USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 424 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 20 THR OG1 : rot -131:sc= 1.28 USER MOD Set 1.2: A 22 THR OG1 : rot 180:sc= 0.652 USER MOD Single : A 9 THR OG1 : rot 32:sc= 0.448 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 130:sc= 0 USER MOD Single : A 18 SER OG : rot 154:sc= 0.234 USER MOD Single : A 25 SER OG : rot 180:sc= -0.195 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.044 X(o=-0.044,f=0) USER MOD Single : A 36 ASN : amide:sc= 0.311 K(o=0.31,f=-3.8!) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.75! C(o=-4.8!,f=-3.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -7.09! C(o=-11!,f=-7.1!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0687 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 110:sc= -1.9! USER MOD Single : A 59 ASN : amide:sc= -0.0243 X(o=-0.024,f=-0.13) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -36:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 15.224 14.987 -2.578 1.00 0.00 N ATOM 2 CA THR A 9 15.433 13.657 -1.939 1.00 0.00 C ATOM 3 C THR A 9 14.286 12.719 -2.319 1.00 0.00 C ATOM 4 O THR A 9 13.127 13.074 -2.231 1.00 0.00 O ATOM 5 CB THR A 9 15.472 13.823 -0.418 1.00 0.00 C ATOM 6 OG1 THR A 9 16.234 14.974 -0.089 1.00 0.00 O ATOM 7 CG2 THR A 9 16.110 12.584 0.215 1.00 0.00 C ATOM 0 HA THR A 9 16.376 13.234 -2.284 1.00 0.00 H new ATOM 0 HB THR A 9 14.457 13.940 -0.037 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.137 15.644 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.138 12.702 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.522 11.702 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.125 12.464 -0.163 1.00 0.00 H new ATOM 17 N PHE A 10 14.599 11.525 -2.742 1.00 0.00 N ATOM 18 CA PHE A 10 13.525 10.565 -3.127 1.00 0.00 C ATOM 19 C PHE A 10 13.077 9.786 -1.887 1.00 0.00 C ATOM 20 O PHE A 10 13.401 10.142 -0.771 1.00 0.00 O ATOM 21 CB PHE A 10 14.065 9.594 -4.182 1.00 0.00 C ATOM 22 CG PHE A 10 13.940 10.229 -5.568 1.00 0.00 C ATOM 23 CD1 PHE A 10 14.683 11.347 -5.898 1.00 0.00 C ATOM 24 CD2 PHE A 10 13.080 9.691 -6.511 1.00 0.00 C ATOM 25 CE1 PHE A 10 14.570 11.919 -7.149 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.968 10.263 -7.761 1.00 0.00 C ATOM 27 CZ PHE A 10 13.712 11.377 -8.080 1.00 0.00 C ATOM 0 H PHE A 10 15.551 11.172 -2.838 1.00 0.00 H new ATOM 0 HA PHE A 10 12.675 11.108 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.107 9.355 -3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.510 8.657 -4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.357 11.776 -5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.493 8.818 -6.266 1.00 0.00 H new ATOM 0 HE1 PHE A 10 15.155 12.792 -7.398 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.296 9.837 -8.491 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.623 11.825 -9.059 1.00 0.00 H new ATOM 37 N VAL A 11 12.338 8.726 -2.068 1.00 0.00 N ATOM 38 CA VAL A 11 11.876 7.934 -0.893 1.00 0.00 C ATOM 39 C VAL A 11 11.703 6.473 -1.305 1.00 0.00 C ATOM 40 O VAL A 11 10.971 6.161 -2.223 1.00 0.00 O ATOM 41 CB VAL A 11 10.539 8.487 -0.396 1.00 0.00 C ATOM 42 CG1 VAL A 11 10.377 8.172 1.092 1.00 0.00 C ATOM 43 CG2 VAL A 11 10.505 10.002 -0.604 1.00 0.00 C ATOM 0 H VAL A 11 12.035 8.375 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 11 12.614 8.003 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 11 9.725 8.025 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.424 8.566 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.400 7.092 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.191 8.633 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.553 10.397 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.319 10.464 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.619 10.226 -1.665 1.00 0.00 H new ATOM 53 N ALA A 12 12.367 5.572 -0.633 1.00 0.00 N ATOM 54 CA ALA A 12 12.234 4.132 -0.991 1.00 0.00 C ATOM 55 C ALA A 12 10.825 3.648 -0.650 1.00 0.00 C ATOM 56 O ALA A 12 10.579 3.131 0.421 1.00 0.00 O ATOM 57 CB ALA A 12 13.256 3.310 -0.207 1.00 0.00 C ATOM 0 H ALA A 12 12.994 5.771 0.146 1.00 0.00 H new ATOM 0 HA ALA A 12 12.413 4.010 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.156 2.257 -0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.262 3.651 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.080 3.434 0.862 1.00 0.00 H new ATOM 63 N LEU A 13 9.899 3.821 -1.553 1.00 0.00 N ATOM 64 CA LEU A 13 8.501 3.375 -1.297 1.00 0.00 C ATOM 65 C LEU A 13 8.512 2.026 -0.581 1.00 0.00 C ATOM 66 O LEU A 13 7.769 1.801 0.354 1.00 0.00 O ATOM 67 CB LEU A 13 7.773 3.223 -2.631 1.00 0.00 C ATOM 68 CG LEU A 13 6.980 4.493 -2.931 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.194 4.300 -4.228 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.010 4.768 -1.781 1.00 0.00 C ATOM 0 H LEU A 13 10.053 4.255 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 13 7.995 4.113 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.491 3.034 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.103 2.364 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 13 7.662 5.336 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.626 5.204 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.886 4.099 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.509 3.459 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.442 5.674 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.325 3.927 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.571 4.899 -0.855 1.00 0.00 H new ATOM 82 N TYR A 14 9.351 1.127 -1.013 1.00 0.00 N ATOM 83 CA TYR A 14 9.410 -0.209 -0.357 1.00 0.00 C ATOM 84 C TYR A 14 10.862 -0.562 -0.035 1.00 0.00 C ATOM 85 O TYR A 14 11.773 0.184 -0.330 1.00 0.00 O ATOM 86 CB TYR A 14 8.831 -1.258 -1.306 1.00 0.00 C ATOM 87 CG TYR A 14 7.345 -0.976 -1.531 1.00 0.00 C ATOM 88 CD1 TYR A 14 6.941 -0.096 -2.514 1.00 0.00 C ATOM 89 CD2 TYR A 14 6.388 -1.599 -0.756 1.00 0.00 C ATOM 90 CE1 TYR A 14 5.600 0.158 -2.719 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.048 -1.345 -0.960 1.00 0.00 C ATOM 92 CZ TYR A 14 4.643 -0.465 -1.942 1.00 0.00 C ATOM 93 OH TYR A 14 3.302 -0.212 -2.146 1.00 0.00 O ATOM 0 H TYR A 14 9.998 1.259 -1.791 1.00 0.00 H new ATOM 0 HA TYR A 14 8.833 -0.187 0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.364 -1.238 -2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.964 -2.256 -0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.680 0.398 -3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.691 -2.291 