USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 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 5 SER OG : rot 180:sc= -0.122 USER MOD Set 1.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0428 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0303 USER MOD Single : A 27 GLN : amide:sc= -0.577 K(o=-0.58,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.0537 F(o=-0.57,f=-0.054) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0385 K(o=-0.038,f=-1.1) USER MOD Single : A 47 HIS : +bothHN:sc= -12.3! C(o=-12!,f=-26!) USER MOD Single : A 48 HIS : no HD1:sc= -0.644 X(o=-0.64,f=-0.26) USER MOD Single : A 57 ASN :FLIP amide:sc= -2.9! C(o=-4.9!,f=-2.9!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.880 -12.796 11.982 1.00 0.00 N ATOM 2 CA GLY A 1 5.945 -13.406 11.055 1.00 0.00 C ATOM 3 C GLY A 1 6.621 -14.368 10.097 1.00 0.00 C ATOM 4 O GLY A 1 7.287 -13.947 9.152 1.00 0.00 O ATOM 0 H1 GLY A 1 6.369 -12.148 12.614 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.343 -13.537 12.546 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.599 -12.265 11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.176 -13.937 11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.441 -12.625 10.485 1.00 0.00 H new ATOM 8 N SER A 2 6.450 -15.663 10.343 1.00 0.00 N ATOM 9 CA SER A 2 7.054 -16.687 9.499 1.00 0.00 C ATOM 10 C SER A 2 6.274 -16.847 8.198 1.00 0.00 C ATOM 11 O SER A 2 6.803 -16.615 7.111 1.00 0.00 O ATOM 12 CB SER A 2 7.109 -18.023 10.242 1.00 0.00 C ATOM 13 OG SER A 2 7.483 -19.076 9.371 1.00 0.00 O ATOM 0 H SER A 2 5.898 -16.028 11.120 1.00 0.00 H new ATOM 0 HA SER A 2 8.069 -16.372 9.257 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.822 -17.956 11.064 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.135 -18.239 10.681 1.00 0.00 H new ATOM 0 HG SER A 2 7.513 -19.919 9.870 1.00 0.00 H new ATOM 19 N SER A 3 5.012 -17.247 8.317 1.00 0.00 N ATOM 20 CA SER A 3 4.158 -17.443 7.151 1.00 0.00 C ATOM 21 C SER A 3 3.249 -16.237 6.935 1.00 0.00 C ATOM 22 O SER A 3 3.175 -15.342 7.776 1.00 0.00 O ATOM 23 CB SER A 3 3.315 -18.709 7.316 1.00 0.00 C ATOM 24 OG SER A 3 2.871 -19.193 6.061 1.00 0.00 O ATOM 0 H SER A 3 4.558 -17.442 9.209 1.00 0.00 H new ATOM 0 HA SER A 3 4.799 -17.554 6.277 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.902 -19.478 7.819 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.456 -18.497 7.952 1.00 0.00 H new ATOM 0 HG SER A 3 2.336 -20.003 6.194 1.00 0.00 H new ATOM 30 N GLY A 4 2.556 -16.221 5.800 1.00 0.00 N ATOM 31 CA GLY A 4 1.661 -15.122 5.492 1.00 0.00 C ATOM 32 C GLY A 4 0.768 -15.417 4.303 1.00 0.00 C ATOM 33 O GLY A 4 0.786 -14.690 3.310 1.00 0.00 O ATOM 0 H GLY A 4 2.599 -16.950 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.042 -14.907 6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.247 -14.226 5.289 1.00 0.00 H new ATOM 37 N SER A 5 -0.014 -16.486 4.403 1.00 0.00 N ATOM 38 CA SER A 5 -0.914 -16.879 3.325 1.00 0.00 C ATOM 39 C SER A 5 -1.564 -15.655 2.687 1.00 0.00 C ATOM 40 O SER A 5 -1.598 -15.522 1.464 1.00 0.00 O ATOM 41 CB SER A 5 -1.993 -17.827 3.851 1.00 0.00 C ATOM 42 OG SER A 5 -2.834 -17.174 4.786 1.00 0.00 O ATOM 0 H SER A 5 -0.043 -17.096 5.220 1.00 0.00 H new ATOM 0 HA SER A 5 -0.327 -17.395 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.590 -18.201 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.524 -18.692 4.321 1.00 0.00 H new ATOM 0 HG SER A 5 -3.516 -17.801 5.106 1.00 0.00 H new ATOM 48 N SER A 6 -2.080 -14.762 3.526 1.00 0.00 N ATOM 49 CA SER A 6 -2.733 -13.550 3.046 1.00 0.00 C ATOM 50 C SER A 6 -1.794 -12.351 3.145 1.00 0.00 C ATOM 51 O SER A 6 -1.104 -12.170 4.146 1.00 0.00 O ATOM 52 CB SER A 6 -4.008 -13.281 3.847 1.00 0.00 C ATOM 53 OG SER A 6 -4.895 -14.383 3.780 1.00 0.00 O ATOM 0 H SER A 6 -2.058 -14.855 4.541 1.00 0.00 H new ATOM 0 HA SER A 6 -2.995 -13.699 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.752 -13.079 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.502 -12.389 3.462 1.00 0.00 H new ATOM 0 HG SER A 6 -5.701 -14.186 4.301 1.00 0.00 H new ATOM 59 N GLY A 7 -1.775 -11.534 2.096 1.00 0.00 N ATOM 60 CA GLY A 7 -0.918 -10.363 2.083 1.00 0.00 C ATOM 61 C GLY A 7 0.128 -10.422 0.987 1.00 0.00 C ATOM 62 O GLY A 7 1.325 -10.498 1.264 1.00 0.00 O ATOM 0 H GLY A 7 -2.338 -11.662 1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.529 -9.471 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.422 -10.268 3.049 1.00 0.00 H new ATOM 66 N LYS A 8 -0.323 -10.389 -0.262 1.00 0.00 N ATOM 67 CA LYS A 8 0.581 -10.439 -1.405 1.00 0.00 C ATOM 68 C LYS A 8 0.546 -9.129 -2.184 1.00 0.00 C ATOM 69 O LYS A 8 1.491 -8.795 -2.898 1.00 0.00 O ATOM 70 CB LYS A 8 0.208 -11.603 -2.325 1.00 0.00 C ATOM 71 CG LYS A 8 -1.249 -11.596 -2.755 1.00 0.00 C ATOM 72 CD LYS A 8 -2.111 -12.425 -1.818 1.00 0.00 C ATOM 73 CE LYS A 8 -3.571 -12.410 -2.244 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.842 -13.394 -3.329 1.00 0.00 N ATOM 0 H LYS A 8 -1.311 -10.328 -0.509 1.00 0.00 H new ATOM 0 HA LYS A 8 1.593 -10.590 -1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.840 -11.571 -3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.423 -12.542 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.618 -10.570 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.332 -11.987 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.747 -13.452 -1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.023 -12.038 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.203 -12.634 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.840 -11.410 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.848 -13.353 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.258 -13.165 -4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.610 -14.351 -2.995 1.00 0.00 H new ATOM 88 N ALA A 9 -0.550 -8.390 -2.042 1.00 0.00 N ATOM 89 CA ALA A 9 -0.706 -7.115 -2.730 1.00 0.00 C ATOM 90 C ALA A 9 -1.384 -6.085 -1.832 1.00 0.00 C ATOM 91 O ALA A 9 -2.135 -6.439 -0.924 1.00 0.00 O ATOM 92 CB ALA A 9 -1.500 -7.302 -4.015 1.00 0.00 C ATOM 0 H ALA A 9 -1.343 -8.653 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 9 0.287 -6.742 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.609 -6.341 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.974 -7.997 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.486 -7.701 -3.778 1.00 0.00 H new ATOM 98 N ALA A 10 -1.113 -4.810 -2.092 1.00 0.00 N ATOM 99 CA ALA A 10 -1.697 -3.730 -1.308 1.00 0.00 C ATOM 100 C ALA A 10 -2.155 -2.585 -2.205 1.00 0.00 C ATOM 101 O ALA A 10 -1.604 -2.373 -3.286 1.00 0.00 O ATOM 102 CB ALA A 10 -0.699 -3.227 -0.275 1.00 0.00 C ATOM 0 H ALA A 10 -0.492 -4.500 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.572 -4.123 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.149 -2.420 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.425 -4.043 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.193 -2.857 -0.781 1.00 0.00 H new ATOM 108 N ARG A 11 -3.166 -1.852 -1.752 1.00 0.00 N ATOM 109 CA ARG A 11 -3.699 -0.730 -2.515 1.00 0.00 C ATOM 110 C ARG A 11 -3.316 0.598 -1.869 1.00 0.00 C ATOM 111 O ARG A 11 -3.249 0.709 -0.644 1.00 0.00 O ATOM 112 CB ARG A 11 -5.221 -0.836 -2.624 1.00 0.00 C ATOM 113 CG ARG A 11 -5.821 0.072 -3.685 1.00 0.00 C ATOM 114 CD ARG A 11 -7.329 0.189 -3.530 1.00 0.00 C ATOM 115 NE ARG A 11 -7.704 1.278 -2.633 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.876 1.347 -2.011 1.00 0.00 C ATOM 117 NH1 ARG A 11 -9.781 0.395 -2.188 1.00 0.00 N ATOM 118 NH2 ARG A 11 -9.144 2.371 -1.210 1.00 0.00 N ATOM 0 H ARG A 11 -3.633 -2.015 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.267 -0.766 