0.00 C ATOM 0 H ILE A 10 2.200 6.888 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 10 3.303 4.909 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 10 0.594 6.299 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.898 5.542 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.182 4.415 -1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.138 4.112 -3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.141 4.845 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.534 3.511 -3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.526 3.202 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.725 2.854 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.821 3.998 -0.742 1.00 0.00 H new ATOM 168 N LEU A 11 3.686 5.935 -4.748 1.00 0.00 N ATOM 169 CA LEU A 11 4.001 6.612 -6.043 1.00 0.00 C ATOM 170 C LEU A 11 3.346 5.847 -7.198 1.00 0.00 C ATOM 171 O LEU A 11 3.818 5.882 -8.319 1.00 0.00 O ATOM 172 CB LEU A 11 5.522 6.648 -6.265 1.00 0.00 C ATOM 173 CG LEU A 11 6.121 7.972 -5.762 1.00 0.00 C ATOM 174 CD1 LEU A 11 5.458 9.164 -6.461 1.00 0.00 C ATOM 175 CD2 LEU A 11 5.912 8.084 -4.253 1.00 0.00 C ATOM 0 H LEU A 11 4.062 4.992 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 11 3.616 7.631 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.989 5.812 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.741 6.525 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 11 7.187 7.983 -5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.895 10.092 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.618 9.090 -7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.388 9.159 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.336 9.022 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.845 8.060 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.405 7.250 -3.754 1.00 0.00 H new ATOM 187 N ARG A 12 2.264 5.158 -6.934 1.00 0.00 N ATOM 188 CA ARG A 12 1.577 4.391 -8.013 1.00 0.00 C ATOM 189 C ARG A 12 0.612 5.317 -8.755 1.00 0.00 C ATOM 190 O ARG A 12 -0.301 5.867 -8.173 1.00 0.00 O ATOM 191 CB ARG A 12 0.797 3.232 -7.394 1.00 0.00 C ATOM 192 CG ARG A 12 0.702 2.082 -8.398 1.00 0.00 C ATOM 193 CD ARG A 12 -0.344 2.419 -9.462 1.00 0.00 C ATOM 194 NE ARG A 12 -0.534 1.246 -10.361 1.00 0.00 N ATOM 195 CZ ARG A 12 -1.619 0.527 -10.274 1.00 0.00 C ATOM 196 NH1 ARG A 12 -1.913 -0.079 -9.157 1.00 0.00 N ATOM 197 NH2 ARG A 12 -2.411 0.414 -11.306 1.00 0.00 N ATOM 0 H ARG A 12 1.827 5.095 -6.014 1.00 0.00 H new ATOM 0 HA ARG A 12 2.316 3.999 -8.712 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.291 2.893 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.202 3.563 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.672 1.913 -8.867 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.431 1.159 -7.885 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.289 2.684 -8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.024 3.286 -10.040 1.00 0.00 H new ATOM 0 HE ARG A 12 0.184 1.005 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.294 0.009 -8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.762 -0.641 -9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.181 0.888 -12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.259 -0.148 -11.239 1.00 0.00 H new ATOM 211 N LYS A 13 0.811 5.496 -10.039 1.00 0.00 N ATOM 212 CA LYS A 13 -0.089 6.393 -10.832 1.00 0.00 C ATOM 213 C LYS A 13 -1.550 5.959 -10.667 1.00 0.00 C ATOM 214 O LYS A 13 -2.322 6.605 -9.983 1.00 0.00 O ATOM 215 CB LYS A 13 0.297 6.320 -12.312 1.00 0.00 C ATOM 216 CG LYS A 13 1.613 7.074 -12.544 1.00 0.00 C ATOM 217 CD LYS A 13 2.762 6.074 -12.713 1.00 0.00 C ATOM 218 CE LYS A 13 3.011 5.826 -14.202 1.00 0.00 C ATOM 219 NZ LYS A 13 3.792 6.960 -14.771 1.00 0.00 N ATOM 0 H LYS A 13 1.561 5.058 -10.574 1.00 0.00 H new ATOM 0 HA LYS A 13 0.021 7.415 -10.470 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.405 5.279 -12.618 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.494 6.753 -12.925 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.532 7.702 -13.432 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.816 7.737 -11.703 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.666 6.460 -12.242 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.518 5.136 -12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.554 4.891 -14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.062 5.724 -14.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.623 7.019 -15.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.494 7.848 -14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.805 6.806 -14.596 1.00 0.00 H new ATOM 233 N GLU A 14 -1.931 4.872 -11.288 1.00 0.00 N ATOM 234 CA GLU A 14 -3.340 4.392 -11.170 1.00 0.00 C ATOM 235 C GLU A 14 -3.536 3.723 -9.808 1.00 0.00 C ATOM 236 O GLU A 14 -3.411 2.519 -9.677 1.00 0.00 O ATOM 237 CB GLU A 14 -3.629 3.382 -12.282 1.00 0.00 C ATOM 238 CG GLU A 14 -4.156 4.117 -13.516 1.00 0.00 C ATOM 239 CD GLU A 14 -4.123 3.179 -14.723 1.00 0.00 C ATOM 240 OE1 GLU A 14 -4.944 2.278 -14.772 1.00 0.00 O ATOM 241 OE2 GLU A 14 -3.276 3.377 -15.579 1.00 0.00 O ATOM 0 H GLU A 14 -1.326 4.296 -11.873 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.022 5.237 -11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.722 2.832 -12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.361 2.650 -11.941 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.174 4.463 -13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.549 5.001 -13.712 1.00 0.00 H new ATOM 248 N SER A 15 -3.843 4.494 -8.795 1.00 0.00 N ATOM 249 CA SER A 15 -4.048 3.908 -7.438 1.00 0.00 C ATOM 250 C SER A 15 -5.019 4.782 -6.641 1.00 0.00 C ATOM 251 O SER A 15 -4.972 5.996 -6.700 1.00 0.00 O ATOM 252 CB SER A 15 -2.706 3.835 -6.708 1.00 0.00 C ATOM 253 OG SER A 15 -2.934 3.569 -5.331 1.00 0.00 O ATOM 0 H SER A 15 -3.960 5.506 -8.851 1.00 0.00 H new ATOM 0 HA SER A 15 -4.464 2.905 -7.535 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.084 3.053 -7.143 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.164 4.774 -6.824 1.00 0.00 H new ATOM 0 HG SER A 15 -2.076 3.520 -4.861 1.00 0.00 H new ATOM 259 N TYR A 16 -5.900 4.164 -5.898 1.00 0.00 N ATOM 260 CA TYR A 16 -6.890 4.935 -5.088 1.00 0.00 C ATOM 261 C TYR A 16 -6.170 5.770 -4.016 1.00 0.00 C ATOM 262 O TYR A 16 -6.755 6.666 -3.435 1.00 0.00 O ATOM 263 CB TYR A 16 -7.857 3.948 -4.416 1.00 0.00 C ATOM 264 CG TYR A 16 -8.904 4.693 -3.613 1.00 0.00 C ATOM 265 CD1 TYR A 16 -9.617 5.752 -4.190 1.00 0.00 C ATOM 266 CD2 TYR A 16 -9.160 4.318 -2.289 1.00 0.00 C ATOM 267 CE1 TYR A 16 -10.584 6.434 -3.441 1.00 0.00 C ATOM 268 CE2 TYR A 16 -10.126 