0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.297 0.849 -3.492 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.310 -1.839 -0.346 1.00 0.00 H new ATOM 0 HH TYR A 14 2.770 -0.736 -1.512 1.00 0.00 H new ATOM 103 N ASP A 15 11.082 -1.695 0.572 1.00 0.00 N ATOM 104 CA ASP A 15 12.473 -2.101 0.913 1.00 0.00 C ATOM 105 C ASP A 15 12.968 -3.135 -0.102 1.00 0.00 C ATOM 106 O ASP A 15 13.280 -4.258 0.248 1.00 0.00 O ATOM 107 CB ASP A 15 12.495 -2.708 2.317 1.00 0.00 C ATOM 108 CG ASP A 15 11.749 -4.045 2.306 1.00 0.00 C ATOM 109 OD1 ASP A 15 10.599 -4.056 1.901 1.00 0.00 O ATOM 110 OD2 ASP A 15 12.343 -5.034 2.704 1.00 0.00 O ATOM 0 H ASP A 15 10.357 -2.358 0.847 1.00 0.00 H new ATOM 0 HA ASP A 15 13.125 -1.228 0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.524 -2.856 2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.029 -2.025 3.028 1.00 0.00 H new ATOM 115 N TYR A 16 13.033 -2.768 -1.356 1.00 0.00 N ATOM 116 CA TYR A 16 13.505 -3.726 -2.402 1.00 0.00 C ATOM 117 C TYR A 16 14.690 -4.534 -1.857 1.00 0.00 C ATOM 118 O TYR A 16 15.790 -4.035 -1.736 1.00 0.00 O ATOM 119 CB TYR A 16 13.923 -2.934 -3.658 1.00 0.00 C ATOM 120 CG TYR A 16 15.132 -3.586 -4.351 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.068 -4.893 -4.792 1.00 0.00 C ATOM 122 CD2 TYR A 16 16.304 -2.876 -4.532 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.157 -5.480 -5.404 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.393 -3.464 -5.144 1.00 0.00 C ATOM 125 CZ TYR A 16 17.328 -4.771 -5.585 1.00 0.00 C ATOM 126 OH TYR A 16 18.417 -5.359 -6.197 1.00 0.00 O ATOM 0 H TYR A 16 12.779 -1.843 -1.702 1.00 0.00 H new ATOM 0 HA TYR A 16 12.704 -4.417 -2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 16 13.086 -2.883 -4.354 1.00 0.00 H new ATOM 0 HB3 TYR A 16 14.169 -1.909 -3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.159 -5.460 -4.657 1.00 0.00 H new ATOM 0 HD2 TYR A 16 16.368 -1.853 -4.192 1.00 0.00 H new ATOM 0 HE1 TYR A 16 16.093 -6.503 -5.744 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.303 -2.897 -5.279 1.00 0.00 H new ATOM 0 HH TYR A 16 18.750 -4.771 -6.907 1.00 0.00 H new ATOM 136 N GLU A 17 14.471 -5.779 -1.529 1.00 0.00 N ATOM 137 CA GLU A 17 15.585 -6.612 -0.997 1.00 0.00 C ATOM 138 C GLU A 17 16.623 -6.824 -2.102 1.00 0.00 C ATOM 139 O GLU A 17 16.305 -7.265 -3.189 1.00 0.00 O ATOM 140 CB GLU A 17 15.037 -7.965 -0.522 1.00 0.00 C ATOM 141 CG GLU A 17 14.784 -8.885 -1.722 1.00 0.00 C ATOM 142 CD GLU A 17 13.759 -8.241 -2.658 1.00 0.00 C ATOM 143 OE1 GLU A 17 12.616 -8.110 -2.252 1.00 0.00 O ATOM 144 OE2 GLU A 17 14.134 -7.891 -3.765 1.00 0.00 O ATOM 0 H GLU A 17 13.571 -6.253 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 17 16.053 -6.107 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.746 -8.433 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.111 -7.816 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.716 -9.066 -2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.420 -9.854 -1.380 1.00 0.00 H new ATOM 151 N SER A 18 17.859 -6.510 -1.836 1.00 0.00 N ATOM 152 CA SER A 18 18.912 -6.694 -2.872 1.00 0.00 C ATOM 153 C SER A 18 19.514 -8.095 -2.750 1.00 0.00 C ATOM 154 O SER A 18 19.294 -8.794 -1.782 1.00 0.00 O ATOM 155 CB SER A 18 20.008 -5.646 -2.676 1.00 0.00 C ATOM 156 OG SER A 18 21.276 -6.231 -2.931 1.00 0.00 O ATOM 0 H SER A 18 18.186 -6.134 -0.946 1.00 0.00 H new ATOM 0 HA SER A 18 18.471 -6.577 -3.862 1.00 0.00 H new ATOM 0 HB2 SER A 18 19.843 -4.803 -3.347 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.974 -5.255 -1.659 1.00 0.00 H new ATOM 0 HG SER A 18 21.906 -5.536 -3.215 1.00 0.00 H new ATOM 162 N ARG A 19 20.272 -8.510 -3.728 1.00 0.00 N ATOM 163 CA ARG A 19 20.891 -9.864 -3.672 1.00 0.00 C ATOM 164 C ARG A 19 22.351 -9.778 -4.117 1.00 0.00 C ATOM 165 O ARG A 19 22.988 -10.776 -4.388 1.00 0.00 O ATOM 166 CB ARG A 19 20.130 -10.812 -4.601 1.00 0.00 C ATOM 167 CG ARG A 19 19.559 -11.975 -3.787 1.00 0.00 C ATOM 168 CD ARG A 19 20.461 -13.200 -3.944 1.00 0.00 C ATOM 169 NE ARG A 19 19.820 -14.375 -3.292 1.00 0.00 N ATOM 170 CZ ARG A 19 19.131 -15.222 -4.007 1.00 0.00 C ATOM 171 NH1 ARG A 19 19.743 -16.160 -4.677 1.00 0.00 N ATOM 172 NH2 ARG A 19 17.830 -15.129 -4.054 1.00 0.00 N ATOM 0 H ARG A 19 20.489 -7.969 -4.565 1.00 0.00 H new ATOM 0 HA ARG A 19 20.845 -10.241 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.325 -10.277 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.796 -11.190 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.487 -11.696 -2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 19 18.549 -12.208 -4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 19 20.633 -13.406 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.435 -13.008 -3.494 1.00 0.00 H new ATOM 0 HE ARG A 19 19.919 -14.518 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 19 20.760 -16.231 -4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.204 -16.822 -5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 19 17.352 -14.394 -3.532 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.291 -15.791 -4.613 1.00 0.00 H new ATOM 186 N THR A 20 22.888 -8.590 -4.197 1.00 0.00 N ATOM 187 CA THR A 20 24.307 -8.441 -4.625 1.00 0.00 C ATOM 188 C THR A 20 24.798 -7.032 -4.281 1.00 0.00 C ATOM 189 O THR A 20 24.018 -6.115 -4.118 1.00 0.00 O ATOM 190 CB THR A 20 24.411 -8.661 -6.136 1.00 0.00 C ATOM 191 OG1 THR A 20 25.543 -7.966 -6.638 1.00 0.00 O ATOM 192 CG2 THR A 20 23.144 -8.139 -6.818 1.00 0.00 C ATOM 0 H THR A 20 22.405 -7.717 -3.984 1.00 0.00 H new ATOM 0 HA THR A 20 24.921 -9.178 -4.107 1.00 0.00 H new ATOM 0 HB THR A 20 24.519 -9.726 -6.342 1.00 0.00 H new ATOM 0 HG1 THR A 20 25.281 -7.434 -7.418 1.00 0.00 H new ATOM 0 HG21 THR A 20 23.219 -8.296 -7.894 1.00 0.00 H new ATOM 0 HG22 THR A 20 22.276 -8.675 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 20 23.033 -7.074 -6.614 1.00 0.00 H new ATOM 200 N GLU A 21 26.085 -6.852 -4.168 1.00 0.00 N ATOM 201 CA GLU A 21 26.624 -5.506 -3.834 1.00 0.00 C ATOM 202 C GLU A 21 26.283 -4.524 -4.956 1.00 0.00 C ATOM 203 O GLU A 21 26.097 -3.346 -4.726 1.00 0.00 O ATOM 204 CB GLU A 21 28.141 -5.594 -3.674 1.00 0.00 C ATOM 205 CG GLU A 21 28.720 -6.519 -4.747 1.00 0.00 C ATOM 206 CD GLU A 21 29.021 -7.888 -4.133 1.00 0.00 C ATOM 207 OE1 GLU A 21 28.964 -7.996 -2.920 1.00 0.00 O ATOM 208 OE2 GLU A 21 29.305 -8.803 -4.887 1.00 0.00 O ATOM 0 H GLU A 21 26.787 -7.581 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 21 26.179 -5.156 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.583 -4.601 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.391 -5.971 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 21 28.014 -6.625 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 21 29.630 -6.087 -5.162 1.00 0.00 H new ATOM 215 N THR A 22 26.200 -4.998 -6.169 1.00 0.00 N ATOM 216 CA THR A 22 25.872 -4.089 -7.303 1.00 0.00 C ATOM 217 C THR A 22 24.704 -3.183 -6.907 1.00 0.00 C ATOM 218 O THR A 22 24.733 -1.987 -7.119 1.00 0.00 O ATOM 219 CB THR A 22 25.481 -4.921 -8.527 1.00 0.00 C ATOM 220 OG1 THR A 22 24.676 -6.016 -8.113 1.00 0.00 O ATOM 221 CG2 THR A 22 26.743 -5.445 -9.214 1.00 0.00 C ATOM 0 H THR A 22 26.345 -5.975 -6.424 1.00 0.00 H new ATOM 0 HA THR A 22 26.742 -3.477 -7.543 1.00 0.00 H new ATOM 0 HB THR A 22 24.921 -4.300 -9.226 1.00 0.00 H new ATOM 0 HG1 THR A 22 24.423 -6.550 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.464 -6.037 -10.085 1.00 0.00 H new ATOM 0 HG22 THR A 22 27.361 -4.605 -9.530 1.00 0.00 H new ATOM 0 HG23 THR A 22 27.305 -6.067 -8.517 1.00 0.00 H new ATOM 229 N ASP A 23 23.677 -3.745 -6.332 1.00 0.00 N ATOM 230 CA ASP A 23 22.507 -2.918 -5.921 1.00 0.00 C ATOM 231 C ASP A 23 22.507 -2.771 -4.402 1.00 0.00 C ATOM 232 O ASP A 23 22.749 -3.714 -3.676 1.00 0.00 O ATOM 233 CB ASP A 23 21.209 -3.596 -6.371 1.00 0.00 C ATOM 234 CG ASP A 23 21.465 -4.415 -7.638 1.00 0.00 C ATOM 235 OD1 ASP A 23 22.197 -3.938 -8.489 1.00 0.00 O ATOM 236 OD2 ASP A 23 20.928 -5.506 -7.734 1.00 0.00 O ATOM 0 H ASP A 23 23.597 -4.741 -6.129 1.00 0.00 H new ATOM 0 HA ASP A 23 22.575 -1.934 -6.386 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.832 -4.243 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.442 -2.845 -6.561 1.00 0.00 H new ATOM 241 N LEU A 24 22.236 -1.593 -3.917 1.00 0.00 N ATOM 242 CA LEU A 24 22.221 -1.380 -2.445 1.00 0.00 C ATOM 243 C LEU A 24 20.828 -1.694 -1.903 1.00 0.00 C ATOM 244 O LEU A 24 19.830 -1.457 -2.554 1.00 0.00 O ATOM 245 CB LEU A 24 22.574 0.076 -2.139 1.00 0.00 C ATOM 246 CG LEU A 24 24.098 0.248 -2.082 1.00 0.00 C ATOM 247 CD1 LEU A 24 24.608 -0.210 -0.718 1.00 0.00 C ATOM 248 CD2 LEU A 24 24.770 -0.587 -3.176 1.00 0.00 C ATOM 0 H LEU A 24 22.024 -0.767 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 24 22.951 -2.037 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 24 22.155 0.729 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.131 0.374 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 24 24.340 1.299 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.690 -0.089 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.144 0.391 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.354 -1.259 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 24 25.851 -0.455 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 24 24.526 -1.640 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.412 -0.262 -4.153 1.00 0.00 H new ATOM 260 N SER A 25 20.753 -2.226 -0.717 1.00 0.00 N ATOM 261 CA SER A 25 19.427 -2.555 -0.134 1.00 0.00 C ATOM 262 C SER A 25 18.948 -1.393 0.734 1.00 0.00 C ATOM 263 O SER A 25 19.670 -0.892 1.573 1.00 0.00 O ATOM 264 CB SER A 25 19.546 -3.814 0.720 1.00 0.00 C ATOM 265 OG SER A 25 20.792 -4.444 0.465 1.00 0.00 O ATOM 0 H SER A 25 21.554 -2.447 -0.126 1.00 0.00 H new ATOM 0 HA SER A 25 18.710 -2.727 -0.937 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.465 -3.558 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.728 -4.498 0.494 1.00 0.00 H new ATOM 0 HG SER A 25 20.869 -5.252 1.015 1.00 0.00 H new ATOM 271 N PHE A 26 17.735 -0.961 0.540 1.00 0.00 N ATOM 272 CA PHE A 26 17.208 0.167 1.355 1.00 0.00 C ATOM 273 C PHE A 26 15.886 -0.247 1.998 1.00 0.00 C ATOM 274 O PHE A 26 15.413 -1.350 1.808 1.00 0.00 O ATOM 275 CB PHE A 26 16.988 1.392 0.463 1.00 0.00 C ATOM 276 CG PHE A 26 16.243 0.983 -0.811 1.00 0.00 C ATOM 277 CD1 PHE A 26 14.869 0.832 -0.795 1.00 0.00 C ATOM 278 CD2 PHE A 26 16.927 0.777 -1.998 1.00 0.00 C ATOM 279 CE1 PHE A 26 14.189 0.485 -1.944 1.00 0.00 C ATOM 280 CE2 PHE A 26 16.246 0.428 -3.146 1.00 0.00 C ATOM 281 CZ PHE A 26 14.878 0.283 -3.119 1.00 0.00 C ATOM 0 H PHE A 26 17.085 -1.340 -0.148 1.00 0.00 H new ATOM 0 HA PHE A 26 17.928 0.419 2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 26 16.416 2.147 1.002 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.947 1.842 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.324 0.987 0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 26 18.001 0.890 -2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.115 0.372 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.787 0.268 -4.067 1.00 0.00 H new ATOM 0 HZ PHE A 26 14.345 0.011 -4.018 1.00 0.00 H new ATOM 291 N LYS A 27 15.284 0.625 2.758 1.00 0.00 N ATOM 292 CA LYS A 27 13.993 0.271 3.411 1.00 0.00 C ATOM 293 C LYS A 27 12.999 1.423 3.254 1.00 0.00 C ATOM 294 O LYS A 27 13.353 2.512 2.846 1.00 0.00 O ATOM 295 CB LYS A 27 14.231 0.005 4.899 1.00 0.00 C ATOM 296 CG LYS A 27 13.087 -0.846 5.457 1.00 0.00 C ATOM 297 CD LYS A 27 13.663 -1.981 6.305 1.00 0.00 C ATOM 298 CE LYS A 27 12.835 -2.136 7.582 1.00 0.00 C ATOM 299 NZ LYS A 27 13.664 -2.781 8.637 1.00 0.00 N ATOM 0 H LYS A 27 15.629 1.565 2.955 1.00 0.00 H new ATOM 0 HA LYS A 27 13.585 -0.623 2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.182 -0.509 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.295 0.948 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.421 -0.229 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.491 -1.254 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.655 -2.912 5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.702 -1.770 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.488 -1.161 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.949 -2.738 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.101 -2.886 9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.974 -3.718 8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.497 -2.190 8.834 1.00 0.00 H new ATOM 313 N LYS A 28 11.757 1.190 3.577 1.00 0.00 N ATOM 314 CA LYS A 28 10.736 2.265 3.449 1.00 0.00 C ATOM 315 C LYS A 28 11.011 3.350 4.494 1.00 0.00 C ATOM 316 O LYS A 28 10.624 3.235 5.640 1.00 0.00 O ATOM 317 CB LYS A 28 9.343 1.666 3.670 1.00 0.00 C ATOM 318 CG LYS A 28 8.331 2.785 3.938 1.00 0.00 C ATOM 319 CD LYS A 28 6.967 2.174 4.259 1.00 0.00 C ATOM 320 CE LYS A 28 6.291 2.985 5.368 1.00 0.00 C ATOM 321 NZ LYS A 28 4.943 2.416 5.650 1.00 0.00 N ATOM 0 H LYS A 28 11.405 0.298 3.925 1.00 0.00 H new ATOM 0 HA LYS A 28 10.783 2.706 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.041 1.093 2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.365 0.974 