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.490 -1.868 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.664 -0.593 -1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.369 1.062 -3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.585 -0.318 -4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.782 0.352 -4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.728 -0.750 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.030 2.027 -2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.579 -0.393 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.680 0.451 -1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.450 3.106 -1.072 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.044 2.423 -0.733 1.00 0.00 H new ATOM 132 N LEU A 12 -3.066 1.604 -2.700 1.00 0.00 N ATOM 133 CA LEU A 12 -2.689 2.926 -2.210 1.00 0.00 C ATOM 134 C LEU A 12 -3.907 3.681 -1.688 1.00 0.00 C ATOM 135 O LEU A 12 -4.736 4.156 -2.465 1.00 0.00 O ATOM 136 CB LEU A 12 -2.014 3.730 -3.322 1.00 0.00 C ATOM 137 CG LEU A 12 -0.494 3.596 -3.420 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.173 4.177 -2.183 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.098 2.139 -3.608 1.00 0.00 C ATOM 0 H LEU A 12 -3.117 1.530 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.986 2.795 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.447 3.428 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.257 4.783 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.154 4.159 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.255 4.073 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.084 5.232 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.173 3.643 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.987 2.063 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.451 1.554 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.547 1.755 -4.524 1.00 0.00 H new ATOM 151 N LYS A 13 -4.009 3.789 -0.368 1.00 0.00 N ATOM 152 CA LYS A 13 -5.124 4.489 0.259 1.00 0.00 C ATOM 153 C LYS A 13 -5.371 5.834 -0.417 1.00 0.00 C ATOM 154 O LYS A 13 -6.500 6.325 -0.449 1.00 0.00 O ATOM 155 CB LYS A 13 -4.847 4.699 1.750 1.00 0.00 C ATOM 156 CG LYS A 13 -4.971 3.431 2.576 1.00 0.00 C ATOM 157 CD LYS A 13 -4.883 3.724 4.064 1.00 0.00 C ATOM 158 CE LYS A 13 -6.229 4.153 4.629 1.00 0.00 C ATOM 159 NZ LYS A 13 -6.291 3.979 6.107 1.00 0.00 N ATOM 0 H LYS A 13 -3.332 3.400 0.289 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.017 3.875 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.842 5.104 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.541 5.445 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.921 2.944 2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.182 2.734 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.533 2.836 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.147 4.509 4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.412 5.198 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.022 3.570 4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.224 4.282 6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.142 2.978 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.551 4.555 6.556 1.00 0.00 H new ATOM 173 N PHE A 14 -4.310 6.424 -0.958 1.00 0.00 N ATOM 174 CA PHE A 14 -4.413 7.712 -1.634 1.00 0.00 C ATOM 175 C PHE A 14 -3.230 7.928 -2.574 1.00 0.00 C ATOM 176 O PHE A 14 -2.230 7.213 -2.505 1.00 0.00 O ATOM 177 CB PHE A 14 -4.479 8.846 -0.609 1.00 0.00 C ATOM 178 CG PHE A 14 -5.585 8.684 0.393 1.00 0.00 C ATOM 179 CD1 PHE A 14 -6.891 9.009 0.062 1.00 0.00 C ATOM 180 CD2 PHE A 14 -5.320 8.207 1.667 1.00 0.00 C ATOM 181 CE1 PHE A 14 -7.911 8.862 0.983 1.00 0.00 C ATOM 182 CE2 PHE A 14 -6.336 8.057 2.592 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.633 8.384 2.249 1.00 0.00 C ATOM 0 H PHE A 14 -3.369 6.031 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.329 7.713 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.527 8.904 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.611 9.792 -1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.114 9.381 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.307 7.949 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.924 9.121 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.116 7.685 3.582 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.429 8.266 2.969 1.00 0.00 H new ATOM 193 N ASP A 15 -3.353 8.919 -3.450 1.00 0.00 N ATOM 194 CA ASP A 15 -2.295 9.231 -4.404 1.00 0.00 C ATOM 195 C ASP A 15 -1.023 9.665 -3.682 1.00 0.00 C ATOM 196 O ASP A 15 -0.986 10.720 -3.047 1.00 0.00 O ATOM 197 CB ASP A 15 -2.752 10.331 -5.363 1.00 0.00 C ATOM 198 CG ASP A 15 -3.583 11.394 -4.672 1.00 0.00 C ATOM 199 OD1 ASP A 15 -4.786 11.149 -4.442 1.00 0.00 O ATOM 200 OD2 ASP A 15 -3.031 12.470 -4.361 1.00 0.00 O ATOM 0 H ASP A 15 -4.174 9.520 -3.519 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.077 8.329 -4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.879 10.797 -5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.334 9.886 -6.170 1.00 0.00 H new ATOM 205 N PHE A 16 0.018 8.845 -3.782 1.00 0.00 N ATOM 206 CA PHE A 16 1.291 9.143 -3.137 1.00 0.00 C ATOM 207 C PHE A 16 2.215 9.905 -4.083 1.00 0.00 C ATOM 208 O PHE A 16 2.403 9.510 -5.234 1.00 0.00 O ATOM 209 CB PHE A 16 1.968 7.851 -2.675 1.00 0.00 C ATOM 210 CG PHE A 16 3.347 8.062 -2.119 1.00 0.00 C ATOM 211 CD1 PHE A 16 4.404 8.382 -2.955 1.00 0.00 C ATOM 212 CD2 PHE A 16 3.586 7.941 -0.760 1.00 0.00 C ATOM 213 CE1 PHE A 16 5.675 8.577 -2.447 1.00 0.00 C ATOM 214 CE2 PHE A 16 4.854 8.136 -0.245 1.00 0.00 C ATOM 215 CZ PHE A 16 5.900 8.453 -1.090 1.00 0.00 C ATOM 0 H PHE A 16 0.005 7.969 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 16 1.091 9.771 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.347 7.377 -1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.026 7.160 -3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.233 8.480 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.772 7.691 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.490 8.826 -3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.027 8.041 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.892 8.604 -0.690 1.00 0.00 H new ATOM 225 N GLN A 17 2.788 10.997 -3.589 1.00 0.00 N ATOM 226 CA GLN A 17 3.691 11.815 -4.391 1.00 0.00 C ATOM 227 C GLN A 17 5.112 11.755 -3.841 1.00 0.00 C ATOM 228 O GLN A 17 5.393 12.273 -2.761 1.00 0.00 O ATOM 229 CB GLN A 17 3.206 13.265 -4.425 1.00 0.00 C ATOM 230 CG GLN A 17 1.908 13.454 -5.195 1.00 0.00 C ATOM 231 CD GLN A 17 1.318 14.838 -5.012 1.00 0.00 C ATOM 232 OE1 GLN A 17 1.157 15.314 -3.887 1.00 0.00 O ATOM 233 NE2 GLN A 17 0.992 15.494 -6.120 1.00 0.00 N ATOM 0 H GLN A 17 2.644 11.336 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 17 3.696 11.417 -5.406 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.067 13.617 -3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.979 13.888 -4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.090 13.278 -6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.184 12.708 -4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.143 15.062 -7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.591 16.430 -6.059 1.00 0.00 H new ATOM 242 N ALA A 18 6.006 11.119 -4.592 1.00 0.00 N ATOM 243 CA ALA A 18 7.398 10.993 -4.180 1.00 0.00 C ATOM 244 C ALA A 18 8.118 12.334 -4.261 1.00 0.00 C ATOM 245 O ALA A 18 8.192 12.946 -5.326 1.00 0.00 O ATOM 246 CB ALA A 18 8.111 9.957 -5.038 1.00 0.00 C ATOM 0 H ALA A 18 5.790 10.683 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 18 7.415 10.663 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.150 9.873 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.618 8.991 