USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 679 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 71 GLN : amide:sc= -3.85! C(o=-4.2!,f=-6.5!) USER MOD Set 1.2: A 72 GLN : amide:sc= -0.395 X(o=-4.2,f=-3.9) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 157:sc= 1.03 (180deg=0) USER MOD Set 2.2: A 55 SER OG : rot -90:sc= 1.03 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 20:sc= 0.0839 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= 0.263 (180deg=0.149) USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= -0.712 (180deg=-3.3!) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 18 SER OG : rot 180:sc= -0.434 USER MOD Single : A 20 LYS NZ :NH3+ -112:sc= -0.29 (180deg=-1.91!) USER MOD Single : A 26 MET CE :methyl 169:sc= -2.97 (180deg=-3.22) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -7.24! C(o=-9.9!,f=-7.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 15:sc= -0.415 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -5.45! C(o=-5.5!,f=-7.6!) USER MOD Single : A 42 MET CE :methyl -173:sc= -0.503 (180deg=-0.626) USER MOD Single : A 44 SER OG : rot 115:sc= 1.23 USER MOD Single : A 46 LYS NZ :NH3+ -99:sc= -0.208 (180deg=-1.85!) USER MOD Single : A 47 THR OG1 : rot -69:sc= -0.279 USER MOD Single : A 48 ASN : amide:sc= -1.42 K(o=-1.4,f=-8.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.9!) USER MOD Single : A 56 ASN :FLIP amide:sc= -4.08! C(o=-4.7!,f=-4.1!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl -113:sc= -5.02! (180deg=-7.16!) USER MOD Single : A 75 ASN : amide:sc= -0.0198 K(o=-0.02,f=-0.54) USER MOD Single : A 78 SER OG : rot -84:sc= 0.007 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.804 -10.590 13.034 1.00 0.00 N ATOM 2 CA GLY A 1 8.076 -11.711 13.599 1.00 0.00 C ATOM 3 C GLY A 1 7.594 -12.683 12.540 1.00 0.00 C ATOM 4 O GLY A 1 6.674 -12.379 11.781 1.00 0.00 O ATOM 0 H1 GLY A 1 9.112 -9.955 13.798 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.637 -10.941 12.519 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.186 -10.069 12.379 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.717 -12.237 14.306 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.220 -11.338 14.162 1.00 0.00 H new ATOM 8 N SER A 2 8.219 -13.855 12.487 1.00 0.00 N ATOM 9 CA SER A 2 7.853 -14.873 11.509 1.00 0.00 C ATOM 10 C SER A 2 6.343 -15.091 11.491 1.00 0.00 C ATOM 11 O SER A 2 5.768 -15.609 12.449 1.00 0.00 O ATOM 12 CB SER A 2 8.566 -16.190 11.821 1.00 0.00 C ATOM 13 OG SER A 2 9.924 -16.142 11.418 1.00 0.00 O ATOM 0 H SER A 2 8.981 -14.123 13.110 1.00 0.00 H new ATOM 0 HA SER A 2 8.164 -14.524 10.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.508 -16.395 12.890 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.061 -17.010 11.311 1.00 0.00 H new ATOM 0 HG SER A 2 10.358 -16.995 11.630 1.00 0.00 H new ATOM 19 N SER A 3 5.706 -14.691 10.395 1.00 0.00 N ATOM 20 CA SER A 3 4.263 -14.839 10.253 1.00 0.00 C ATOM 21 C SER A 3 3.889 -15.152 8.807 1.00 0.00 C ATOM 22 O SER A 3 4.606 -14.790 7.876 1.00 0.00 O ATOM 23 CB SER A 3 3.551 -13.564 10.711 1.00 0.00 C ATOM 24 OG SER A 3 3.416 -13.535 12.121 1.00 0.00 O ATOM 0 H SER A 3 6.167 -14.262 9.593 1.00 0.00 H new ATOM 0 HA SER A 3 3.944 -15.671 10.881 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.112 -12.691 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.566 -13.507 10.247 1.00 0.00 H new ATOM 0 HG SER A 3 4.064 -14.150 12.524 1.00 0.00 H new ATOM 30 N GLY A 4 2.758 -15.829 8.629 1.00 0.00 N ATOM 31 CA GLY A 4 2.307 -16.181 7.295 1.00 0.00 C ATOM 32 C GLY A 4 1.385 -17.384 7.293 1.00 0.00 C ATOM 33 O GLY A 4 1.676 -18.399 7.926 1.00 0.00 O ATOM 0 H GLY A 4 2.147 -16.140 9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.789 -15.330 6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.172 -16.389 6.666 1.00 0.00 H new ATOM 37 N SER A 5 0.268 -17.270 6.581 1.00 0.00 N ATOM 38 CA SER A 5 -0.704 -18.355 6.504 1.00 0.00 C ATOM 39 C SER A 5 -1.764 -18.060 5.448 1.00 0.00 C ATOM 40 O SER A 5 -2.108 -16.904 5.203 1.00 0.00 O ATOM 41 CB SER A 5 -1.369 -18.569 7.865 1.00 0.00 C ATOM 42 OG SER A 5 -1.834 -19.901 8.001 1.00 0.00 O ATOM 0 H SER A 5 0.014 -16.437 6.049 1.00 0.00 H new ATOM 0 HA SER A 5 -0.175 -19.265 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.658 -18.346 8.660 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.203 -17.876 7.979 1.00 0.00 H new ATOM 0 HG SER A 5 -2.253 -20.013 8.880 1.00 0.00 H new ATOM 48 N SER A 6 -2.278 -19.116 4.824 1.00 0.00 N ATOM 49 CA SER A 6 -3.297 -18.972 3.791 1.00 0.00 C ATOM 50 C SER A 6 -4.683 -19.284 4.347 1.00 0.00 C ATOM 51 O SER A 6 -5.065 -20.446 4.477 1.00 0.00 O ATOM 52 CB SER A 6 -2.989 -19.895 2.610 1.00 0.00 C ATOM 53 OG SER A 6 -4.032 -19.861 1.651 1.00 0.00 O ATOM 0 H SER A 6 -2.005 -20.080 5.016 1.00 0.00 H new ATOM 0 HA SER A 6 -3.287 -17.938 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.051 -19.593 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.853 -20.916 2.968 1.00 0.00 H new ATOM 0 HG SER A 6 -3.811 -20.458 0.906 1.00 0.00 H new ATOM 59 N GLY A 7 -5.432 -18.235 4.674 1.00 0.00 N ATOM 60 CA GLY A 7 -6.767 -18.417 5.213 1.00 0.00 C ATOM 61 C GLY A 7 -7.832 -18.424 4.134 1.00 0.00 C ATOM 62 O GLY A 7 -7.542 -18.689 2.967 1.00 0.00 O ATOM 0 H GLY A 7 -5.138 -17.263 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.808 -19.356 5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.980 -17.619 5.924 1.00 0.00 H new ATOM 66 N LYS A 8 -9.069 -18.134 4.523 1.00 0.00 N ATOM 67 CA LYS A 8 -10.182 -18.108 3.581 1.00 0.00 C ATOM 68 C LYS A 8 -10.990 -16.823 3.730 1.00 0.00 C ATOM 69 O LYS A 8 -11.310 -16.404 4.842 1.00 0.00 O ATOM 70 CB LYS A 8 -11.088 -19.322 3.798 1.00 0.00 C ATOM 71 CG LYS A 8 -11.786 -19.793 2.534 1.00 0.00 C ATOM 72 CD LYS A 8 -10.811 -20.451 1.571 1.00 0.00 C ATOM 73 CE LYS A 8 -11.376 -20.509 0.160 1.00 0.00 C ATOM 74 NZ LYS A 8 -10.757 -21.602 -0.640 1.00 0.00 N ATOM 0 H LYS A 8 -9.326 -17.913 5.485 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.773 -18.144 2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.493 -20.141 4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.840 -19.075 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.574 -20.499 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.266 -18.945 2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.873 -19.896 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.583 -21.460 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.455 -20.659 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.208 -19.554 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.168 -21.609 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.731 -21.446 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.939 -22.516 -0.178 1.00 0.00 H new ATOM 88 N LYS A 9 -11.318 -16.203 2.602 1.00 0.00 N ATOM 89 CA LYS A 9 -12.092 -14.967 2.605 1.00 0.00 C ATOM 90 C LYS A 9 -13.155 -14.993 3.699 1.00 0.00 C ATOM 91 O LYS A 9 -14.064 -15.823 3.674 1.00 0.00 O ATOM 92 CB LYS A 9 -12.754 -14.752 1.242 1.00 0.00 C ATOM 93 CG LYS A 9 -13.172 -13.314 0.989 1.00 0.00 C ATOM 94 CD LYS A 9 -13.281 -13.018 -0.498 1.00 0.00 C ATOM 95 CE LYS A 9 -13.183 -11.526 -0.778 1.00 0.00 C ATOM 96 NZ LYS A 9 -14.381 -10.790 -0.286 1.00 0.00 N ATOM 0 H LYS A 9 -11.060 -16.536 1.673 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.409 -14.141 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.063 -15.064 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.631 -15.395 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.131 -13.123 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.447 -12.638 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.490 -13.542 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.229 -13.399 -0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.289 -11.125 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.072 -11.364 -1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.430 -9.859 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.239 -11.334 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.311 -10.662 0.744 1.00 0.00 H new ATOM 110 N ARG A 10 -13.034 -14.079 4.656 1.00 0.00 N ATOM 111 CA ARG A 10 -13.985 -13.998 5.759 1.00 0.00 C ATOM 112 C ARG A 10 -14.927 -12.812 5.578 1.00 0.00 C ATOM 113 O ARG A 10 -16.140 -12.937 5.747 1.00 0.00 O ATOM 114 CB ARG A 10 -13.243 -13.875 7.091 1.00 0.00 C ATOM 115 CG ARG A 10 -12.379 -12.629 7.195 1.00 0.00 C ATOM 116 CD ARG A 10 -11.578 -12.612 8.488 1.00 0.00 C ATOM 117 NE ARG A 10 -10.867 -11.351 8.675 1.00 0.00 N ATOM 118 CZ ARG A 10 -10.065 -11.105 9.705 1.00 0.00 C ATOM 119 NH1 ARG A 10 -9.873 -12.029 10.635 1.00 0.00 N ATOM 120 NH2 ARG A 10 -9.453 -9.932 9.805 1.00 0.00 N ATOM 0 H ARG A 10 -12.288 -13.385 4.690 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.577 -14.913 5.764 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.970 -13.871 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.615 -14.755 7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.699 -12.584 6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.010 -11.742 7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.248 -12.779 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.862 -13.434 8.482 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.993 -10.618 7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.342 -12.932 10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.257 -11.837 11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.598 -9.218 9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.837 -9.744 10.596 1.00 0.00 H new ATOM 134 N LYS A 11 -14.361 -11.660 5.233 1.00 0.00 N ATOM 135 CA LYS A 11 -15.149 -10.451 5.028 1.00 0.00 C ATOM 136 C LYS A 11 -14.885 -9.857 3.648 1.00 0.00 C ATOM 137 O LYS A 11 -14.147 -10.428 2.847 1.00 0.00 O ATOM 138 CB LYS A 11 -14.827 -9.418 6.110 1.00 0.00 C ATOM 139 CG LYS A 11 -13.488 -8.727 5.912 1.00 0.00 C ATOM 140 CD LYS A 11 -13.272 -7.627 6.937 1.00 0.00 C ATOM 141 CE LYS A 11 -11.795 -7.441 7.251 1.00 0.00 C ATOM 142 NZ LYS A 11 -11.588 -6.588 8.455 1.00 0.00 N ATOM 0 H LYS A 11 -13.358 -11.539 5.090 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.203 -10.719 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.615 -8.666 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.833 -9.909 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.685 -9.460 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.440 -8.305 4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.686 -6.691 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.812 -7.870 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.332 -8.415 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.296 -6.988 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.994 -5.772 8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.508 -6.252 8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.117 -7.144 9.197 1.00 0.00 H new ATOM 156 N GLY A 12 -15.493 -8.706 3.378 1.00 0.00 N ATOM 157 CA GLY A 12 -15.310 -8.053 2.094 1.00 0.00 C ATOM 158 C GLY A 12 -13.883 -7.590 1.878 1.00 0.00 C ATOM 159 O GLY A 12 -13.055 -8.333 1.353 1.00 0.00 O ATOM 0 H GLY A 12 -16.109 -8.214 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.590 -8.741 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.981 -7.197 2.026 1.00 0.00 H new ATOM 163 N ASN A 13 -13.595 -6.358 2.283 1.00 0.00 N ATOM 164 CA ASN A 13 -12.258 -5.795 2.129 1.00 0.00 C ATOM 165 C ASN A 13 -11.323 -6.307 3.221 1.00 0.00 C ATOM 166 O ASN A 13 -11.749 -7.010 4.138 1.00 0.00 O ATOM 167 CB ASN A 13 -12.318 -4.267 2.168 1.00 0.00 C ATOM 168 CG ASN A 13 -12.806 -3.674 0.860 1.00 0.00 C ATOM 169 OD1 ASN A 13 -13.464 -4.349 0.067 1.00 0.00 O ATOM 170 ND2 ASN A 13 -12.486 -2.406 0.629 1.00 0.00 N ATOM 0 H ASN A 13 -14.269 -5.730 2.720 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.866 -6.112 1.162 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.979 -3.953 2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -11.328 -3.873 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.787 -1.953 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.939 -1.885 1.314 1.00 0.00 H new ATOM 177 N LEU A 14 -10.048 -5.948 3.116 1.00 0.00 N ATOM 178 CA LEU A 14 -9.052 -6.370 4.095 1.00 0.00 C ATOM 179 C LEU A 14 -9.023 -5.418 5.286 1.00 0.00 C ATOM 180 O LEU A 14 -9.349 -4.236 5.176 1.00 0.00 O ATOM 181 CB LEU A 14 -7.668 -6.437 3.447 1.00 0.00 C ATOM 182 CG LEU A 14 -7.629 -6.919 1.996 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.427 -6.334 1.271 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.600 -8.439 1.939 1.00 0.00 C ATOM 0 H LEU A 14 -9.680 -5.366 2.363 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.327 -7.362 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.220 -5.444 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.040 -7.097 4.045 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.533 -6.574 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.416 -6.688 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.491 -5.246 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.511 -6.648 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.572 -8.764 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.714 -8.806 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.493 -8.838 2.420 1.00 0.00 H new ATOM 196 N PRO A 15 -8.620 -5.943 6.453 1.00 0.00 N ATOM 197 CA PRO A 15 -8.535 -5.156 7.687 1.00 0.00 C ATOM 198 C PRO A 15 -7.406 -4.132 7.645 1.00 0.00 C ATOM 199 O PRO A 15 -6.294 -4.437 7.214 1.00 0.00 O ATOM 200 CB PRO A 15 -8.260 -6.211 8.762 1.00 0.00 C ATOM 201 CG PRO A 15 -7.607 -7.334 8.033 1.00 0.00 C ATOM 202 CD PRO A 15 -8.215 -7.344 6.657 1.00 0.00 C ATOM 0 HA PRO A 15 -9.440 -4.574 7.862 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.612 -5.818 9.546 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.183 -6.535 9.244 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.528 -7.191 7.982 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.779 -8.282 8.542 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.498 -7.669 5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.067 -8.021 6.599 1.00 0.00 H new ATOM 210 N ALA A 16 -7.698 -2.917 8.097 1.00 0.00 N ATOM 211 CA ALA A 16 -6.707 -1.849 8.113 1.00 0.00 C ATOM 212 C ALA A 16 -5.322 -2.390 8.454 1.00 0.00 C ATOM 213 O ALA A 16 -4.408 -2.340 7.633 1.00 0.00 O ATOM 214 CB ALA A 16 -7.112 -0.768 9.104 1.00 0.00 C ATOM 0 H ALA A 16 -8.614 -2.648 8.457 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.663 -1.413 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.363 0.023 9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.078 -0.353 8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.186 -1.199 10.102 1.00 0.00 H new ATOM 220 N GLU A 17 -5.177 -2.905 9.671 1.00 0.00 N ATOM 221 CA GLU A 17 -3.902 -3.454 10.120 1.00 0.00 C ATOM 222 C GLU A 17 -3.167 -4.134 8.968 1.00 0.00 C ATOM 223 O GLU A 17 -1.996 -3.851 8.712 1.00 0.00 O ATOM 224 CB GLU A 17 -4.124 -4.453 11.258 1.00 0.00 C ATOM 225 CG GLU A 17 -4.977 -5.646 10.862 1.00 0.00 C ATOM 226 CD GLU A 17 -5.505 -6.409 12.062 1.00 0.00 C ATOM 227 OE1 GLU A 17 -4.688 -6.800 12.922 1.00 0.00 O ATOM 228 OE2 GLU A 17 -6.734 -6.614 12.141 1.00 0.00 O ATOM 0 H GLU A 17 -5.925 -2.954 10.363 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.289 -2.630 10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.156 -4.810 11.611 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.598 -3.939 12.094 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.816 -5.303 10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.388 -6.319 10.239 1.00 0.00 H new ATOM 235 N SER A 18 -3.862 -5.031 8.277 1.00 0.00 N ATOM 236 CA SER A 18 -3.275 -5.755 7.155 1.00 0.00 C ATOM 237 C SER A 18 -3.093 -4.835 5.952 1.00 0.00 C ATOM 238 O SER A 18 -2.123 -4.959 5.203 1.00 0.00 O ATOM 239 CB SER A 18 -4.156 -6.946 6.773 1.00 0.00 C ATOM 240 OG SER A 18 -4.287 -7.851 7.855 1.00 0.00 O ATOM 0 H SER A 18 -4.833 -5.274 8.474 1.00 0.00 H new ATOM 0 HA SER A 18 -2.295 -6.121 7.462 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.141 -6.591 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.725 -7.461 5.914 1.00 0.00 H new ATOM 0 HG SER A 18 -4.856 -8.602 7.586 1.00 0.00 H new ATOM 246 N VAL A 19 -4.032 -3.912 5.772 1.00 0.00 N ATOM 247 CA VAL A 19 -3.976 -2.971 4.660 1.00 0.00 C ATOM 248 C VAL A 19 -2.706 -2.129 4.717 1.00 0.00 C ATOM 249 O VAL A 19 -1.958 -2.047 3.743 1.00 0.00 O ATOM 250 CB VAL A 19 -5.199 -2.035 4.655 1.00 0.00 C ATOM 251 CG1 VAL A 19 -5.143 -1.089 3.465 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.488 -2.844 4.643 1.00 0.00 C ATOM 0 H VAL A 19 -4.841 -3.796 6.382 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.976 -3.562 3.744 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.180 -1.436 5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.015 -0.436 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.237 -0.486 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.137 -1.667 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.342 -2.167 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.517 -3.469 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.529 -3.476 5.530 1.00 0.00 H new ATOM 262 N LYS A 20 -2.469 -1.503 5.865 1.00 0.00 N ATOM 263 CA LYS A 20 -1.288 -0.668 6.052 1.00 0.00 C ATOM 264 C LYS A 20 -0.070 -1.289 5.376 1.00 0.00 C ATOM 265 O LYS A 20 0.759 -0.583 4.800 1.00 0.00 O ATOM 266 CB LYS A 20 -1.011 -0.467 7.543 1.00 0.00 C ATOM 267 CG LYS A 20 0.287 0.268 7.827 1.00 0.00 C ATOM 268 CD LYS A 20 0.544 0.391 9.320 1.00 0.00 C ATOM 269 CE LYS A 20 -0.213 1.566 9.920 1.00 0.00 C ATOM 270 NZ LYS A 20 -1.617 1.205 10.261 1.00 0.00 N ATOM 0 H LYS A 20 -3.079 -1.558 6.680 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.482 0.301 5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.838 0.089 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.982 -1.440 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.116 -0.261 7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.249 1.262 7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.243 -0.530 9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.612 0.516 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.302 1.910 10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.213 2.397 9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.269 1.715 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.751 0.181 10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.813 1.467 11.248 1.00 0.00 H new ATOM 284 N ILE A 21 0.032 -2.612 5.450 1.00 0.00 N ATOM 285 CA ILE A 21 1.148 -3.327 4.844 1.00 0.00 C ATOM 286 C ILE A 21 1.142 -3.170 3.327 1.00 0.00 C ATOM 287 O ILE A 21 2.183 -2.939 2.711 1.00 0.00 O ATOM 288 CB ILE A 21 1.113 -4.826 5.194 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.406 -5.032 6.681 1.00 0.00 C ATOM 290 CG2 ILE A 21 2.112 -5.593 4.340 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.172 -4.975 7.554 1.00 0.00 C ATOM 0 H ILE A 21 -0.645 -3.210 5.924 1.00 0.00 H new ATOM 0 HA ILE A 21 2.061 -2.889 5.249 1.00 0.00 H new ATOM 0 HB ILE A 21 0.115 -5.210 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.893 -5.998 6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.111 -4.270 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.075 -6.651 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.861 -5.469 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.116 -5.209 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.455 -5.129 8.595 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.304 -4.000 7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.526 -5.755 7.249 1.00 0.00 H new ATOM 303 N LEU A 22 -0.038 -3.296 2.730 1.00 0.00 N ATOM 304 CA LEU A 22 -0.181 -3.166 1.284 1.00 0.00 C ATOM 305 C LEU A 22 -0.088 -1.705 0.856 1.00 0.00 C ATOM 306 O LEU A 22 0.645 -1.365 -0.073 1.00 0.00 O ATOM 307 CB LEU A 22 -1.516 -3.758 0.828 1.00 0.00 C ATOM 308 CG LEU A 22 -1.716 -5.250 1.101 1.00 0.00 C ATOM 309 CD1 LEU A 22 -3.107 -5.689 0.671 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.651 -6.070 0.387 1.00 0.00 C ATOM 0 H LEU A 22 -0.909 -3.488 3.224 1.00 0.00 H new ATOM 0 HA LEU A 22 0.634 -3.716 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.320 -3.208 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.619 -3.588 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.619 -5.420 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.231 -6.753 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.855 -5.124 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.233 -5.505 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.809 -7.129 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.716 -5.895 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.336 -5.774 0.744 1.00 0.00 H new ATOM 322 N ARG A 23 -0.835 -0.844 1.541 1.00 0.00 N ATOM 323 CA ARG A 23 -0.836 0.580 1.232 1.00 0.00 C ATOM 324 C ARG A 23 0.584 1.140 1.242 1.00 0.00 C ATOM 325 O ARG A 23 1.064 1.658 0.234 1.00 0.00 O ATOM 326 CB ARG A 23 -1.702 1.341 2.238 1.00 0.00 C ATOM 327 CG ARG A 23 -3.156 1.467 1.817 1.00 0.00 C ATOM 328 CD ARG A 23 -3.925 2.400 2.741 1.00 0.00 C ATOM 329 NE ARG A 23 -3.881 1.952 4.130 1.00 0.00 N ATOM 330 CZ ARG A 23 -4.185 2.730 5.163 1.00 0.00 C ATOM 331 NH1 ARG A 23 -4.553 3.988 4.963 1.00 0.00 N ATOM 332 NH2 ARG A 23 -4.121 2.250 6.398 1.00 0.00 N ATOM 0 H ARG A 23 -1.447 -1.109 2.313 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.252 0.709 0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.654 0.834 3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.286 2.338 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.209 1.841 0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.624 0.482 1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.508 3.405 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.963 2.462 2.413 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.602 0.989 4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.603 4.360 4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.786 4.584 5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.838 1.283 6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.355 2.848 7.190 1.00 0.00 H new ATOM 346 N ASP A 24 1.249 1.031 2.386 1.00 0.00 N ATOM 347 CA ASP A 24 2.614 1.526 2.527 1.00 0.00 C ATOM 348 C ASP A 24 3.430 1.233 1.272 1.00 0.00 C ATOM 349 O ASP A 24 4.128 2.106 0.757 1.00 0.00 O ATOM 350 CB ASP A 24 3.285 0.891 3.746 1.00 0.00 C ATOM 351 CG ASP A 24 4.422 1.737 4.286 1.00 0.00 C ATOM 352 OD1 ASP A 24 5.187 2.293 3.471 1.00 0.00 O ATOM 353 OD2 ASP A 24 4.548 1.841 5.525 1.00 0.00 O ATOM 0 H ASP A 24 0.866 0.604 3.230 1.00 0.00 H new ATOM 0 HA ASP A 24 2.571 2.606 2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.542 0.742 4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.665 -0.094 3.476 1.00 0.00 H new ATOM 358 N TRP A 25 3.338 0.000 0.787 1.00 0.00 N ATOM 359 CA TRP A 25 4.069 -0.407 -0.408 1.00 0.00 C ATOM 360 C TRP A 25 3.469 0.229 -1.657 1.00 0.00 C ATOM 361 O TRP A 25 4.191 0.609 -2.578 1.00 0.00 O ATOM 362 CB TRP A 25 4.058 -1.931 -0.542 1.00 0.00 C ATOM 363 CG TRP A 25 4.668 -2.419 -1.821 1.00 0.00 C ATOM 364 CD1 TRP A 25 5.903 -2.980 -1.979 1.00 0.00 C ATOM 365 CD2 TRP A 25 4.070 -2.387 -3.122 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.109 -3.299 -3.299 1.00 0.00 N ATOM 367 CE2 TRP A 25 4.999 -2.946 -4.021 1.00 0.00 C ATOM 368 CE3 TRP A 25 2.840 -1.944 -3.614 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.735 -3.071 -5.382 1.00 0.00 C ATOM 370 CZ3 TRP A 25 2.579 -2.067 -4.965 1.00 0.00 C ATOM 371 CH2 TRP A 25 3.523 -2.628 -5.837 1.00 0.00 C ATOM 0 H TRP A 25 2.765 -0.735 1.202 1.00 0.00 H new ATOM 0 HA TRP A 25 5.099 -0.064 -0.308 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.598 -2.366 0.299 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.030 -2.287 -0.479 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.613 -3.148 -1.183 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.952 -3.729 -3.680 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.106 -1.513 -2.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.461 -3.502 -6.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.632 -1.725 -5.356 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.289 -2.712 -6.888 1.00 0.00 H new ATOM 382 N MET A 26 2.145 0.342 -1.681 1.00 0.00 N ATOM 383 CA MET A 26 1.449 0.934 -2.817 1.00 0.00 C ATOM 384 C MET A 26 1.889 2.379 -3.031 1.00 0.00 C ATOM 385 O MET A 26 1.893 2.877 -4.157 1.00 0.00 O ATOM 386 CB MET A 26 -0.065 0.876 -2.603 1.00 0.00 C ATOM 387 CG MET A 26 -0.853 1.697 -3.610 1.00 0.00 C ATOM 388 SD MET A 26 -1.173 0.799 -5.140 1.00 0.00 S ATOM 389 CE MET A 26 -2.961 0.876 -5.211 1.00 0.00 C ATOM 0 H MET A 26 1.533 0.031 -0.927 1.00 0.00 H new ATOM 0 HA MET A 26 1.705 0.359 -3.707 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.392 -0.162 -2.658 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.295 1.230 -1.598 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.801 1.998 -3.165 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.304 2.610 -3.838 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.301 0.539 -6.190 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.384 0.233 -4.439 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.288 1.903 -5.047 1.00 0.00 H new ATOM 399 N TYR A 27 2.257 3.048 -1.943 1.00 0.00 N ATOM 400 CA TYR A 27 2.695 4.437 -2.012 1.00 0.00 C ATOM 401 C TYR A 27 4.051 4.546 -2.702 1.00 0.00 C ATOM 402 O TYR A 27 4.233 5.349 -3.618 1.00 0.00 O ATOM 403 CB TYR A 27 2.774 5.038 -0.608 1.00 0.00 C ATOM 404 CG TYR A 27 2.667 6.546 -0.588 1.00 0.00 C ATOM 405 CD1 TYR A 27 3.679 7.341 -1.112 1.00 0.00 C ATOM 406 CD2 TYR A 27 1.554 7.176 -0.045 1.00 0.00 C ATOM 407 CE1 TYR A 27 3.585 8.719 -1.096 1.00 0.00 C ATOM 408 CE2 TYR A 27 1.451 8.554 -0.026 1.00 0.00 C ATOM 409 CZ TYR A 27 2.469 9.321 -0.552 1.00 0.00 C ATOM 410 OH TYR A 27 2.371 10.693 -0.533 1.00 0.00 O ATOM 0 H TYR A 27 2.261 2.651 -1.004 1.00 0.00 H new ATOM 0 HA TYR A 27 1.964 4.994 -2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.976 4.617 0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.717 4.743 -0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.554 6.874 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.756 6.578 0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.381 9.322 -1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.578 9.027 0.398 1.00 0.00 H new ATOM 0 HH TYR A 27 1.523 10.955 -0.117 1.00 0.00 H new ATOM 420 N LYS A 28 5.002 3.733 -2.255 1.00 0.00 N ATOM 421 CA LYS A 28 6.343 3.735 -2.828 1.00 0.00 C ATOM 422 C LYS A 28 6.301 3.380 -4.311 1.00 0.00 C ATOM 423 O LYS A 28 6.922 4.049 -5.137 1.00 0.00 O ATOM 424 CB LYS A 28 7.241 2.746 -2.081 1.00 0.00 C ATOM 425 CG LYS A 28 7.489 3.125 -0.632 1.00 0.00 C ATOM 426 CD LYS A 28 8.621 2.310 -0.029 1.00 0.00 C ATOM 427 CE LYS A 28 8.694 2.489 1.480 1.00 0.00 C ATOM 428 NZ LYS A 28 9.157 3.853 1.855 1.00 0.00 N ATOM 0 H LYS A 28 4.869 3.064 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 28 6.754 4.739 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.785 1.756 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.198 2.675 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.729 4.186 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.579 2.969 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.477 1.256 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.567 2.611 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.711 2.307 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.372 1.747 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.193 3.935 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.105 4.018 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.496 4.561 1.475 1.00 0.00 H new ATOM 442 N HIS A 29 5.564 2.324 -4.642 1.00 0.00 N ATOM 443 CA HIS A 29 5.440 1.882 -6.026 1.00 0.00 C ATOM 444 C HIS A 29 4.207 2.495 -6.684 1.00 0.00 C ATOM 445 O HIS A 29 3.890 2.193 -7.834 1.00 0.00 O ATOM 446 CB HIS A 29 5.361 0.357 -6.091 1.00 0.00 C ATOM 447 CG HIS A 29 6.485 -0.332 -5.381 1.00 0.00 C ATOM 448 ND1 HIS A 29 6.609 -0.725 -4.091 1.00 0.00 N flip ATOM 449 CD2 HIS A 29 7.661 -0.692 -6.004 1.00 0.00 C flip ATOM 450 CE1 HIS A 29 7.844 -1.310 -3.960 1.00 0.00 C flip ATOM 451 NE2 HIS A 29 8.459 -1.278 -5.129 1.00 0.00 N flip ATOM 0 H HIS A 29 5.044 1.759 -3.971 1.00 0.00 H new ATOM 0 HA HIS A 29 6.324 2.216 -6.569 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.415 0.032 -5.658 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.357 0.046 -7.136 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.914 -0.608 -3.354 1.00 0.00 H new ATOM 0 HD2 HIS A 29 7.894 -0.522 -7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.247 -1.728 -3.050 1.00 0.00 H new ATOM 460 N ARG A 30 3.515 3.357 -5.945 1.00 0.00 N ATOM 461 CA ARG A 30 2.316 4.010 -6.455 1.00 0.00 C ATOM 462 C ARG A 30 2.500 4.420 -7.914 1.00 0.00 C ATOM 463 O ARG A 30 1.550 4.406 -8.698 1.00 0.00 O ATOM 464 CB ARG A 30 1.979 5.239 -5.608 1.00 0.00 C ATOM 465 CG ARG A 30 2.769 6.479 -5.993 1.00 0.00 C ATOM 466 CD ARG A 30 2.506 7.627 -5.030 1.00 0.00 C ATOM 467 NE ARG A 30 3.302 8.807 -5.356 1.00 0.00 N ATOM 468 CZ ARG A 30 3.182 9.971 -4.727 1.00 0.00 C ATOM 469 NH1 ARG A 30 2.303 10.110 -3.745 1.00 0.00 N ATOM 470 NH2 ARG A 30 3.942 11.000 -5.081 1.00 0.00 N ATOM 0 H ARG A 30 3.765 3.619 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 30 1.492 3.299 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.914 5.453 -5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.167 5.010 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.834 6.246 -6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.502 6.783 -7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.447 7.886 -5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.732 7.306 -4.013 1.00 0.00 H new ATOM 0 HE ARG A 30 3.988 8.734 -6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.716 9.322 -3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.213 11.005 -3.264 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.619 10.898 -5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.849 11.893 -4.597 1.00 0.00 H new ATOM 484 N PHE A 31 3.727 4.785 -8.271 1.00 0.00 N ATOM 485 CA PHE A 31 4.035 5.200 -9.634 1.00 0.00 C ATOM 486 C PHE A 31 3.263 4.358 -10.647 1.00 0.00 C ATOM 487 O PHE A 31 2.728 4.879 -11.626 1.00 0.00 O ATOM 488 CB PHE A 31 5.537 5.084 -9.898 1.00 0.00 C ATOM 489 CG PHE A 31 6.366 6.021 -9.067 1.00 0.00 C ATOM 490 CD1 PHE A 31 5.964 7.332 -8.868 1.00 0.00 C ATOM 491 CD2 PHE A 31 7.547 5.591 -8.484 1.00 0.00 C ATOM 492 CE1 PHE A 31 6.724 8.197 -8.103 1.00 0.00 C ATOM 493 CE2 PHE A 31 8.311 6.451 -7.717 1.00 0.00 C ATOM 494 CZ PHE A 31 7.899 7.756 -7.528 1.00 0.00 C ATOM 0 H PHE A 31 4.524 4.802 -7.635 1.00 0.00 H new ATOM 0 HA