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.669 3.404 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.254 3.436 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.341 2.166 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.086 1.137 4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.902 2.966 6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.201 4.029 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.484 2.967 6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.362 2.456 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.041 1.427 5.955 1.00 0.00 H new ATOM 335 N GLY A 29 11.677 4.402 4.104 1.00 0.00 N ATOM 336 CA GLY A 29 11.979 5.495 5.071 1.00 0.00 C ATOM 337 C GLY A 29 13.495 5.686 5.167 1.00 0.00 C ATOM 338 O GLY A 29 13.989 6.390 6.025 1.00 0.00 O ATOM 0 H GLY A 29 12.025 4.552 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.505 6.422 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.569 5.251 6.051 1.00 0.00 H new ATOM 342 N GLU A 30 14.237 5.066 4.290 1.00 0.00 N ATOM 343 CA GLU A 30 15.719 5.213 4.330 1.00 0.00 C ATOM 344 C GLU A 30 16.143 6.409 3.478 1.00 0.00 C ATOM 345 O GLU A 30 15.341 7.014 2.793 1.00 0.00 O ATOM 346 CB GLU A 30 16.372 3.944 3.779 1.00 0.00 C ATOM 347 CG GLU A 30 17.738 3.748 4.436 1.00 0.00 C ATOM 348 CD GLU A 30 18.035 2.251 4.556 1.00 0.00 C ATOM 349 OE1 GLU A 30 17.549 1.645 5.496 1.00 0.00 O ATOM 350 OE2 GLU A 30 18.742 1.739 3.704 1.00 0.00 O ATOM 0 H GLU A 30 13.880 4.464 3.548 1.00 0.00 H new ATOM 0 HA GLU A 30 16.036 5.372 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.736 3.081 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.484 4.020 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.512 4.237 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.749 4.212 5.422 1.00 0.00 H new ATOM 357 N ARG A 31 17.402 6.757 3.515 1.00 0.00 N ATOM 358 CA ARG A 31 17.880 7.914 2.707 1.00 0.00 C ATOM 359 C ARG A 31 18.302 7.422 1.323 1.00 0.00 C ATOM 360 O ARG A 31 18.972 6.416 1.191 1.00 0.00 O ATOM 361 CB ARG A 31 19.078 8.563 3.403 1.00 0.00 C ATOM 362 CG ARG A 31 18.581 9.564 4.449 1.00 0.00 C ATOM 363 CD ARG A 31 19.273 10.912 4.234 1.00 0.00 C ATOM 364 NE ARG A 31 20.491 10.986 5.089 1.00 0.00 N ATOM 365 CZ ARG A 31 20.385 10.890 6.386 1.00 0.00 C ATOM 366 NH1 ARG A 31 19.216 10.989 6.955 1.00 0.00 N ATOM 367 NH2 ARG A 31 21.451 10.693 7.114 1.00 0.00 N ATOM 0 H ARG A 31 18.119 6.290 4.070 1.00 0.00 H new ATOM 0 HA ARG A 31 17.078 8.646 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 31 19.693 7.799 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 31 19.707 9.069 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 31 17.500 9.681 4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 31 18.790 9.192 5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 31 19.544 11.031 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 31 18.592 11.726 4.481 1.00 0.00 H new ATOM 0 HE ARG A 31 21.408 11.112 4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.383 11.142 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.134 10.914 7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 31 22.365 10.614 6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 31 21.369 10.618 8.128 1.00 0.00 H new ATOM 381 N LEU A 32 17.922 8.121 0.289 1.00 0.00 N ATOM 382 CA LEU A 32 18.305 7.687 -1.084 1.00 0.00 C ATOM 383 C LEU A 32 18.329 8.901 -2.016 1.00 0.00 C ATOM 384 O LEU A 32 17.304 9.471 -2.333 1.00 0.00 O ATOM 385 CB LEU A 32 17.286 6.668 -1.599 1.00 0.00 C ATOM 386 CG LEU A 32 17.797 5.251 -1.331 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.615 4.334 -1.013 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.529 4.728 -2.569 1.00 0.00 C ATOM 0 H LEU A 32 17.363 8.973 0.335 1.00 0.00 H new ATOM 0 HA LEU A 32 19.294 7.231 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.325 6.818 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.122 6.810 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 32 18.483 5.268 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.979 3.324 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.094 4.705 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.929 4.318 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.893 3.719 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.844 4.712 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.372 5.380 -2.796 1.00 0.00 H new ATOM 400 N GLN A 33 19.490 9.298 -2.459 1.00 0.00 N ATOM 401 CA GLN A 33 19.579 10.474 -3.371 1.00 0.00 C ATOM 402 C GLN A 33 19.681 9.994 -4.822 1.00 0.00 C ATOM 403 O GLN A 33 20.745 9.659 -5.302 1.00 0.00 O ATOM 404 CB GLN A 33 20.820 11.297 -3.017 1.00 0.00 C ATOM 405 CG GLN A 33 20.541 12.130 -1.763 1.00 0.00 C ATOM 406 CD GLN A 33 20.762 13.612 -2.076 1.00 0.00 C ATOM 407 OE1 GLN A 33 19.875 14.422 -1.899 1.00 0.00 O ATOM 408 NE2 GLN A 33 21.920 14.002 -2.537 1.00 0.00 N ATOM 0 H GLN A 33 20.381 8.859 -2.229 1.00 0.00 H new ATOM 0 HA GLN A 33 18.687 11.090 -3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.670 10.637 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 33 21.086 11.950 -3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 33 19.517 11.967 -1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.198 11.817 -0.952 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.665 13.322 -2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 33 22.079 14.987 -2.748 1.00 0.00 H new ATOM 417 N ILE A 34 18.581 9.963 -5.525 1.00 0.00 N ATOM 418 CA ILE A 34 18.611 9.506 -6.946 1.00 0.00 C ATOM 419 C ILE A 34 19.818 10.120 -7.659 1.00 0.00 C ATOM 420 O ILE A 34 20.298 11.173 -7.291 1.00 0.00 O ATOM 421 CB ILE A 34 17.325 9.949 -7.647 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.153 9.112 -7.136 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.473 9.750 -9.157 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.440 7.629 -7.378 1.00 0.00 C ATOM 0 H ILE A 34 17.661 10.235 -5.177 1.00 0.00 H new ATOM 0 HA ILE A 34 18.689 8.419 -6.976 1.00 0.00 H new ATOM 0 HB ILE A 34 17.140 11.002 -7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 34 15.999 9.294 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.235 9.403 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.557 10.065 -9.657 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.310 10.346 -9.522 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.658 8.697 -9.369 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.604 7.032 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.573 7.454 -8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.348 