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.076 10.264 -6.083 1.00 0.00 H new ATOM 252 N GLN A 19 8.648 12.786 -3.128 1.00 0.00 N ATOM 253 CA GLN A 19 9.361 14.056 -3.072 1.00 0.00 C ATOM 254 C GLN A 19 10.833 13.871 -3.425 1.00 0.00 C ATOM 255 O GLN A 19 11.441 14.730 -4.063 1.00 0.00 O ATOM 256 CB GLN A 19 9.232 14.676 -1.679 1.00 0.00 C ATOM 257 CG GLN A 19 9.336 16.193 -1.676 1.00 0.00 C ATOM 258 CD GLN A 19 9.403 16.770 -0.276 1.00 0.00 C ATOM 259 OE1 GLN A 19 8.695 16.324 0.627 1.00 0.00 O ATOM 260 NE2 GLN A 19 10.258 17.769 -0.088 1.00 0.00 N ATOM 0 H GLN A 19 8.597 12.291 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 19 8.913 14.728 -3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.274 14.385 -1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.009 14.266 -1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.224 16.494 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.476 16.613 -2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.826 18.107 -0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.347 18.198 0.833 1.00 0.00 H new ATOM 269 N SER A 20 11.399 12.744 -3.006 1.00 0.00 N ATOM 270 CA SER A 20 12.801 12.447 -3.275 1.00 0.00 C ATOM 271 C SER A 20 12.947 11.615 -4.545 1.00 0.00 C ATOM 272 O SER A 20 12.047 10.871 -4.937 1.00 0.00 O ATOM 273 CB SER A 20 13.423 11.704 -2.091 1.00 0.00 C ATOM 274 OG SER A 20 12.822 10.434 -1.913 1.00 0.00 O ATOM 0 H SER A 20 10.908 12.022 -2.479 1.00 0.00 H new ATOM 0 HA SER A 20 13.325 13.392 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.494 11.583 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.305 12.296 -1.183 1.00 0.00 H new ATOM 0 HG SER A 20 13.238 9.979 -1.151 1.00 0.00 H new ATOM 280 N PRO A 21 14.107 11.742 -5.205 1.00 0.00 N ATOM 281 CA PRO A 21 14.400 11.010 -6.441 1.00 0.00 C ATOM 282 C PRO A 21 14.589 9.516 -6.198 1.00 0.00 C ATOM 283 O PRO A 21 14.793 8.745 -7.136 1.00 0.00 O ATOM 284 CB PRO A 21 15.706 11.642 -6.927 1.00 0.00 C ATOM 285 CG PRO A 21 16.349 12.179 -5.695 1.00 0.00 C ATOM 286 CD PRO A 21 15.224 12.611 -4.796 1.00 0.00 C ATOM 0 HA PRO A 21 13.584 11.080 -7.160 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.343 10.906 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.517 12.434 -7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.964 11.419 -5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.004 13.017 -5.931 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.475 12.474 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.983 13.665 -4.932 1.00 0.00 H new ATOM 294 N LYS A 22 14.520 9.113 -4.934 1.00 0.00 N ATOM 295 CA LYS A 22 14.681 7.711 -4.567 1.00 0.00 C ATOM 296 C LYS A 22 13.335 7.077 -4.235 1.00 0.00 C ATOM 297 O LYS A 22 13.221 5.855 -4.141 1.00 0.00 O ATOM 298 CB LYS A 22 15.627 7.581 -3.371 1.00 0.00 C ATOM 299 CG LYS A 22 15.455 6.286 -2.597 1.00 0.00 C ATOM 300 CD LYS A 22 16.354 6.244 -1.373 1.00 0.00 C ATOM 301 CE LYS A 22 16.228 4.921 -0.634 1.00 0.00 C ATOM 302 NZ LYS A 22 17.164 3.895 -1.170 1.00 0.00 N ATOM 0 H LYS A 22 14.353 9.738 -4.146 1.00 0.00 H new ATOM 0 HA LYS A 22 15.109 7.185 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.656 7.650 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.464 8.422 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.415 6.181 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.683 5.440 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.390 6.395 -1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.095 7.063 -0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.428 5.077 0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.204 4.556 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.047 3.008 -0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.957 3.727 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.143 4.232 -1.070 1.00 0.00 H new ATOM 316 N GLU A 23 12.318 7.915 -4.059 1.00 0.00 N ATOM 317 CA GLU A 23 10.979 7.435 -3.738 1.00 0.00 C ATOM 318 C GLU A 23 10.200 7.105 -5.008 1.00 0.00 C ATOM 319 O GLU A 23 10.665 7.362 -6.119 1.00 0.00 O ATOM 320 CB GLU A 23 10.221 8.481 -2.919 1.00 0.00 C ATOM 321 CG GLU A 23 10.405 8.331 -1.418 1.00 0.00 C ATOM 322 CD GLU A 23 9.570 9.317 -0.625 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.626 9.894 -1.205 1.00 0.00 O ATOM 324 OE2 GLU A 23 9.860 9.512 0.573 1.00 0.00 O ATOM 0 H GLU A 23 12.396 8.929 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 23 11.079 6.524 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.552 9.475 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.159 8.414 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.139 7.316 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.457 8.470 -1.169 1.00 0.00 H new ATOM 331 N LEU A 24 9.014 6.533 -4.835 1.00 0.00 N ATOM 332 CA LEU A 24 8.169 6.167 -5.966 1.00 0.00 C ATOM 333 C LEU A 24 6.841 6.916 -5.920 1.00 0.00 C ATOM 334 O LEU A 24 6.318 7.210 -4.845 1.00 0.00 O ATOM 335 CB LEU A 24 7.916 4.658 -5.972 1.00 0.00 C ATOM 336 CG LEU A 24 8.924 3.811 -6.750 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.851 2.357 -6.311 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.679 3.931 -8.247 1.00 0.00 C ATOM 0 H LEU A 24 8.616 6.313 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 24 8.690 6.446 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.899 4.309 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.924 4.478 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 24 9.925 4.184 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.575 1.770 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.077 2.286 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.848 1.971 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.406 3.322 -8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.672 3.585 -8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.784 4.973 -8.550 1.00 0.00 H new ATOM 350 N THR A 25 6.298 7.221 -7.095 1.00 0.00 N ATOM 351 CA THR A 25 5.031 7.935 -7.189 1.00 0.00 C ATOM 352 C THR A 25 3.915 7.013 -7.666 1.00 0.00 C ATOM 353 O THR A 25 4.048 6.336 -8.686 1.00 0.00 O ATOM 354 CB THR A 25 5.133 9.137 -8.146 1.00 0.00 C ATOM 355 OG1 THR A 25 6.204 9.997 -7.741 1.00 0.00 O ATOM 356 CG2 THR A 25 3.829 9.920 -8.173 1.00 0.00 C ATOM 0 H THR A 25 6.716 6.984 -7.995 1.00 0.00 H new ATOM 0 HA THR A 25 4.797 8.297 -6.188 1.00 0.00 H new ATOM 0 HB THR A 25 5.332 8.759 -9.149 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.263 10.758 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.926 10.764 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.022 9.270 -8.511 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.604 10.287 -7.172 1.00 0.00 H new ATOM 364 N LEU A 26 2.814 6.992 -6.923 1.00 0.00 N ATOM 365 CA LEU A 26 1.672 6.152 -7.271 1.00 0.00 C ATOM 366 C LEU A 26 0.368 6.936 -7.166 1.00 0.00 C ATOM 367 O LEU A 26 0.354 8.075 -6.700 1.00 0.00 O ATOM 368 CB LEU A 26 1.619 4.926 -6.358 1.00 0.00 C ATOM 369 CG LEU A 26 2.926 4.149 -6.199 1.00 0.00 C ATOM 370 CD1 LEU A 26 2.882 3.277 -4.954 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.197 3.304 -7.435 1.00 0.00 C ATOM 0 H LEU A 26 2.687 7.546 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 26 1.794 5.823 -8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.289 5.248 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.859 4.245 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 26 3.740 4.865 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.821 2.732 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.735 3.905 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.058 2.568 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.131 2.758 -7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.380 2.597 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.274 3.951 -8.309 1.00 0.00 H new ATOM 383 N GLN A 27 -0.725 6.317 -7.600 1.00 0.00 N ATOM 384 CA GLN A 27 -2.034 6.957 -7.553 1.00 0.00 C ATOM 385 C GLN A 27 -2.987 6.182 -6.649 1.00 0.00 C ATOM 386 O GLN A 27 -2.759 5.010 -6.348 1.00 0.00 O ATOM 387 CB GLN A 27 -2.623 7.066 -8.961 1.00 0.00 C ATOM 388 CG GLN A 27 -1.881 8.045 -9.857 1.00 0.00 C ATOM 389 CD GLN A 27 -2.053 9.485 -9.416 1.00 0.00 C ATOM 390 OE1 GLN A 27 -1.556 9.888 -8.363 1.00 0.00 O ATOM 391 NE2 GLN A 27 -2.760 10.270 -10.220 1.00 0.00 N ATOM 0 H GLN A 27 -0.730 5.374 -7.988 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.906 7.958 -7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.613 6.081 -9.427 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.666 7.373 -8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.820 7.795 -9.862 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.239 7.937 -10.881 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.154 9.894 -11.083 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.910 11.249 -9.975 1.00 0.00 H new ATOM 400 N LYS A 28 -4.056 6.844 -6.219 1.00 0.00 N ATOM 401 CA LYS A 28 -5.045 6.218 -5.349 1.00 0.00 C ATOM 402 C LYS A 28 -5.698 5.024 -6.039 1.00 0.00 C ATOM 403 O LYS A 28 -6.328 5.169 -7.086 1.00 0.00 O ATOM 404 CB LYS A 28 -6.114 7.234 -4.944 1.00 0.00 C ATOM 405 CG LYS A 28 -7.136 6.685 -3.964 1.00 0.00 C ATOM 406 CD LYS A 28 -8.221 7.704 -3.659 1.00 0.00 C ATOM 407 CE LYS A 28 -9.511 7.029 -3.220 1.00 0.00 C ATOM 408 NZ LYS A 28 -10.639 7.997 -3.125 1.00 0.00 N ATOM 0 H LYS A 28 -4.260 7.814 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.533 5.863 -4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.628 8.103 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.631 7.581 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.588 5.783 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.636 6.397 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.878 8.379 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.410 8.312 -4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.768 6.241 -3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.360 6.551 -2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.500 7.498 -2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.405 8.735 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.800 8.434 -4.055 1.00 0.00 H new ATOM 422 N GLY A 29 -5.544 3.845 -5.444 1.00 0.00 N ATOM 423 CA GLY A 29 -6.126 2.645 -6.016 1.00 0.00 C ATOM 424 C GLY A 29 -5.190 1.952 -6.986 1.00 0.00 C ATOM 425 O GLY A 29 -5.549 1.707 -8.138 1.00 0.00 O ATOM 0 H GLY A 29 -5.027 3.700 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.389 1.955 -5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.051 2.904 -6.531 1.00 0.00 H new ATOM 429 N ASP A 30 -3.986 1.636 -6.521 1.00 0.00 N ATOM 430 CA ASP A 30 -2.995 0.968 -7.356 1.00 0.00 C ATOM 431 C ASP A 30 -2.410 -0.245 -6.639 1.00 0.00 C ATOM 432 O ASP A 30 -2.131 -0.195 -5.441 1.00 0.00 O ATOM 433 CB ASP A 30 -1.877 1.941 -7.735 1.00 0.00 C ATOM 434 CG ASP A 30 -2.370 3.076 -8.611 1.00 0.00 C ATOM 435 OD1 ASP A 30 -3.588 3.351 -8.596 1.00 0.00 O ATOM 436 OD2 ASP A 30 -1.538 3.689 -9.312 1.00 0.00 O ATOM 0 H ASP A 30 -3.673 1.832 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.491 0.626 -8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.434 2.352 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.089 1.399 -8.257 1.00 0.00 H new ATOM 441 N ILE A 31 -2.228 -1.333 -7.380 1.00 0.00 N ATOM 442 CA ILE A 31 -1.676 -2.557 -6.815 1.00 0.00 C ATOM 443 C ILE A 31 -0.168 -2.630 -7.027 1.00 0.00 C ATOM 444 O ILE A 31 0.331 -2.348 -8.117 1.00 0.00 O ATOM 445 CB ILE A 31 -2.331 -3.807 -7.432 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.851 -3.745 -7.272 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.776 -5.069 -6.788 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.304 -3.667 -5.831 1.00 0.00 C ATOM 0 H ILE A 31 -2.455 -1.391 -8.373 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.889 -2.535 -5.746 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.097 -3.833 -8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.230 -2.877 -7.811 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.293 -4.626 -7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.249 -5.944 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.699 -5.116 -6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.982 -5.052 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.393 -3.626 -5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.955 -4.548 -5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.891 -2.771 -5.368 1.00 0.00 H new ATOM 460 N VAL A 32 0.555 -3.012 -5.978 1.00 0.00 N ATOM 461 CA VAL A 32 2.007 -3.125 -6.050 1.00 0.00 C ATOM 462 C VAL A 32 2.491 -4.409 -5.387 1.00 0.00 C ATOM 463 O VAL A 32 1.710 -5.135 -4.772 1.00 0.00 O ATOM 464 CB VAL A 32 2.697 -1.922 -5.380 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.371 -0.636 -6.124 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.288 -1.820 -3.918 1.00 0.00 C ATOM 0 H VAL A 32 0.158 -3.248 -5.068 1.00 0.00 H new ATOM 0 HA VAL A 32 2.272 -3.143 -7.107 1.00 0.00 H new ATOM 0 HB VAL A 32 3.775 -2.074 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.867 0.203 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.719 -0.714 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.293 -0.474 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.785 -0.965 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.208 -1.691 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.578 -2.731 -3.395 1.00 0.00 H new ATOM 476 N TYR A 33 3.784 -4.684 -5.517 1.00 0.00 N ATOM 477 CA TYR A 33 4.374 -5.882 -4.932 1.00 0.00 C ATOM 478 C TYR A 33 5.438 -5.518 -3.901 1.00 0.00 C ATOM 479 O TYR A 33 6.209 -4.578 -4.095 1.00 0.00 O ATOM 480 CB TYR A 33 4.986 -6.760 -6.025 1.00 0.00 C ATOM 481 CG TYR A 33 3.958 -7.479 -6.870 1.00 0.00 C ATOM 482 CD1 TYR A 33 2.940 -6.780 -7.506 1.00 0.00 C ATOM 483 CD2 TYR A 33 4.007 -8.858 -7.034 1.00 0.00 C ATOM 484 CE1 TYR A 33 1.999 -7.433 -8.278 1.00 0.00 C ATOM 485 CE2 TYR A 33 3.071 -9.519 -7.805 1.00 0.00 C ATOM 486 CZ TYR A 33 2.069 -8.802 -8.425 1.00 0.00 C ATOM 487 OH TYR A 33 1.134 -9.456 -9.195 1.00 0.00 O ATOM 0 H TYR A 33 4.444 -4.093 -6.023 1.00 0.00 H new ATOM 0 HA TYR A 33 3.582 -6.438 -4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.607 -6.140 -6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.643 -7.496 -5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.883 -5.707 -7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.790 -9.423 -6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.213 -6.874 -8.764 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.123 -10.591 -7.922 1.00 0.00 H new ATOM 0 HH TYR A 33 1.326 -10.417 -9.197 1.00 0.00 H new ATOM 497 N ILE A 34 5.473 -6.271 -2.806 1.00 0.00 N ATOM 498 CA ILE A 34 6.443 -6.029 -1.745 1.00 0.00 C ATOM 499 C ILE A 34 7.569 -7.057 -1.786 1.00 0.00 C ATOM 500 O ILE A 34 7.366 -8.230 -1.472 1.00 0.00 O ATOM 501 CB ILE A 34 5.779 -6.067 -0.356 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.663 -5.024 -0.272 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.815 -5.831 0.733 1.00 0.00 C ATOM 504 CD1 ILE A 34 4.997 -3.723 -0.968 1.00 0.00 C ATOM 0 H ILE A 34 4.842 -7.053 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 34 6.855 -5.034 -1.914 1.00 0.00 H new ATOM 0 HB ILE A 34 5.341 -7.054 -0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.756 -5.439 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.446 -4.820 