5.000 -1.540 1.00 0.00 C ATOM 269 CZ TYR A 16 -10.838 6.059 -2.116 1.00 0.00 C ATOM 270 OH TYR A 16 -11.791 6.731 -1.379 1.00 0.00 O ATOM 0 H TYR A 16 -5.977 3.150 -5.817 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.442 5.612 -5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.342 3.332 -5.174 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.302 3.273 -3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.421 6.042 -5.212 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.611 3.501 -1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.134 7.250 -3.886 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.322 4.709 -0.518 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.843 6.344 -0.480 1.00 0.00 H new ATOM 280 N TRP A 17 -4.917 5.486 -3.739 1.00 0.00 N ATOM 281 CA TRP A 17 -4.189 6.268 -2.695 1.00 0.00 C ATOM 282 C TRP A 17 -2.897 6.853 -3.275 1.00 0.00 C ATOM 283 O TRP A 17 -1.911 7.015 -2.580 1.00 0.00 O ATOM 284 CB TRP A 17 -3.865 5.347 -1.513 1.00 0.00 C ATOM 285 CG TRP A 17 -5.139 4.794 -0.943 1.00 0.00 C ATOM 286 CD1 TRP A 17 -6.283 5.499 -0.754 1.00 0.00 C ATOM 287 CD2 TRP A 17 -5.419 3.439 -0.484 1.00 0.00 C ATOM 288 NE1 TRP A 17 -7.243 4.661 -0.220 1.00 0.00 N ATOM 289 CE2 TRP A 17 -6.760 3.383 -0.032 1.00 0.00 C ATOM 290 CE3 TRP A 17 -4.650 2.263 -0.418 1.00 0.00 C ATOM 291 CZ2 TRP A 17 -7.316 2.205 0.467 1.00 0.00 C ATOM 292 CZ3 TRP A 17 -5.207 1.075 0.085 1.00 0.00 C ATOM 293 CH2 TRP A 17 -6.538 1.048 0.527 1.00 0.00 C ATOM 0 H TRP A 17 -4.373 4.750 -4.190 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.818 7.091 -2.355 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.217 4.533 -1.840 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.321 5.899 -0.747 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -6.421 6.545 -0.984 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -8.194 4.952 0.008 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.624 2.273 -0.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.342 2.188 0.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.607 0.178 0.132 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -6.960 0.132 0.914 1.00 0.00 H new ATOM 304 N TYR A 18 -2.902 7.183 -4.542 1.00 0.00 N ATOM 305 CA TYR A 18 -1.687 7.774 -5.179 1.00 0.00 C ATOM 306 C TYR A 18 -1.464 9.186 -4.621 1.00 0.00 C ATOM 307 O TYR A 18 -2.382 9.980 -4.536 1.00 0.00 O ATOM 308 CB TYR A 18 -1.903 7.836 -6.702 1.00 0.00 C ATOM 309 CG TYR A 18 -0.738 8.526 -7.392 1.00 0.00 C ATOM 310 CD1 TYR A 18 0.585 8.199 -7.060 1.00 0.00 C ATOM 311 CD2 TYR A 18 -0.991 9.495 -8.372 1.00 0.00 C ATOM 312 CE1 TYR A 18 1.648 8.842 -7.706 1.00 0.00 C ATOM 313 CE2 TYR A 18 0.073 10.136 -9.017 1.00 0.00 C ATOM 314 CZ TYR A 18 1.392 9.810 -8.684 1.00 0.00 C ATOM 315 OH TYR A 18 2.440 10.442 -9.320 1.00 0.00 O ATOM 0 H TYR A 18 -3.701 7.067 -5.166 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.811 7.162 -4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.018 6.827 -7.098 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.827 8.371 -6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.784 7.451 -6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.009 9.748 -8.630 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.667 8.591 -7.449 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.124 10.883 -9.772 1.00 0.00 H new ATOM 0 HH TYR A 18 2.088 11.084 -9.971 1.00 0.00 H new ATOM 325 N GLY A 19 -0.249 9.502 -4.249 1.00 0.00 N ATOM 326 CA GLY A 19 0.044 10.862 -3.705 1.00 0.00 C ATOM 327 C GLY A 19 -0.145 10.887 -2.181 1.00 0.00 C ATOM 328 O GLY A 19 0.259 11.829 -1.524 1.00 0.00 O ATOM 0 H GLY A 19 0.554 8.875 -4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.066 11.147 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.614 11.595 -4.171 1.00 0.00 H new ATOM 332 N ASP A 20 -0.754 9.873 -1.612 1.00 0.00 N ATOM 333 CA ASP A 20 -0.962 9.859 -0.133 1.00 0.00 C ATOM 334 C ASP A 20 0.171 9.080 0.537 1.00 0.00 C ATOM 335 O ASP A 20 1.144 8.719 -0.097 1.00 0.00 O ATOM 336 CB ASP A 20 -2.302 9.191 0.186 1.00 0.00 C ATOM 337 CG ASP A 20 -2.947 9.882 1.389 1.00 0.00 C ATOM 338 OD1 ASP A 20 -3.042 11.098 1.367 1.00 0.00 O ATOM 339 OD2 ASP A 20 -3.336 9.184 2.311 1.00 0.00 O ATOM 0 H ASP A 20 -1.114 9.058 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.967 10.882 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.964 9.250 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.151 8.133 0.400 1.00 0.00 H new ATOM 344 N VAL A 21 0.048 8.817 1.813 1.00 0.00 N ATOM 345 CA VAL A 21 1.110 8.056 2.535 1.00 0.00 C ATOM 346 C VAL A 21 0.455 6.950 3.366 1.00 0.00 C ATOM 347 O VAL A 21 -0.480 7.190 4.107 1.00 0.00 O ATOM 348 CB VAL A 21 1.888 9.005 3.454 1.00 0.00 C ATOM 349 CG1 VAL A 21 3.024 8.243 4.142 1.00 0.00 C ATOM 350 CG2 VAL A 21 2.478 10.145 2.622 1.00 0.00 C ATOM 0 H VAL A 21 -0.746 9.098 2.388 1.00 0.00 H new ATOM 0 HA VAL A 21 1.799 7.613 1.816 1.00 0.00 H new ATOM 0 HB VAL A 21 1.213 9.409 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.574 8.921 4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.609 7.427 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.699 7.837 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.032 10.822 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.150 9.735 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.673 10.692 2.131 1.00 0.00 H new ATOM 360 N GLY A 22 0.937 5.741 3.239 1.00 0.00 N ATOM 361 CA GLY A 22 0.347 4.608 4.009 1.00 0.00 C ATOM 362 C GLY A 22 1.353 4.104 5.047 1.00 0.00 C ATOM 363 O GLY A 22 2.547 4.301 4.913 1.00 0.00 O ATOM 0 H GLY A 22 1.717 5.490 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.569 4.931 4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.074 3.799 3.331 1.00 0.00 H new ATOM 367 N THR A 23 0.876 3.454 6.080 1.00 0.00 N ATOM 368 CA THR A 23 1.796 2.930 7.133 1.00 0.00 C ATOM 369 C THR A 23 2.250 1.519 6.753 1.00 0.00 C ATOM 370 O THR A 23 1.471 0.587 6.746 1.00 0.00 O ATOM 371 CB THR A 23 1.068 2.892 8.481 1.00 0.00 C ATOM 372 OG1 THR A 23 0.556 4.184 8.776 1.00 0.00 O ATOM 373 CG2 THR A 23 2.048 2.467 9.576 1.00 0.00 C ATOM 0 H THR A 23 -0.114 3.264 6.238 1.00 0.00 H new ATOM 0 HA THR A 23 2.666 3.582 7.214 1.00 0.00 H new ATOM 0 HB THR A 23 0.246 2.178 8.433 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.088 4.162 9.637 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.532 2.439 10.536 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.442 1.477 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.870 3.182 9.626 1.00 0.00 H new ATOM 381 N VAL A 24 3.511 1.357 6.437 1.00 0.00 N ATOM 382 CA VAL A 24 4.040 0.009 