7.343 -6.848 1.00 0.00 H new ATOM 436 N VAL A 35 20.311 9.470 -8.680 1.00 0.00 N ATOM 437 CA VAL A 35 21.485 10.021 -9.413 1.00 0.00 C ATOM 438 C VAL A 35 21.067 10.443 -10.821 1.00 0.00 C ATOM 439 O VAL A 35 20.841 11.607 -11.090 1.00 0.00 O ATOM 440 CB VAL A 35 22.576 8.953 -9.514 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.754 9.508 -10.319 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.050 8.573 -8.110 1.00 0.00 C ATOM 0 H VAL A 35 19.952 8.584 -9.036 1.00 0.00 H new ATOM 0 HA VAL A 35 21.866 10.887 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 35 22.177 8.069 -10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.533 8.750 -10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.416 9.779 -11.319 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.153 10.391 -9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 35 23.827 7.812 -8.182 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.451 9.455 -7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.210 8.181 -7.536 1.00 0.00 H new ATOM 452 N ASN A 36 20.964 9.507 -11.721 1.00 0.00 N ATOM 453 CA ASN A 36 20.563 9.849 -13.110 1.00 0.00 C ATOM 454 C ASN A 36 19.336 9.029 -13.517 1.00 0.00 C ATOM 455 O ASN A 36 18.716 8.372 -12.704 1.00 0.00 O ATOM 456 CB ASN A 36 21.719 9.527 -14.055 1.00 0.00 C ATOM 457 CG ASN A 36 22.444 8.263 -13.580 1.00 0.00 C ATOM 458 OD1 ASN A 36 21.833 7.364 -13.039 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.732 8.156 -13.767 1.00 0.00 N ATOM 0 H ASN A 36 21.141 8.517 -11.553 1.00 0.00 H new ATOM 0 HA ASN A 36 20.318 10.910 -13.165 1.00 0.00 H new ATOM 0 HB2 ASN A 36 21.343 9.382 -15.068 1.00 0.00 H new ATOM 0 HB3 ASN A 36 22.415 10.365 -14.090 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.224 7.318 -13.459 1.00 0.00 H new ATOM 0 HD22 ASN A 36 24.246 8.911 -14.221 1.00 0.00 H new ATOM 466 N ASN A 37 18.983 9.065 -14.774 1.00 0.00 N ATOM 467 CA ASN A 37 17.799 8.291 -15.244 1.00 0.00 C ATOM 468 C ASN A 37 16.512 8.990 -14.809 1.00 0.00 C ATOM 469 O ASN A 37 16.045 8.821 -13.701 1.00 0.00 O ATOM 470 CB ASN A 37 17.838 6.886 -14.647 1.00 0.00 C ATOM 471 CG ASN A 37 17.202 5.902 -15.629 1.00 0.00 C ATOM 472 OD1 ASN A 37 16.114 6.245 -16.265 1.00 0.00 O flip ATOM 473 ND2 ASN A 37 17.698 4.809 -15.822 1.00 0.00 N flip ATOM 0 H ASN A 37 19.465 9.599 -15.497 1.00 0.00 H new ATOM 0 HA ASN A 37 17.824 8.229 -16.332 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.868 6.595 -14.439 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.303 6.867 -13.697 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.548 4.540 -15.326 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.265 4.161 -16.480 1.00 0.00 H new ATOM 480 N THR A 38 15.936 9.777 -15.675 1.00 0.00 N ATOM 481 CA THR A 38 14.680 10.487 -15.313 1.00 0.00 C ATOM 482 C THR A 38 13.485 9.617 -15.700 1.00 0.00 C ATOM 483 O THR A 38 12.470 9.603 -15.032 1.00 0.00 O ATOM 484 CB THR A 38 14.606 11.823 -16.057 1.00 0.00 C ATOM 485 OG1 THR A 38 13.262 12.287 -16.061 1.00 0.00 O ATOM 486 CG2 THR A 38 15.087 11.636 -17.496 1.00 0.00 C ATOM 0 H THR A 38 16.282 9.958 -16.617 1.00 0.00 H new ATOM 0 HA THR A 38 14.665 10.677 -14.240 1.00 0.00 H new ATOM 0 HB THR A 38 15.242 12.553 -15.557 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.213 13.143 -16.536 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.034 12.588 -18.024 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.117 11.281 -17.492 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.453 10.906 -17.999 1.00 0.00 H new ATOM 494 N GLU A 39 13.598 8.888 -16.777 1.00 0.00 N ATOM 495 CA GLU A 39 12.468 8.018 -17.206 1.00 0.00 C ATOM 496 C GLU A 39 12.098 7.083 -16.056 1.00 0.00 C ATOM 497 O GLU A 39 12.569 7.237 -14.948 1.00 0.00 O ATOM 498 CB GLU A 39 12.894 7.189 -18.421 1.00 0.00 C ATOM 499 CG GLU A 39 12.401 7.864 -19.702 1.00 0.00 C ATOM 500 CD GLU A 39 13.354 7.531 -20.851 1.00 0.00 C ATOM 501 OE1 GLU A 39 14.461 7.102 -20.571 1.00 0.00 O ATOM 502 OE2 GLU A 39 12.960 7.710 -21.992 1.00 0.00 O ATOM 0 H GLU A 39 14.423 8.858 -17.377 1.00 0.00 H new ATOM 0 HA GLU A 39 11.609 8.633 -17.473 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.979 7.091 -18.444 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.484 6.182 -18.348 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.393 7.524 -19.941 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.348 8.943 -19.560 1.00 0.00 H new ATOM 509 N GLY A 40 11.258 6.119 -16.307 1.00 0.00 N ATOM 510 CA GLY A 40 10.862 5.176 -15.222 1.00 0.00 C ATOM 511 C GLY A 40 11.482 3.803 -15.494 1.00 0.00 C ATOM 512 O GLY A 40 11.002 3.049 -16.317 1.00 0.00 O ATOM 0 H GLY A 40 10.828 5.942 -17.215 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.197 5.554 -14.256 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.776 5.094 -15.174 1.00 0.00 H new ATOM 516 N ASP A 41 12.542 3.470 -14.808 1.00 0.00 N ATOM 517 CA ASP A 41 13.186 2.148 -15.032 1.00 0.00 C ATOM 518 C ASP A 41 14.021 1.772 -13.801 1.00 0.00 C ATOM 519 O ASP A 41 13.493 1.513 -12.737 1.00 0.00 O ATOM 520 CB ASP A 41 14.091 2.249 -16.258 1.00 0.00 C ATOM 521 CG ASP A 41 13.263 2.652 -17.479 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.364 1.906 -17.834 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.539 3.701 -18.038 1.00 0.00 O ATOM 0 H ASP A 41 12.988 4.057 -14.103 1.00 0.00 H new ATOM 0 HA ASP A 41 12.427 1.383 -15.194 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.877 2.983 -16.082 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.582 1.293 -16.439 1.00 0.00 H new ATOM 528 N TRP A 42 15.320 1.739 -13.939 1.00 0.00 N ATOM 529 CA TRP A 42 16.194 1.385 -12.793 1.00 0.00 C ATOM 530 C TRP A 42 17.231 2.488 -12.645 1.00 0.00 C ATOM 531 O TRP A 42 18.322 2.413 -13.174 1.00 0.00 O ATOM 532 CB TRP A 42 16.887 0.050 -13.067 1.00 0.00 C ATOM 533 CG TRP A 42 15.835 -1.054 -13.101 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.867 -1.162 -14.025 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.719 -2.028 -12.203 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.177 -2.233 -13.633 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.639 -2.835 -12.506 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.495 -2.298 -11.094 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.336 -3.911 -11.696 1.00 0.00 C ATOM 540 CZ3 TRP A 42 16.192 -3.374 -10.285 1.00 0.00 C ATOM 541 CH2 TRP A 42 15.111 -4.181 -10.585 1.00 0.00 C ATOM 0 H TRP A 42 15.814 1.945 -14.808 1.00 0.00 H new ATOM 0 HA TRP A 42 15.609 1.288 -11.878 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.422 0.091 -14.016 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.626 -0.157 -12.293 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.689 -0.531 -14.883 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.362 -2.575 -14.142 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.340 -1.667 -10.