PHE A 31 3.732 6.241 -9.747 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.854 4.060 -9.702 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.729 5.280 -10.953 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.046 7.682 -9.316 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.875 4.572 -8.630 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.399 9.216 -7.955 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.229 6.103 -7.266 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.495 8.430 -6.931 1.00 0.00 H new ATOM 504 N LYS A 32 3.209 3.053 -10.403 1.00 0.00 N ATOM 505 CA LYS A 32 2.503 2.137 -11.291 1.00 0.00 C ATOM 506 C LYS A 32 1.331 1.478 -10.572 1.00 0.00 C ATOM 507 O LYS A 32 0.349 1.081 -11.200 1.00 0.00 O ATOM 508 CB LYS A 32 3.460 1.066 -11.818 1.00 0.00 C ATOM 509 CG LYS A 32 3.824 0.014 -10.785 1.00 0.00 C ATOM 510 CD LYS A 32 5.083 0.392 -10.023 1.00 0.00 C ATOM 511 CE LYS A 32 6.336 0.073 -10.823 1.00 0.00 C ATOM 512 NZ LYS A 32 7.576 0.414 -10.073 1.00 0.00 N ATOM 0 H LYS A 32 3.646 2.606 -9.597 1.00 0.00 H new ATOM 0 HA LYS A 32 2.114 2.712 -12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.005 0.576 -12.679 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.372 1.548 -12.171 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.998 -0.111 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.971 -0.946 -11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.061 1.456 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.110 -0.144 -9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.345 -0.987 -11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.317 0.625 -11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.407 0.181 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.580 1.431 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.608 -0.131 -9.188 1.00 0.00 H new ATOM 526 N ALA A 33 1.440 1.365 -9.252 1.00 0.00 N ATOM 527 CA ALA A 33 0.387 0.757 -8.448 1.00 0.00 C ATOM 528 C ALA A 33 0.129 -0.683 -8.880 1.00 0.00 C ATOM 529 O ALA A 33 -1.011 -1.067 -9.141 1.00 0.00 O ATOM 530 CB ALA A 33 -0.891 1.576 -8.545 1.00 0.00 C ATOM 0 H ALA A 33 2.247 1.687 -8.717 1.00 0.00 H new ATOM 0 HA ALA A 33 0.719 0.744 -7.410 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.669 1.110 -7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.704 2.586 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.217 1.619 -9.584 1.00 0.00 H new ATOM 536 N TYR A 34 1.194 -1.473 -8.953 1.00 0.00 N ATOM 537 CA TYR A 34 1.082 -2.870 -9.357 1.00 0.00 C ATOM 538 C TYR A 34 2.298 -3.669 -8.897 1.00 0.00 C ATOM 539 O TYR A 34 3.388 -3.569 -9.461 1.00 0.00 O ATOM 540 CB TYR A 34 0.934 -2.974 -10.875 1.00 0.00 C ATOM 541 CG TYR A 34 -0.424 -2.544 -11.382 1.00 0.00 C ATOM 542 CD1 TYR A 34 -1.567 -3.267 -11.065 1.00 0.00 C ATOM 543 CD2 TYR A 34 -0.564 -1.415 -12.180 1.00 0.00 C ATOM 544 CE1 TYR A 34 -2.810 -2.879 -11.526 1.00 0.00 C ATOM 545 CE2 TYR A 34 -1.803 -1.018 -12.644 1.00 0.00 C ATOM 546 CZ TYR A 34 -2.923 -1.753 -12.315 1.00 0.00 C ATOM 547 OH TYR A 34 -4.158 -1.362 -12.777 1.00 0.00 O ATOM 0 H TYR A 34 2.144 -1.171 -8.738 1.00 0.00 H new ATOM 0 HA TYR A 34 0.194 -3.289 -8.883 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.700 -2.361 -11.349 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.117 -4.004 -11.180 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.482 -4.149 -10.447 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.311 -0.838 -12.442 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.688 -3.454 -11.270 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.894 -0.137 -13.261 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.858 -1.830 -12.276 1.00 0.00 H new ATOM 557 N PRO A 35 2.109 -4.481 -7.847 1.00 0.00 N ATOM 558 CA PRO A 35 3.177 -5.314 -7.287 1.00 0.00 C ATOM 559 C PRO A 35 3.573 -6.453 -8.221 1.00 0.00 C ATOM 560 O PRO A 35 2.873 -6.746 -9.190 1.00 0.00 O ATOM 561 CB PRO A 35 2.559 -5.868 -6.001 1.00 0.00 C ATOM 562 CG PRO A 35 1.089 -5.843 -6.246 1.00 0.00 C ATOM 563 CD PRO A 35 0.836 -4.649 -7.125 1.00 0.00 C ATOM 0 HA PRO A 35 4.093 -4.747 -7.125 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.909 -6.880 -5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.827 -5.258 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.758 -6.762 -6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.538 -5.761 -5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.006 -4.823 -7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.586 -3.764 -6.539 1.00 0.00 H new ATOM 571 N SER A 36 4.701 -7.091 -7.923 1.00 0.00 N ATOM 572 CA SER A 36 5.192 -8.196 -8.739 1.00 0.00 C ATOM 573 C SER A 36 4.962 -9.532 -8.039 1.00 0.00 C ATOM 574 O SER A 36 4.922 -9.602 -6.811 1.00 0.00 O ATOM 575 CB SER A 36 6.681 -8.014 -9.038 1.00 0.00 C ATOM 576 OG SER A 36 7.058 -8.727 -10.203 1.00 0.00 O ATOM 0 H SER A 36 5.291 -6.862 -7.123 1.00 0.00 H new ATOM 0 HA SER A 36 4.638 -8.197 -9.677 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.902 -6.955 -9.169 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.271 -8.360 -8.189 1.00 0.00 H new ATOM 0 HG SER A 36 8.014 -8.593 -10.374 1.00 0.00 H new ATOM 582 N GLU A 37 4.810 -10.589 -8.830 1.00 0.00 N ATOM 583 CA GLU A 37 4.583 -11.923 -8.287 1.00 0.00 C ATOM 584 C GLU A 37 5.348 -12.116 -6.981 1.00 0.00 C ATOM 585 O GLU A 37 4.902 -12.837 -6.089 1.00 0.00 O ATOM 586 CB GLU A 37 5.005 -12.989 -9.300 1.00 0.00 C ATOM 587 CG GLU A 37 4.170 -12.987 -10.570 1.00 0.00 C ATOM 588 CD GLU A 37 2.834 -13.682 -10.391 1.00 0.00 C ATOM 589 OE1 GLU A 37 2.798 -14.737 -9.725 1.00 0.00 O ATOM 590 OE2 GLU A 37 1.825 -13.169 -10.918 1.00 0.00 O ATOM 0 H GLU A 37 4.840 -10.548 -9.849 1.00 0.00 H new ATOM 0 HA GLU A 37 3.517 -12.028 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.051 -12.834 -9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.936 -13.971 -8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.000 -11.958 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.727 -13.479 -11.367 1.00 0.00 H new ATOM 597 N GLU A 38 6.504 -11.467 -6.877 1.00 0.00 N ATOM 598 CA GLU A 38 7.332 -11.568 -5.681 1.00 0.00 C ATOM 599 C GLU A 38 6.780 -10.689 -4.562 1.00 0.00 C ATOM 600 O GLU A 38 6.641 -11.133 -3.423 1.00 0.00 O ATOM 601 CB GLU A 38 8.774 -11.167 -5.996 1.00 0.00 C ATOM 602 CG GLU A 38 9.628 -12.316 -6.506 1.00 0.00 C ATOM 603 CD GLU A 38 11.106 -12.104 -6.245 1.00 0.00 C ATOM 604 OE1 GLU A 38 11.476 -11.887 -5.072 1.00 0.00 O ATOM 605 OE2 GLU A 38 11.894 -12.155 -7.213 1.00 0.00 O ATOM 0 H GLU A 38 6.888 -10.866 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 38 7.317 -12.605 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.766 -10.372 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.233 -10.756 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.308 -13.242 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.466 -12.437 -7.577 1.00 0.00 H new ATOM 612 N GLU A 39 6.470 -9.441 -4.896 1.00 0.00 N ATOM 613 CA GLU A 39 5.936 -8.499 -3.920 1.00 0.00 C ATOM 614 C GLU A 39 4.699 -9.071 -3.233 1.00 0.00 C ATOM 615 O GLU A 39 4.620 -9.113 -2.005 1.00 0.00 O ATOM 616 CB GLU A 39 5.589 -7.171 -4.595 1.00 0.00 C ATOM 617 CG GLU A 39 6.764 -6.528 -5.313 1.00 0.00 C ATOM 618 CD GLU A 39 8.029 -6.528 -4.477 1.00 0.00 C ATOM 619 OE1 GLU A 39 8.012 -5.938 -3.376 1.00 0.00 O ATOM 620 OE2 GLU A 39 9.036 -7.116 -4.923 1.00 0.00 O ATOM 0 H GLU A 39 6.579 -9.059 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 39 6.703 -8.324 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.783 -7.336 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.211 -6.479 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.950 -7.060 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.507 -5.502 -5.576 1.00 0.00 H new ATOM 627 N LYS A 40 3.735 -9.511 -4.034 1.00 0.00 N ATOM 628 CA LYS A 40 2.501 -10.081 -3.506 1.00 0.00 C ATOM 629 C LYS A 40 2.799 -11.233 -2.552 1.00 0.00 C ATOM 630 O LYS A 40 2.539 -11.140 -1.352 1.00 0.00 O ATOM 631 CB LYS A 40 1.610 -10.570 -4.650 1.00 0.00 C ATOM 632 CG LYS A 40 1.810 -9.804 -5.946 1.00 0.00 C ATOM 633 CD LYS A 40 0.637 -9.996 -6.893 1.00 0.00 C ATOM 634 CE LYS A 40 0.938 -9.432 -8.274 1.00 0.00 C ATOM 635 NZ LYS A 40 -0.113 -9.797 -9.263 1.00 0.00 N ATOM 0 H LYS A 40 3.784 -9.484 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 40 1.977 -9.301 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.809 -11.627 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.566 -10.489 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.933 -8.743 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.728 -10.138 -6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.404 -11.058 -6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.247 -9.507 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.018 -8.347 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.904 -9.805 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.104 -9.114 -10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.074 -10.751 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.045 -9.781 -8.801 1.00 0.00 H new ATOM 649 N GLN A 41 3.347 -12.317 -3.092 1.00 0.00 N ATOM 650 CA GLN A 41 3.681 -13.486 -2.288 1.00 0.00 C ATOM 651 C GLN A 41 4.363 -13.075 -0.987 1.00 0.00 C ATOM 652 O GLN A 41 4.273 -13.776 0.020 1.00 0.00 O ATOM 653 CB GLN A 41 4.589 -14.432 -3.076 1.00 0.00 C ATOM 654 CG GLN A 41 4.459 -15.888 -2.660 1.00 0.00 C ATOM 655 CD GLN A 41 3.015 -16.332 -2.536 1.00 0.00 C ATOM 656 OE1 GLN A 41 2.363 -16.651 -3.531 1.00 0.00 O ATOM 657 NE2 GLN A 41 2.506 -16.356 -1.309 1.00 0.00 N ATOM 0 H GLN A 41 3.569 -12.410 -4.083 1.00 0.00 H new ATOM 0 HA GLN A 41 2.754 -14.004 -2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.357 -14.344 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.625 -14.118 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.967 -16.517 -3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.964 -16.036 -1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.082 -16.083 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.539 -16.647 -1.163 1.00 0.00 H new ATOM 666 N MET A 42 5.044 -11.934 -1.016 1.00 0.00 N ATOM 667 CA MET A 42 5.740 -11.430 0.162 1.00 0.00 C ATOM 668 C MET A 42 4.764 -10.761 1.125 1.00 0.00 C ATOM 669 O MET A 42 4.765 -11.046 