USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 843 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 103 HIS : no HD1:sc= -0.178 X(o=-0.32,f=0.012) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.14 X(o=-0.32,f=-0.04) USER MOD Set 2.1: A 80 HIS : no HD1:sc= -1.07 K(o=-2.1,f=0) USER MOD Set 2.2: A 82 HIS : no HD1:sc= -1 K(o=-2.1,f=-0.12) USER MOD Set 3.1: A 2 LYS NZ :NH3+ 175:sc= 1.34 (180deg=0.756) USER MOD Set 3.2: A 70 THR OG1 : rot -145:sc= 0.354 USER MOD Single : A 1 MET CE :methyl -111:sc= -1.55 (180deg=-3.47!) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.18 (180deg=1.12) USER MOD Single : A 4 SER OG : rot 33:sc= -0.846 USER MOD Single : A 7 LYS NZ :NH3+ 133:sc= 1.21 (180deg=0.96) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00123 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 164:sc= -0.104 (180deg=-0.499) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.09) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0258 K(o=-0.026,f=-2.6!) USER MOD Single : A 54 CYS SG : rot 180:sc= -2.97! USER MOD Single : A 55 ASN : amide:sc= 0.0698 K(o=0.07,f=-4.1!) USER MOD Single : A 57 MET CE :methyl -152:sc= -2.43! (180deg=-4.24!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 142:sc= -2.58! (180deg=-4.28!) USER MOD Single : A 64 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.6) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0436 X(o=-0.044,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.961 K(o=-0.96,f=0.084) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.036 -9.467 -3.220 1.00 0.00 N ATOM 2 CA MET A 1 -5.550 -8.787 -4.445 1.00 0.00 C ATOM 3 C MET A 1 -4.380 -7.875 -4.094 1.00 0.00 C ATOM 4 O MET A 1 -4.268 -7.437 -2.958 1.00 0.00 O ATOM 5 CB MET A 1 -6.693 -7.998 -5.105 1.00 0.00 C ATOM 6 CG MET A 1 -6.292 -7.351 -6.417 1.00 0.00 C ATOM 7 SD MET A 1 -7.688 -6.970 -7.494 1.00 0.00 S ATOM 8 CE MET A 1 -8.430 -5.592 -6.628 1.00 0.00 C ATOM 0 H1 MET A 1 -6.905 -9.995 -3.438 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.308 -10.125 -2.876 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.236 -8.758 -2.486 1.00 0.00 H new ATOM 0 HA MET A 1 -5.203 -9.532 -5.161 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.535 -8.668 -5.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.038 -7.226 -4.417 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.745 -6.432 -6.206 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.608 -8.015 -6.945 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.391 -5.897 -6.214 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.772 -5.273 -5.820 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.580 -4.765 -7.322 1.00 0.00 H new ATOM 20 N LYS A 2 -3.499 -7.600 -5.047 1.00 0.00 N ATOM 21 CA LYS A 2 -2.319 -6.786 -4.768 1.00 0.00 C ATOM 22 C LYS A 2 -2.669 -5.312 -4.707 1.00 0.00 C ATOM 23 O LYS A 2 -3.622 -4.860 -5.340 1.00 0.00 O ATOM 24 CB LYS A 2 -1.242 -7.003 -5.836 1.00 0.00 C ATOM 25 CG LYS A 2 -0.267 -8.129 -5.529 1.00 0.00 C ATOM 26 CD LYS A 2 -0.975 -9.443 -5.251 1.00 0.00 C ATOM 27 CE LYS A 2 0.013 -10.551 -4.927 1.00 0.00 C ATOM 28 NZ LYS A 2 0.869 -10.213 -3.759 1.00 0.00 N ATOM 0 H LYS A 2 -3.576 -7.924 -6.011 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.934 -7.099 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.730 -7.211 -6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.680 -6.077 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.414 -8.257 -6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.340 -7.856 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.666 -9.316 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.570 -9.727 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.531 -11.473 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.644 -10.739 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.469 -11.029 -3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.471 -9.398 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.267 -9.976 -2.945 1.00 0.00 H new ATOM 42 N LEU A 3 -1.882 -4.567 -3.944 1.00 0.00 N ATOM 43 CA LEU A 3 -2.011 -3.121 -3.892 1.00 0.00 C ATOM 44 C LEU A 3 -1.657 -2.533 -5.258 1.00 0.00 C ATOM 45 O LEU A 3 -2.197 -1.511 -5.674 1.00 0.00 O ATOM 46 CB LEU A 3 -1.099 -2.564 -2.790 1.00 0.00 C ATOM 47 CG LEU A 3 -1.043 -1.040 -2.659 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.433 -0.453 -2.506 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.182 -0.643 -1.475 1.00 0.00 C ATOM 0 H LEU A 3 -1.144 -4.945 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.038 -2.843 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.425 -2.977 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.087 -2.929 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.601 -0.642 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.362 0.631 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.033 -0.705 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.904 -0.862 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.152 0.444 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.604 -1.063 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.829 -1.024 -1.616 1.00 0.00 H new ATOM 61 N SER A 4 -0.766 -3.221 -5.964 1.00 0.00 N ATOM 62 CA SER A 4 -0.368 -2.822 -7.307 1.00 0.00 C ATOM 63 C SER A 4 -1.436 -3.199 -8.337 1.00 0.00 C ATOM 64 O SER A 4 -1.401 -2.730 -9.475 1.00 0.00 O ATOM 65 CB SER A 4 0.963 -3.482 -7.675 1.00 0.00 C ATOM 66 OG SER A 4 1.430 -3.035 -8.937 1.00 0.00 O ATOM 0 H SER A 4 -0.303 -4.064 -5.624 1.00 0.00 H new ATOM 0 HA SER A 4 -0.253 -1.738 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.706 -3.257 -6.910 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.841 -4.565 -7.693 1.00 0.00 H new ATOM 0 HG SER A 4 1.161 -2.103 -9.074 1.00 0.00 H new ATOM 72 N GLU A 5 -2.384 -4.039 -7.939 1.00 0.00 N ATOM 73 CA GLU A 5 -3.447 -4.466 -8.841 1.00 0.00 C ATOM 74 C GLU A 5 -4.667 -3.569 -8.686 1.00 0.00 C ATOM 75 O GLU A 5 -5.673 -3.747 -9.370 1.00 0.00 O ATOM 76 CB GLU A 5 -3.833 -5.922 -8.587 1.00 0.00 C ATOM 77 CG GLU A 5 -2.703 -6.900 -8.850 1.00 0.00 C ATOM 78 CD GLU A 5 -3.118 -8.339 -8.636 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.654 -8.654 -7.555 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.915 -9.163 -9.550 1.00 0.00 O ATOM 0 H GLU A 5 -2.439 -4.437 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.073 -4.384 -9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.162 -6.028 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.682 -6.181 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.351 -6.776 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.865 -6.666 -8.194 1.00 0.00 H new ATOM 87 N LEU A 6 -4.568 -2.603 -7.786 1.00 0.00 N ATOM 88 CA LEU A 6 -5.661 -1.671 -7.543 1.00 0.00 C ATOM 89 C LEU A 6 -5.725 -0.583 -8.606 1.00 0.00 C ATOM 90 O LEU A 6 -4.917 -0.542 -9.540 1.00 0.00 O ATOM 91 CB LEU A 6 -5.534 -1.039 -6.156 1.00 0.00 C ATOM 92 CG LEU A 6 -5.925 -1.950 -4.995 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.730 -1.248 -3.663 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.362 -2.399 -5.149 1.00 0.00 C ATOM 0 H LEU A 6 -3.741 -2.443 -7.210 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.588 -2.243 -7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.503 -0.716 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.156 -0.145 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.276 -2.826 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.016 -1.919 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.683 -0.967 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.351 -0.353 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.632 -3.048 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.017 -1.528 -5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.474 -2.945 -6.086 1.00 0.00 H new ATOM 106 N LYS A 7 -6.705 0.291 -8.455 1.00 0.00 N ATOM 107 CA LYS A 7 -6.924 1.390 -9.379 1.00 0.00 C ATOM 108 C LYS A 7 -7.134 2.682 -8.600 1.00 0.00 C ATOM 109 O LYS A 7 -7.501 2.646 -7.424 1.00 0.00 O ATOM 110 CB LYS A 7 -8.139 1.104 -10.272 1.00 0.00 C ATOM 111 CG LYS A 7 -8.989 -0.070 -9.802 1.00 0.00 C ATOM 112 CD LYS A 7 -10.266 -0.204 -10.619 1.00 0.00 C ATOM 113 CE LYS A 7 -11.298 0.841 -10.220 1.00 0.00 C ATOM 114 NZ LYS A 7 -11.919 0.534 -8.906 1.00 0.00 N ATOM 0 H LYS A 7 -7.374 0.258 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.046 1.497 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.763 1.997 -10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.793 0.906 -11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.411 -0.991 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.242 0.062 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.033 -0.100 -11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.684 -1.201 -10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.824 1.821 -10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.074 