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.492 -4.542 -11.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.800 -3.585 -9.417 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.872 -5.022 -9.951 1.00 0.00 H new ATOM 552 N TRP A 43 16.893 3.514 -11.925 1.00 0.00 N ATOM 553 CA TRP A 43 17.843 4.635 -11.733 1.00 0.00 C ATOM 554 C TRP A 43 18.881 4.274 -10.673 1.00 0.00 C ATOM 555 O TRP A 43 18.649 3.451 -9.808 1.00 0.00 O ATOM 556 CB TRP A 43 17.065 5.867 -11.283 1.00 0.00 C ATOM 557 CG TRP A 43 15.738 5.946 -12.050 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.527 5.464 -13.294 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.647 6.574 -11.616 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.283 5.850 -13.568 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.657 6.541 -12.578 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.409 7.192 -10.404 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.432 7.128 -12.328 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.185 7.778 -10.156 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.197 7.747 -11.117 1.00 0.00 C ATOM 0 H TRP A 43 15.993 3.625 -11.458 1.00 0.00 H new ATOM 0 HA TRP A 43 18.358 4.837 -12.672 1.00 0.00 H new ATOM 0 HB2 TRP A 43 16.875 5.818 -10.211 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.654 6.767 -11.461 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.205 4.900 -13.917 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.831 5.642 -14.458 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.182 7.217 -9.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.658 7.103 -13.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.001 8.262 -9.208 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.239 8.207 -10.922 1.00 0.00 H new ATOM 576 N LEU A 44 20.026 4.891 -10.738 1.00 0.00 N ATOM 577 CA LEU A 44 21.092 4.600 -9.746 1.00 0.00 C ATOM 578 C LEU A 44 20.996 5.623 -8.617 1.00 0.00 C ATOM 579 O LEU A 44 20.988 6.815 -8.848 1.00 0.00 O ATOM 580 CB LEU A 44 22.457 4.711 -10.424 1.00 0.00 C ATOM 581 CG LEU A 44 23.533 4.139 -9.503 1.00 0.00 C ATOM 582 CD1 LEU A 44 23.608 2.624 -9.693 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.882 4.771 -9.852 1.00 0.00 C ATOM 0 H LEU A 44 20.269 5.589 -11.441 1.00 0.00 H new ATOM 0 HA LEU A 44 20.971 3.593 -9.347 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.449 4.171 -11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.677 5.754 -10.654 1.00 0.00 H new ATOM 0 HG LEU A 44 23.287 4.360 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 44 24.375 2.213 -9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 44 22.644 2.178 -9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 44 23.859 2.399 -10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.654 4.366 -9.197 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.131 4.547 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 44 24.823 5.851 -9.719 1.00 0.00 H new ATOM 595 N ALA A 45 20.919 5.176 -7.397 1.00 0.00 N ATOM 596 CA ALA A 45 20.824 6.140 -6.271 1.00 0.00 C ATOM 597 C ALA A 45 22.131 6.146 -5.479 1.00 0.00 C ATOM 598 O ALA A 45 22.925 5.229 -5.559 1.00 0.00 O ATOM 599 CB ALA A 45 19.670 5.738 -5.352 1.00 0.00 C ATOM 0 H ALA A 45 20.918 4.191 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 45 20.643 7.139 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.600 6.445 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.737 5.745 -5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.849 4.737 -4.959 1.00 0.00 H new ATOM 605 N HIS A 46 22.355 7.177 -4.715 1.00 0.00 N ATOM 606 CA HIS A 46 23.603 7.261 -3.911 1.00 0.00 C ATOM 607 C HIS A 46 23.246 7.708 -2.489 1.00 0.00 C ATOM 608 O HIS A 46 22.600 8.716 -2.290 1.00 0.00 O ATOM 609 CB HIS A 46 24.552 8.272 -4.570 1.00 0.00 C ATOM 610 CG HIS A 46 25.539 8.838 -3.544 1.00 0.00 C ATOM 611 ND1 HIS A 46 25.306 9.608 -2.419 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 26.797 8.691 -3.585 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 26.472 9.895 -1.820 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.353 9.291 -2.602 1.00 0.00 N flip ATOM 0 H HIS A 46 21.722 7.970 -4.613 1.00 0.00 H new ATOM 0 HA HIS A 46 24.096 6.290 -3.865 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.099 7.790 -5.380 1.00 0.00 H new ATOM 0 HB3 HIS A 46 23.975 9.084 -5.013 1.00 0.00 H new ATOM 0 HD1 HIS A 46 24.388 9.911 -2.094 1.00 0.00 H new ATOM 0 HD2 HIS A 46 27.326 8.136 -4.345 1.00 0.00 H new ATOM 0 HE1 HIS A 46 26.648 10.473 -0.925 1.00 0.00 H new ATOM 622 N SER A 47 23.660 6.962 -1.502 1.00 0.00 N ATOM 623 CA SER A 47 23.344 7.345 -0.097 1.00 0.00 C ATOM 624 C SER A 47 24.332 8.409 0.379 1.00 0.00 C ATOM 625 O SER A 47 25.446 8.495 -0.100 1.00 0.00 O ATOM 626 CB SER A 47 23.451 6.113 0.803 1.00 0.00 C ATOM 627 OG SER A 47 23.530 4.944 0.001 1.00 0.00 O ATOM 0 H SER A 47 24.203 6.105 -1.607 1.00 0.00 H new ATOM 0 HA SER A 47 22.331 7.745 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.333 6.190 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.585 6.056 1.463 1.00 0.00 H new ATOM 0 HG SER A 47 23.600 4.155 0.578 1.00 0.00 H new ATOM 633 N LEU A 48 23.932 9.223 1.315 1.00 0.00 N ATOM 634 CA LEU A 48 24.849 10.282 1.822 1.00 0.00 C ATOM 635 C LEU A 48 25.663 9.726 2.992 1.00 0.00 C ATOM 636 O LEU A 48 26.256 10.463 3.755 1.00 0.00 O ATOM 637 CB LEU A 48 24.032 11.486 2.292 1.00 0.00 C ATOM 638 CG LEU A 48 23.303 12.103 1.097 1.00 0.00 C ATOM 639 CD1 LEU A 48 22.451 13.282 1.572 1.00 0.00 C ATOM 640 CD2 LEU A 48 24.328 12.594 0.074 1.00 0.00 C ATOM 0 H LEU A 48 23.010 9.201 1.751 1.00 0.00 H new ATOM 0 HA LEU A 48 25.523 10.595 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.313 11.178 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 48 24.686 12.225 2.754 1.00 0.00 H new ATOM 0 HG LEU A 48 22.660 11.353 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.931 13.722 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.721 12.932 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 48 23.093 14.033 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.810 13.034 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.971 13.344 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.935 