2.323 1.00 0.00 O ATOM 670 CB MET A 42 6.830 -10.438 -0.249 1.00 0.00 C ATOM 671 CG MET A 42 7.224 -9.475 0.858 1.00 0.00 C ATOM 672 SD MET A 42 8.361 -8.195 0.293 1.00 0.00 S ATOM 673 CE MET A 42 7.221 -7.036 -0.457 1.00 0.00 C ATOM 0 H MET A 42 5.129 -11.341 -1.842 1.00 0.00 H new ATOM 0 HA MET A 42 6.202 -12.276 0.670 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.713 -10.992 -0.568 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.484 -9.867 -1.110 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.327 -9.006 1.263 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.687 -10.033 1.672 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.782 -6.250 -0.962 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.595 -7.558 -1.181 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.591 -6.594 0.315 1.00 0.00 H new ATOM 683 N LEU A 43 3.934 -9.869 0.594 1.00 0.00 N ATOM 684 CA LEU A 43 2.953 -9.159 1.407 1.00 0.00 C ATOM 685 C LEU A 43 1.951 -10.130 2.024 1.00 0.00 C ATOM 686 O LEU A 43 1.571 -9.990 3.186 1.00 0.00 O ATOM 687 CB LEU A 43 2.218 -8.119 0.561 1.00 0.00 C ATOM 688 CG LEU A 43 3.099 -7.114 -0.183 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.374 -6.571 -1.405 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.512 -5.979 0.742 1.00 0.00 C ATOM 0 H LEU A 43 3.921 -9.621 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 43 3.484 -8.653 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.603 -8.644 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.539 -7.566 1.210 1.00 0.00 H new ATOM 0 HG LEU A 43 4.000 -7.628 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.016 -5.858 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.129 -7.393 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.456 -6.073 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.138 -5.274 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.623 -5.466 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.071 -6.383 1.586 1.00 0.00 H new ATOM 702 N SER A 44 1.529 -11.115 1.237 1.00 0.00 N ATOM 703 CA SER A 44 0.570 -12.109 1.706 1.00 0.00 C ATOM 704 C SER A 44 1.026 -12.725 3.024 1.00 0.00 C ATOM 705 O SER A 44 0.218 -13.251 3.788 1.00 0.00 O ATOM 706 CB SER A 44 0.385 -13.205 0.654 1.00 0.00 C ATOM 707 OG SER A 44 -0.001 -14.428 1.256 1.00 0.00 O ATOM 0 H SER A 44 1.836 -11.246 0.273 1.00 0.00 H new ATOM 0 HA SER A 44 -0.384 -11.608 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.371 -12.897 -0.068 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.315 -13.345 0.102 1.00 0.00 H new ATOM 0 HG SER A 44 -0.908 -14.662 0.969 1.00 0.00 H new ATOM 713 N GLU A 45 2.329 -12.656 3.283 1.00 0.00 N ATOM 714 CA GLU A 45 2.893 -13.208 4.509 1.00 0.00 C ATOM 715 C GLU A 45 2.652 -12.272 5.689 1.00 0.00 C ATOM 716 O GLU A 45 2.337 -12.715 6.794 1.00 0.00 O ATOM 717 CB GLU A 45 4.394 -13.456 4.339 1.00 0.00 C ATOM 718 CG GLU A 45 4.724 -14.472 3.259 1.00 0.00 C ATOM 719 CD GLU A 45 6.174 -14.914 3.298 1.00 0.00 C ATOM 720 OE1 GLU A 45 7.056 -14.041 3.438 1.00 0.00 O ATOM 721 OE2 GLU A 45 6.427 -16.132 3.189 1.00 0.00 O ATOM 0 H GLU A 45 3.012 -12.224 2.661 1.00 0.00 H new ATOM 0 HA GLU A 45 2.395 -14.156 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.885 -12.512 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.807 -13.799 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.079 -15.343 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.505 -14.042 2.282 1.00 0.00 H new ATOM 728 N LYS A 46 2.801 -10.974 5.448 1.00 0.00 N ATOM 729 CA LYS A 46 2.599 -9.973 6.488 1.00 0.00 C ATOM 730 C LYS A 46 1.113 -9.745 6.743 1.00 0.00 C ATOM 731 O LYS A 46 0.682 -9.612 7.889 1.00 0.00 O ATOM 732 CB LYS A 46 3.268 -8.654 6.093 1.00 0.00 C ATOM 733 CG LYS A 46 4.752 -8.789 5.798 1.00 0.00 C ATOM 734 CD LYS A 46 5.208 -7.776 4.761 1.00 0.00 C ATOM 735 CE LYS A 46 5.672 -6.482 5.413 1.00 0.00 C ATOM 736 NZ LYS A 46 5.683 -5.348 4.448 1.00 0.00 N ATOM 0 H LYS A 46 3.061 -10.590 4.540 1.00 0.00 H new ATOM 0 HA LYS A 46 3.054 -10.343 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.766 -8.251 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.130 -7.931 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.321 -8.651 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.963 -9.797 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.021 -8.199 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.390 -7.565 4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.016 -6.241 6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.673 -6.620 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.651 -5.199 4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.055 -5.567 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.350 -4.485 4.923 1.00 0.00 H new ATOM 750 N THR A 47 0.332 -9.704 5.668 1.00 0.00 N ATOM 751 CA THR A 47 -1.106 -9.493 5.775 1.00 0.00 C ATOM 752 C THR A 47 -1.838 -10.807 6.022 1.00 0.00 C ATOM 753 O THR A 47 -2.917 -10.826 6.612 1.00 0.00 O ATOM 754 CB THR A 47 -1.673 -8.833 4.504 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.507 -9.708 3.382 1.00 0.00 O ATOM 756 CG2 THR A 47 -0.981 -7.507 4.227 1.00 0.00 C ATOM 0 H THR A 47 0.672 -9.814 4.713 1.00 0.00 H new ATOM 0 HA THR A 47 -1.265 -8.827 6.623 1.00 0.00 H new ATOM 0 HB THR A 47 -2.735 -8.644 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.555 -9.777 3.159 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.399 -7.060 3.325 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.135 -6.833 5.070 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.087 -7.676 4.088 1.00 0.00 H new ATOM 764 N ASN A 48 -1.242 -11.905 5.567 1.00 0.00 N ATOM 765 CA ASN A 48 -1.838 -13.225 5.739 1.00 0.00 C ATOM 766 C ASN A 48 -3.013 -13.419 4.786 1.00 0.00 C ATOM 767 O ASN A 48 -3.998 -14.078 5.123 1.00 0.00 O ATOM 768 CB ASN A 48 -2.302 -13.413 7.184 1.00 0.00 C ATOM 769 CG ASN A 48 -2.387 -14.875 7.578 1.00 0.00 C ATOM 770 OD1 ASN A 48 -1.372 -15.565 7.669 1.00 0.00 O ATOM 771 ND2 ASN A 48 -3.603 -15.355 7.815 1.00 0.00 N ATOM 0 H ASN A 48 -0.348 -11.907 5.077 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.079 -13.972 5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.613 -12.898 7.854 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.279 -12.947 7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.722 -16.332 8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.417 -14.747 7.728 1.00 0.00 H new ATOM 778 N LEU A 49 -2.903 -12.843 3.594 1.00 0.00 N ATOM 779 CA LEU A 49 -3.956 -12.953 2.591 1.00 0.00 C ATOM 780 C LEU A 49 -3.542 -13.899 1.467 1.00 0.00 C ATOM 781 O LEU A 49 -2.482 -14.521 1.526 1.00 0.00 O ATOM 782 CB LEU A 49 -4.287 -11.575 2.016 1.00 0.00 C ATOM 783 CG LEU A 49 -4.465 -10.448 3.035 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.350 -9.092 2.357 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.804 -10.579 3.746 1.00 0.00 C ATOM 0 H LEU A 49 -2.095 -12.295 3.299 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.843 -13.360 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.493 -11.291 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.203 -11.658 1.432 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.672 -10.528 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.479 -8.303 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.367 -8.998 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.121 -9.001 1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.914 -9.769 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.611 -10.526 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.848 -11.536 4.266 1.00 0.00 H new ATOM 797 N SER A 50 -4.384 -13.999 0.444 1.00 0.00 N ATOM 798 CA SER A 50 -4.106 -14.869 -0.692 1.00 0.00 C ATOM 799 C SER A 50 -3.722 -14.051 -1.922 1.00 0.00 C ATOM 800 O SER A 50 -4.287 -12.986 -2.175 1.00 0.00 O ATOM 801 CB SER A 50 -5.325 -15.740 -1.005 1.00 0.00 C ATOM 802 OG SER A 50 -5.662 -16.560 0.099 1.00 0.00 O ATOM 0 H SER A 50 -5.264 -13.488 0.379 1.00 0.00 H new ATOM 0 HA SER A 50 -3.267 -15.512 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.173 -15.105 -1.263 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.117 -16.363 -1.875 1.00 0.00 H new ATOM 0 HG SER A 50 -6.445 -17.105 -0.125 1.00 0.00 H new ATOM 808 N LEU A 51 -2.757 -14.557 -2.683 1.00 0.00 N ATOM 809 CA LEU A 51 -2.296 -13.874 -3.886 1.00 0.00 C ATOM 810 C LEU A 51 -3.475 -13.376 -4.716 1.00 0.00 C ATOM 811 O LEU A 51 -3.357 -12.401 -5.460 1.00 0.00 O ATOM 812 CB LEU A 51 -1.427 -14.812 -4.727 1.00 0.00 C ATOM 813 CG LEU A 51 -0.028 -15.100 -4.181 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.983 -14.121 -4.759 1.00 0.00 C ATOM 815 CD2 LEU A 51 -0.025 -15.035 -2.660 1.00 0.00 C ATOM 0 H LEU A 51 -2.279 -15.437 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.702 -13.013 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.954 -15.760 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.325 -14.384 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 51 0.258 -16.107 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.973 -14.341 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.001 -14.215 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.700 -13.104 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.979 -15.243 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.333 -14.040 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.719 -15.776 -2.263 1.00 0.00 H new ATOM 827 N LEU A 52 -4.612 -14.049 -4.582 1.00 0.00 N ATOM 828 CA LEU A 52 -5.815 -13.673 -5.317 1.00 0.00 C ATOM 829 C LEU A 52 -6.439 -12.411 -4.731 1.00 0.00 C ATOM 830 O LEU A 52 -6.869 -11.522 -5.465 1.00 0.00 O ATOM 831 CB LEU A 52 -6.830 -14.817 -5.292 1.00 0.00 C ATOM 832 CG LEU A 52 -8.265 -14.450 -5.670 1.00 0.00 C ATOM 833 CD1 LEU A 52 -8.335 -13.994 -7.119 1.00 0.00 C ATOM 834 CD2 LEU A 52 -9.197 -15.629 -5.435 1.00 0.00 C ATOM 0 H LEU A 52 -4.727 -14.858 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.532 -13.470 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.485 -15.597 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.838 -15.247 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.588 -13.625 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.364 -13.737 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.699 -13.120 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.993 -14.798 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.214 -15.349 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.876 -16.474 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.170 -15.910 -4.382 1.00 0.00 H new ATOM 846 N GLN A 53 -6.485 -12.341 -3.404 1.00 0.00 N ATOM 847 CA GLN A 53 -7.055 -11.186 -2.720 1.00 0.00 C ATOM 848 C GLN A 53 -6.129 -9.979 -2.824 1.00 0.00 C ATOM 849 O GLN A 53 -6.586 -8.838 -2.889 1.00 0.00 O ATOM 850 CB GLN A 53 -7.319 -11.517 -1.250 1.00 0.00 C ATOM 851 CG GLN A 53 -8.471 -12.486 -1.042 1.00 0.00 C ATOM 852 CD GLN A 53 -9.044 -12.420 0.360 1.00 0.00 C ATOM 853 OE1 GLN A 53 -10.115 -11.855 0.580 1.00 0.00 O ATOM 854 NE2 GLN A 53 -8.330 -13.000 1.319 1.00 0.00 N ATOM 0 H GLN A 53 -6.135 -13.070 -2.782 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.999 -10.938 -3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.415 -11.942 -0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.530 -10.594 -0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.259 -12.268 -1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.128 -13.501 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.447 -13.457 1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.665 -12.988 2.282 1.00 0.00 H new ATOM 863 N ILE A 54 -4.826 -10.239 -2.839 1.00 0.00 N ATOM 864 CA ILE A 54 -3.836 -9.174 -2.935 1.00 0.00 C ATOM 865 C ILE A 54 -4.060 -8.326 -4.182 1.00 0.00 C ATOM 866 O ILE A 54 -4.461 -7.166 -4.093 1.00 0.00 O ATOM 867 CB ILE A 54 -2.403 -9.738 -2.962 1.00 0.00 C ATOM 868 CG1 ILE A 54 -2.099 -10.481 -1.660 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.397 -8.618 -3.187 1.00 0.00 C ATOM 870 CD1 ILE A 54 -2.166 -9.601 -0.432 1.00 0.00 C ATOM 0 H ILE A 54 -4.432 -11.178 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.956 -8.551 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.322 -10.444 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.806 -11.303 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.105 -10.922 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.389 -9.032 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.604 -8.129 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.477 -7.890 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.940 -10.195 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.440 -8.793 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.167 -9.180 -0.340 1.00 0.00 H new ATOM 882 N SER A 55 -3.801 -8.914 -5.346 1.00 0.00 N ATOM 883 CA SER A 55 -3.972 -8.212 -6.612 1.00 0.00 C ATOM 884 C SER A 55 -5.370 -7.609 -6.714 1.00 0.00 C ATOM 885 O SER A 55 -5.531 -6.451 -7.096 1.00 0.00 O ATOM 886 CB SER A 55 -3.729 -9.165 -7.785 1.00 0.00 C ATOM 887 OG SER A 55 -2.366 -9.162 -8.171 1.00 0.00 O ATOM 0 H SER A 55 -3.472 -9.875 -5.438 1.00 0.00 H new ATOM 0 HA SER A 55 -3.242 -7.404 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.029 -10.175 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.350 -8.871 -8.631 1.00 0.00 H new ATOM 0 HG SER A 55 -2.221 -8.475 -8.855 1.00 0.00 H new ATOM 893 N ASN A 56 -6.377 -8.404 -6.369 1.00 0.00 N ATOM 894 CA ASN A 56 -7.762 -7.950 -6.421 1.00 0.00 C ATOM 895 C ASN A 56 -7.932 -6.633 -5.669 1.00 0.00 C ATOM 896 O ASN A 56 -8.529 -5.686 -6.181 1.00 0.00 O ATOM 897 CB ASN A 56 -8.692 -9.011 -5.830 1.00 0.00 C ATOM 898 CG ASN A 56 -8.760 -10.262 -6.685 1.00 0.00 C ATOM 899 OD1 ASN A 56 -9.569 -11.226 -6.260 1.00 0.00 O flip ATOM 900 ND2 ASN A 56 -8.094 -10.359 -7.716 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.260 -9.366 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.025 -7.788 -7.466 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.348 -9.276 -4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.693 -8.593 -5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.486 -9.593 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.151 -11.206 -8.282 1.00 0.00 H new ATOM 907 N TRP A 57 -7.402 -6.582 -4.452 1.00 0.00 N ATOM 908 CA TRP A 57 -7.495 -5.381 -3.629 1.00 0.00 C ATOM 909 C TRP A 57 -6.880 -4.183 -4.344 1.00 0.00 C ATOM 910 O TRP A 57 -7.481 -3.110 -4.407 1.00 0.00 O ATOM 911 CB TRP A 57 -6.796 -5.603 -2.287 1.00 0.00 C ATOM 912 CG TRP A 57 -6.548 -4.334 -1.529 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.417 -3.698 -0.689 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.353 -3.546 -1.543 1.00 0.00 C ATOM 915 NE1 TRP A 57 -6.834 -2.562 -0.181 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.567 -2.447 -0.689 1.00 0.00 C ATOM 917 CE3 TRP A 57 -4.121 -3.663 -2.194 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.596 -1.473 -0.471 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.159 -2.696 -1.976 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.400 -1.613 -1.120 1.00 0.00 C ATOM 0 H TRP A 57 -6.904 -7.357 -4.014 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.550 -5.172 -3.451 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.403 -6.270 -1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.845 -6.106 -2.460 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.416 -4.038 -0.458 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.273 -1.910 0.469 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.925 -4.494 -2.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -4.781 -0.637 0.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.204 -2.776 -2.474 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.626 -0.874 -0.970 1.00 0.00 H new ATOM 931 N PHE A 58 -5.680 -4.371 -4.882 1.00 0.00 N ATOM 932 CA PHE A 58 -4.984 -3.305 -5.592 1.00 0.00 C ATOM 933 C PHE A 58 -5.875 -2.700 -6.674 1.00 0.00 C ATOM 934 O PHE A 58 -5.778 -1.512 -6.980 1.00 0.00 O ATOM 935 CB PHE A 58 -3.693 -3.837 -6.218 1.00 0.00 C ATOM 936 CG PHE A 58 -2.516 -3.800 -5.286 1.00 0.00 C ATOM 937 CD1 PHE A 58 -1.744 -2.655 -5.169 1.00 0.00 C ATOM 938 CD2 PHE A 58 -2.181 -4.909 -4.527 1.00 0.00 C ATOM 939 CE1 PHE A 58 -0.660 -2.618 -4.313 1.00 0.00 C ATOM 940 CE2 PHE A 58 -1.098 -4.878 -3.668 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.337 -3.731 -3.561 1.00 0.00 C ATOM 0 H PHE A 58 -5.169 -5.253 -4.840 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.736 -2.525 -4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.854 -4.864 -6.547 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.461 -3.251 -7.107 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.993 -1.782 -5.754 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.773 -5.809 -4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.066 -1.720 -4.232 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.848 -5.750 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.509 -3.704 -2.891 1.00 0.00 H new ATOM 951 N ILE A 59 -6.741 -3.528 -7.249 1.00 0.00 N ATOM 952 CA ILE A 59 -7.650 -3.075 -8.295 1.00 0.00 C ATOM 953 C ILE A 59 -8.483 -1.888 -7.825 1.00 0.00 C ATOM 954 O ILE A 59 -8.268 -0.756 -8.254 1.00 0.00 O ATOM 955 CB ILE A 59 -8.594 -4.205 -8.748 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.787 -5.411 -9.231 1.00 0.00 C ATOM 957 CG2 ILE A 59 -9.524 -3.709 -9.845 1.00 0.00 C ATOM 958 CD1 ILE A 59 -8.643 -6.600 -9.605 1.00 0.00 C ATOM 0 H ILE A 59 -6.832 -4.515 -7.009 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.032 -2.769 -9.139 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.200 -4.515 -7.897 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.191 -5.117 -10.095 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.089 -5.708 -8.448 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.185 -4.518 -10.155 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.120 -2.878 -9.468 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.934 -3.375 -10.699 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.004 -7.418 -9.938 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.220 -6.920 -8.737 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.323 -6.320 -10.409 1.00 0.00 H new ATOM 970 N ASN A 60 -9.436 -2.156 -6.937 1.00 0.00 N ATOM 971 CA ASN A 60 -10.302 -1.110 -6.406 1.00 0.00 C ATOM 972 C ASN A 60 -9.522 -0.171 -5.491 1.00 0.00 C ATOM 973 O ASN A 60 -9.949 0.953 -5.229 1.00 0.00 O ATOM 974 CB ASN A 60 -11.474 -1.728 -5.642 1.00 0.00 C ATOM 975 CG ASN A 60 -12.654 -2.037 -6.544 1.00 0.00 C ATOM 976 OD1 ASN A 60 -13.653 -1.318 -6.546 1.00 0.00 O ATOM 977 ND2 ASN A 60 -12.543 -3.113 -7.315 1.00 0.00 N ATOM 0 H ASN A 60 -9.627 -3.088 -6.571 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.689 -0.532 -7.245 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.143 -2.645 -5.154 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.791 -1.045 -4.854 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.305 -3.372 -7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.696 -3.680 -7.280 1.00 0.00 H new ATOM 984 N ALA A 61 -8.376 -0.640 -5.009 1.00 0.00 N ATOM 985 CA ALA A 61 -7.535 0.158 -4.125 1.00 0.00 C ATOM 986 C ALA A 61 -6.696 1.154 -4.918 1.00 0.00 C ATOM 987 O ALA A 61 -6.319 2.209 -4.406 1.00 0.00 O ATOM 988 CB ALA A 61 -6.638 -0.745 -3.292 1.00 0.00 C ATOM 0 H ALA A 61 -8.008 -1.569 -5.216 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.186 0.722 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.016 -0.135 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.253 -1.413 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.001 -1.334 -3.952 1.00 0.00 H new ATOM 994 N ARG A 62 -6.406 0.813 -6.169 1.00 0.00 N ATOM 995 CA ARG A 62 -5.609 1.677 -7.032 1.00 0.00 C ATOM 996 C ARG A 62 -6.459 2.809 -7.601 1.00 0.00 C ATOM 997 O ARG A 62 -5.932 3.787 -8.132 1.00 0.00 O ATOM 998 CB ARG A 62 -4.992 0.865 -8.172 1.00 0.00 C ATOM 999 CG ARG A 62 -4.153 1.698 -9.128 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.723 0.888 -10.341 1.00 0.00 C ATOM 1001 NE ARG A 62 -4.729 0.912 -11.400 1.00 0.00 N ATOM 1002 CZ ARG A 62 -4.959 1.968 -12.172 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -4.258 3.080 -12.005 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -5.892 1.912 -13.114 1.00 0.00 N ATOM 0 H ARG A 62 -6.711 -0.056 -6.608 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.810 2.112 -6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.370 0.076 -7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.789 0.377 -8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.725 2.567 -9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.271 2.073 -8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.782 1.283 -10.725 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.537 -0.143 -10.041 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.285 0.071 -11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.540 3.126 -11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.437 3.890 -12.599 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.433 1.057 -13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.068 2.723 -13.706 1.00 0.00 H new ATOM 1018 N ARG A 63 -7.775 2.669 -7.487 1.00 0.00 N ATOM 1019 CA ARG A 63 -8.698 3.679 -7.992 1.00 0.00 C ATOM 1020 C ARG A 63 -9.296 4.490 -6.846 1.00 0.00 C ATOM 1021 O ARG A 63 -10.031 5.452 -7.071 1.00 0.00 O ATOM 1022 CB ARG A 63 -9.815 3.020 -8.802 1.00 0.00 C ATOM 1023 CG ARG A 63 -10.802 2.235 -7.953 1.00 0.00 C ATOM 1024 CD ARG A 63 -11.760 1.428 -8.816 1.00 0.00 C ATOM 1025 NE ARG A 63 -11.053 0.552 -9.747 1.00 0.00 N ATOM 1026 CZ ARG A 63 -11.579 0.111 -10.884 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -12.810 0.462 -11.229 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -10.873 -0.683 -11.678 1.00 0.00 N ATOM 0 H ARG A 63 -8.227 1.866 -7.049 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.139 4.355 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.355 3.790 -9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.371 2.351 -9.540 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.258 1.565 -7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.368 2.921 -7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.408 0.829 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.404 2.107 -9.375 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.104 0.263 -9.511 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.356 1.072 -10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.211 0.122 -12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.926 -0.955 -11.415 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.277 -1.021 -12.551 1.00 0.00 H new ATOM 1042 N ARG A 64 -8.976 4.095 -5.618 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.483 4.784 -4.437 1.00 0.00 C ATOM 1044 C ARG A 64 -8.338 5.209 -3.522 1.00 0.00 C ATOM 1045 O ARG A 64 -8.329 6.324 -3.000 1.00 0.00 O ATOM 1046 CB ARG A 64 -10.454 3.883 -3.673 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.406 4.645 -2.766 1.00 0.00 C ATOM 1048 CD ARG A 64 -12.190 3.704 -1.864 1.00 0.00 C ATOM 1049 NE ARG A 64 -11.368 3.175 -0.778 1.00 0.00 N ATOM 1050 CZ ARG A 64 -11.796 2.269 0.093 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -13.030 1.792 0.007 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -10.988 1.837 1.053 1.00 0.00 N ATOM 0 H ARG A 64 -8.368 3.302 -5.415 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.012 5.678 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.035 3.300 -4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.883 3.174 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.842 5.350 -2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.098 5.230 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.047 4.233 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.583 2.878 -2.456 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.413 3.521 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.654 2.121 -0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.356 1.096 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.038 2.201 1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.317 1.141 1.722 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.376 4.313 -3.332 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.227 4.595 -2.481 1.00 0.00 C ATOM 1068 C ILE A 65 -5.158 5.375 -3.241 1.00 0.00 C ATOM 1069 O ILE A 65 -4.888 6.537 -2.936 1.00 0.00 O ATOM 1070 CB ILE A 65 -5.605 3.300 -1.927 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -6.700 2.360 -1.418 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.616 3.621 -0.816 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.163 1.114 -0.749 1.00 0.00 C ATOM 0 H ILE A 65 -7.369 3.385 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.591 5.198 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.067 2.799 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.331 2.899 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.335 2.069 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.185 2.696 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.822 4.257 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.132 4.141 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.994 0.494 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.556 0.553 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.551 1.396 0.108 1.00 0.00 H new ATOM 1085 N LEU A 66 -4.555 4.728 -4.232 1.00 0.00 N ATOM 1086 CA LEU A 66 -3.516 5.361 -5.038 1.00 0.00 C ATOM 1087 C LEU A 66 -3.807 6.845 -5.233 1.00 0.00 C ATOM 1088 O LEU A 66 -2.977 7.708 -4.948 1.00 0.00 O ATOM 1089 CB LEU A 66 -3.406 4.668 -6.397 1.00 0.00 C ATOM 1090 CG LEU A 66 -2.695 5.458 -7.497 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.240 5.697 -7.127 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -2.796 4.728 -8.828 1.00 0.00 C ATOM 0 H LEU A 66 -4.767 3.766 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.568 5.262 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.881 3.723 -6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.411 4.427 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.186 6.426 -7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.750 6.260 -7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.189 6.263 -6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.736 4.739 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.285 5.305 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.331 3.746 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.845 4.610 -9.099 1.00 0.00 H new ATOM 1104 N PRO A 67 -5.015 7.152 -5.728 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.445 8.532 -5.970 1.00 0.00 C ATOM 1106 C PRO A 67 -5.672 9.304 -4.674 1.00 0.00 C ATOM 1107 O PRO A 67 -5.477 10.518 -4.621 1.00 0.00 O ATOM 1108 CB PRO A 67 -6.762 8.366 -6.731 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.272 7.028 -6.319 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.055 6.174 -6.091 1.00 0.00 C ATOM 0 HA PRO A 67 -4.693 9.104 -6.513 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.469 9.155 -6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.605 8.415 -7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.873 7.101 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.911 6.599 -7.091 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.218 5.447 -5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.784 5.613 -6.986 1.00 0.00 H new ATOM 1118 N ASP A 68 -6.085 8.591 -3.632 1.00 0.00 N ATOM 1119 CA ASP A 68 -6.338 9.209 -2.335 1.00 0.00 C ATOM 1120 C ASP A 68 -5.029 9.598 -1.655 1.00 0.00 C ATOM 1121 O ASP A 68 -4.984 10.545 -0.869 1.00 0.00 O ATOM 1122 CB ASP A 68 -7.130 8.257 -1.438 1.00 0.00 C ATOM 1123 CG ASP A 68 -7.214 8.746 -0.006 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -7.772 9.841 0.216 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -6.722 8.033 0.894 1.00 0.00 O ATOM 0 H ASP A 68 -6.252 7.585 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.925 10.113 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.137 8.139 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.663 7.273 -1.456 1.00 0.00 H new ATOM 1130 N MET A 69 -3.967 8.861 -1.961 1.00 0.00 N ATOM 1131 CA MET A 69 -2.657 9.129 -1.378 1.00 0.00 C ATOM 1132 C MET A 69 -1.854 10.080 -2.261 1.00 0.00 C ATOM 1133 O MET A 69 -1.048 10.870 -1.767 1.00 0.00 O ATOM 1134 CB MET A 69 -1.885 7.823 -1.181 1.00 0.00 C ATOM 1135 CG MET A 69 -1.515 7.134 -2.484 1.00 0.00 C ATOM 1136 SD MET A 69 -0.523 5.650 -2.228 1.00 0.00 S ATOM 1137 CE MET A 69 -1.566 4.737 -1.094 1.00 0.00 C ATOM 0 H MET A 69 -3.987 8.074 -2.609 1.00 0.00 H new ATOM 0 HA MET A 69 -2.809 9.602 -0.408 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.975 8.030 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.486 7.143 -0.578 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.425 6.869 -3.022 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.963 7.831 -3.115 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.076 4.670 -0.123 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.521 5.251 -0.984 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.737 3.734 -1.484 1.00 0.00 H new ATOM 1147 N LEU A 70 -2.078 9.998 -3.568 1.00 0.00 N ATOM 1148 CA LEU A 70 -1.375 10.851 -4.519 1.00 0.00 C ATOM 1149 C LEU A 70 -1.728 12.319 -4.299 1.00 0.00 C ATOM 1150 O LEU A 70 -0.849 13.180 -4.276 1.00 0.00 O ATOM 1151 CB LEU A 70 -1.720 10.442 -5.952 1.00 0.00 C ATOM 1152 CG LEU A 70 -0.804 9.398 -6.591 1.00 0.00 C ATOM 1153 CD1 LEU A 70 -1.423 8.855 -7.870 1.00 0.00 C ATOM 1154 CD2 LEU A 70 0.569 9.993 -6.872 1.00 0.00 C ATOM 0 H LEU A 70 -2.741 9.350 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.304 10.726 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.740 10.057 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.710 11.336 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.684 8.572 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.757 8.113 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.382 8.391 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.574 9.671 -8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.208 9.236 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.467 10.838 -7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.017 10.332 -5.938 1.00 0.00 H new ATOM 1166 N GLN A 71 -3.017 12.594 -4.135 1.00 0.00 N ATOM 1167 CA GLN A 71 -3.485 13.958 -3.914 1.00 0.00 C ATOM 1168 C GLN A 71 -2.843 14.558 -2.668 1.00 0.00 C ATOM 1169 O GLN A 71 -2.576 15.758 -2.613 1.00 0.00 O ATOM 1170 CB GLN A 71 -5.008 13.981 -3.779 1.00 0.00 C ATOM 1171 CG GLN A 71 -5.515 13.357 -2.489 1.00 0.00 C ATOM 1172 CD GLN A 71 -5.525 14.336 -1.331 1.00 0.00 C ATOM 1173 OE1 GLN A 71 -4.927 15.410 -1.406 1.00 0.00 O ATOM 1174 NE2 GLN A 71 -6.206 13.970 -0.252 1.00 