6.042 1.00 0.00 C ATOM 383 C VAL A 24 3.630 -1.056 7.071 1.00 0.00 C ATOM 384 O VAL A 24 3.793 -0.876 8.263 1.00 0.00 O ATOM 385 CB VAL A 24 5.567 0.074 5.957 1.00 0.00 C ATOM 386 CG1 VAL A 24 6.113 -1.252 5.422 1.00 0.00 C ATOM 387 CG2 VAL A 24 5.975 1.208 5.014 1.00 0.00 C ATOM 0 H VAL A 24 4.204 2.105 6.435 1.00 0.00 H new ATOM 0 HA VAL A 24 3.622 -0.264 5.073 1.00 0.00 H new ATOM 0 HB VAL A 24 5.976 0.257 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.200 -1.201 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.824 -2.062 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.705 -1.439 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.062 1.256 4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.563 1.023 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.591 2.154 5.395 1.00 0.00 H new ATOM 397 N ALA A 25 3.096 -2.159 6.609 1.00 0.00 N ATOM 398 CA ALA A 25 2.669 -3.240 7.545 1.00 0.00 C ATOM 399 C ALA A 25 3.709 -4.362 7.539 1.00 0.00 C ATOM 400 O ALA A 25 4.139 -4.825 8.578 1.00 0.00 O ATOM 401 CB ALA A 25 1.316 -3.796 7.097 1.00 0.00 C ATOM 0 H ALA A 25 2.938 -2.356 5.621 1.00 0.00 H new ATOM 0 HA ALA A 25 2.580 -2.834 8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.003 -4.586 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.575 -2.997 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.405 -4.202 6.089 1.00 0.00 H new ATOM 407 N SER A 26 4.112 -4.802 6.373 1.00 0.00 N ATOM 408 CA SER A 26 5.123 -5.896 6.291 1.00 0.00 C ATOM 409 C SER A 26 5.519 -6.121 4.829 1.00 0.00 C ATOM 410 O SER A 26 4.773 -5.806 3.920 1.00 0.00 O ATOM 411 CB SER A 26 4.526 -7.184 6.860 1.00 0.00 C ATOM 412 OG SER A 26 5.546 -7.923 7.520 1.00 0.00 O ATOM 0 H SER A 26 3.783 -4.449 5.474 1.00 0.00 H new ATOM 0 HA SER A 26 6.006 -5.617 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.722 -6.949 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.089 -7.781 6.059 1.00 0.00 H new ATOM 0 HG SER A 26 5.166 -8.748 7.887 1.00 0.00 H new ATOM 418 N ILE A 27 6.687 -6.666 4.601 1.00 0.00 N ATOM 419 CA ILE A 27 7.141 -6.919 3.203 1.00 0.00 C ATOM 420 C ILE A 27 6.936 -8.411 2.892 1.00 0.00 C ATOM 421 O ILE A 27 6.794 -9.224 3.786 1.00 0.00 O ATOM 422 CB ILE A 27 8.631 -6.519 3.066 1.00 0.00 C ATOM 423 CG1 ILE A 27 8.743 -4.991 2.996 1.00 0.00 C ATOM 424 CG2 ILE A 27 9.248 -7.105 1.785 1.00 0.00 C ATOM 425 CD1 ILE A 27 8.268 -4.371 4.309 1.00 0.00 C ATOM 0 H ILE A 27 7.347 -6.947 5.326 1.00 0.00 H new ATOM 0 HA ILE A 27 6.566 -6.324 2.494 1.00 0.00 H new ATOM 0 HB ILE A 27 9.165 -6.910 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.776 -4.703 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.144 -4.612 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.294 -6.807 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.181 -8.193 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.706 -6.731 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.351 -3.286 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.228 -4.646 4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.885 -4.738 5.129 1.00 0.00 H new ATOM 437 N ASP A 28 6.920 -8.767 1.633 1.00 0.00 N ATOM 438 CA ASP A 28 6.724 -10.198 1.257 1.00 0.00 C ATOM 439 C ASP A 28 7.970 -10.711 0.532 1.00 0.00 C ATOM 440 O ASP A 28 8.343 -10.206 -0.511 1.00 0.00 O ATOM 441 CB ASP A 28 5.510 -10.322 0.335 1.00 0.00 C ATOM 442 CG ASP A 28 4.915 -11.726 0.459 1.00 0.00 C ATOM 443 OD1 ASP A 28 4.766 -12.188 1.579 1.00 0.00 O ATOM 444 OD2 ASP A 28 4.620 -12.316 -0.567 1.00 0.00 O ATOM 0 H ASP A 28 7.035 -8.126 0.848 1.00 0.00 H new ATOM 0 HA ASP A 28 6.558 -10.790 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.762 -9.574 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.803 -10.130 -0.697 1.00 0.00 H new ATOM 449 N LYS A 29 8.613 -11.711 1.077 1.00 0.00 N ATOM 450 CA LYS A 29 9.835 -12.267 0.427 1.00 0.00 C ATOM 451 C LYS A 29 9.432 -13.395 -0.529 1.00 0.00 C ATOM 452 O LYS A 29 9.953 -14.495 -0.466 1.00 0.00 O ATOM 453 CB LYS A 29 10.781 -12.809 1.503 1.00 0.00 C ATOM 454 CG LYS A 29 12.231 -12.591 1.066 1.00 0.00 C ATOM 455 CD LYS A 29 12.669 -11.173 1.438 1.00 0.00 C ATOM 456 CE LYS A 29 14.155 -11.176 1.801 1.00 0.00 C ATOM 457 NZ LYS A 29 14.314 -11.526 3.241 1.00 0.00 N ATOM 0 H LYS A 29 8.342 -12.168 1.948 1.00 0.00 H new ATOM 0 HA LYS A 29 10.343 -11.483 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.596 -12.305 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.595 -13.871 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.881 -13.322 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.324 -12.741 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.489 -10.495 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.079 -10.808 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.691 -11.894 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.591 -10.196 1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.324 -11.528 3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.816 -10.825 3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.913 -12.470 3.415 1.00 0.00 H new ATOM 471 N SER A 30 8.505 -13.128 -1.414 1.00 0.00 N ATOM 472 CA SER A 30 8.057 -14.175 -2.378 1.00 0.00 C ATOM 473 C SER A 30 8.725 -13.941 -3.734 1.00 0.00 C ATOM 474 O SER A 30 9.304 -14.841 -4.313 1.00 0.00 O ATOM 475 CB SER A 30 6.538 -14.104 -2.539 1.00 0.00 C ATOM 476 OG SER A 30 6.100 -15.196 -3.336 1.00 0.00 O ATOM 0 H SER A 30 8.038 -12.226 -1.510 1.00 0.00 H new ATOM 0 HA SER A 30 8.337 -15.159 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.055 -14.135 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.254 -13.161 -3.006 1.00 0.00 H new ATOM 0 HG SER A 30 5.126 -15.155 -3.440 1.00 0.00 H new ATOM 482 N GLY A 31 8.649 -12.737 -4.243 1.00 0.00 N ATOM 483 CA GLY A 31 9.278 -12.435 -5.563 1.00 0.00 C ATOM 484 C GLY A 31 8.277 -11.733 -6.494 1.00 0.00 C ATOM 485 O GLY A 31 8.618 -11.366 -7.603 1.00 0.00 O ATOM 0 H GLY A 31 8.177 -11.949 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.153 -11.802 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.626 -13.359 -6.025 1.00 0.00 H new ATOM 489 N ILE A 32 7.048 -11.542 -6.064 1.00 0.00 N ATOM 490 CA ILE A 32 6.043 -10.865 -6.938 1.00 0.00 C ATOM 491 C ILE A 32 6.519 -9.447 -7.267 1.00 0.00 C ATOM 492 O ILE A 32 7.630 -9.067 -6.946 1.00 0.00 O ATOM 493 CB ILE A 32 4.695 -10.799 -6.215 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.872 -10.118 -4.856 1.00 0.00 C ATOM 495 CG2 ILE A 32 4.158 -12.216 -6.006 1.00 0.00 C ATOM 496 CD1 ILE A 32 3.498 -9.824 -4.251 1.00 0.00 C ATOM 0 H ILE A 32 6.703 -11.826 -5.147 1.00 0.00 H new ATOM 0 HA ILE A 32 5.930 -11.431 -7.863 1.00 0.00 H new ATOM 0 HB ILE A 32 3.991 -10.226 -6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.446 -10.760 -4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.436 -9.192 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.198 -12.169 -5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.028 -12.702 -6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.865 -12.788 -5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.623 -9.339 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.940 -9.166 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.950 -10.757 -4.121 1.00 0.00 H new ATOM 508 N ILE A 33 5.688 -8.666 -7.911 1.00 0.00 N ATOM 509 CA ILE A 33 6.088 -7.273 -8.271 1.00 0.00 C ATOM 510 C ILE A 33 5.700 -6.308 -7.139 1.00 0.00 C ATOM 511 O ILE A 33 6.304 -5.265 -6.972 1.00 0.00 O ATOM 512 CB ILE A 33 5.394 -6.870 -9.581 1.00 0.00 C ATOM 513 CG1 ILE A 33 5.860 -5.471 -9.997 1.00 0.00 C ATOM 514 CG2 ILE A 33 3.873 -6.872 -9.396 1.00 0.00 C ATOM 515 CD1 ILE A 33 5.290 -5.128 -11.375 1.00 0.00 C ATOM 0 H ILE A 33 4.748 -8.935 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 33 7.168 -7.225 -8.410 1.00 0.00 H new ATOM 0 HB ILE A 33 5.656 -7.589 -10.358 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.532 -4.735 -9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.949 -5.432 -10.023 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.392 -6.585 -10.331 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.543 -7.871 -9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.601 -6.162 -8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.623 -4.132 -11.669 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.640 -5.858 -12.105 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.201 -5.149 -11.334 1.00 0.00 H new ATOM 527 N TYR A 34 4.700 -6.651 -6.362 1.00 0.00 N ATOM 528 CA TYR A 34 4.274 -5.758 -5.242 1.00 0.00 C ATOM 529 C TYR A 34 4.185 -6.579 -3.936 1.00 0.00 C ATOM 530 O TYR A 34 3.100 -6.860 -3.465 1.00 0.00 O ATOM 531 CB TYR A 34 2.900 -5.153 -5.568 1.00 0.00 C ATOM 532 CG TYR A 34 2.938 -4.396 -6.885 1.00 0.00 C ATOM 533 CD1 TYR A 34 4.048 -3.609 -7.233 1.00 0.00 C ATOM 534 CD2 TYR A 34 1.846 -4.478 -7.757 1.00 0.00 C ATOM 535 CE1 TYR A 34 4.061 -2.911 -8.446 1.00 0.00 C ATOM 536 CE2 TYR A 34 1.860 -3.778 -8.970 1.00 0.00 C ATOM 537 CZ TYR A 34 2.967 -2.995 -9.314 1.00 0.00 C ATOM 538 OH TYR A 34 2.981 -2.306 -10.510 1.00 0.00 O ATOM 0 H TYR A 34 4.161 -7.512 -6.457 1.00 0.00 H new ATOM 0 HA TYR A 34 5.001 -4.956 -5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.153 -5.945 -5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.595 -4.480 -4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.893 -3.542 -6.564 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.991 -5.083 -7.494 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.916 -2.307 -8.712 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.016 -3.843 -9.640 1.00 0.00 H new ATOM 0 HH TYR A 34 2.145 -2.474 -10.994 1.00 0.00 H new ATOM 548 N PRO A 35 5.328 -6.959 -3.385 1.00 0.00 N ATOM 549 CA PRO A 35 5.371 -7.760 -2.146 1.00 0.00 C ATOM 550 C PRO A 35 5.204 -6.886 -0.892 1.00 0.00 C ATOM 551 O PRO A 35 4.955 -7.395 0.186 1.00 0.00 O ATOM 552 CB PRO A 35 6.770 -8.380 -2.169 1.00 0.00 C ATOM 553 CG PRO A 35 7.640 -7.473 -3.073 1.00 0.00 C ATOM 554 CD PRO A 35 6.671 -6.644 -3.935 1.00 0.00 C ATOM 0 HA PRO A 35 4.565 -8.493 -2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.185 -8.437 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.737 -9.398 -2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.275 -6.823 -2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.300 -8.072 -3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 35 6.889 -5.578 -3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.743 -6.916 -4.988 1.00 0.00 H new ATOM 562 N VAL A 36 5.355 -5.588 -1.009 1.00 0.00 N ATOM 563 CA VAL A 36 5.221 -4.708 0.195 1.00 0.00 C ATOM 564 C VAL A 36 3.768 -4.270 0.370 1.00 0.00 C ATOM 565 O VAL A 36 3.256 -3.490 -0.404 1.00 0.00 O ATOM 566 CB VAL A 36 6.090 -3.464 0.026 1.00 0.00 C ATOM 567 CG1 VAL A 36 6.117 -2.689 1.344 1.00 0.00 C ATOM 568 CG2 VAL A 36 7.516 -3.874 -0.354 1.00 0.00 C ATOM 0 H VAL A 36 5.564 -5.102 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 36 5.541 -5.271 1.072 1.00 0.00 H new ATOM 0 HB VAL A 36 5.676 -2.837 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.736 -1.799 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.103 -2.394 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.531 -3.321 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.131 -2.982 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.936 -4.502 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.497 -4.430 -1.291 1.00 0.00 H new ATOM 578 N ILE A 37 3.106 -4.746 1.394 1.00 0.00 N ATOM 579 CA ILE A 37 1.689 -4.333 1.613 1.00 0.00 C ATOM 580 C ILE A 37 1.671 -3.092 2.525 1.00 0.00 C ATOM 581 O ILE A 37 2.114 -3.132 3.659 1.00 0.00 O ATOM 582 CB ILE A 37 0.879 -5.533 2.192 1.00 0.00 C ATOM 583 CG1 ILE A 37 -0.480 -5.604 1.490 1.00 0.00 C ATOM 584 CG2 ILE A 37 0.644 -5.423 3.708 1.00 0.00 C ATOM 585 CD1 ILE A 37 -0.317 -6.287 0.131 1.00 0.00 C ATOM 0 H ILE A 37 3.483 -5.398 2.082 1.00 0.00 H new ATOM 0 HA ILE A 37 1.208 -4.057 0.675 1.00 0.00 H new ATOM 0 HB ILE A 37 1.469 -6.433 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.190 -6.158 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.886 -4.601 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.075 -6.287 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.604 -5.392 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.086 -4.512 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.284 -6.338 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.379 -5.715 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.070 -7.296 0.275 1.00 0.00 H new ATOM 597 N VAL A 38 1.174 -1.991 2.024 1.00 0.00 N ATOM 598 CA VAL A 38 1.132 -0.745 2.839 1.00 0.00 C ATOM 599 C VAL A 38 -0.230 -0.634 3.533 1.00 0.00 C ATOM 600 O VAL A 38 -1.182 -1.295 3.166 1.00 0.00 O ATOM 601 CB VAL A 38 1.357 0.463 1.924 1.00 0.00 C ATOM 602 CG1 VAL A 38 1.413 1.743 2.760 1.00 0.00 C ATOM 603 CG2 VAL A 38 2.679 0.291 1.174 1.00 0.00 C ATOM 0 H VAL A 38 0.794 -1.903 1.081 1.00 0.00 H new ATOM 0 HA VAL A 38 1.914 -0.772 3.597 1.00 0.00 H new ATOM 0 HB VAL A 38 0.535 0.533 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.573 2.599 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.473 1.868 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.233 1.675 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.842 1.149 