0.895 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.929 1.392 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.894 0.203 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.369 -0.208 -8.427 1.00 0.00 H new ATOM 128 N ALA A 8 -6.892 3.813 -9.251 1.00 0.00 N ATOM 129 CA ALA A 8 -7.045 5.112 -8.610 1.00 0.00 C ATOM 130 C ALA A 8 -8.499 5.343 -8.223 1.00 0.00 C ATOM 131 O ALA A 8 -9.365 5.482 -9.088 1.00 0.00 O ATOM 132 CB ALA A 8 -6.551 6.222 -9.530 1.00 0.00 C ATOM 0 H ALA A 8 -6.589 3.856 -10.224 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.441 5.125 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.673 7.186 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.497 6.062 -9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.129 6.213 -10.454 1.00 0.00 H new ATOM 138 N GLY A 9 -8.761 5.362 -6.926 1.00 0.00 N ATOM 139 CA GLY A 9 -10.113 5.510 -6.440 1.00 0.00 C ATOM 140 C GLY A 9 -10.592 4.278 -5.696 1.00 0.00 C ATOM 141 O GLY A 9 -11.681 4.282 -5.118 1.00 0.00 O ATOM 0 H GLY A 9 -8.053 5.277 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.167 6.375 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.780 5.708 -7.279 1.00 0.00 H new ATOM 145 N ASP A 10 -9.783 3.222 -5.706 1.00 0.00 N ATOM 146 CA ASP A 10 -10.149 1.978 -5.032 1.00 0.00 C ATOM 147 C ASP A 10 -9.852 2.071 -3.545 1.00 0.00 C ATOM 148 O ASP A 10 -8.953 2.805 -3.129 1.00 0.00 O ATOM 149 CB ASP A 10 -9.400 0.777 -5.618 1.00 0.00 C ATOM 150 CG ASP A 10 -10.329 -0.377 -5.912 1.00 0.00 C ATOM 151 OD1 ASP A 10 -10.924 -0.926 -4.965 1.00 0.00 O ATOM 152 OD2 ASP A 10 -10.474 -0.733 -7.100 1.00 0.00 O ATOM 0 H ASP A 10 -8.875 3.201 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.218 1.831 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.893 1.078 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.629 0.453 -4.919 1.00 0.00 H new ATOM 157 N ARG A 11 -10.595 1.319 -2.755 1.00 0.00 N ATOM 158 CA ARG A 11 -10.423 1.315 -1.317 1.00 0.00 C ATOM 159 C ARG A 11 -10.344 -0.120 -0.813 1.00 0.00 C ATOM 160 O ARG A 11 -11.248 -0.922 -1.057 1.00 0.00 O ATOM 161 CB ARG A 11 -11.588 2.038 -0.643 1.00 0.00 C ATOM 162 CG ARG A 11 -11.344 2.327 0.822 1.00 0.00 C ATOM 163 CD ARG A 11 -12.604 2.829 1.512 1.00 0.00 C ATOM 164 NE ARG A 11 -13.072 4.112 0.977 1.00 0.00 N ATOM 165 CZ ARG A 11 -14.362 4.430 0.833 1.00 0.00 C ATOM 166 NH1 ARG A 11 -15.302 3.527 1.074 1.00 0.00 N ATOM 167 NH2 ARG A 11 -14.719 5.642 0.423 1.00 0.00 N ATOM 0 H ARG A 11 -11.331 0.697 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.497 1.835 -1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.776 2.976 -1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.489 1.432 -0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.993 1.422 1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.554 3.071 0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.393 2.085 1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.411 2.934 2.580 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.373 4.801 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.042 2.586 1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.286 3.773 0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.006 6.341 0.215 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.707 5.874 0.316 1.00 0.00 H new ATOM 181 N ALA A 12 -9.270 -0.445 -0.112 1.00 0.00 N ATOM 182 CA ALA A 12 -9.055 -1.808 0.341 1.00 0.00 C ATOM 183 C ALA A 12 -8.407 -1.843 1.717 1.00 0.00 C ATOM 184 O ALA A 12 -7.857 -0.845 2.184 1.00 0.00 O ATOM 185 CB ALA A 12 -8.199 -2.562 -0.662 1.00 0.00 C ATOM 0 H ALA A 12 -8.537 0.213 0.154 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.028 -2.293 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.044 -3.583 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.703 -2.582 -1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.235 -2.063 -0.765 1.00 0.00 H new ATOM 191 N GLU A 13 -8.483 -2.997 2.359 1.00 0.00 N ATOM 192 CA GLU A 13 -7.861 -3.205 3.654 1.00 0.00 C ATOM 193 C GLU A 13 -6.710 -4.189 3.510 1.00 0.00 C ATOM 194 O GLU A 13 -6.876 -5.265 2.938 1.00 0.00 O ATOM 195 CB GLU A 13 -8.889 -3.735 4.654 1.00 0.00 C ATOM 196 CG GLU A 13 -8.355 -3.875 6.070 1.00 0.00 C ATOM 197 CD GLU A 13 -9.398 -4.408 7.029 1.00 0.00 C ATOM 198 OE1 GLU A 13 -10.355 -3.671 7.338 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.269 -5.568 7.475 1.00 0.00 O ATOM 0 H GLU A 13 -8.976 -3.813 1.998 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.477 -2.255 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.749 -3.066 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.246 -4.707 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.493 -4.543 6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.005 -2.904 6.421 1.00 0.00 H new ATOM 206 N VAL A 14 -5.544 -3.811 4.004 1.00 0.00 N ATOM 207 CA VAL A 14 -4.363 -4.652 3.894 1.00 0.00 C ATOM 208 C VAL A 14 -4.496 -5.900 4.762 1.00 0.00 C ATOM 209 O VAL A 14 -4.763 -5.805 5.959 1.00 0.00 O ATOM 210 CB VAL A 14 -3.091 -3.887 4.300 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.862 -4.760 4.121 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.965 -2.606 3.494 1.00 0.00 C ATOM 0 H VAL A 14 -5.389 -2.926 4.486 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.279 -4.949 2.848 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.167 -3.623 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.973 -4.201 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.953 -5.649 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.776 -5.058 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.061 -2.076 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.910 -2.848 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.834 -1.974 3.678 1.00 0.00 H new ATOM 222 N THR A 15 -4.324 -7.066 4.151 1.00 0.00 N ATOM 223 CA THR A 15 -4.381 -8.321 4.881 1.00 0.00 C ATOM 224 C THR A 15 -2.978 -8.881 5.105 1.00 0.00 C ATOM 225 O THR A 15 -2.759 -9.694 6.006 1.00 0.00 O ATOM 226 CB THR A 15 -5.248 -9.360 4.141 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.899 -9.390 2.749 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.727 -9.041 4.293 1.00 0.00 C ATOM 0 H THR A 15 -4.144 -7.166 3.152 1.00 0.00 H new ATOM 0 HA THR A 15 -4.839 -8.116 5.849 1.00 0.00 H new ATOM 0 HB THR A 15 -5.058 -10.338 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.453 -10.053 2.287 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.317 -9.788 3.762 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.995 -9.051 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.931 -8.055 3.876 1.00 0.00 H new ATOM 236 N SER A 16 -2.028 -8.437 4.288 1.00 0.00 N ATOM 237 CA SER A 16 -0.648 -8.886 4.406 1.00 0.00 C ATOM 238 C SER A 16 0.289 -7.976 3.620 1.00 0.00 C ATOM 239 O SER A 16 -0.007 -7.588 2.488 1.00 0.00 O ATOM 240 CB SER A 16 -0.517 -10.328 3.904 1.00 0.00 C ATOM 241 OG SER A 16 0.793 -10.828 4.111 1.00 0.00 O ATOM 0 H SER A 16 -2.190 -7.766 3.537 1.00 0.00 H new ATOM 0 HA SER A 16 -0.366 -8.845 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.237 -10.962 4.421 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.761 -10.369 2.842 1.00 0.00 H new ATOM 0 HG SER A 16 0.847 -11.750 3.783 1.00 0.00 H new ATOM 247 N VAL A 17 1.416 -7.628 4.230 1.00 0.00 N ATOM 248 CA VAL A 17 2.425 -6.815 3.569 1.00 0.00 C ATOM 249 C VAL A 17 3.677 -7.649 3.329 1.00 0.00 C ATOM 250 O VAL A 17 4.391 -7.990 4.270 1.00 0.00 O ATOM 251 CB VAL A 17 2.812 -5.584 4.416 1.00 0.00 C ATOM 252 CG1 VAL A 17 3.715 -4.647 3.625 1.00 0.00 C ATOM 253 CG2 VAL A 17 1.574 -4.854 4.910 1.00 0.00 C ATOM 0 H VAL A 17 1.653 -7.898 5.185 1.00 0.00 H new ATOM 0 HA VAL A 17 2.002 -6.470 2.625 1.00 0.00 H new ATOM 0 HB VAL A 17 3.366 -5.934 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.975 -3.786 4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.624 -5.175 3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.193 -4.308 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.874 -3.991 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.984 -4.520 4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.976 -5.527 5.524 1.00 0.00 H new ATOM 263 N ALA A 18 3.935 -7.989 2.076 1.00 0.00 N ATOM 264 CA ALA A 18 5.125 -8.750 1.740 1.00 0.00 C ATOM 265 C ALA A 18 6.156 -7.865 1.059 1.00 0.00 C ATOM 266 O ALA A 18 5.835 -7.117 0.140 1.00 0.00 O ATOM 267 CB ALA A 18 4.774 -9.939 0.861 1.00 0.00 C ATOM 0 H ALA A 18 3.341 -7.752 1.281 1.00 0.00 H new ATOM 0 HA ALA A 18 5.559 -9.127 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.681 -10.495 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.078 -10.590 1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.311 -9.586 -0.060 1.00 0.00 H new ATOM 273 N ALA A 19 7.388 -7.949 1.531 1.00 0.00 N ATOM 274 CA ALA A 19 8.498 -7.186 0.976 1.00 0.00 C ATOM 275 C ALA A 19 9.781 -7.613 1.662 1.00 0.00 C ATOM 276 O ALA A 19 9.755 -8.499 2.522 1.00 0.00 O ATOM 277 CB ALA A 19 8.282 -5.685 1.153 1.00 0.00 C ATOM 0 H ALA A 19 7.650 -8.550 2.313 1.00 0.00 H new ATOM 0 HA ALA A 19 8.562 -7.386 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.127 -5.143 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.366 -5.386 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.198 -5.452 2.215 1.00 0.00 H new ATOM 283 N GLU A 20 10.891 -6.989 1.293 1.00 0.00 N ATOM 284 CA GLU A 20 12.158 -7.220 1.974 1.00 0.00 C ATOM 285 C GLU A 20 12.006 -6.882 3.451 1.00 0.00 C ATOM 286 O GLU A 20 11.301 -5.938 3.789 1.00 0.00 O ATOM 287 CB GLU A 20 13.254 -6.358 1.349 1.00 0.00 C ATOM 288 CG GLU A 20 13.525 -6.681 -0.110 1.00 0.00 C ATOM 289 CD GLU A 20 14.140 -8.050 -0.293 1.00 0.00 C ATOM 290 OE1 GLU A 20 15.348 -8.200 -0.018 1.00 0.00 O ATOM 291 OE2 GLU A 20 13.421 -8.983 -0.708 1.00 0.00 O ATOM 0 H GLU A 20 10.940 -6.319 0.526 1.00 0.00 H new ATOM 0 HA GLU A 20 12.438 -8.268 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.972 -5.309 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.175 -6.487 1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.592 -6.627 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.192 -5.927 -0.528 1.00 0.00 H new ATOM 298 N PRO A 21 12.661 -7.642 4.340 1.00 0.00 N ATOM 299 CA PRO A 21 12.516 -7.496 5.792 1.00 0.00 C ATOM 300 C PRO A 21 12.574 -6.041 6.264 1.00 0.00 C ATOM 301 O PRO A 21 11.710 -5.597 7.021 1.00 0.00 O ATOM 302 CB PRO A 21 13.688 -8.301 6.372 1.00 0.00 C ATOM 303 CG PRO A 21 14.477 -8.806 5.205 1.00 0.00 C ATOM 304 CD PRO A 21 13.588 -8.725 4.000 1.00 0.00 C ATOM 0 HA PRO A 21 11.539 -7.851 6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.306 -7.676 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.326 -9.128 6.982 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.376 -8.207 5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.802 -9.833 5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.154 -8.501 3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.063 -9.664 3.823 1.00 0.00 H new ATOM 312 N ALA A 22 13.572 -5.302 5.797 1.00 0.00 N ATOM 313 CA ALA A 22 13.750 -3.914 6.204 1.00 0.00 C ATOM 314 C ALA A 22 12.642 -3.025 5.650 1.00 0.00 C ATOM 315 O ALA A 22 12.032 -2.244 6.385 1.00 0.00 O ATOM 316 CB ALA A 22 15.111 -3.402 5.757 1.00 0.00 C ATOM 0 H ALA A 22 14.271 -5.641 5.136 1.00 0.00 H new ATOM 0 HA ALA A 22 13.697 -3.876 7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.229 -2.364 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.895 -4.008 6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.185 -3.466 4.671 1.00 0.00 H new ATOM 322 N VAL A 23 12.380 -3.154 4.358 1.00 0.00 N ATOM 323 CA VAL A 23 11.392 -2.320 3.688 1.00 0.00 C ATOM 324 C VAL A 23 9.992 -2.630 4.209 1.00 0.00 C ATOM 325 O VAL A 23 9.182 -1.730 4.437 1.00 0.00 O ATOM 326 CB VAL A 23 11.437 -2.530 2.162 1.00 0.00 C ATOM 327 CG1 VAL A 23 10.413 -1.649 1.462 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.835 -2.249 1.630 1.00 0.00 C ATOM 0 H VAL A 23 12.840 -3.831 3.750 1.00 0.00 H new ATOM 0 HA VAL A 23 11.632 -1.279 3.903 1.00 0.00 H new ATOM 0 HB VAL A 23 11.187 -3.570 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.465 -1.816 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.414 -1.897 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.626 -0.602 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.851 -2.402 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.110 -1.218 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.547 -2.926 2.103 1.00 0.00 H new ATOM 338 N ARG A 24 9.737 -3.915 4.422 1.00 0.00 N ATOM 339 CA ARG A 24 8.459 -4.389 4.928 1.00 0.00 C ATOM 340 C ARG A 24 8.138 -3.732 6.262 1.00 0.00 C ATOM 341 O ARG A 24 7.068 -3.150 6.439 1.00 0.00 O ATOM 342 CB ARG A 24 8.510 -5.909 5.100 1.00 0.00 C ATOM 343 CG ARG A 24 7.191 -6.537 5.513 1.00 0.00 C ATOM 344 CD ARG A 24 7.379 -7.986 5.943 1.00 0.00 C ATOM 345 NE ARG A 24 8.088 -8.777 4.932 1.00 0.00 N ATOM 346 CZ ARG A 24 8.202 -10.108 4.970 1.00 0.00 C ATOM 347 NH1 ARG A 24 7.712 -10.791 5.997 1.00 0.00 N ATOM 348 NH2 ARG A 24 8.840 -10.746 3.993 1.00 0.00 N ATOM 0 H ARG A 24 10.414 -4.658 4.248 1.00 0.00 H new ATOM 0 HA ARG A 24 7.678 -4.127 4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.834 -6.358 4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.265 -6.153 5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.755 -5.966 6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.487 -6.490 4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.935 -8.016 6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.405 -8.435 6.136 1.00 0.00 H new ATOM 0 HE ARG A 24 8.520 -8.281 4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.247 -10.300 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.801 -11.807 6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.241 -10.220 3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.928 -11.762 4.020 1.00 0.00 H new ATOM 362 N ARG A 25 9.086 -3.801 7.186 1.00 0.00 N ATOM 363 CA ARG A 25 8.877 -3.272 8.524 1.00 0.00 C ATOM 364 C ARG A 25 8.879 -1.752 8.518 1.00 0.00 C ATOM 365 O ARG A 25 8.266 -1.127 9.373 1.00 0.00 O ATOM 366 CB ARG A 25 9.931 -3.807 9.490 1.00 0.00 C ATOM 367 CG ARG A 25 9.850 -5.309 9.679 1.00 0.00 C ATOM 368 CD ARG A 25 10.675 -5.771 10.864 1.00 0.00 C ATOM 369 NE ARG A 25 12.114 -5.634 10.640 1.00 0.00 N ATOM 370 CZ ARG A 25 13.022 -6.462 11.155 1.00 0.00 C ATOM 371 NH1 ARG A 25 12.637 -7.489 11.903 1.00 0.00 N ATOM 372 NH2 ARG A 25 14.313 -6.262 10.922 1.00 0.00 N ATOM 0 H ARG A 25 10.005 -4.217 7.033 1.00 0.00 H new ATOM 0 HA ARG A 25 7.898 -3.607 8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.922 -3.545 9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.813 -3.317 10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.810 -5.602 9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.199 -5.809 8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.392 -5.194 11.745 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.443 -6.814 11.078 1.00 0.00 H new ATOM 0 HE ARG A 25 12.440 -4.863 10.058 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.645 -7.645 12.084 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.333 -8.122 12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.611 -5.473 10.348 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.007 -6.897 11.317 1.00 0.00 H new ATOM 386 N ARG A 26 9.558 -1.161 7.546 1.00 0.00 N ATOM 387 CA ARG A 26 9.585 0.287 7.420 1.00 0.00 C ATOM 388 C ARG A 26 8.172 0.805 7.167 1.00 0.00 C ATOM 389 O ARG A 26 7.753 1.811 7.734 1.00 0.00 O ATOM 390 CB ARG A 26 10.517 0.703 6.284 1.00 0.00 C ATOM 391 CG ARG A 26 11.183 2.048 6.511 1.00 0.00 C ATOM 392 CD ARG A 26 12.132 2.399 5.379 1.00 0.00 C ATOM 393 NE ARG A 26 13.055 3.468 5.755 1.00 0.00 N ATOM 394 CZ ARG A 26 13.528 4.385 4.911 1.00 0.00 C ATOM 395 NH1 ARG A 26 13.181 4.374 3.626 1.00 0.00 N ATOM 396 NH2 ARG A 26 14.367 5.311 5.350 1.00 0.00 N ATOM 0 H ARG A 26 10.095 -1.660 6.837 1.00 0.00 H new ATOM 0 HA ARG A 26 9.961 0.720 8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.287 -0.058 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.950 0.739 5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.421 2.822 6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.731 2.029 7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.699 1.513 5.093 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.557 2.706 4.505 1.00 0.00 H new ATOM 0 HE ARG A 26 13.357 3.516 6.728 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.545 3.658 3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.551 5.082 2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.649 5.320 6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.731 6.015 4.708 1.00 0.00 H new ATOM 410 N LEU A 27 7.432 0.081 6.333 1.00 0.00 N ATOM 411 CA LEU A 27 6.052 0.432 6.025 1.00 0.00 C ATOM 412 C LEU A 27 5.133 0.079 7.190 1.00 0.00 C ATOM 413 O LEU A 27 4.209 0.828 7.519 1.00 0.00 O ATOM 414 CB LEU A 27 5.589 -0.300 4.762 1.00 0.00 C ATOM 415 CG LEU A 27 6.399 -0.006 3.499 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.935 -0.891 2.352 1.00 0.00 C ATOM 417 CD2 LEU A 27 6.281 1.462 3.121 1.00 0.00 C ATOM 0 H LEU A 27 7.768 -0.756 5.857 1.00 0.00 H new ATOM 0 HA LEU A 27 6.004 1.508 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.621 -1.373 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.547 -0.041 4.574 1.00 0.00 H new ATOM 0 HG LEU A 27 7.447 -0.226 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.522 -0.669 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.069 -1.938 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.881 -0.701 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.864 1.654 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.235 1.707 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.660 2.079 3.936 1.00 0.00 H new ATOM 429 