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.330 -5.861 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.579 -6.607 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.279 -4.856 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.160 -3.031 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.886 -3.285 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.185 -3.914 -2.025 1.00 0.00 H new ATOM 516 N HIS A 35 8.759 -6.608 -2.174 1.00 0.00 N ATOM 517 CA HIS A 35 9.919 -7.488 -2.254 1.00 0.00 C ATOM 518 C HIS A 35 10.573 -7.649 -0.885 1.00 0.00 C ATOM 519 O HIS A 35 10.773 -8.767 -0.408 1.00 0.00 O ATOM 520 CB HIS A 35 10.935 -6.938 -3.255 1.00 0.00 C ATOM 521 CG HIS A 35 12.010 -7.916 -3.616 1.00 0.00 C ATOM 522 ND1 HIS A 35 12.883 -8.599 -2.839 1.00 0.00 N flip ATOM 523 CD2 HIS A 35 12.284 -8.288 -4.915 1.00 0.00 C flip ATOM 524 CE1 HIS A 35 13.660 -9.364 -3.674 1.00 0.00 C flip ATOM 525 NE2 HIS A 35 13.278 -9.158 -4.921 1.00 0.00 N flip ATOM 0 H HIS A 35 8.945 -5.640 -2.438 1.00 0.00 H new ATOM 0 HA HIS A 35 9.579 -8.467 -2.593 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.412 -6.635 -4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.395 -6.042 -2.838 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.767 -7.925 -5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.454 -10.026 -3.362 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.682 -9.596 -5.749 1.00 0.00 H new ATOM 533 N LYS A 36 10.905 -6.527 -0.257 1.00 0.00 N ATOM 534 CA LYS A 36 11.537 -6.542 1.058 1.00 0.00 C ATOM 535 C LYS A 36 11.178 -5.288 1.848 1.00 0.00 C ATOM 536 O LYS A 36 10.940 -4.227 1.272 1.00 0.00 O ATOM 537 CB LYS A 36 13.056 -6.651 0.915 1.00 0.00 C ATOM 538 CG LYS A 36 13.720 -5.357 0.476 1.00 0.00 C ATOM 539 CD LYS A 36 15.214 -5.374 0.757 1.00 0.00 C ATOM 540 CE LYS A 36 15.756 -3.969 0.972 1.00 0.00 C ATOM 541 NZ LYS A 36 16.969 -3.969 1.835 1.00 0.00 N ATOM 0 H LYS A 36 10.747 -5.594 -0.637 1.00 0.00 H new ATOM 0 HA LYS A 36 11.167 -7.411 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.481 -6.962 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.289 -7.433 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.551 -5.203 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.260 -4.516 0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.412 -5.981 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.737 -5.843 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.996 -3.521 0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.985 -3.348 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.308 -2.993 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.734 -4.373 2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.714 -4.540 1.387 1.00 0.00 H new ATOM 555 N GLU A 37 11.143 -5.418 3.171 1.00 0.00 N ATOM 556 CA GLU A 37 10.814 -4.294 4.039 1.00 0.00 C ATOM 557 C GLU A 37 12.054 -3.456 4.339 1.00 0.00 C ATOM 558 O GLU A 37 13.058 -3.969 4.836 1.00 0.00 O ATOM 559 CB GLU A 37 10.195 -4.794 5.346 1.00 0.00 C ATOM 560 CG GLU A 37 8.932 -5.614 5.146 1.00 0.00 C ATOM 561 CD GLU A 37 8.080 -5.688 6.399 1.00 0.00 C ATOM 562 OE1 GLU A 37 7.277 -4.759 6.625 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.217 -6.674 7.153 1.00 0.00 O ATOM 0 H GLU A 37 11.338 -6.289 3.664 1.00 0.00 H new ATOM 0 HA GLU A 37 10.090 -3.667 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.930 -5.398 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.966 -3.938 5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.345 -5.179 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.204 -6.623 4.836 1.00 0.00 H new ATOM 570 N VAL A 38 11.978 -2.165 4.033 1.00 0.00 N ATOM 571 CA VAL A 38 13.093 -1.256 4.269 1.00 0.00 C ATOM 572 C VAL A 38 13.241 -0.942 5.754 1.00 0.00 C ATOM 573 O VAL A 38 14.247 -1.287 6.374 1.00 0.00 O ATOM 574 CB VAL A 38 12.917 0.062 3.492 1.00 0.00 C ATOM 575 CG1 VAL A 38 14.057 1.020 3.800 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.826 -0.209 1.998 1.00 0.00 C ATOM 0 H VAL A 38 11.155 -1.725 3.621 1.00 0.00 H new ATOM 0 HA VAL A 38 13.993 -1.760 3.916 1.00 0.00 H new ATOM 0 HB VAL A 38 11.986 0.530 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.915 1.946 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.070 1.239 4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.004 0.564 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.702 0.733 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.739 -0.699 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.972 -0.855 1.797 1.00 0.00 H new ATOM 586 N ASP A 39 12.233 -0.287 6.317 1.00 0.00 N ATOM 587 CA ASP A 39 12.249 0.073 7.731 1.00 0.00 C ATOM 588 C ASP A 39 11.014 -0.469 8.444 1.00 0.00 C ATOM 589 O ASP A 39 10.083 -0.964 7.807 1.00 0.00 O ATOM 590 CB ASP A 39 12.321 1.592 7.892 1.00 0.00 C ATOM 591 CG ASP A 39 12.995 2.006 9.185 1.00 0.00 C ATOM 592 OD1 ASP A 39 12.287 2.144 10.205 1.00 0.00 O ATOM 593 OD2 ASP A 39 14.229 2.191 9.178 1.00 0.00 O ATOM 0 H ASP A 39 11.394 0.006 5.817 1.00 0.00 H new ATOM 0 HA ASP A 39 13.133 -0.375 8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.865 2.018 7.049 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.313 2.006 7.863 1.00 0.00 H new ATOM 598 N LYS A 40 11.012 -0.372 9.769 1.00 0.00 N ATOM 599 CA LYS A 40 9.892 -0.852 10.570 1.00 0.00 C ATOM 600 C LYS A 40 8.566 -0.355 10.003 1.00 0.00 C ATOM 601 O LYS A 40 7.532 -1.002 10.161 1.00 0.00 O ATOM 602 CB LYS A 40 10.043 -0.392 12.021 1.00 0.00 C ATOM 603 CG LYS A 40 8.938 -0.893 12.936 1.00 0.00 C ATOM 604 CD LYS A 40 9.264 -2.264 13.503 1.00 0.00 C ATOM 605 CE LYS A 40 8.081 -2.849 14.261 1.00 0.00 C ATOM 606 NZ LYS A 40 7.176 -3.620 13.365 1.00 0.00 N ATOM 0 H LYS A 40 11.774 0.035 10.311 1.00 0.00 H new ATOM 0 HA LYS A 40 9.895 -1.942 10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.004 -0.735 12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.060 0.698 12.048 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.792 -0.186 13.752 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.000 -0.940 12.383 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.547 -2.936 12.693 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.123 -2.189 14.169 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.445 -3.499 15.057 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.521 -2.044 14.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.383 -4.002 13.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.809 -2.994 12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.704 -4.403 12.929 1.00 0.00 H new ATOM 620 N ASN A 41 8.605 0.797 9.341 1.00 0.00 N ATOM 621 CA ASN A 41 7.406 1.380 8.750 1.00 0.00 C ATOM 622 C ASN A 41 7.545 1.491 7.235 1.00 0.00 C ATOM 623 O ASN A 41 6.582 1.285 6.496 1.00 0.00 O ATOM 624 CB ASN A 41 7.135 2.761 9.351 1.00 0.00 C ATOM 625 CG ASN A 41 6.251 2.692 10.582 1.00 0.00 C ATOM 626 OD1 ASN A 41 6.084 1.630 11.181 1.00 0.00 O ATOM 627 ND2 ASN A 41 5.680 3.829 10.963 1.00 0.00 N ATOM 0 H ASN A 41 9.454 1.345 9.200 1.00 0.00 H new ATOM 0 HA ASN A 41 6.565 0.723 8.973 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.082 3.233 9.613 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.660 3.394 8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.074 3.846 11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.847 4.686 10.435 1.00 0.00 H new ATOM 634 N TRP A 42 8.749 1.816 6.780 1.00 0.00 N ATOM 635 CA TRP A 42 9.015 1.954 5.352 1.00 0.00 C ATOM 636 C TRP A 42 9.149 0.588 4.689 1.00 0.00 C ATOM 637 O TRP A 42 9.726 -0.338 5.262 1.00 0.00 O ATOM 638 CB TRP A 42 10.288 2.772 5.126 1.00 0.00 C ATOM 639 CG TRP A 42 10.126 4.226 5.452 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.385 4.831 6.649 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.667 5.256 4.570 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.114 6.175 6.564 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.673 6.461 5.299 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.253 5.278 3.236 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.280 7.673 4.736 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.863 6.481 2.679 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.880 7.665 3.428 1.00 0.00 C ATOM 0 H TRP A 42 9.557 1.989 7.378 1.00 0.00 H new ATOM 0 HA TRP A 42 8.172 2.475 4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 42 11.091 2.358 5.736 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.595 2.673 4.085 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.749 4.327 7.532 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.223 6.851 7.320 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.238 4.371 2.