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.497 0.219 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.641 -0.618 0.574 1.00 0.00 H new ATOM 613 N ARG A 39 -0.317 0.197 4.537 1.00 0.00 N ATOM 614 CA ARG A 39 -1.599 0.371 5.278 1.00 0.00 C ATOM 615 C ARG A 39 -2.235 1.705 4.879 1.00 0.00 C ATOM 616 O ARG A 39 -1.551 2.638 4.501 1.00 0.00 O ATOM 617 CB ARG A 39 -1.303 0.368 6.782 1.00 0.00 C ATOM 618 CG ARG A 39 -2.600 0.514 7.578 1.00 0.00 C ATOM 619 CD ARG A 39 -2.326 0.204 9.050 1.00 0.00 C ATOM 620 NE ARG A 39 -3.555 -0.358 9.678 1.00 0.00 N ATOM 621 CZ ARG A 39 -3.457 -1.302 10.573 1.00 0.00 C ATOM 622 NH1 ARG A 39 -2.747 -2.368 10.322 1.00 0.00 N ATOM 623 NH2 ARG A 39 -4.068 -1.180 11.720 1.00 0.00 N ATOM 0 H ARG A 39 0.455 0.769 4.879 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.286 -0.440 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.801 -0.559 7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.624 1.184 7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.992 1.526 7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.359 -0.164 7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.504 -0.506 9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.020 1.110 9.572 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.473 -0.005 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.269 -2.463 9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.670 -3.106 11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.622 -0.347 11.917 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.991 -1.918 12.420 1.00 0.00 H new ATOM 637 N PHE A 40 -3.537 1.799 4.964 1.00 0.00 N ATOM 638 CA PHE A 40 -4.226 3.070 4.593 1.00 0.00 C ATOM 639 C PHE A 40 -5.488 3.235 5.440 1.00 0.00 C ATOM 640 O PHE A 40 -6.349 2.376 5.456 1.00 0.00 O ATOM 641 CB PHE A 40 -4.621 3.028 3.116 1.00 0.00 C ATOM 642 CG PHE A 40 -3.390 2.858 2.260 1.00 0.00 C ATOM 643 CD1 PHE A 40 -2.921 1.575 1.956 1.00 0.00 C ATOM 644 CD2 PHE A 40 -2.720 3.983 1.766 1.00 0.00 C ATOM 645 CE1 PHE A 40 -1.783 1.417 1.157 1.00 0.00 C ATOM 646 CE2 PHE A 40 -1.582 3.825 0.966 1.00 0.00 C ATOM 647 CZ PHE A 40 -1.114 2.542 0.662 1.00 0.00 C ATOM 0 H PHE A 40 -4.154 1.048 5.275 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.551 3.907 4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.314 2.205 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.140 3.947 2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.437 0.707 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.081 4.973 2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.421 0.427 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.066 4.693 0.584 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.236 2.420 0.045 1.00 0.00 H new ATOM 657 N ASN A 41 -5.611 4.340 6.132 1.00 0.00 N ATOM 658 CA ASN A 41 -6.826 4.574 6.968 1.00 0.00 C ATOM 659 C ASN A 41 -8.063 4.609 6.062 1.00 0.00 C ATOM 660 O ASN A 41 -9.163 4.313 6.487 1.00 0.00 O ATOM 661 CB ASN A 41 -6.693 5.911 7.701 1.00 0.00 C ATOM 662 CG ASN A 41 -5.905 5.708 8.996 1.00 0.00 C ATOM 663 OD1 ASN A 41 -6.114 4.741 9.702 1.00 0.00 O ATOM 664 ND2 ASN A 41 -5.002 6.584 9.341 1.00 0.00 N ATOM 0 H ASN A 41 -4.921 5.091 6.153 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.928 3.771 7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.187 6.637 7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.680 6.315 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.472 6.457 10.203 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.826 7.396 8.749 1.00 0.00 H new ATOM 671 N LYS A 42 -7.883 4.965 4.813 1.00 0.00 N ATOM 672 CA LYS A 42 -9.032 5.020 3.862 1.00 0.00 C ATOM 673 C LYS A 42 -9.661 3.629 3.735 1.00 0.00 C ATOM 674 O LYS A 42 -9.043 2.629 4.048 1.00 0.00 O ATOM 675 CB LYS A 42 -8.518 5.470 2.491 1.00 0.00 C ATOM 676 CG LYS A 42 -9.647 6.135 1.692 1.00 0.00 C ATOM 677 CD LYS A 42 -10.132 7.398 2.418 1.00 0.00 C ATOM 678 CE LYS A 42 -11.486 7.131 3.084 1.00 0.00 C ATOM 679 NZ LYS A 42 -12.370 8.317 2.903 1.00 0.00 N ATOM 0 H LYS A 42 -6.981 5.221 4.411 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.781 5.722 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.691 6.169 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.130 4.613 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.294 6.393 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.475 5.437 1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.401 7.700 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.221 8.223 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.951 6.247 2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.347 6.926 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.289 8.137 3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.927 9.150 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.512 8.493 1.888 1.00 0.00 H new ATOM 693 N VAL A 43 -10.883 3.564 3.275 1.00 0.00 N ATOM 694 CA VAL A 43 -11.562 2.245 3.119 1.00 0.00 C ATOM 695 C VAL A 43 -12.384 2.254 1.828 1.00 0.00 C ATOM 696 O VAL A 43 -12.666 3.300 1.273 1.00 0.00 O ATOM 697 CB VAL A 43 -12.487 2.003 4.313 1.00 0.00 C ATOM 698 CG1 VAL A 43 -13.074 0.593 4.228 1.00 0.00 C ATOM 699 CG2 VAL A 43 -11.688 2.144 5.610 1.00 0.00 C ATOM 0 H VAL A 43 -11.442 4.372 3.000 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.817 1.451 3.074 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.296 2.734 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.733 0.421 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.642 0.490 3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.266 -0.139 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -12.345 1.972 6.463 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.880 1.412 5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.269 3.148 5.672 1.00 0.00 H new ATOM 709 N ASN A 44 -12.768 1.099 1.346 1.00 0.00 N ATOM 710 CA ASN A 44 -13.570 1.039 0.088 1.00 0.00 C ATOM 711 C ASN A 44 -14.880 0.292 0.348 1.00 0.00 C ATOM 712 O ASN A 44 -14.900 -0.737 0.997 1.00 0.00 O ATOM 713 CB ASN A 44 -12.770 0.306 -0.992 1.00 0.00 C ATOM 714 CG ASN A 44 -13.453 0.494 -2.348 1.00 0.00 C ATOM 715 OD1 ASN A 44 -14.433 -0.160 -2.644 1.00 0.00 O ATOM 716 ND2 ASN A 44 -12.973 1.368 -3.191 1.00 0.00 N ATOM 0 H ASN A 44 -12.560 0.195 1.770 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.793 2.052 -0.248 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.751 0.691 -1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -12.701 -0.755 -0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.421 1.501 -4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.150 1.917 -2.943 1.00 