N MET A 28 5.402 -1.060 7.824 1.00 0.00 N ATOM 430 CA MET A 28 4.573 -1.535 8.926 1.00 0.00 C ATOM 431 C MET A 28 4.674 -0.588 10.112 1.00 0.00 C ATOM 432 O MET A 28 3.678 -0.278 10.768 1.00 0.00 O ATOM 433 CB MET A 28 4.988 -2.948 9.348 1.00 0.00 C ATOM 434 CG MET A 28 4.753 -4.000 8.276 1.00 0.00 C ATOM 435 SD MET A 28 5.271 -5.651 8.789 1.00 0.00 S ATOM 436 CE MET A 28 4.110 -5.964 10.118 1.00 0.00 C ATOM 0 H MET A 28 6.187 -1.669 7.593 1.00 0.00 H new ATOM 0 HA MET A 28 3.539 -1.565 8.584 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.045 -2.943 9.614 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.435 -3.227 10.245 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.694 -4.020 8.019 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.295 -3.719 7.373 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.102 -7.029 10.351 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.409 -5.402 11.002 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.112 -5.652 9.810 1.00 0.00 H new ATOM 446 N ASP A 29 5.887 -0.119 10.370 1.00 0.00 N ATOM 447 CA ASP A 29 6.136 0.823 11.452 1.00 0.00 C ATOM 448 C ASP A 29 5.484 2.177 11.181 1.00 0.00 C ATOM 449 O ASP A 29 5.164 2.911 12.118 1.00 0.00 O ATOM 450 CB ASP A 29 7.637 0.990 11.676 1.00 0.00 C ATOM 451 CG ASP A 29 8.205 -0.051 12.624 1.00 0.00 C ATOM 452 OD1 ASP A 29 8.322 -1.232 12.233 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.539 0.310 13.773 1.00 0.00 O ATOM 0 H ASP A 29 6.719 -0.378 9.840 1.00 0.00 H new ATOM 0 HA ASP A 29 5.686 0.415 12.357 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.153 0.924 10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.833 1.985 12.076 1.00 0.00 H new ATOM 458 N LEU A 30 5.283 2.515 9.906 1.00 0.00 N ATOM 459 CA LEU A 30 4.578 3.739 9.556 1.00 0.00 C ATOM 460 C LEU A 30 3.101 3.599 9.885 1.00 0.00 C ATOM 461 O LEU A 30 2.484 4.518 10.419 1.00 0.00 O ATOM 462 CB LEU A 30 4.750 4.069 8.070 1.00 0.00 C ATOM 463 CG LEU A 30 6.170 4.445 7.648 1.00 0.00 C ATOM 464 CD1 LEU A 30 6.234 4.688 6.149 1.00 0.00 C ATOM 465 CD2 LEU A 30 6.646 5.673 8.411 1.00 0.00 C ATOM 0 H LEU A 30 5.597 1.961 9.109 1.00 0.00 H new ATOM 0 HA LEU A 30 5.005 4.555 10.139 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.430 3.208 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.083 4.893 7.817 1.00 0.00 H new ATOM 0 HG LEU A 30 6.832 3.614 7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.253 4.955 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.936 3.782 5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.559 5.502 5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.659 5.926 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.981 6.511 8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.639 5.462 9.480 1.00 0.00 H new ATOM 477 N GLY A 31 2.549 2.432 9.586 1.00 0.00 N ATOM 478 CA GLY A 31 1.142 2.196 9.836 1.00 0.00 C ATOM 479 C GLY A 31 0.515 1.292 8.798 1.00 0.00 C ATOM 480 O GLY A 31 -0.684 1.013 8.851 1.00 0.00 O ATOM 0 H GLY A 31 3.050 1.645 9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.021 1.750 10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.614 3.149 9.850 1.00 0.00 H new ATOM 484 N LEU A 32 1.315 0.831 7.847 1.00 0.00 N ATOM 485 CA LEU A 32 0.817 -0.057 6.811 1.00 0.00 C ATOM 486 C LEU A 32 0.930 -1.505 7.285 1.00 0.00 C ATOM 487 O LEU A 32 1.948 -2.163 7.078 1.00 0.00 O ATOM 488 CB LEU A 32 1.592 0.158 5.503 1.00 0.00 C ATOM 489 CG LEU A 32 0.816 -0.132 4.209 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.610 0.337 3.002 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.496 -1.613 4.077 1.00 0.00 C ATOM 0 H LEU A 32 2.307 1.057 7.773 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.232 0.167 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.937 1.192 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.480 -0.474 5.521 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.125 0.416 4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.048 0.125 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.787 1.410 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.565 -0.187 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.053 -1.785 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.423 -2.186 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.112 -1.931 4.924 1.00 0.00 H new ATOM 503 N VAL A 33 -0.106 -1.966 7.968 1.00 0.00 N ATOM 504 CA VAL A 33 -0.151 -3.325 8.493 1.00 0.00 C ATOM 505 C VAL A 33 -1.495 -3.959 8.167 1.00 0.00 C ATOM 506 O VAL A 33 -2.323 -3.354 7.485 1.00 0.00 O ATOM 507 CB VAL A 33 0.059 -3.355 10.026 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.462 -2.894 10.395 1.00 0.00 C ATOM 509 CG2 VAL A 33 -0.989 -2.501 10.732 1.00 0.00 C ATOM 0 H VAL A 33 -0.937 -1.412 8.174 1.00 0.00 H new ATOM 0 HA VAL A 33 0.658 -3.885 8.024 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.057 -4.386 10.359 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.582 -2.925 11.478 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.195 -3.552 9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.614 -1.874 10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.822 -2.537 11.809 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.911 -1.470 10.387 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.984 -2.885 10.506 1.00 0.00 H new ATOM 519 N ARG A 34 -1.714 -5.173 8.650 1.00 0.00 N ATOM 520 CA ARG A 34 -2.999 -5.825 8.475 1.00 0.00 C ATOM 521 C ARG A 34 -4.079 -5.042 9.211 1.00 0.00 C ATOM 522 O ARG A 34 -3.963 -4.783 10.408 1.00 0.00 O ATOM 523 CB ARG A 34 -2.958 -7.260 8.990 1.00 0.00 C ATOM 524 CG ARG A 34 -4.229 -8.038 8.694 1.00 0.00 C ATOM 525 CD ARG A 34 -4.280 -9.344 9.465 1.00 0.00 C ATOM 526 NE ARG A 34 -3.093 -10.168 9.248 1.00 0.00 N ATOM 527 CZ ARG A 34 -3.131 -11.472 8.999 1.00 0.00 C ATOM 528 NH1 ARG A 34 -4.293 -12.089 8.827 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.000 -12.149 8.885 1.00 0.00 N ATOM 0 H ARG A 34 -1.023 -5.721 9.162 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.229 -5.850 7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.110 -7.777 8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.789 -7.248 10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.096 -7.430 8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.289 -8.244 7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.381 -9.130 10.529 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.167 -9.904 9.167 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.180 -9.714 9.290 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.164 -11.562 8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.315 -13.091 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.106 -11.669 8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.022 -13.151 8.694 1.00 0.00 H new ATOM 543 N GLY A 35 -5.115 -4.656 8.493 1.00 0.00 N ATOM 544 CA GLY A 35 -6.171 -3.875 9.095 1.00 0.00 C ATOM 545 C GLY A 35 -6.098 -2.424 8.686 1.00 0.00 C ATOM 546 O GLY A 35 -7.002 -1.637 8.982 1.00 0.00 O ATOM 0 H GLY A 35 -5.246 -4.868 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.138 -4.286 8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.105 -3.950 10.180 1.00 0.00 H new ATOM 550 N ALA A 36 -5.010 -2.065 8.020 1.00 0.00 N ATOM 551 CA ALA A 36 -4.863 -0.731 7.475 1.00 0.00 C ATOM 552 C ALA A 36 -5.807 -0.548 6.299 1.00 0.00 C ATOM 553 O ALA A 36 -5.673 -1.215 5.271 1.00 0.00 O ATOM 554 CB ALA A 36 -3.424 -0.485 7.058 1.00 0.00 C ATOM 0 H ALA A 36 -4.217 -2.683 7.846 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.120 -0.002 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.330 0.522 6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.771 -0.588 7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.136 -1.212 6.299 1.00 0.00 H new ATOM 560 N LYS A 37 -6.781 0.327 6.471 1.00 0.00 N ATOM 561 CA LYS A 37 -7.753 0.596 5.427 1.00 0.00 C ATOM 562 C LYS A 37 -7.285 1.792 4.616 1.00 0.00 C ATOM 563 O LYS A 37 -7.157 2.900 5.147 1.00 0.00 O ATOM 564 CB LYS A 37 -9.132 0.871 6.028 1.00 0.00 C ATOM 565 CG LYS A 37 -9.557 -0.141 7.083 1.00 0.00 C ATOM 566 CD LYS A 37 -10.843 0.284 7.779 1.00 0.00 C ATOM 567 CE LYS A 37 -11.095 -0.514 9.051 1.00 0.00 C ATOM 568 NZ LYS A 37 -11.593 -1.891 8.784 1.00 0.00 N ATOM 0 H LYS A 37 -6.920 0.865 7.326 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.838 -0.278 4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.132 1.866 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.872 0.879 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.700 -1.116 6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.763 -0.254 7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.790 1.345 8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.684 0.154 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.171 -0.573 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.821 0.016 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.666 -2.414 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.530 -1.840 8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.932 -2.382 8.149 1.00 0.00 H new ATOM 582 N LEU A 38 -7.024 1.575 3.343 1.00 0.00 N ATOM 583 CA LEU A 38 -6.440 2.609 2.510 1.00 0.00 C ATOM 584 C LEU A 38 -7.221 2.816 1.222 1.00 0.00 C ATOM 585 O LEU A 38 -7.946 1.930 0.763 1.00 0.00 O ATOM 586 CB LEU A 38 -4.965 2.292 2.209 1.00 0.00 C ATOM 587 CG LEU A 38 -4.645 0.866 1.725 1.00 0.00 C ATOM 588 CD1 LEU A 38 -5.080 0.651 0.282 1.00 0.00 C ATOM 589 CD2 LEU A 38 -3.159 0.590 1.871 1.00 0.00 C ATOM 0 H LEU A 38 -7.206 0.694 2.862 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.491 3.543 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.614 2.994 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.386 2.482 3.113 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.206 0.168 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.837 -0.367 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.155 0.808 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.559 1.358 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.941 -0.421 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.595 1.306 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.872 0.686 2.918 1.00 0.00 H new ATOM 601 N LYS A 39 -7.076 4.001 0.657 1.00 0.00 N ATOM 602 CA LYS A 39 -7.657 4.311 -0.634 1.00 0.00 C ATOM 603 C LYS A 39 -6.565 4.792 -1.578 1.00 0.00 C ATOM 604 O LYS A 39 -5.792 5.689 -1.235 1.00 0.00 O ATOM 605 CB LYS A 39 -8.742 5.385 -0.512 1.00 0.00 C ATOM 606 CG LYS A 39 -9.395 5.717 -1.844 1.00 0.00 C ATOM 607 CD LYS A 39 -10.316 6.924 -1.752 1.00 0.00 C ATOM 608 CE LYS A 39 -10.866 7.293 -3.121 1.00 0.00 C ATOM 609 NZ LYS A 39 -11.816 8.436 -3.056 1.00 0.00 N ATOM 0 H LYS A 39 -6.555 4.770 1.078 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.119 3.406 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.506 5.045 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.305 6.290 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.621 5.909 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.964 4.855 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.139 6.707 -1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.772 7.771 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.040 7.546 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.370 6.428 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.165 8.652 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.618 8.186 -2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.330 9.270 -2.668 1.00 0.00 H new ATOM 623 N VAL A 40 -6.493 4.187 -2.752 1.00 0.00 N ATOM 624 CA VAL A 40 -5.529 4.598 -3.757 1.00 0.00 C ATOM 625 C VAL A 40 -5.959 5.924 -4.360 1.00 0.00 C ATOM 626 O VAL A 40 -7.070 6.047 -4.878 1.00 0.00 O ATOM 627 CB VAL A 40 -5.383 3.548 -4.880 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.346 3.989 -5.905 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.017 2.191 -4.298 1.00 0.00 C ATOM 0 H VAL A 40 -7.091 3.410 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.561 4.700 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.343 3.458 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.261 3.233 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.653 4.936 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.380 4.114 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.918 1.464 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.071 2.268 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.799 1.867 -3.611 1.00 0.00 H new ATOM 639 N LEU A 41 -5.092 6.916 -4.273 1.00 0.00 N ATOM 640 CA LEU A 41 -5.401 8.238 -4.789 1.00 0.00 C ATOM 641 C LEU A 41 -5.139 8.294 -6.287 1.00 0.00 C ATOM 642 O LEU A 41 -6.068 8.432 -7.085 1.00 0.00 O ATOM 643 CB LEU A 41 -4.571 9.302 -4.062 1.00 0.00 C ATOM 644 CG LEU A 41 -4.765 9.354 -2.548 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.875 10.419 -1.933 1.00 0.00 C ATOM 646 CD2 LEU A 41 -6.222 9.609 -2.206 1.00 0.00 C ATOM 0 H LEU A 41 -4.168 6.832 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.457 8.442 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.516 9.123 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.817 10.279 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.480 8.388 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.027 10.441 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.831 10.190 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.127 11.392 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.341 9.643 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.535 10.561 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.837 8.807 -2.614 1.00 0.00 H new ATOM 658 N ARG A 42 -3.870 8.165 -6.663 1.00 0.00 N ATOM 659 CA ARG A 42 -3.468 8.225 -8.063 1.00 0.00 C ATOM 660 C ARG A 42 -2.186 7.439 -8.281 1.00 0.00 C ATOM 661 O ARG A 42 -1.471 7.117 -7.328 1.00 0.00 O ATOM 662 CB ARG A 42 -3.243 9.673 -8.509 1.00 0.00 C ATOM 663 CG ARG A 42 -4.516 10.467 -8.754 1.00 0.00 C ATOM 664 CD ARG A 42 -4.192 11.890 -9.166 1.00 0.00 C ATOM 665 NE ARG A 42 -5.382 12.674 -9.490 1.00 0.00 N ATOM 666 CZ ARG A 42 -5.349 13.975 -9.766 1.00 0.00 C ATOM 667 NH1 ARG A 42 -4.200 14.636 -9.695 1.00 0.00 N ATOM 668 NH2 ARG A 42 -6.460 14.622 -10.096 1.00 0.00 N ATOM 0 H ARG A 42 -3.099 8.017 -6.012 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.273 7.789 -8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.652 10.185 -7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.651 9.669 -9.424 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.107 9.984 -9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.125 10.475 -7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.648 12.381 -8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.530 11.870 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.285 12.199 -9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.346 14.146 -9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.172 15.634 -9.906 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.348 14.122 -10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.426 15.620 -10.306 1.00 0.00 H new ATOM 682 N PHE A 43 -1.906 7.132 -9.535 1.00 0.00 N ATOM 683 CA PHE A 43 -0.654 6.504 -9.910 1.00 0.00 C ATOM 684 C PHE A 43 0.226 7.520 -10.618 1.00 0.00 C ATOM 685 O PHE A 43 -0.278 8.393 -11.327 1.00 0.00 O ATOM 686 CB PHE A 43 -0.897 5.304 -10.832 1.00 0.00 C ATOM 687 CG PHE A 43 -1.653 4.174 -10.189 1.00 0.00 C ATOM 688 CD1 PHE A 43 -3.037 4.144 -10.211 1.00 0.00 C ATOM 689 CD2 PHE A 43 -0.976 3.137 -9.566 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.732 3.104 -9.627 1.00 0.00 C ATOM 691 CE2 PHE A 43 -1.666 2.092 -8.979 1.00 0.00 C ATOM 692 CZ PHE A 43 -3.046 2.077 -9.009 1.00 0.00 C ATOM 0 H PHE A 43 -2.536 7.310 -10.317 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.159 6.148 -9.006 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.448 5.641 -11.710 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.065 4.929 -11.183 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.580 4.945 -10.691 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.104 3.145 -9.539 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.812 3.094 -9.653 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.126 1.289 -8.498 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.588 1.264 -8.550 1.00 0.00 H new ATOM 702 N ALA A 44 1.530 7.426 -10.413 1.00 0.00 N ATOM 703 CA ALA A 44 2.468 8.275 -11.131 1.00 0.00 C ATOM 704 C ALA A 44 2.419 7.961 -12.628 1.00 0.00 C ATOM 705 O ALA A 44 1.912 6.909 -13.017 1.00 0.00 O ATOM 706 CB ALA A 44 3.873 8.088 -10.579 1.00 0.00 C ATOM 0 H ALA A 44 1.962 6.774 -9.759 1.00 0.00 H new ATOM 0 HA ALA A 44 2.185 9.318 -10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.566 8.728 -11.124 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.887 8.355 -9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.174 7.047 -10.695 1.00 0.00 H new ATOM 712 N PRO A 45 2.948 8.859 -13.487 1.00 0.00 N ATOM 713 CA PRO A 45 2.913 8.692 -14.956 1.00 0.00 C ATOM 714 C PRO A 45 3.654 7.449 -15.462 1.00 0.00 C ATOM 715 O PRO A 45 3.791 7.251 -16.669 1.00 0.00 O ATOM 716 CB PRO A 45 3.598 9.958 -15.483 1.00 0.00 C ATOM 717 CG PRO A 45 4.388 10.481 -14.334 1.00 0.00 C ATOM 718 CD PRO A 45 3.606 10.124 -13.106 1.00 0.00 C ATOM 0 HA PRO A 45 1.888 8.554 -15.299 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.242 9.733 -16.333 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.865 10.690 -15.823 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.382 10.035 -14.308 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.524 11.560 -14.411 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.253 9.997 -12.238 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.880 10.896 -12.851 1.00 0.00 H new ATOM 726 N LEU A 46 4.123 6.614 -14.544 