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.291 8.587 5.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.540 6.509 1.649 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.571 8.590 2.963 1.00 0.00 H new ATOM 658 N LEU A 43 8.614 0.467 3.479 1.00 0.00 N ATOM 659 CA LEU A 43 8.674 -0.788 2.738 1.00 0.00 C ATOM 660 C LEU A 43 9.254 -0.569 1.344 1.00 0.00 C ATOM 661 O LEU A 43 9.220 0.541 0.815 1.00 0.00 O ATOM 662 CB LEU A 43 7.280 -1.407 2.631 1.00 0.00 C ATOM 663 CG LEU A 43 6.522 -1.587 3.947 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.101 -2.061 3.684 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.254 -2.566 4.853 1.00 0.00 C ATOM 0 H LEU A 43 8.134 1.223 2.990 1.00 0.00 H new ATOM 0 HA LEU A 43 9.327 -1.471 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.677 -0.784 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.373 -2.382 2.152 1.00 0.00 H new ATOM 0 HG LEU A 43 6.473 -0.622 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.577 -2.184 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.579 -1.324 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.127 -3.015 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.701 -2.682 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.334 -3.532 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.252 -2.185 5.069 1.00 0.00 H new ATOM 677 N GLU A 44 9.785 -1.636 0.755 1.00 0.00 N ATOM 678 CA GLU A 44 10.371 -1.560 -0.578 1.00 0.00 C ATOM 679 C GLU A 44 9.528 -2.333 -1.588 1.00 0.00 C ATOM 680 O GLU A 44 8.742 -3.205 -1.219 1.00 0.00 O ATOM 681 CB GLU A 44 11.799 -2.109 -0.563 1.00 0.00 C ATOM 682 CG GLU A 44 12.710 -1.463 -1.594 1.00 0.00 C ATOM 683 CD GLU A 44 13.794 -2.402 -2.085 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.256 -3.244 -1.285 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.181 -2.296 -3.267 1.00 0.00 O ATOM 0 H GLU A 44 9.821 -2.563 1.180 1.00 0.00 H new ATOM 0 HA GLU A 44 10.395 -0.512 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.225 -1.962 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.768 -3.184 -0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.113 -1.129 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.172 -0.576 -1.160 1.00 0.00 H new ATOM 692 N GLY A 45 9.698 -2.006 -2.865 1.00 0.00 N ATOM 693 CA GLY A 45 8.946 -2.678 -3.909 1.00 0.00 C ATOM 694 C GLY A 45 9.041 -1.964 -5.243 1.00 0.00 C ATOM 695 O GLY A 45 9.434 -0.800 -5.304 1.00 0.00 O ATOM 0 H GLY A 45 10.343 -1.288 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.315 -3.698 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.900 -2.748 -3.611 1.00 0.00 H new ATOM 699 N GLU A 46 8.681 -2.664 -6.314 1.00 0.00 N ATOM 700 CA GLU A 46 8.731 -2.090 -7.654 1.00 0.00 C ATOM 701 C GLU A 46 7.325 -1.825 -8.184 1.00 0.00 C ATOM 702 O GLU A 46 6.396 -2.590 -7.923 1.00 0.00 O ATOM 703 CB GLU A 46 9.480 -3.024 -8.606 1.00 0.00 C ATOM 704 CG GLU A 46 8.693 -4.268 -8.982 1.00 0.00 C ATOM 705 CD GLU A 46 8.850 -5.385 -7.969 1.00 0.00 C ATOM 706 OE1 GLU A 46 9.975 -5.568 -7.458 1.00 0.00 O ATOM 707 OE2 GLU A 46 7.849 -6.076 -7.687 1.00 0.00 O ATOM 0 H GLU A 46 8.352 -3.629 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 46 9.264 -1.141 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.734 -2.477 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.419 -3.325 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.638 -4.012 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.022 -4.620 -9.960 1.00 0.00 H new ATOM 714 N HIS A 47 7.175 -0.735 -8.930 1.00 0.00 N ATOM 715 CA HIS A 47 5.883 -0.368 -9.498 1.00 0.00 C ATOM 716 C HIS A 47 6.037 0.097 -10.943 1.00 0.00 C ATOM 717 O HIS A 47 6.532 1.195 -11.203 1.00 0.00 O ATOM 718 CB HIS A 47 5.229 0.733 -8.662 1.00 0.00 C ATOM 719 CG HIS A 47 5.409 0.551 -7.187 1.00 0.00 C ATOM 720 ND1 HIS A 47 5.375 -0.682 -6.570 1.00 0.00 N ATOM 721 CD2 HIS A 47 5.627 1.455 -6.204 1.00 0.00 C ATOM 722 CE1 HIS A 47 5.563 -0.528 -5.272 1.00 0.00 C ATOM 723 NE2 HIS A 47 5.719 0.759 -5.023 1.00 0.00 N ATOM 0 H HIS A 47 7.933 -0.090 -9.155 1.00 0.00 H new ATOM 0 HA HIS A 47 5.244 -1.251 -9.486 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.646 1.696 -8.955 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.163 0.765 -8.888 1.00 0.00 H new ATOM 0 HD1 HIS A 47 5.228 -1.574 -7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 47 5.713 2.525 -6.325 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.585 -1.320 -4.539 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.881 1.170 -4.104 1.00 0.00 H new ATOM 731 N HIS A 48 5.610 -0.744 -11.879 1.00 0.00 N ATOM 732 CA HIS A 48 5.701 -0.419 -13.298 1.00 0.00 C ATOM 733 C HIS A 48 7.157 -0.369 -13.753 1.00 0.00 C ATOM 734 O HIS A 48 7.544 0.498 -14.534 1.00 0.00 O ATOM 735 CB HIS A 48 5.021 0.921 -13.580 1.00 0.00 C ATOM 736 CG HIS A 48 3.694 1.074 -12.903 1.00 0.00 C ATOM 737 ND1 HIS A 48 3.096 2.297 -12.685 1.00 0.00 N ATOM 738 CD2 HIS A 48 2.847 0.147 -12.396 1.00 0.00 C ATOM 739 CE1 HIS A 48 1.940 2.117 -12.072 1.00 0.00 C ATOM 740 NE2 HIS A 48 1.765 0.821 -11.885 1.00 0.00 N ATOM 0 H HIS A 48 5.198 -1.656 -11.681 1.00 0.00 H new ATOM 0 HA HIS A 48 5.191 -1.203 -13.858 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.679 1.728 -13.258 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.885 1.031 -14.656 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.995 -0.923 -12.394 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.254 2.897 -11.774 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.957 0.391 -11.434 1.00 0.00 H new ATOM 748 N GLY A 49 7.959 -1.306 -13.256 1.00 0.00 N ATOM 749 CA GLY A 49 9.363 -1.351 -13.621 1.00 0.00 C ATOM 750 C GLY A 49 10.219 -0.462 -12.741 1.00 0.00 C ATOM 751 O GLY A 49 11.340 -0.826 -12.385 1.00 0.00 O ATOM 0 H GLY A 49 7.661 -2.035 -12.607 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.721 -2.378 -13.552 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.475 -1.044 -14.661 1.00 0.00 H new ATOM 755 N ARG A 50 9.692 0.706 -12.391 1.00 0.00 N ATOM 756 CA ARG A 50 10.417 1.650 -11.549 1.00 0.00 C ATOM 757 C ARG A 50 10.479 1.156 -10.107 1.00 0.00 C ATOM 758 O ARG A 50 9.472 0.727 -9.542 1.00 0.00 O ATOM 759 CB ARG A 50 9.752 3.027 -11.600 1.00 0.00 C ATOM 760 CG ARG A 50 10.178 3.866 -12.793 1.00 0.00 C ATOM 761 CD ARG A 50 11.488 4.591 -12.525 1.00 0.00 C ATOM 762 NE ARG A 50 11.287 5.814 -11.752 1.00 0.00 N ATOM 763 CZ ARG A 50 10.929 6.974 -12.290 1.00 0.00 C ATOM 764 NH1 ARG A 50 10.732 7.068 -13.598 1.00 0.00 N ATOM 765 NH2 ARG A 50 10.766 8.042 -11.521 1.00 0.00 N ATOM 0 H ARG A 50 8.765 1.022 -12.677 1.00 0.00 H new ATOM 0 HA ARG A 50 11.435 1.731 -11.931 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.670 2.898 -11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.987 3.568 -10.684 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.288 3.226 -13.669 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.399 4.593 -13.025 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.166 3.929 -11.986 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.968 4.836 -13.473 1.00 0.00 H new ATOM 0 HE ARG A 50 11.430 5.775 -10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.855 6.248 -14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.457 7.960 -14.010 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.916 7.973 -10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.491 8.932 -11.936 1.00 0.00 H new ATOM 779 N LEU A 51 11.668 1.219 -9.516 1.00 0.00 N ATOM 780 CA LEU A 51 11.862 0.778 -8.139 1.00 0.00 C ATOM 781 C LEU A 51 12.163 1.961 -7.226 1.00 0.00 C ATOM 782 O LEU A 51 12.718 2.969 -7.661 1.00 0.00 O ATOM 783 CB LEU A 51 13.001 -0.241 -8.066 1.00 0.00 C ATOM 784 CG LEU A 51 13.191 -0.938 -6.718 1.00 0.00 C ATOM 785 CD1 LEU A 51 12.336 -2.193 -6.641 1.00 0.00 C ATOM 786 CD2 LEU A 51 14.658 -1.276 -6.495 1.00 0.00 C ATOM 0 H LEU A 51 12.511 1.571 -9.969 1.00 0.00 H new ATOM 0 HA LEU A 51 10.939 0.308 -7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.829 -1.003 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.931 0.264 -8.326 1.00 0.00 H new ATOM 0 HG LEU A 51 12.871 -0.256 -5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.484 -2.676 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.286 -1.925 -6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.624 -2.879 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.775 -1.771 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.003 -1.939 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 51 15.248 -0.360 -6.506 1.00 0.00 H new ATOM 798 N GLY A 52 11.794 1.831 -5.955 1.00 0.00 N ATOM 799 CA GLY A 52 12.034 2.896 -4.999 1.00 0.00 C ATOM 800 C GLY A 52 11.653 2.504 -3.586 1.00 0.00 C ATOM 801 O GLY A 52 11.890 1.371 -3.164 1.00 0.00 O ATOM 0 H GLY A 52 11.333 1.006 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.088 3.172 -5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.466 3.779 -5.293 1.00 0.00 H new ATOM 805 N ILE A 53 11.064 3.441 -2.852 1.00 0.00 N ATOM 806 CA ILE A 53 10.650 3.187 -1.477 1.00 0.00 C ATOM 807 C ILE A 53 9.376 3.952 -1.136 1.00 0.00 C ATOM 808 O ILE A 53 9.143 5.049 -1.644 1.00 0.00 O ATOM 809 CB ILE A 53 11.754 3.578 -0.476 1.00 0.00 C ATOM 810 CG1 ILE A 53 12.100 5.061 -0.619 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.990 2.716 -0.688 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.955 5.593 0.510 1.00 0.00 C ATOM 0 H ILE A 53 10.862 4.383 -3.186 1.00 0.00 H new ATOM 0 HA ILE A 53 10.460 2.117 -1.397 1.00 0.00 H new ATOM 0 HB ILE A 53 11.385 3.407 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.622 5.215 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.177 5.638 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.761 3.004 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.732 1.667 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.363 2.858 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.161 6.650 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.426 5.471 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.894 5.041 0.546 1.00 0.00 H new ATOM 824 N PHE A 54 8.555 3.366 -0.271 1.00 0.00 N ATOM 825 CA PHE A 54 7.304 3.993 0.140 1.00 0.00 C ATOM 826 C PHE A 54 6.898 3.534 1.537 1.00 0.00 C ATOM 827 O PHE A 54 7.270 2.453 1.995 1.00 0.00 O ATOM 828 CB PHE A 54 6.192 3.665 -0.860 1.00 0.00 C ATOM 829 CG PHE A 54 6.054 2.196 -1.141 1.00 0.00 C ATOM 830 CD1 PHE A 54 5.278 1.390 -0.324 1.00 0.00 C ATOM 831 CD2 PHE A 54 6.700 1.621 -2.223 1.00 0.00 C ATOM 832 CE1 PHE A 54 5.148 0.038 -0.580 1.00 0.00 C ATOM 833 CE2 PHE A 54 6.574 0.270 -2.485 1.00 0.00 C ATOM 834 CZ PHE A 54 5.798 -0.523 -1.662 1.00 0.00 C ATOM 0 H PHE A 54 8.733 2.458 0.159 1.00 0.00 H new ATOM 0 HA PHE A 54 7.458 5.072 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.245 4.044 -0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.389 4.189 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.768 1.824 0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.309 2.236 -2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.539 -0.579 0.065 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.082 -0.166 -3.333 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.700 -1.579 -1.864 1.00 0.00 H new ATOM 844 N PRO A 55 6.118 4.374 2.232 1.00 0.00 N ATOM 845 CA PRO A 55 5.644 4.077 3.588 1.00 0.00 C ATOM 846 C PRO A 55 4.617 2.949 3.609 1.00 0.00 C ATOM 847 O PRO A 55 4.082 2.565 2.570 1.00 0.00 O ATOM 848 CB PRO A 55 5.003 5.392 4.036 1.00 0.00 C ATOM 849 CG PRO A 55 4.605 6.070 2.771 1.00 0.00 C ATOM 850 CD PRO A 55 5.636 5.679 1.749 1.00 0.00 C ATOM 0 HA PRO A 55 6.452 3.738 4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.140 5.213 4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.705 6.000 4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.608 5.759 2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.575 7.152 2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.204 5.603 0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.443 6.410 1.693 1.00 0.00 H new ATOM 858 N ALA A 56 4.347 2.424 4.799 1.00 0.00 N ATOM 859 CA ALA A 56 3.382 1.343 4.955 1.00 0.00 C ATOM 860 C ALA A 56 1.975 1.889 5.171 1.00 0.00 C ATOM 861 O ALA A 56 1.030 1.477 4.500 1.00 0.00 O ATOM 862 CB ALA A 56 3.783 0.441 6.113 1.00 0.00 C ATOM 0 H ALA A 56 4.783 2.730 5.669 1.00 0.00 H new ATOM 0 HA ALA A 56 3.379 0.757 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.054 -0.362 6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.767 0.014 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.816 1.024 7.034 1.00 0.00 H new ATOM 868 N ASN A 57 1.844 2.818 6.112 1.00 0.00 N ATOM 869 CA ASN A 57 0.551 3.420 6.417 1.00 0.00 C ATOM 870 C ASN A 57 -0.198 3.778 5.136 1.00 0.00 C ATOM 871 O ASN A 57 -1.339 3.360 4.934 1.00 0.00 O ATOM 872 CB ASN A 57 0.737 4.671 7.278 1.00 0.00 C ATOM 873 CG ASN A 57 1.465 5.778 6.540 1.00 0.00 C ATOM 874 OD1 ASN A 57 2.775 5.626 6.389 1.00 0.00 O flip ATOM 875 ND2 ASN A 57 0.856 6.758 6.110 1.00 0.00 N flip ATOM 0 H ASN A 57 2.617 3.170 6.676 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.039 2.690 6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.238 5.034 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.295 4.410 8.178 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.152 6.834 6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.359 7.494 5.615 1.00 0.00 H new ATOM 882 N TYR A 58 0.451 4.552 4.274 1.00 0.00 N ATOM 883 CA TYR A 58 -0.153 4.968 3.014 1.00 0.00 C ATOM 884 C TYR A 58 -0.917 3.815 2.370 1.00 0.00 C ATOM 885 O TYR A 58 -1.906 4.025 1.668 1.00 0.00 O ATOM 886 CB TYR A 58 0.921 5.482 2.054 1.00 0.00 C ATOM 887 CG TYR A 58 1.262 6.942 2.254 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.947 7.367 3.385 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.899 7.896 1.311 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.260 8.700 3.572 1.00 0.00 C ATOM 891 CE2 TYR A 58 1.209 9.230 1.488 1.00 0.00 C ATOM 892 CZ TYR A 58 1.889 9.627 2.620 1.00 0.00 C ATOM 893 OH TYR A 58 2.199 10.956 2.802 1.00 0.00 O ATOM 0 H TYR A 58 1.396 4.904 4.425 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.856 5.773 3.226 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.825 4.886 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.582 5.334 1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.240 6.643 4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.365 7.589 