0.00 N ATOM 0 H GLN A 71 -3.756 11.891 -4.151 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.195 14.559 -4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.353 15.013 -3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.447 13.453 -4.625 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.524 12.976 -2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.888 12.503 -2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.687 13.071 -0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.248 14.588 0.558 1.00 0.00 H new ATOM 1183 N GLN A 72 -2.597 13.715 -1.670 1.00 0.00 N ATOM 1184 CA GLN A 72 -1.988 14.164 -0.424 1.00 0.00 C ATOM 1185 C GLN A 72 -0.582 14.702 -0.669 1.00 0.00 C ATOM 1186 O GLN A 72 0.152 14.187 -1.512 1.00 0.00 O ATOM 1187 CB GLN A 72 -1.939 13.017 0.587 1.00 0.00 C ATOM 1188 CG GLN A 72 -3.181 12.920 1.457 1.00 0.00 C ATOM 1189 CD GLN A 72 -3.290 14.060 2.450 1.00 0.00 C ATOM 1190 OE1 GLN A 72 -2.309 14.432 3.095 1.00 0.00 O ATOM 1191 NE2 GLN A 72 -4.486 14.622 2.579 1.00 0.00 N ATOM 0 H GLN A 72 -2.810 12.718 -1.700 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.600 14.970 -0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.806 12.077 0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.066 13.145 1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.066 12.912 0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.168 11.973 1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.272 14.282 2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.619 15.394 3.233 1.00 0.00 H new ATOM 1200 N ARG A 73 -0.213 15.741 0.074 1.00 0.00 N ATOM 1201 CA ARG A 73 1.105 16.350 -0.064 1.00 0.00 C ATOM 1202 C ARG A 73 2.204 15.298 0.052 1.00 0.00 C ATOM 1203 O ARG A 73 1.936 14.138 0.365 1.00 0.00 O ATOM 1204 CB ARG A 73 1.304 17.432 0.999 1.00 0.00 C ATOM 1205 CG ARG A 73 1.203 16.912 2.423 1.00 0.00 C ATOM 1206 CD ARG A 73 1.631 17.965 3.433 1.00 0.00 C ATOM 1207 NE ARG A 73 1.317 17.570 4.803 1.00 0.00 N ATOM 1208 CZ ARG A 73 1.947 16.596 5.450 1.00 0.00 C ATOM 1209 NH1 ARG A 73 2.920 15.921 4.853 1.00 0.00 N ATOM 1210 NH2 ARG A 73 1.604 16.295 6.696 1.00 0.00 N ATOM 0 H ARG A 73 -0.808 16.178 0.777 1.00 0.00 H new ATOM 0 HA ARG A 73 1.166 16.806 -1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.282 17.893 0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.559 18.214 0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.177 16.606 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.828 16.026 2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.703 18.139 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.135 18.908 3.205 1.00 0.00 H new ATOM 0 HE ARG A 73 0.573 18.069 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.186 16.149 3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.402 15.173 5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.856 16.812 7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.089 15.547 7.192 1.00 0.00 H new ATOM 1224 N ARG A 74 3.441 15.712 -0.201 1.00 0.00 N ATOM 1225 CA ARG A 74 4.581 14.806 -0.127 1.00 0.00 C ATOM 1226 C ARG A 74 5.776 15.489 0.531 1.00 0.00 C ATOM 1227 O ARG A 74 5.873 16.715 0.544 1.00 0.00 O ATOM 1228 CB ARG A 74 4.964 14.319 -1.525 1.00 0.00 C ATOM 1229 CG ARG A 74 5.689 15.364 -2.357 1.00 0.00 C ATOM 1230 CD ARG A 74 6.687 14.724 -3.309 1.00 0.00 C ATOM 1231 NE ARG A 74 6.088 14.416 -4.605 1.00 0.00 N ATOM 1232 CZ ARG A 74 5.886 15.322 -5.555 1.00 0.00 C ATOM 1233 NH1 ARG A 74 6.234 16.586 -5.355 1.00 0.00 N ATOM 1234 NH2 ARG A 74 5.335 14.965 -6.708 1.00 0.00 N ATOM 0 H ARG A 74 3.680 16.670 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 74 4.293 13.949 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.598 13.437 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.062 14.009 -2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.963 15.945 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.208 16.060 -1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.534 15.395 -3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.077 13.809 -2.864 1.00 0.00 H new ATOM 0 HE ARG A 74 5.810 13.452 -4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.658 16.864 -4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.078 17.280 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.066 13.994 -6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.180 15.662 -7.437 1.00 0.00 H new ATOM 1248 N ASN A 75 6.683 14.686 1.077 1.00 0.00 N ATOM 1249 CA ASN A 75 7.872 15.212 1.738 1.00 0.00 C ATOM 1250 C ASN A 75 9.132 14.527 1.218 1.00 0.00 C ATOM 1251 O ASN A 75 9.991 14.112 1.996 1.00 0.00 O ATOM 1252 CB ASN A 75 7.764 15.025 3.253 1.00 0.00 C ATOM 1253 CG ASN A 75 6.935 16.111 3.912 1.00 0.00 C ATOM 1254 OD1 ASN A 75 5.762 15.908 4.224 1.00 0.00 O ATOM 1255 ND2 ASN A 75 7.545 17.271 4.127 1.00 0.00 N ATOM 0 H ASN A 75 6.617 13.668 1.075 1.00 0.00 H new ATOM 0 HA ASN A 75 7.940 16.277 1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.319 14.053 3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.763 15.020 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.039 18.039 4.568 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.519 17.394 3.851 1.00 0.00 H new ATOM 1262 N ASP A 76 9.236 14.414 -0.101 1.00 0.00 N ATOM 1263 CA ASP A 76 10.391 13.781 -0.726 1.00 0.00 C ATOM 1264 C ASP A 76 11.002 14.692 -1.787 1.00 0.00 C ATOM 1265 O ASP A 76 10.342 15.104 -2.741 1.00 0.00 O ATOM 1266 CB ASP A 76 9.991 12.445 -1.353 1.00 0.00 C ATOM 1267 CG ASP A 76 9.902 11.329 -0.330 1.00 0.00 C ATOM 1268 OD1 ASP A 76 9.252 11.535 0.717 1.00 0.00 O ATOM 1269 OD2 ASP A 76 10.481 10.251 -0.576 1.00 0.00 O ATOM 0 H ASP A 76 8.534 14.753 -0.759 1.00 0.00 H new ATOM 0 HA ASP A 76 11.138 13.601 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.028 12.555 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.717 12.175 -2.119 1.00 0.00 H new ATOM 1274 N PRO A 77 12.293 15.015 -1.618 1.00 0.00 N ATOM 1275 CA PRO A 77 13.021 15.880 -2.550 1.00 0.00 C ATOM 1276 C PRO A 77 13.264 15.207 -3.897 1.00 0.00 C ATOM 1277 O PRO A 77 12.838 14.074 -4.121 1.00 0.00 O ATOM 1278 CB PRO A 77 14.349 16.137 -1.833 1.00 0.00 C ATOM 1279 CG PRO A 77 14.525 14.965 -0.931 1.00 0.00 C ATOM 1280 CD PRO A 77 13.141 14.560 -0.504 1.00 0.00 C ATOM 0 HA PRO A 77 12.464 16.788 -2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 77 15.173 16.218 -2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.321 17.070 -1.269 1.00 0.00 H new ATOM 0 HG2 PRO A 77 15.029 14.148 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 77 15.139 15.225 -0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.065 13.483 -0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.856 15.032 0.436 1.00 0.00 H new ATOM 1288 N SER A 78 13.953 15.911 -4.789 1.00 0.00 N ATOM 1289 CA SER A 78 14.250 15.382 -6.115 1.00 0.00 C ATOM 1290 C SER A 78 15.123 14.135 -6.019 1.00 0.00 C ATOM 1291 O SER A 78 16.249 14.187 -5.526 1.00 0.00 O ATOM 1292 CB SER A 78 14.950 16.444 -6.966 1.00 0.00 C ATOM 1293 OG SER A 78 15.099 16.007 -8.306 1.00 0.00 O ATOM 0 H SER A 78 14.316 16.849 -4.618 1.00 0.00 H new ATOM 0 HA SER A 78 13.308 15.109 -6.590 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.375 17.370 -6.944 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.929 16.667 -6.542 1.00 0.00 H new ATOM 0 HG SER A 78 15.906 15.456 -8.383 1.00 0.00 H new ATOM 1299 N GLY A 79 14.594 13.012 -6.496 1.00 0.00 N ATOM 1300 CA GLY A 79 15.338 11.766 -6.455 1.00 0.00 C ATOM 1301 C GLY A 79 16.570 11.796 -7.338 1.00 0.00 C ATOM 1302 O GLY A 79 17.702 11.860 -6.858 1.00 0.00 O ATOM 0 H GLY A 79 13.664 12.943 -6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.636 11.558 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.689 10.949 -6.770 1.00 0.00 H new ATOM 1306 N PRO A 80 16.355 11.749 -8.661 1.00 0.00 N ATOM 1307 CA PRO A 80 17.446 11.769 -9.641 1.00 0.00 C ATOM 1308 C PRO A 80 18.143 13.123 -9.703 1.00 0.00 C ATOM 1309 O PRO A 80 17.694 14.093 -9.093 1.00 0.00 O ATOM 1310 CB PRO A 80 16.738 11.469 -10.965 1.00 0.00 C ATOM 1311 CG PRO A 80 15.334 11.921 -10.754 1.00 0.00 C ATOM 1312 CD PRO A 80 15.032 11.672 -9.302 1.00 0.00 C ATOM 0 HA PRO A 80 18.232 11.056 -9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 80 17.205 12.002 -11.793 1.00 0.00 H new ATOM 0 HB3 PRO A 80 16.780 10.407 -11.205 1.00 0.00 H new ATOM 0 HG2 PRO A 80 15.223 12.977 -11.000 1.00 0.00 H new ATOM 0 HG3 PRO A 80 14.646 11.370 -11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 80 14.347 12.418 -8.900 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.567 10.698 -9.149 1.00 0.00 H new ATOM 1320 N SER A 81 19.245 13.182 -10.446 1.00 0.00 N ATOM 1321 CA SER A 81 20.006 14.418 -10.586 1.00 0.00 C ATOM 1322 C SER A 81 19.822 15.015 -11.977 1.00 0.00 C ATOM 1323 O SER A 81 19.706 14.291 -12.966 1.00 0.00 O ATOM 1324 CB SER A 81 21.491 14.158 -10.323 1.00 0.00 C ATOM 1325 OG SER A 81 21.758 14.084 -8.933 1.00 0.00 O ATOM 0 H SER A 81 19.630 12.389 -10.959 1.00 0.00 H new ATOM 0 HA SER A 81 19.632 15.131 -9.852 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.791 13.227 -10.804 1.00 0.00 H new ATOM 0 HB3 SER A 81 22.087 14.954 -10.769 1.00 0.00 H new ATOM 0 HG SER A 81 22.713 13.916 -8.792 1.00 0.00 H new ATOM 1331 N SER A 82 19.794 16.343 -12.045 1.00 0.00 N ATOM 1332 CA SER A 82 19.620 17.039 -13.314 1.00 0.00 C ATOM 1333 C SER A 82 20.024 18.505 -13.189 1.00 0.00 C ATOM 1334 O SER A 82 19.888 19.110 -12.127 1.00 0.00 O ATOM 1335 CB SER A 82 18.166 16.937 -13.780 1.00 0.00 C ATOM 1336 OG SER A 82 17.278 17.423 -12.789 1.00 0.00 O ATOM 0 H SER A 82 19.890 16.957 -11.236 1.00 0.00 H new ATOM 0 HA SER A 82 20.265 16.564 -14.053 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.035 17.506 -14.701 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.926 15.899 -14.010 1.00 0.00 H new ATOM 0 HG SER A 82 16.356 17.349 -13.111 1.00 0.00 H new ATOM 1342 N GLY A 83 20.522 19.071 -14.285 1.00 0.00 N ATOM 1343 CA GLY A 83 20.939 20.461 -14.278 1.00 0.00 C ATOM 1344 C GLY A 83 21.699 20.844 -15.532 1.00 0.00 C ATOM 1345 O GLY A 83 21.120 20.934 -16.614 1.00 0.00 O ATOM 0 H GLY A 83 20.644 18.592 -15.177 1.00 0.00 H new ATOM 0 HA2 GLY A 83 20.061 21.100 -14.179 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.567 20.645 -13.406 1.00 0.00 H new TER 1349 GLY A 83