11.754 -0.265 1.00 0.00 H new ATOM 652 N THR A 49 25.694 8.430 3.139 1.00 0.00 N ATOM 653 CA THR A 49 26.468 7.825 4.258 1.00 0.00 C ATOM 654 C THR A 49 27.949 7.762 3.873 1.00 0.00 C ATOM 655 O THR A 49 28.678 8.720 4.030 1.00 0.00 O ATOM 656 CB THR A 49 25.942 6.413 4.533 1.00 0.00 C ATOM 657 OG1 THR A 49 24.595 6.492 4.977 1.00 0.00 O ATOM 658 CG2 THR A 49 26.798 5.747 5.610 1.00 0.00 C ATOM 0 H THR A 49 25.216 7.764 2.532 1.00 0.00 H new ATOM 0 HA THR A 49 26.355 8.432 5.156 1.00 0.00 H new ATOM 0 HB THR A 49 25.991 5.822 3.619 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.255 5.590 5.152 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.422 4.743 5.804 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.831 5.688 5.268 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.752 6.335 6.527 1.00 0.00 H new ATOM 666 N THR A 50 28.402 6.645 3.369 1.00 0.00 N ATOM 667 CA THR A 50 29.835 6.534 2.979 1.00 0.00 C ATOM 668 C THR A 50 29.999 7.020 1.538 1.00 0.00 C ATOM 669 O THR A 50 31.036 7.523 1.154 1.00 0.00 O ATOM 670 CB THR A 50 30.283 5.073 3.080 1.00 0.00 C ATOM 671 OG1 THR A 50 29.471 4.395 4.027 1.00 0.00 O ATOM 672 CG2 THR A 50 31.746 5.014 3.522 1.00 0.00 C ATOM 0 H THR A 50 27.842 5.807 3.211 1.00 0.00 H new ATOM 0 HA THR A 50 30.445 7.143 3.645 1.00 0.00 H new ATOM 0 HB THR A 50 30.182 4.594 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 50 29.755 3.459 4.091 1.00 0.00 H new ATOM 0 HG21 THR A 50 32.063 3.974 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 50 32.368 5.533 2.793 1.00 0.00 H new ATOM 0 HG23 THR A 50 31.852 5.493 4.495 1.00 0.00 H new ATOM 680 N GLY A 51 28.979 6.873 0.737 1.00 0.00 N ATOM 681 CA GLY A 51 29.069 7.323 -0.679 1.00 0.00 C ATOM 682 C GLY A 51 29.038 6.105 -1.604 1.00 0.00 C ATOM 683 O GLY A 51 29.670 6.084 -2.640 1.00 0.00 O ATOM 0 H GLY A 51 28.086 6.460 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 51 28.240 7.992 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.988 7.888 -0.835 1.00 0.00 H new ATOM 687 N GLN A 52 28.304 5.090 -1.236 1.00 0.00 N ATOM 688 CA GLN A 52 28.232 3.873 -2.093 1.00 0.00 C ATOM 689 C GLN A 52 27.081 4.013 -3.092 1.00 0.00 C ATOM 690 O GLN A 52 26.112 4.704 -2.845 1.00 0.00 O ATOM 691 CB GLN A 52 27.995 2.644 -1.214 1.00 0.00 C ATOM 692 CG GLN A 52 29.153 1.658 -1.390 1.00 0.00 C ATOM 693 CD GLN A 52 29.630 1.183 -0.016 1.00 0.00 C ATOM 694 OE1 GLN A 52 30.092 1.971 0.785 1.00 0.00 O ATOM 695 NE2 GLN A 52 29.536 -0.082 0.293 1.00 0.00 N ATOM 0 H GLN A 52 27.752 5.051 -0.379 1.00 0.00 H new ATOM 0 HA GLN A 52 29.170 3.759 -2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 52 27.913 2.942 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 52 27.053 2.167 -1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 52 28.832 0.806 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 52 29.973 2.135 -1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 52 29.148 -0.744 -0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 52 29.850 -0.409 1.207 1.00 0.00 H new ATOM 704 N THR A 53 27.180 3.360 -4.216 1.00 0.00 N ATOM 705 CA THR A 53 26.096 3.452 -5.234 1.00 0.00 C ATOM 706 C THR A 53 25.277 2.158 -5.213 1.00 0.00 C ATOM 707 O THR A 53 25.760 1.115 -4.821 1.00 0.00 O ATOM 708 CB THR A 53 26.725 3.663 -6.623 1.00 0.00 C ATOM 709 OG1 THR A 53 26.916 5.054 -6.846 1.00 0.00 O ATOM 710 CG2 THR A 53 25.815 3.093 -7.717 1.00 0.00 C ATOM 0 H THR A 53 27.967 2.765 -4.474 1.00 0.00 H new ATOM 0 HA THR A 53 25.439 4.292 -5.010 1.00 0.00 H new ATOM 0 HB THR A 53 27.683 3.145 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.318 5.192 -7.729 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.275 3.251 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.672 2.025 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.849 3.597 -7.686 1.00 0.00 H new ATOM 718 N GLY A 54 24.044 2.215 -5.639 1.00 0.00 N ATOM 719 CA GLY A 54 23.208 0.983 -5.637 1.00 0.00 C ATOM 720 C GLY A 54 22.048 1.128 -6.624 1.00 0.00 C ATOM 721 O GLY A 54 21.268 2.056 -6.549 1.00 0.00 O ATOM 0 H GLY A 54 23.583 3.056 -5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.818 0.121 -5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.821 0.799 -4.635 1.00 0.00 H new ATOM 725 N TYR A 55 21.930 0.213 -7.548 1.00 0.00 N ATOM 726 CA TYR A 55 20.822 0.291 -8.541 1.00 0.00 C ATOM 727 C TYR A 55 19.482 0.135 -7.818 1.00 0.00 C ATOM 728 O TYR A 55 19.114 -0.945 -7.400 1.00 0.00 O ATOM 729 CB TYR A 55 20.976 -0.835 -9.568 1.00 0.00 C ATOM 730 CG TYR A 55 21.437 -0.251 -10.905 1.00 0.00 C ATOM 731 CD1 TYR A 55 22.729 0.207 -11.061 1.00 0.00 C ATOM 732 CD2 TYR A 55 20.568 -0.177 -11.974 1.00 0.00 C ATOM 733 CE1 TYR A 55 23.146 0.732 -12.266 1.00 0.00 C ATOM 734 CE2 TYR A 55 20.985 0.347 -13.179 1.00 0.00 C ATOM 735 CZ TYR A 55 22.277 0.807 -13.336 1.00 0.00 C ATOM 736 OH TYR A 55 22.692 1.332 -14.542 1.00 0.00 O ATOM 0 H TYR A 55 22.554 -0.586 -7.658 1.00 0.00 H new ATOM 0 HA TYR A 55 20.856 1.255 -9.049 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.699 -1.569 -9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.028 -1.357 -9.695 1.00 0.00 H new ATOM 0 HD1 TYR A 55 23.420 0.154 -10.232 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.554 -0.532 -11.866 1.00 0.00 H new ATOM 0 HE1 TYR A 55 24.160 1.087 -12.373 1.00 0.00 H new ATOM 0 HE2 TYR A 55 20.294 0.398 -14.008 1.00 0.00 H new ATOM 0 HH TYR A 55 21.951 1.306 -15.183 1.00 0.00 H new ATOM 746 N ILE A 56 18.749 1.203 -7.665 1.00 0.00 N ATOM 747 CA ILE A 56 17.435 1.111 -6.969 1.00 0.00 C ATOM 748 C ILE A 56 16.306 1.240 -8.001 1.00 0.00 C ATOM 749 O ILE A 56 16.217 2.239 -8.687 1.00 0.00 O ATOM 750 CB ILE A 56 17.320 2.244 -5.950 1.00 0.00 C ATOM 751 CG1 ILE A 56 17.369 3.591 -6.674 1.00 0.00 C ATOM 752 CG2 ILE A 56 18.483 2.155 -4.959 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.986 4.244 -6.628 1.00 0.00 C ATOM 0 H ILE A 56 19.003 2.135 -7.992 1.00 0.00 H new ATOM 0 HA ILE A 56 17.358 0.151 -6.458 1.00 0.00 H new ATOM 0 HB ILE A 56 16.375 2.156 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 56 18.106 4.242 -6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 56 17.682 3.449 -7.708 1.00 0.00 H new ATOM 0 HG21 ILE A 56 18.403 2.962 -4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 56 18.448 1.196 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 56 19.427 2.243 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 56 16.020 5.204 -7.143 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.260 3.594 -7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.691 4.400 -5.590 