1.00 0.00 N ATOM 727 CA LEU A 46 4.843 5.397 -14.894 1.00 0.00 C ATOM 728 C LEU A 46 4.293 4.215 -14.097 1.00 0.00 C ATOM 729 O LEU A 46 4.873 3.131 -14.093 1.00 0.00 O ATOM 730 CB LEU A 46 6.342 5.564 -14.607 1.00 0.00 C ATOM 731 CG LEU A 46 7.044 6.676 -15.393 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.453 6.885 -14.867 1.00 0.00 C ATOM 733 CD2 LEU A 46 7.082 6.344 -16.877 1.00 0.00 C ATOM 0 H LEU A 46 4.016 6.760 -13.540 1.00 0.00 H new ATOM 0 HA LEU A 46 4.706 5.206 -15.958 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.471 5.759 -13.542 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.843 4.620 -14.821 1.00 0.00 H new ATOM 0 HG LEU A 46 6.478 7.598 -15.260 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.940 7.678 -15.435 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.411 7.166 -13.815 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.022 5.961 -14.973 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.585 7.147 -17.417 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.624 5.411 -17.027 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.064 6.237 -17.252 1.00 0.00 H new ATOM 745 N GLY A 47 3.159 4.435 -13.431 1.00 0.00 N ATOM 746 CA GLY A 47 2.561 3.398 -12.603 1.00 0.00 C ATOM 747 C GLY A 47 3.342 3.174 -11.324 1.00 0.00 C ATOM 748 O GLY A 47 3.132 2.188 -10.618 1.00 0.00 O ATOM 0 H GLY A 47 2.643 5.315 -13.451 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.536 3.676 -12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.513 2.466 -13.167 1.00 0.00 H new ATOM 752 N ASP A 48 4.233 4.109 -11.028 1.00 0.00 N ATOM 753 CA ASP A 48 5.144 4.002 -9.897 1.00 0.00 C ATOM 754 C ASP A 48 5.826 5.348 -9.673 1.00 0.00 C ATOM 755 O ASP A 48 6.354 5.937 -10.619 1.00 0.00 O ATOM 756 CB ASP A 48 6.184 2.909 -10.176 1.00 0.00 C ATOM 757 CG ASP A 48 7.330 2.902 -9.186 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.095 2.655 -7.988 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.481 3.139 -9.604 1.00 0.00 O ATOM 0 H ASP A 48 4.345 4.967 -11.568 1.00 0.00 H new ATOM 0 HA ASP A 48 4.591 3.732 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.692 1.937 -10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.583 3.046 -11.181 1.00 0.00 H new ATOM 764 N PRO A 49 5.813 5.873 -8.435 1.00 0.00 N ATOM 765 CA PRO A 49 5.190 5.214 -7.281 1.00 0.00 C ATOM 766 C PRO A 49 3.670 5.398 -7.217 1.00 0.00 C ATOM 767 O PRO A 49 3.039 5.850 -8.178 1.00 0.00 O ATOM 768 CB PRO A 49 5.853 5.918 -6.100 1.00 0.00 C ATOM 769 CG PRO A 49 6.131 7.294 -6.594 1.00 0.00 C ATOM 770 CD PRO A 49 6.433 7.159 -8.062 1.00 0.00 C ATOM 0 HA PRO A 49 5.330 4.133 -7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.198 5.934 -5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.770 5.411 -5.800 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.273 7.947 -6.431 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.974 7.736 -6.062 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.013 7.986 -8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.507 7.154 -8.250 1.00 0.00 H new ATOM 778 N ILE A 50 3.100 5.035 -6.074 1.00 0.00 N ATOM 779 CA ILE A 50 1.661 5.121 -5.854 1.00 0.00 C ATOM 780 C ILE A 50 1.358 5.949 -4.605 1.00 0.00 C ATOM 781 O ILE A 50 2.054 5.839 -3.590 1.00 0.00 O ATOM 782 CB ILE A 50 1.042 3.712 -5.693 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.466 2.801 -6.850 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.476 3.803 -5.616 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.022 1.362 -6.686 1.00 0.00 C ATOM 0 H ILE A 50 3.621 4.673 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 50 1.221 5.605 -6.726 1.00 0.00 H new ATOM 0 HB ILE A 50 1.410 3.280 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.056 3.195 -7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.552 2.829 -6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.895 2.803 -5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.761 4.415 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.860 4.256 -6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.358 0.778 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.453 0.950 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.065 1.322 -6.623 1.00 0.00 H new ATOM 797 N GLU A 51 0.335 6.790 -4.696 1.00 0.00 N ATOM 798 CA GLU A 51 -0.115 7.586 -3.559 1.00 0.00 C ATOM 799 C GLU A 51 -1.356 6.949 -2.949 1.00 0.00 C ATOM 800 O GLU A 51 -2.387 6.827 -3.615 1.00 0.00 O ATOM 801 CB GLU A 51 -0.444 9.017 -3.996 1.00 0.00 C ATOM 802 CG GLU A 51 0.676 9.709 -4.753 1.00 0.00 C ATOM 803 CD GLU A 51 0.310 11.122 -5.165 1.00 0.00 C ATOM 804 OE1 GLU A 51 0.536 12.055 -4.365 1.00 0.00 O ATOM 805 OE2 GLU A 51 -0.189 11.314 -6.293 1.00 0.00 O ATOM 0 H GLU A 51 -0.202 6.939 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 51 0.687 7.619 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.334 8.998 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.690 9.607 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.570 9.735 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.924 9.127 -5.641 1.00 0.00 H new ATOM 812 N VAL A 52 -1.263 6.537 -1.695 1.00 0.00 N ATOM 813 CA VAL A 52 -2.388 5.912 -1.020 1.00 0.00 C ATOM 814 C VAL A 52 -2.694 6.606 0.300 1.00 0.00 C ATOM 815 O VAL A 52 -1.788 6.994 1.042 1.00 0.00 O ATOM 816 CB VAL A 52 -2.148 4.405 -0.762 1.00 0.00 C ATOM 817 CG1 VAL A 52 -2.121 3.631 -2.072 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.857 4.180 0.014 1.00 0.00 C ATOM 0 H VAL A 52 -0.422 6.624 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.243 6.015 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.976 4.035 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.951 2.574 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.075 3.752 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.318 4.012 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.714 3.112 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.016 4.574 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.916 4.693 0.974 1.00 0.00 H new ATOM 828 N ASN A 53 -3.973 6.787 0.575 1.00 0.00 N ATOM 829 CA ASN A 53 -4.402 7.319 1.857 1.00 0.00 C ATOM 830 C ASN A 53 -4.692 6.158 2.796 1.00 0.00 C ATOM 831 O ASN A 53 -5.737 5.520 2.698 1.00 0.00 O ATOM 832 CB ASN A 53 -5.647 8.192 1.698 1.00 0.00 C ATOM 833 CG ASN A 53 -6.013 8.929 2.975 1.00 0.00 C ATOM 834 OD1 ASN A 53 -6.705 8.396 3.841 1.00 0.00 O ATOM 835 ND2 ASN A 53 -5.559 10.166 3.089 1.00 0.00 N ATOM 0 H ASN A 53 -4.733 6.574 -0.071 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.609 7.943 2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.479 8.916 0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.486 7.568 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.780 10.716 3.919 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.988 10.570 2.347 1.00 0.00 H new ATOM 842 N CYS A 54 -3.757 5.881 3.685 1.00 0.00 N ATOM 843 CA CYS A 54 -3.843 4.717 4.550 1.00 0.00 C ATOM 844 C CYS A 54 -4.205 5.127 5.967 1.00 0.00 C ATOM 845 O CYS A 54 -3.429 5.807 6.635 1.00 0.00 O ATOM 846 CB CYS A 54 -2.511 3.954 4.540 1.00 0.00 C ATOM 847 SG CYS A 54 -2.478 2.490 5.599 1.00 0.00 S ATOM 0 H CYS A 54 -2.923 6.450 3.828 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.628 4.062 4.172 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.288 3.652 3.517 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.716 4.631 4.853 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.312 1.920 5.516 1.00 0.00 H new ATOM 853 N ASN A 55 -5.400 4.732 6.408 1.00 0.00 N ATOM 854 CA ASN A 55 -5.859 5.002 7.775 1.00 0.00 C ATOM 855 C ASN A 55 -6.045 6.498 8.025 1.00 0.00 C ATOM 856 O ASN A 55 -6.069 6.945 9.175 1.00 0.00 O ATOM 857 CB ASN A 55 -4.871 4.419 8.796 1.00 0.00 C ATOM 858 CG ASN A 55 -4.956 2.906 8.903 1.00 0.00 C ATOM 859 OD1 ASN A 55 -6.011 2.311 8.674 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.850 2.269 9.260 1.00 0.00 N ATOM 0 H ASN A 55 -6.072 4.221 5.836 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.829 4.519 7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.857 4.702 8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.065 4.859 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.854 1.253 9.353 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.995 2.794 9.442 1.00 0.00 H new ATOM 867 N GLY A 56 -6.210 7.263 6.953 1.00 0.00 N ATOM 868 CA GLY A 56 -6.309 8.705 7.076 1.00 0.00 C ATOM 869 C GLY A 56 -4.942 9.356 7.081 1.00 0.00 C ATOM 870 O GLY A 56 -4.795 10.536 7.402 1.00 0.00 O ATOM 0 H GLY A 56 -6.277 6.910 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.899 9.102 6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.837 8.958 7.996 1.00 0.00 H new ATOM 874 N MET A 57 -3.938 8.572 6.734 1.00 0.00 N ATOM 875 CA MET A 57 -2.567 9.037 6.698 1.00 0.00 C ATOM 876 C MET A 57 -2.025 8.929 5.276 1.00 0.00 C ATOM 877 O MET A 57 -2.335 7.982 4.558 1.00 0.00 