0.00 H new ATOM 723 N TYR A 45 -15.973 0.805 -0.159 1.00 0.00 N ATOM 724 CA TYR A 45 -17.290 0.135 0.049 1.00 0.00 C ATOM 725 C TYR A 45 -18.252 0.538 -1.072 1.00 0.00 C ATOM 726 O TYR A 45 -19.453 0.573 -0.884 1.00 0.00 O ATOM 727 CB TYR A 45 -17.874 0.563 1.397 1.00 0.00 C ATOM 728 CG TYR A 45 -17.190 -0.196 2.510 1.00 0.00 C ATOM 729 CD1 TYR A 45 -17.166 -1.596 2.493 1.00 0.00 C ATOM 730 CD2 TYR A 45 -16.580 0.501 3.560 1.00 0.00 C ATOM 731 CE1 TYR A 45 -16.533 -2.298 3.525 1.00 0.00 C ATOM 732 CE2 TYR A 45 -15.948 -0.201 4.593 1.00 0.00 C ATOM 733 CZ TYR A 45 -15.924 -1.601 4.575 1.00 0.00 C ATOM 734 OH TYR A 45 -15.301 -2.293 5.593 1.00 0.00 O ATOM 0 H TYR A 45 -16.008 1.663 -0.710 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.151 -0.946 0.039 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.740 1.635 1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.947 0.370 1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -17.636 -2.134 1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.597 1.581 3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -16.514 -3.378 3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -15.479 0.337 5.404 1.00 0.00 H new ATOM 0 HH TYR A 45 -14.929 -1.658 6.240 1.00 0.00 H new ATOM 744 N ASN A 46 -17.731 0.846 -2.234 1.00 0.00 N ATOM 745 CA ASN A 46 -18.608 1.250 -3.371 1.00 0.00 C ATOM 746 C ASN A 46 -18.484 0.230 -4.505 1.00 0.00 C ATOM 747 O ASN A 46 -17.571 0.289 -5.307 1.00 0.00 O ATOM 748 CB ASN A 46 -18.182 2.631 -3.875 1.00 0.00 C ATOM 749 CG ASN A 46 -16.684 2.626 -4.187 1.00 0.00 C ATOM 750 OD1 ASN A 46 -16.288 2.431 -5.318 1.00 0.00 O ATOM 751 ND2 ASN A 46 -15.829 2.835 -3.223 1.00 0.00 N ATOM 0 H ASN A 46 -16.733 0.834 -2.442 1.00 0.00 H new ATOM 0 HA ASN A 46 -19.644 1.288 -3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -18.749 2.894 -4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -18.404 3.388 -3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.828 2.835 -3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -16.162 2.999 -2.273 1.00 0.00 H new ATOM 758 N GLY A 47 -19.397 -0.705 -4.575 1.00 0.00 N ATOM 759 CA GLY A 47 -19.343 -1.736 -5.654 1.00 0.00 C ATOM 760 C GLY A 47 -18.064 -2.562 -5.510 1.00 0.00 C ATOM 761 O GLY A 47 -17.102 -2.361 -6.228 1.00 0.00 O ATOM 0 H GLY A 47 -20.180 -0.799 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.216 -2.386 -5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.369 -1.255 -6.632 1.00 0.00 H new ATOM 765 N PHE A 48 -18.048 -3.490 -4.587 1.00 0.00 N ATOM 766 CA PHE A 48 -16.835 -4.337 -4.389 1.00 0.00 C ATOM 767 C PHE A 48 -17.196 -5.807 -4.612 1.00 0.00 C ATOM 768 O PHE A 48 -16.640 -6.693 -3.991 1.00 0.00 O ATOM 769 CB PHE A 48 -16.307 -4.150 -2.963 1.00 0.00 C ATOM 770 CG PHE A 48 -17.418 -4.409 -1.972 1.00 0.00 C ATOM 771 CD1 PHE A 48 -18.250 -3.360 -1.564 1.00 0.00 C ATOM 772 CD2 PHE A 48 -17.615 -5.698 -1.462 1.00 0.00 C ATOM 773 CE1 PHE A 48 -19.279 -3.599 -0.646 1.00 0.00 C ATOM 774 CE2 PHE A 48 -18.645 -5.937 -0.544 1.00 0.00 C ATOM 775 CZ PHE A 48 -19.477 -4.888 -0.136 1.00 0.00 C ATOM 0 H PHE A 48 -18.826 -3.697 -3.961 1.00 0.00 H new ATOM 0 HA PHE A 48 -16.066 -4.041 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.477 -4.832 -2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.922 -3.138 -2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.098 -2.366 -1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.973 -6.507 -1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.920 -2.789 -0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -18.798 -6.931 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 48 -20.271 -5.073 0.572 1.00 0.00 H new ATOM 785 N SER A 49 -18.127 -6.070 -5.497 1.00 0.00 N ATOM 786 CA SER A 49 -18.537 -7.482 -5.773 1.00 0.00 C ATOM 787 C SER A 49 -19.074 -8.123 -4.491 1.00 0.00 C ATOM 788 O SER A 49 -19.336 -7.448 -3.513 1.00 0.00 O ATOM 789 CB SER A 49 -17.332 -8.280 -6.277 1.00 0.00 C ATOM 790 OG SER A 49 -17.770 -9.244 -7.225 1.00 0.00 O ATOM 0 H SER A 49 -18.622 -5.364 -6.042 1.00 0.00 H new ATOM 0 HA SER A 49 -19.317 -7.486 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 49 -16.603 -7.610 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.834 -8.774 -5.443 1.00 0.00 H new ATOM 0 HG SER A 49 -17.000 -9.756 -7.551 1.00 0.00 H new ATOM 796 N GLY A 50 -19.239 -9.422 -4.491 1.00 0.00 N ATOM 797 CA GLY A 50 -19.759 -10.117 -3.277 1.00 0.00 C ATOM 798 C GLY A 50 -18.622 -10.883 -2.600 1.00 0.00 C ATOM 799 O GLY A 50 -18.681 -12.089 -2.446 1.00 0.00 O ATOM 0 H GLY A 50 -19.035 -10.032 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -20.185 -9.391 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -20.560 -10.803 -3.553 1.00 0.00 H new ATOM 803 N SER A 51 -17.588 -10.190 -2.194 1.00 0.00 N ATOM 804 CA SER A 51 -16.440 -10.869 -1.524 1.00 0.00 C ATOM 805 C SER A 51 -15.722 -9.872 -0.612 1.00 0.00 C ATOM 806 O SER A 51 -14.973 -9.029 -1.068 1.00 0.00 O ATOM 807 CB SER A 51 -15.465 -11.385 -2.583 1.00 0.00 C ATOM 808 OG SER A 51 -14.516 -12.246 -1.967 1.00 0.00 O ATOM 0 H SER A 51 -17.490 -9.180 -2.299 1.00 0.00 H new ATOM 0 HA SER A 51 -16.808 -11.706 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 51 -16.007 -11.920 -3.363 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.957 -10.549 -3.064 1.00 0.00 H new ATOM 0 HG SER A 51 -13.890 -12.580 -2.643 1.00 0.00 H new ATOM 814 N ALA A 52 -15.947 -9.964 0.676 1.00 0.00 N ATOM 815 CA ALA A 52 -15.284 -9.027 1.634 1.00 0.00 C ATOM 816 C ALA A 52 -15.679 -7.585 1.302 1.00 0.00 C ATOM 817 O ALA A 52 -16.497 -7.342 0.434 1.00 0.00 O ATOM 818 CB ALA A 52 -13.763 -9.176 1.532 1.00 0.00 C ATOM 0 H ALA A 52 -16.565 -10.652 1.106 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.604 -9.266 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.283 -8.492 2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.481 -10.200 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.442 -8.942 0.517 1.00 0.00 H new ATOM 824 N GLY A 53 -15.104 -6.630 1.988 1.00 0.00 N ATOM 825 CA GLY A 53 -15.440 -5.201 1.719 1.00 0.00 C ATOM 826 C GLY A 53 -14.279 -4.309 2.163 1.00 0.00 C ATOM 827 O GLY A 53 -13.676 -4.531 3.197 1.00 0.00 O ATOM 0 H GLY A 53 -14.415 -6.780 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.637 -5.057 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.349 -4.924 2.252 1.00 0.00 H new ATOM 831 N GLY A 54 -13.963 -3.303 1.388 1.00 0.00 N ATOM 832 CA GLY A 54 -12.842 -2.389 1.756 1.00 0.00 C ATOM 833 C GLY A 54 -11.518 -3.152 1.692 1.00 0.00 C ATOM 834 O GLY A 54 -11.431 -4.294 2.102 1.00 0.00 O ATOM 0 H GLY A 54 -14.435 -3.075 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.816 -1.537 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.997 -1.992 2.759 1.00 0.00 H new ATOM 838 N LEU A 55 -10.488 -2.527 1.180 1.00 0.00 N ATOM 839 CA LEU A 55 -9.163 -3.209 1.085 1.00 0.00 C ATOM 840 C LEU A 55 -8.373 -2.957 2.367 1.00 0.00 C ATOM 841 O LEU A 55 -8.015 -3.879 3.073 1.00 0.00 O ATOM 842 CB LEU A 55 -8.369 -2.651 -0.104 1.00 0.00 C ATOM 843 CG LEU A 55 -8.888 -3.232 -1.429 1.00 0.00 C ATOM 844 CD1 LEU A 55 -8.758 -4.758 -1.420 1.00 0.00 C ATOM 845 CD2 LEU A 55 -10.356 -2.845 -1.628 1.00 0.00 C ATOM 0 H LEU A 55 -10.508 -1.572 0.823 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.323 -4.278 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.449 -1.564 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.312 -2.891 0.014 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.293 -2.826 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.128 -5.160 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.711 -5.033 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.342 -5.168 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.717 -3.260 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.951 -3.240 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.446 -1.759 -1.652 1.00 0.00 H new ATOM 857 N ASN A 56 -8.089 -1.702 2.655 1.00 0.00 N ATOM 858 CA ASN A 56 -7.305 -1.309 3.883 1.00 0.00 C ATOM 859 C ASN A 56 -5.795 -1.419 3.614 1.00 0.00 C ATOM 860 O ASN A 56 -5.028 -0.577 4.044 1.00 0.00 O ATOM 861 CB ASN A 56 -7.678 -2.169 5.106 1.00 0.00 C ATOM 862 CG ASN A 56 -9.198 -2.340 5.178 1.00 0.00 C ATOM 863 OD1 ASN A 56 -9.939 -1.458 4.792 1.00 0.00 O ATOM 864 ND2 ASN A 56 -9.696 -3.446 5.660 1.00 0.00 N ATOM 0 H ASN A 56 -8.375 -0.913 2.075 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.561 -0.274 4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.196 -3.144 5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.313 -1.698 6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.707 -3.570 5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.074 -4.187 5.984 1.00 0.00 H new ATOM 871 N THR A 57 -5.357 -2.436 2.906 1.00 0.00 N ATOM 872 CA THR A 57 -3.900 -2.578 2.613 1.00 0.00 C ATOM 873 C THR A 57 -3.709 -2.761 1.107 1.00 0.00 C ATOM 874 O THR A 57 -4.351 -3.590 0.488 1.00 0.00 O ATOM 875 CB THR A 57 -3.339 -3.797 3.352 1.00 0.00 C ATOM 876 OG1 THR A 57 -3.930 -4.979 2.828 1.00 0.00 O ATOM 877 CG2 THR A 57 -3.658 -3.683 4.843 1.00 0.00 C ATOM 0 H THR A 57 -5.949 -3.172 2.520 1.00 0.00 H new ATOM 0 HA THR A 57 -3.372 -1.685 2.947 1.00 0.00 H new ATOM 0 HB THR A 57 -2.258 -3.839 3.217 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.297 -4.795 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.259 -4.551 5.368 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.205 -2.776 5.244 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.738 -3.641 4.982 1.00 0.00 H new ATOM 885 N ASN A 58 -2.833 -1.992 0.515 1.00 0.00 N ATOM 886 CA ASN A 58 -2.595 -2.112 -0.954 1.00 0.00 C ATOM 887 C ASN A 58 -1.257 -2.812 -1.197 1.00 0.00 C ATOM 888 O ASN A 58 -0.519 -3.091 -0.273 1.00 0.00 O ATOM 889 CB ASN A 58 -2.563 -0.715 -1.585 1.00 0.00 C ATOM 890 CG ASN A 58 -3.929 -0.396 -2.198 1.00 0.00 C ATOM 891 OD1 ASN A 58 -4.934 -0.949 -1.794 1.00 0.00 O ATOM 892 ND2 ASN A 58 -4.010 0.479 -3.162 1.00 0.00 N ATOM 0 H ASN A 58 -2.271 -1.284 0.987 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.398 -2.694 -1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.309 0.030 -0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.790 -0.669 -2.352 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.916 0.699 -3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.168 0.943 -3.501 1.00 0.00 H new ATOM 899 N ASN A 59 -0.943 -3.093 -2.435 1.00 0.00 N ATOM 900 CA ASN A 59 0.349 -3.769 -2.750 1.00 0.00 C ATOM 901 C ASN A 59 1.251 -2.788 -3.503 1.00 0.00 C ATOM 902 O ASN A 59 0.792 -2.044 -4.348 1.00 0.00 O ATOM 903 CB ASN A 59 0.085 -4.996 -3.626 1.00 0.00 C ATOM 904 CG ASN A 59 -0.714 -6.030 -2.831 1.00 0.00 C ATOM 905 OD1 ASN A 59 -0.205 -7.081 -2.495 1.00 0.00 O ATOM 906 ND2 ASN A 59 -1.954 -5.776 -2.514 1.00 0.00 N ATOM 0 H ASN A 59 -1.528 -2.882 -3.243 1.00 0.00 H new ATOM 0 HA ASN A 59 0.835 -4.085 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.466 -4.705 -4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.029 -5.428 -3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.495 -6.459 -1.985 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.382 -4.894 -2.796 1.00 0.00 H new ATOM 913 N PHE A 60 2.525 -2.783 -3.204 1.00 0.00 N ATOM 914 CA PHE A 60 3.459 -1.851 -3.896 1.00 0.00 C ATOM 915 C PHE A 60 4.875 -2.429 -3.863 1.00 0.00 C ATOM 916 O PHE A 60 5.256 -3.109 -2.926 1.00 0.00 O ATOM 917 CB PHE A 60 3.446 -0.496 -3.184 1.00 0.00 C ATOM 918 CG PHE A 60 2.103 0.160 -3.389 1.00 0.00 C ATOM 919 CD1 PHE A 60 1.687 0.518 -4.677 1.00 0.00 C ATOM 920 CD2 PHE A 60 1.272 0.407 -2.291 1.00 0.00 C ATOM 921 CE1 PHE A 60 0.438 1.122 -4.866 1.00 0.00 C ATOM 922 CE2 PHE A 60 0.023 1.011 -2.479 1.00 0.00 C ATOM 923 CZ PHE A 60 -0.394 1.368 -3.767 1.00 0.00 C ATOM 0 H PHE A 60 2.958 -3.388 -2.507 1.00 0.00 H new ATOM 0 HA PHE A 60 3.143 -1.722 -4.931 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.640 -0.629 -2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.239 0.141 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.329 0.328 -5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.594 0.132 -1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.116 1.398 -5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.618 1.201 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.358 1.833 -3.913 1.00 0.00 H new ATOM 933 N ALA A 61 5.653 -2.164 -4.879 1.00 0.00 N ATOM 934 CA ALA A 61 7.048 -2.689 -4.918 1.00 0.00 C ATOM 935 C ALA A 61 7.952 -1.765 -4.100 1.00 0.00 C ATOM 936 O ALA A 61 7.530 -0.717 -3.646 1.00 0.00 O ATOM 937 CB ALA A 61 7.538 -2.732 -6.367 1.00 0.00 C ATOM 0 H ALA A 61 5.380 -1.604 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 61 7.074 -3.695 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.558 -3.116 -6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.889 -3.384 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.517 -1.727 -6.788 1.00 0.00 H new ATOM 943 N GLU A 62 9.189 -2.144 -3.909 1.00 0.00 N ATOM 944 CA GLU A 62 10.124 -1.290 -3.120 1.00 0.00 C ATOM 945 C GLU A 62 10.326 0.046 -3.841 1.00 0.00 C ATOM 946 O GLU A 62 10.195 1.103 -3.253 1.00 0.00 O ATOM 947 CB GLU A 62 11.471 -2.002 -2.977 1.00 0.00 C ATOM 948 CG GLU A 62 11.251 -3.403 -2.402 1.00 0.00 C ATOM 949 CD GLU A 62 12.530 -3.879 -1.713 