1.00 0.00 H new ATOM 765 N PRO A 57 15.473 0.229 -8.085 1.00 0.00 N ATOM 766 CA PRO A 57 14.347 0.229 -9.036 1.00 0.00 C ATOM 767 C PRO A 57 13.401 1.394 -8.730 1.00 0.00 C ATOM 768 O PRO A 57 12.912 1.536 -7.627 1.00 0.00 O ATOM 769 CB PRO A 57 13.644 -1.118 -8.814 1.00 0.00 C ATOM 770 CG PRO A 57 14.419 -1.876 -7.705 1.00 0.00 C ATOM 771 CD PRO A 57 15.581 -0.979 -7.248 1.00 0.00 C ATOM 0 HA PRO A 57 14.672 0.351 -10.069 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.606 -0.964 -8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.630 -1.699 -9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.761 -2.105 -6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.796 -2.826 -8.083 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.500 -0.735 -6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.542 -1.474 -7.389 1.00 0.00 H new ATOM 779 N SER A 58 13.143 2.229 -9.698 1.00 0.00 N ATOM 780 CA SER A 58 12.231 3.386 -9.467 1.00 0.00 C ATOM 781 C SER A 58 10.834 2.873 -9.114 1.00 0.00 C ATOM 782 O SER A 58 9.986 3.615 -8.658 1.00 0.00 O ATOM 783 CB SER A 58 12.155 4.236 -10.736 1.00 0.00 C ATOM 784 OG SER A 58 12.454 3.428 -11.865 1.00 0.00 O ATOM 0 H SER A 58 13.525 2.160 -10.641 1.00 0.00 H new ATOM 0 HA SER A 58 12.614 3.991 -8.645 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.160 4.668 -10.838 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.858 5.066 -10.673 1.00 0.00 H new ATOM 0 HG SER A 58 11.641 3.294 -12.396 1.00 0.00 H new ATOM 790 N ASN A 59 10.585 1.610 -9.320 1.00 0.00 N ATOM 791 CA ASN A 59 9.242 1.052 -8.996 1.00 0.00 C ATOM 792 C ASN A 59 9.014 1.107 -7.484 1.00 0.00 C ATOM 793 O ASN A 59 7.895 1.191 -7.019 1.00 0.00 O ATOM 794 CB ASN A 59 9.166 -0.399 -9.472 1.00 0.00 C ATOM 795 CG ASN A 59 7.778 -0.671 -10.059 1.00 0.00 C ATOM 796 OD1 ASN A 59 7.345 0.012 -10.967 1.00 0.00 O ATOM 797 ND2 ASN A 59 7.058 -1.645 -9.574 1.00 0.00 N ATOM 0 H ASN A 59 11.254 0.939 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 59 8.474 1.641 -9.498 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.933 -0.587 -10.223 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.360 -1.076 -8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.131 -1.834 -9.957 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.422 -2.218 -8.812 1.00 0.00 H new ATOM 804 N TYR A 60 10.066 1.062 -6.712 1.00 0.00 N ATOM 805 CA TYR A 60 9.905 1.111 -5.231 1.00 0.00 C ATOM 806 C TYR A 60 10.356 2.475 -4.704 1.00 0.00 C ATOM 807 O TYR A 60 10.722 2.613 -3.554 1.00 0.00 O ATOM 808 CB TYR A 60 10.757 0.011 -4.591 1.00 0.00 C ATOM 809 CG TYR A 60 10.009 -1.325 -4.645 1.00 0.00 C ATOM 810 CD1 TYR A 60 8.870 -1.467 -5.414 1.00 0.00 C ATOM 811 CD2 TYR A 60 10.463 -2.408 -3.921 1.00 0.00 C ATOM 812 CE1 TYR A 60 8.198 -2.671 -5.457 1.00 0.00 C ATOM 813 CE2 TYR A 60 9.790 -3.613 -3.964 1.00 0.00 C ATOM 814 CZ TYR A 60 8.653 -3.753 -4.733 1.00 0.00 C ATOM 815 OH TYR A 60 7.981 -4.959 -4.776 1.00 0.00 O ATOM 0 H TYR A 60 11.029 0.994 -7.042 1.00 0.00 H new ATOM 0 HA TYR A 60 8.856 0.958 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.710 -0.074 -5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.983 0.270 -3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.503 -0.628 -5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.352 -2.313 -3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.309 -2.767 -6.062 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.156 -4.452 -3.391 1.00 0.00 H new ATOM 0 HH TYR A 60 8.442 -5.611 -4.207 1.00 0.00 H new ATOM 825 N VAL A 61 10.332 3.484 -5.535 1.00 0.00 N ATOM 826 CA VAL A 61 10.758 4.840 -5.078 1.00 0.00 C ATOM 827 C VAL A 61 9.732 5.877 -5.542 1.00 0.00 C ATOM 828 O VAL A 61 8.646 5.546 -5.973 1.00 0.00 O ATOM 829 CB VAL A 61 12.149 5.165 -5.655 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.024 5.752 -7.068 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.866 6.164 -4.743 1.00 0.00 C ATOM 0 H VAL A 61 10.036 3.428 -6.510 1.00 0.00 H new ATOM 0 HA VAL A 61 10.816 4.862 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 61 12.727 4.242 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.017 5.975 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.532 5.030 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.435 6.668 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.849 6.391 -5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.280 7.081 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.980 5.732 -3.749 1.00 0.00 H new ATOM 841 N ALA A 62 10.074 7.129 -5.451 1.00 0.00 N ATOM 842 CA ALA A 62 9.130 8.197 -5.881 1.00 0.00 C ATOM 843 C ALA A 62 9.663 9.562 -5.418 1.00 0.00 C ATOM 844 O ALA A 62 9.835 9.781 -4.235 1.00 0.00 O ATOM 845 CB ALA A 62 7.760 7.946 -5.249 1.00 0.00 C ATOM 0 H ALA A 62 10.971 7.461 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 62 9.038 8.190 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.066 8.726 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.383 6.975 -5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.853 7.957 -4.163 1.00 0.00 H new ATOM 851 N PRO A 63 9.908 10.442 -6.360 1.00 0.00 N ATOM 852 CA PRO A 63 10.422 11.790 -6.052 1.00 0.00 C ATOM 853 C PRO A 63 9.427 12.545 -5.167 1.00 0.00 C ATOM 854 O PRO A 63 8.235 12.534 -5.406 1.00 0.00 O ATOM 855 CB PRO A 63 10.564 12.480 -7.416 1.00 0.00 C ATOM 856 CG PRO A 63 10.114 11.470 -8.504 1.00 0.00 C ATOM 857 CD PRO A 63 9.701 10.171 -7.794 1.00 0.00 C ATOM 0 HA PRO A 63 11.367 11.760 -5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.952 13.381 -7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.596 12.788 -7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.280 11.873 -9.079 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.924 11.280 -9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.661 9.920 -8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.306 9.328 -8.128 1.00 0.00 H new ATOM 865 N SER A 64 9.906 13.200 -4.146 1.00 0.00 N ATOM 866 CA SER A 64 8.989 13.954 -3.246 1.00 0.00 C ATOM 867 C SER A 64 8.683 15.323 -3.860 1.00 0.00 C ATOM 868 O SER A 64 9.598 16.124 -3.958 1.00 0.00 O ATOM 869 CB SER A 64 9.655 14.147 -1.882 1.00 0.00 C ATOM 870 OG SER A 64 10.267 15.428 -1.829 1.00 0.00 O ATOM 871 OXT SER A 64 7.539 15.545 -4.220 1.00 0.00 O ATOM 0 H SER A 64 10.894 13.246 -3.896 1.00 0.00 H new ATOM 0 HA SER A 64 8.062 13.394 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.915 14.053 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.400 13.369 -1.716 1.00 0.00 H new ATOM 0 HG SER A 64 10.641 15.649 -2.708 1.00 0.00 H new