0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.792 9.014 4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.921 9.958 0.744 1.00 0.00 H new ATOM 0 HH TYR A 58 1.868 11.476 2.040 1.00 0.00 H new ATOM 903 N VAL A 59 -0.450 2.595 2.615 1.00 0.00 N ATOM 904 CA VAL A 59 -1.088 1.406 2.061 1.00 0.00 C ATOM 905 C VAL A 59 -1.590 0.486 3.168 1.00 0.00 C ATOM 906 O VAL A 59 -1.224 0.642 4.332 1.00 0.00 O ATOM 907 CB VAL A 59 -0.122 0.622 1.154 1.00 0.00 C ATOM 908 CG1 VAL A 59 0.350 1.490 -0.002 1.00 0.00 C ATOM 909 CG2 VAL A 59 1.060 0.102 1.958 1.00 0.00 C ATOM 0 H VAL A 59 0.368 2.404 3.194 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.935 1.749 1.466 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.655 -0.234 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.032 0.918 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.509 1.808 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.866 2.367 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.732 -0.450 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.595 0.941 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.701 -0.559 2.747 1.00 0.00 H new ATOM 919 N GLU A 60 -2.430 -0.475 2.795 1.00 0.00 N ATOM 920 CA GLU A 60 -2.982 -1.421 3.758 1.00 0.00 C ATOM 921 C GLU A 60 -3.384 -2.723 3.071 1.00 0.00 C ATOM 922 O GLU A 60 -3.619 -2.754 1.863 1.00 0.00 O ATOM 923 CB GLU A 60 -4.192 -0.812 4.469 1.00 0.00 C ATOM 924 CG GLU A 60 -4.525 -1.486 5.789 1.00 0.00 C ATOM 925 CD GLU A 60 -5.693 -0.830 6.501 1.00 0.00 C ATOM 926 OE1 GLU A 60 -6.733 -0.603 5.847 1.00 0.00 O ATOM 927 OE2 GLU A 60 -5.567 -0.543 7.709 1.00 0.00 O ATOM 0 H GLU A 60 -2.743 -0.619 1.835 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.210 -1.642 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.003 0.246 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.059 -0.873 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.758 -2.535 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.649 -1.461 6.437 1.00 0.00 H new ATOM 934 N VAL A 61 -3.461 -3.797 3.851 1.00 0.00 N ATOM 935 CA VAL A 61 -3.835 -5.103 3.319 1.00 0.00 C ATOM 936 C VAL A 61 -5.310 -5.137 2.934 1.00 0.00 C ATOM 937 O VAL A 61 -6.184 -5.262 3.793 1.00 0.00 O ATOM 938 CB VAL A 61 -3.555 -6.224 4.337 1.00 0.00 C ATOM 939 CG1 VAL A 61 -4.072 -7.557 3.819 1.00 0.00 C ATOM 940 CG2 VAL A 61 -2.067 -6.304 4.645 1.00 0.00 C ATOM 0 H VAL A 61 -3.270 -3.789 4.853 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.227 -5.270 2.430 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.083 -5.991 5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.865 -8.337 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.147 -7.491 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.575 -7.800 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.887 -7.101 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.516 -6.513 3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.730 -5.355 5.062 1.00 0.00 H new ATOM 950 N LEU A 62 -5.580 -5.026 1.638 1.00 0.00 N ATOM 951 CA LEU A 62 -6.950 -5.045 1.138 1.00 0.00 C ATOM 952 C LEU A 62 -7.508 -6.465 1.132 1.00 0.00 C ATOM 953 O LEU A 62 -6.761 -7.435 1.004 1.00 0.00 O ATOM 954 CB LEU A 62 -7.007 -4.457 -0.273 1.00 0.00 C ATOM 955 CG LEU A 62 -6.899 -5.458 -1.423 1.00 0.00 C ATOM 956 CD1 LEU A 62 -5.698 -6.370 -1.225 1.00 0.00 C ATOM 957 CD2 LEU A 62 -8.178 -6.274 -1.541 1.00 0.00 C ATOM 0 H LEU A 62 -4.868 -4.922 0.915 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.562 -4.436 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.945 -3.911 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.202 -3.730 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.759 -4.904 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.637 -7.076 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.788 -5.771 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.807 -6.917 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.083 -6.982 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.349 -6.819 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.019 -5.607 -1.730 1.00 0.00 H new ATOM 969 N SER A 63 -8.825 -6.579 1.268 1.00 0.00 N ATOM 970 CA SER A 63 -9.483 -7.880 1.280 1.00 0.00 C ATOM 971 C SER A 63 -10.054 -8.212 -0.095 1.00 0.00 C ATOM 972 O SER A 63 -9.948 -9.343 -0.568 1.00 0.00 O ATOM 973 CB SER A 63 -10.598 -7.902 2.327 1.00 0.00 C ATOM 974 OG SER A 63 -11.272 -6.657 2.380 1.00 0.00 O ATOM 0 H SER A 63 -9.458 -5.786 1.371 1.00 0.00 H new ATOM 0 HA SER A 63 -8.739 -8.634 1.537 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.308 -8.694 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.178 -8.134 3.306 1.00 0.00 H new ATOM 0 HG SER A 63 -11.981 -6.697 3.055 1.00 0.00 H new ATOM 980 N GLY A 64 -10.662 -7.216 -0.733 1.00 0.00 N ATOM 981 CA GLY A 64 -11.242 -7.421 -2.047 1.00 0.00 C ATOM 982 C GLY A 64 -11.082 -6.212 -2.947 1.00 0.00 C ATOM 983 O GLY A 64 -11.107 -5.067 -2.494 1.00 0.00 O ATOM 0 H GLY A 64 -10.763 -6.271 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.772 -8.285 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.302 -7.653 -1.941 1.00 0.00 H new ATOM 987 N PRO A 65 -10.911 -6.460 -4.254 1.00 0.00 N ATOM 988 CA PRO A 65 -10.741 -5.395 -5.246 1.00 0.00 C ATOM 989 C PRO A 65 -12.022 -4.597 -5.466 1.00 0.00 C ATOM 990 O PRO A 65 -13.122 -5.089 -5.213 1.00 0.00 O ATOM 991 CB PRO A 65 -10.360 -6.154 -6.520 1.00 0.00 C ATOM 992 CG PRO A 65 -10.939 -7.514 -6.338 1.00 0.00 C ATOM 993 CD PRO A 65 -10.871 -7.800 -4.863 1.00 0.00 C ATOM 0 HA PRO A 65 -9.999 -4.661 -4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -10.765 -5.667 -7.407 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.278 -6.198 -6.646 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.968 -7.551 -6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.378 -8.256 -6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.708 -8.416 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.958 -8.334 -4.599 1.00 0.00 H new ATOM 1001 N SER A 66 -11.872 -3.364 -5.938 1.00 0.00 N ATOM 1002 CA SER A 66 -13.018 -2.497 -6.188 1.00 0.00 C ATOM 1003 C SER A 66 -13.826 -2.283 -4.912 1.00 0.00 C ATOM 1004 O SER A 66 -15.055 -2.355 -4.924 1.00 0.00 O ATOM 1005 CB SER A 66 -13.910 -3.096 -7.277 1.00 0.00 C ATOM 1006 OG SER A 66 -13.333 -2.927 -8.560 1.00 0.00 O ATOM 0 H SER A 66 -10.969 -2.943 -6.155 1.00 0.00 H new ATOM 0 HA SER A 66 -12.644 -1.531 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.065 -4.157 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.890 -2.621 -7.250 1.00 0.00 H new ATOM 0 HG SER A 66 -13.922 -3.320 -9.238 1.00 0.00 H new ATOM 1012 N SER A 67 -13.127 -2.022 -3.813 1.00 0.00 N ATOM 1013 CA SER A 67 -13.778 -1.801 -2.527 1.00 0.00 C ATOM 1014 C SER A 67 -14.189 -0.341 -2.369 1.00 0.00 C ATOM 1015 O SER A 67 -15.370 -0.029 -2.219 1.00 0.00 O ATOM 1016 CB SER A 67 -12.847 -2.207 -1.383 1.00 0.00 C ATOM 1017 OG SER A 67 -13.505 -2.113 -0.132 1.00 0.00 O ATOM 0 H SER A 67 -12.109 -1.958 -3.787 1.00 0.00 H new ATOM 0 HA SER A 67 -14.676 -2.419 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.499 -3.228 -1.538 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.965 -1.566 -1.383 1.00 0.00 H new ATOM 0 HG SER A 67 -12.889 -2.379 0.582 1.00 0.00 H new ATOM 1023 N GLY A 68 -13.204 0.552 -2.404 1.00 0.00 N ATOM 1024 CA GLY A 68 -13.483 1.969 -2.263 1.00 0.00 C ATOM 1025 C GLY A 68 -13.399 2.437 -0.824 1.00 0.00 C ATOM 1026 O GLY A 68 -13.640 1.662 0.102 1.00 0.00 O ATOM 0 H GLY A 68 -12.219 0.319 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.776 2.537 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -14.479 2.180 -2.653 1.00 0.00 H new TER 1030 GLY A 68