1.00 0.00 C ATOM 950 OE1 GLU A 62 13.526 -4.037 -2.400 1.00 0.00 O ATOM 951 OE2 GLU A 62 12.493 -4.077 -0.510 1.00 0.00 O ATOM 0 H GLU A 62 9.592 -3.010 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 62 9.703 -1.110 -2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.963 -2.069 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.129 -1.429 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.425 -3.390 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.975 -4.095 -3.198 1.00 0.00 H new ATOM 958 N HIS A 63 10.645 0.002 -5.110 1.00 0.00 N ATOM 959 CA HIS A 63 10.861 1.264 -5.880 1.00 0.00 C ATOM 960 C HIS A 63 9.531 2.012 -6.061 1.00 0.00 C ATOM 961 O HIS A 63 9.518 3.187 -6.378 1.00 0.00 O ATOM 962 CB HIS A 63 11.452 0.930 -7.253 1.00 0.00 C ATOM 963 CG HIS A 63 10.570 -0.062 -7.959 1.00 0.00 C ATOM 964 ND1 HIS A 63 10.744 -1.432 -7.829 1.00 0.00 N ATOM 965 CD2 HIS A 63 9.505 0.100 -8.810 1.00 0.00 C ATOM 966 CE1 HIS A 63 9.806 -2.033 -8.584 1.00 0.00 C ATOM 967 NE2 HIS A 63 9.025 -1.145 -9.203 1.00 0.00 N ATOM 0 H HIS A 63 10.765 -0.857 -5.647 1.00 0.00 H new ATOM 0 HA HIS A 63 11.552 1.901 -5.328 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.545 1.837 -7.850 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.456 0.521 -7.137 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.101 1.050 -9.126 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.698 -3.104 -8.678 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.244 -1.338 -9.830 1.00 0.00 H new ATOM 975 N GLU A 64 8.416 1.347 -5.865 1.00 0.00 N ATOM 976 CA GLU A 64 7.095 2.028 -6.028 1.00 0.00 C ATOM 977 C GLU A 64 6.775 2.861 -4.780 1.00 0.00 C ATOM 978 O GLU A 64 5.968 3.772 -4.827 1.00 0.00 O ATOM 979 CB GLU A 64 6.003 0.973 -6.225 1.00 0.00 C ATOM 980 CG GLU A 64 6.181 0.292 -7.586 1.00 0.00 C ATOM 981 CD GLU A 64 5.212 0.905 -8.600 1.00 0.00 C ATOM 982 OE1 GLU A 64 4.025 0.651 -8.483 1.00 0.00 O ATOM 983 OE2 GLU A 64 5.675 1.617 -9.476 1.00 0.00 O ATOM 0 H GLU A 64 8.366 0.363 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 64 7.137 2.686 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.052 0.232 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.019 1.439 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.208 0.411 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.998 -0.779 -7.495 1.00 0.00 H new ATOM 990 N LEU A 65 7.396 2.555 -3.665 1.00 0.00 N ATOM 991 CA LEU A 65 7.124 3.327 -2.417 1.00 0.00 C ATOM 992 C LEU A 65 8.246 4.341 -2.188 1.00 0.00 C ATOM 993 O LEU A 65 9.392 4.096 -2.518 1.00 0.00 O ATOM 994 CB LEU A 65 7.059 2.367 -1.227 1.00 0.00 C ATOM 995 CG LEU A 65 6.013 1.284 -1.496 1.00 0.00 C ATOM 996 CD1 LEU A 65 6.388 0.014 -0.730 1.00 0.00 C ATOM 997 CD2 LEU A 65 4.641 1.775 -1.028 1.00 0.00 C ATOM 0 H LEU A 65 8.079 1.803 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 65 6.173 3.851 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.035 1.911 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.805 2.914 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 65 5.978 1.068 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.644 -0.759 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.366 -0.335 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.422 0.230 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.894 1.004 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.676 1.989 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.374 2.681 -1.571 1.00 0.00 H new ATOM 1009 N GLU A 66 7.923 5.475 -1.622 1.00 0.00 N ATOM 1010 CA GLU A 66 8.963 6.513 -1.361 1.00 0.00 C ATOM 1011 C GLU A 66 9.065 6.756 0.146 1.00 0.00 C ATOM 1012 O GLU A 66 8.500 7.696 0.672 1.00 0.00 O ATOM 1013 CB GLU A 66 8.574 7.814 -2.066 1.00 0.00 C ATOM 1014 CG GLU A 66 9.822 8.673 -2.280 1.00 0.00 C ATOM 1015 CD GLU A 66 9.573 9.661 -3.422 1.00 0.00 C ATOM 1016 OE1 GLU A 66 9.380 9.209 -4.538 1.00 0.00 O ATOM 1017 OE2 GLU A 66 9.579 10.852 -3.159 1.00 0.00 O ATOM 0 H GLU A 66 6.979 5.727 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 66 9.926 6.172 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.103 7.594 -3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.843 8.359 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.066 9.213 -1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.677 8.039 -2.514 1.00 0.00 H new ATOM 1024 N VAL A 67 9.783 5.912 0.845 1.00 0.00 N ATOM 1025 CA VAL A 67 9.928 6.079 2.325 1.00 0.00 C ATOM 1026 C VAL A 67 10.523 7.458 2.636 1.00 0.00 C ATOM 1027 O VAL A 67 11.650 7.751 2.282 1.00 0.00 O ATOM 1028 CB VAL A 67 10.852 4.986 2.873 1.00 0.00 C ATOM 1029 CG1 VAL A 67 10.918 5.084 4.400 1.00 0.00 C ATOM 1030 CG2 VAL A 67 10.309 3.607 2.475 1.00 0.00 C ATOM 0 H VAL A 67 10.277 5.111 0.453 1.00 0.00 H new ATOM 0 HA VAL A 67 8.948 5.998 2.795 1.00 0.00 H new ATOM 0 HB VAL A 67 11.851 5.119 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.576 4.305 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.306 6.062 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.919 4.955 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.967 2.830 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.309 3.477 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.265 3.533 1.388 1.00 0.00 H new ATOM 1040 N VAL A 68 9.769 8.302 3.293 1.00 0.00 N ATOM 1041 CA VAL A 68 10.277 9.663 3.631 1.00 0.00 C ATOM 1042 C VAL A 68 10.472 9.776 5.145 1.00 0.00 C ATOM 1043 O VAL A 68 11.332 10.497 5.616 1.00 0.00 O ATOM 1044 CB VAL A 68 9.268 10.715 3.165 1.00 0.00 C ATOM 1045 CG1 VAL A 68 9.183 10.701 1.638 1.00 0.00 C ATOM 1046 CG2 VAL A 68 7.891 10.396 3.753 1.00 0.00 C ATOM 0 H VAL A 68 8.820 8.105 3.610 1.00 0.00 H new ATOM 0 HA VAL A 68 11.231 9.828 3.130 1.00 0.00 H new ATOM 0 HB VAL A 68 9.590 11.700 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.464 11.450 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.163 10.927 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.861 9.716 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.172 11.145 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.571 9.410 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.949 10.405 4.841 1.00 0.00 H new ATOM 1056 N GLY A 69 9.678 9.068 5.909 1.00 0.00 N ATOM 1057 CA GLY A 69 9.809 9.127 7.394 1.00 0.00 C ATOM 1058 C GLY A 69 9.088 10.368 7.923 1.00 0.00 C ATOM 1059 O GLY A 69 9.520 10.894 8.935 1.00 0.00 O ATOM 1060 OXT GLY A 69 8.116 10.772 7.305 1.00 0.00 O ATOM 0 H GLY A 69 8.943 8.450 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.385 8.229 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.862 9.158 7.676 1.00 0.00 H new TER 1064 GLY A 69