O ATOM 878 CB MET A 57 -1.732 8.219 7.685 1.00 0.00 C ATOM 879 CG MET A 57 -0.318 8.730 7.877 1.00 0.00 C ATOM 880 SD MET A 57 0.499 7.974 9.295 1.00 0.00 S ATOM 881 CE MET A 57 0.383 6.240 8.863 1.00 0.00 C ATOM 0 H MET A 57 -4.052 7.594 6.469 1.00 0.00 H new ATOM 0 HA MET A 57 -2.515 10.085 6.994 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.237 8.210 8.651 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.689 7.186 7.338 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.263 8.530 6.977 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.340 9.812 8.008 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.365 5.639 9.772 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.531 6.067 8.296 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.244 5.957 8.258 1.00 0.00 H new ATOM 891 N LEU A 58 -1.240 9.911 4.861 1.00 0.00 N ATOM 892 CA LEU A 58 -0.731 9.950 3.499 1.00 0.00 C ATOM 893 C LEU A 58 0.515 9.080 3.380 1.00 0.00 C ATOM 894 O LEU A 58 1.559 9.392 3.951 1.00 0.00 O ATOM 895 CB LEU A 58 -0.417 11.399 3.097 1.00 0.00 C ATOM 896 CG LEU A 58 -0.440 11.702 1.593 1.00 0.00 C ATOM 897 CD1 LEU A 58 0.715 11.028 0.868 1.00 0.00 C ATOM 898 CD2 LEU A 58 -1.771 11.275 0.988 1.00 0.00 C ATOM 0 H LEU A 58 -0.942 10.691 5.447 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.492 9.559 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.134 12.055 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.569 11.656 3.484 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.324 12.779 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.666 11.265 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.660 11.387 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.648 9.948 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.773 11.496 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.912 10.204 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.582 11.819 1.473 1.00 0.00 H new ATOM 910 N LEU A 59 0.394 7.988 2.640 1.00 0.00 N ATOM 911 CA LEU A 59 1.503 7.070 2.442 1.00 0.00 C ATOM 912 C LEU A 59 1.916 7.094 0.977 1.00 0.00 C ATOM 913 O LEU A 59 1.082 7.266 0.086 1.00 0.00 O ATOM 914 CB LEU A 59 1.126 5.633 2.847 1.00 0.00 C ATOM 915 CG LEU A 59 1.121 5.294 4.354 1.00 0.00 C ATOM 916 CD1 LEU A 59 2.533 5.264 4.916 1.00 0.00 C ATOM 917 CD2 LEU A 59 0.261 6.266 5.150 1.00 0.00 C ATOM 0 H LEU A 59 -0.467 7.716 2.165 1.00 0.00 H new ATOM 0 HA LEU A 59 2.331 7.391 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.132 5.422 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.818 4.952 2.351 1.00 0.00 H new ATOM 0 HG LEU A 59 0.685 4.300 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.497 5.023 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.117 4.508 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.999 6.240 4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.284 5.993 6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.648 7.278 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.766 6.224 4.787 1.00 0.00 H new ATOM 929 N THR A 60 3.201 6.944 0.738 1.00 0.00 N ATOM 930 CA THR A 60 3.736 6.904 -0.611 1.00 0.00 C ATOM 931 C THR A 60 4.739 5.769 -0.729 1.00 0.00 C ATOM 932 O THR A 60 5.731 5.730 -0.001 1.00 0.00 O ATOM 933 CB THR A 60 4.417 8.236 -0.989 1.00 0.00 C ATOM 934 OG1 THR A 60 3.511 9.324 -0.774 1.00 0.00 O ATOM 935 CG2 THR A 60 4.864 8.227 -2.444 1.00 0.00 C ATOM 0 H THR A 60 3.905 6.846 1.470 1.00 0.00 H new ATOM 0 HA THR A 60 2.906 6.741 -1.298 1.00 0.00 H new ATOM 0 HB THR A 60 5.296 8.359 -0.357 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.949 10.167 -1.014 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.341 9.177 -2.684 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.574 7.415 -2.602 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.998 8.082 -3.090 1.00 0.00 H new ATOM 943 N MET A 61 4.468 4.842 -1.628 1.00 0.00 N ATOM 944 CA MET A 61 5.325 3.682 -1.812 1.00 0.00 C ATOM 945 C MET A 61 5.454 3.333 -3.283 1.00 0.00 C ATOM 946 O MET A 61 4.689 3.819 -4.116 1.00 0.00 O ATOM 947 CB MET A 61 4.801 2.472 -1.022 1.00 0.00 C ATOM 948 CG MET A 61 3.327 2.555 -0.629 1.00 0.00 C ATOM 949 SD MET A 61 2.211 2.749 -2.035 1.00 0.00 S ATOM 950 CE MET A 61 2.493 1.217 -2.918 1.00 0.00 C ATOM 0 H MET A 61 3.657 4.869 -2.246 1.00 0.00 H new ATOM 0 HA MET A 61 6.312 3.938 -1.428 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.954 1.572 -1.618 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.398 2.360 -0.117 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.055 1.652 -0.082 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.188 3.395 0.052 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.551 0.856 -3.331 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.202 1.389 -3.728 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.898 0.472 -2.233 1.00 0.00 H new ATOM 960 N ARG A 62 6.425 2.489 -3.590 1.00 0.00 N ATOM 961 CA ARG A 62 6.721 2.125 -4.962 1.00 0.00 C ATOM 962 C ARG A 62 5.949 0.875 -5.353 1.00 0.00 C ATOM 963 O ARG A 62 5.415 0.171 -4.491 1.00 0.00 O ATOM 964 CB ARG A 62 8.226 1.892 -5.122 1.00 0.00 C ATOM 965 CG ARG A 62 9.081 3.015 -4.551 1.00 0.00 C ATOM 966 CD ARG A 62 8.760 4.348 -5.197 1.00 0.00 C ATOM 967 NE ARG A 62 8.987 4.317 -6.644 1.00 0.00 N ATOM 968 CZ ARG A 62 9.857 5.101 -7.286 1.00 0.00 C ATOM 969 NH1 ARG A 62 10.512 6.056 -6.635 1.00 0.00 N ATOM 970 NH2 ARG A 62 10.042 4.945 -8.589 1.00 0.00 N ATOM 0 H ARG A 62 7.026 2.040 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 62 6.416 2.939 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.495 0.957 -4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.456 1.774 -6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.920 3.084 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.135 2.782 -4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.721 4.608 -4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.376 5.128 -4.749 1.00 0.00 H new ATOM 0 HE ARG A 62 8.445 3.653 -7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.352 6.195 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.175 6.650 -7.133 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.521 4.229 -9.096 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.705 5.541 -9.085 1.00 0.00 H new ATOM 984 N ARG A 63 5.886 0.591 -6.648 1.00 0.00 N ATOM 985 CA ARG A 63 5.135 -0.559 -7.121 1.00 0.00 C ATOM 986 C ARG A 63 5.734 -1.861 -6.601 1.00 0.00 C ATOM 987 O ARG A 63 5.007 -2.800 -6.295 1.00 0.00 O ATOM 988 CB ARG A 63 5.063 -0.615 -8.645 1.00 0.00 C ATOM 989 CG ARG A 63 4.244 -1.803 -9.114 1.00 0.00 C ATOM 990 CD ARG A 63 4.342 -2.065 -10.602 1.00 0.00 C ATOM 991 NE ARG A 63 3.717 -3.347 -10.929 1.00 0.00 N ATOM 992 CZ ARG A 63 3.723 -3.909 -12.130 1.00 0.00 C ATOM 993 NH1 ARG A 63 4.259 -3.272 -13.164 1.00 0.00 N ATOM 994 NH2 ARG A 63 3.182 -5.112 -12.291 1.00 0.00 N ATOM 0 H ARG A 63 6.341 1.136 -7.380 1.00 0.00 H new ATOM 0 HA ARG A 63 4.123 -0.443 -6.732 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.622 0.307 -9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.070 -0.679 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.571 -2.693 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.199 -1.638 -8.852 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.853 -1.262 -11.154 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.388 -2.072 -10.910 1.00 0.00 H new ATOM 0 HE ARG A 63 3.241 -3.846 -10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.668 -2.347 -13.036 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.261 -3.708 -14.086 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.767 -5.595 -11.494 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.182 -5.552 -13.211 1.00 0.00 H new ATOM 1008 N ASN A 64 7.055 -1.914 -6.493 1.00 0.00 N ATOM 1009 CA ASN A 64 7.730 -3.122 -6.026 1.00 0.00 C ATOM 1010 C ASN A 64 7.284 -3.470 -4.605 1.00 0.00 C ATOM 1011 O ASN A 64 7.299 -4.634 -4.209 1.00 0.00 O ATOM 1012 CB ASN A 64 9.255 -2.963 -6.101 1.00 0.00 C ATOM 1013 CG ASN A 64 9.776 -1.871 -5.193 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.826 -0.704 -5.578 1.00 0.00 O ATOM 1015 ND2 ASN A 64 10.198 -2.243 -3.999 1.00 0.00 N ATOM 0 H ASN A 64 7.679 -1.140 -6.721 1.00 0.00 H new ATOM 0 HA ASN A 64 7.449 -3.946 -6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.728 -3.908 -5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.543 -2.742 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.584 -1.551 -3.356 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.138 -3.222 -3.719 1.00 0.00 H new ATOM 1022 N GLU A 65 6.892 -2.454 -3.838 1.00 0.00 N ATOM 1023 CA GLU A 65 6.268 -2.684 -2.542 1.00 0.00 C ATOM 1024 C GLU A 65 4.825 -3.145 -2.731 1.00 0.00 C ATOM 1025 O GLU A 65 4.396 -4.132 -2.143 1.00 0.00 O ATOM 1026 CB GLU A 65 6.297 -1.426 -1.663 1.00 0.00 C ATOM 1027 CG GLU A 65 7.642 -1.144 -1.008 1.00 0.00 C ATOM 1028 CD GLU A 65 8.443 -0.072 -1.719 1.00 0.00 C ATOM 1029 OE1 GLU A 65 7.939 1.064 -1.851 1.00 0.00 O ATOM 1030 OE2 GLU A 65 9.586 -0.354 -2.136 1.00 0.00 O ATOM 0 H GLU A 65 6.996 -1.471 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 65 6.841 -3.461 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.016 -0.566 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.541 -1.525 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.478 -0.839 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.225 -2.065 -0.980 1.00 0.00 H new ATOM 1037 N ALA A 66 4.093 -2.429 -3.581 1.00 0.00 N ATOM 1038 CA ALA A 66 2.669 -2.686 -3.807 1.00 0.00 C ATOM 1039 C ALA A 66 2.399 -4.094 -4.336 1.00 0.00 C ATOM 1040 O ALA A 66 1.324 -4.655 -4.112 1.00 0.00 O ATOM 1041 CB ALA A 66 2.105 -1.658 -4.769 1.00 0.00 C ATOM 0 H ALA A 66 4.467 -1.656 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 66 2.173 -2.606 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.046 -1.855 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.227 -0.660 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.636 -1.719 -5.719 1.00 0.00 H new ATOM 1047 N GLU A 67 3.354 -4.642 -5.068 1.00 0.00 N ATOM 1048 CA GLU A 67 3.255 -6.010 -5.555 1.00 0.00 C ATOM 1049 C GLU A 67 3.265 -6.994 -4.388 1.00 0.00 C ATOM 1050 O GLU A 67 2.474 -7.937 -4.341 1.00 0.00 O ATOM 1051 CB GLU A 67 4.413 -6.309 -6.504 1.00 0.00 C ATOM 1052 CG GLU A 67 4.315 -5.601 -7.845 1.00 0.00 C ATOM 1053 CD GLU A 67 3.755 -6.491 -8.934 1.00 0.00 C ATOM 1054 OE1 GLU A 67 4.413 -7.502 -9.265 1.00 0.00 O ATOM 1055 OE2 GLU A 67 2.665 -6.189 -9.467 1.00 0.00 O ATOM 0 H GLU A 67 4.211 -4.159 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 67 2.314 -6.122 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.347 -6.022 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.460 -7.384 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.683 -4.719 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.304 -5.251 -8.140 1.00 0.00 H new ATOM 1062 N GLY A 68 4.175 -6.774 -3.454 1.00 0.00 N ATOM 1063 CA GLY A 68 4.239 -7.599 -2.268 1.00 0.00 C ATOM 1064 C GLY A 68 3.030 -7.421 -1.369 1.00 0.00 C ATOM 1065 O GLY A 68 2.577 -8.372 -0.729 1.00 0.00 O ATOM 0 H GLY A 68 4.875 -6.033 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.318 -8.646 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.142 -7.356 -1.709 1.00 0.00 H new ATOM 1069 N ILE A 69 2.503 -6.206 -1.324 1.00 0.00 N ATOM 1070 CA ILE A 69 1.379 -5.894 -0.450 1.00 0.00 C ATOM 1071 C ILE A 69 0.087 -6.484 -1.002 1.00 0.00 C ATOM 1072 O ILE A 69 -0.287 -6.235 -2.150 1.00 0.00 O ATOM 1073 CB ILE A 69 1.195 -4.371 -0.270 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.505 -3.720 0.171 1.00 0.00 C ATOM 1075 CG2 ILE A 69 0.100 -4.085 0.750 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.443 -2.208 0.224 1.00 0.00 C ATOM 0 H ILE A 69 2.835 -5.419 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 69 1.604 -6.336 0.521 1.00 0.00 H new ATOM 0 HB ILE A 69 0.901 -3.946 -1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.776 -4.099 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.298 -4.019 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.017 -3.007 0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.840 -4.518 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.372 -4.525 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.408 -1.815 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.204 -1.819 -0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.673 -1.900 0.931 1.00 0.00 H new ATOM 1088 N THR A 70 -0.586 -7.264 -0.177 1.00 0.00 N ATOM 1089 CA THR A 70 -1.831 -7.887 -0.563 1.00 0.00 C ATOM 1090 C THR A 70 -2.984 -7.317 0.262 1.00 0.00 C ATOM 1091 O THR A 70 -2.935 -7.288 1.495 1.00 0.00 O ATOM 1092 CB THR A 70 -1.748 -9.415 -0.393 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.576 -9.905 -1.065 1.00 0.00 O ATOM 1094 CG2 THR A 70 -2.984 -10.097 -0.958 1.00 0.00 C ATOM 0 H THR A 70 -0.285 -7.481 0.773 1.00 0.00 H new ATOM 0 HA THR A 70 -2.016 -7.671 -1.615 1.00 0.00 H new ATOM 0 HB THR A 70 -1.691 -9.642 0.671 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.763 -10.787 -1.448 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.898 -11.175 -0.824 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.870 -9.736 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.072 -9.869 -2.020 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.003 -6.843 -0.432 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.133 -6.191 0.196 1.00 0.00 C ATOM 1104 C VAL A 71 -6.430 -6.935 -0.099 1.00 0.00 C ATOM 1105 O VAL A 71 -6.525 -7.684 -1.079 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.279 -4.729 -0.285 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -4.021 -3.930 0.022 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.602 -4.677 -1.776 1.00 0.00 C ATOM 0 H VAL A 71 -4.068 -6.900 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.944 -6.199 1.270 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.109 -4.277 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.147 -2.905 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.844 -3.929 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.169 -4.383 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.700 -3.638 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.799 -5.153 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.538 -5.203 -1.964 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.411 -6.732 0.760 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.748 -7.250 0.542 1.00 0.00 C ATOM 1120 C HIS A 72 -9.675 -6.082 0.230 1.00 0.00 C ATOM 1121 O HIS A 72 -9.718 -5.098 0.970 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.233 -8.017 1.779 1.00 0.00 C ATOM 1123 CG HIS A 72 -10.568 -8.684 1.609 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -10.677 -9.944 1.071 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -11.803 -8.233 1.934 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -11.970 -10.230 1.085 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -12.689 -9.225 1.600 1.00 0.00 N ATOM 0 H HIS A 72 -7.304 -6.205 1.626 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.745 -7.946 -0.297 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.492 -8.774 2.036 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.289 -7.327 2.621 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.044 -7.276 2.372 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.391 -11.157 0.726 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.702 -9.202 1.721 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.388 -6.187 -0.876 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.233 -5.102 -1.359 1.00 0.00 C ATOM 1137 C ILE A 73 -12.376 -4.781 -0.402 1.00 0.00 C ATOM 1138 O ILE A 73 -13.174 -5.650 -0.037 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.796 -5.427 -2.757 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.648 -5.487 -3.758 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.830 -4.395 -3.193 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -9.879 -4.189 -3.852 1.00 0.00 C ATOM 0 H ILE A 73 -10.401 -7.020 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.598 -4.218 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.298 -6.394 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.966 -6.288 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.043 -5.741 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.207 -4.653 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.656 -4.384 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.368 -3.409 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.075 -4.294 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -10.551 -3.390 -4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.456 -3.945 -2.877 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.442 -3.519 0.004 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.527 -3.044 0.842 1.00 0.00 C ATOM 1156 C LEU A 74 -14.655 -2.520 -0.032 1.00 0.00 C ATOM 1157 O LEU A 74 -14.721 -1.331 -0.339 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.048 -1.939 1.793 1.00 0.00 C ATOM 1159 CG LEU A 74 -11.996 -2.358 2.820 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.585 -1.165 3.669 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.526 -3.479 3.701 1.00 0.00 C ATOM 0 H LEU A 74 -11.753 -2.807 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.887 -3.878 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.641 -1.123 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.913 -1.544 2.326 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.119 -2.726 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.835 -1.477 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.167 -0.389 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.457 -0.773 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.763 -3.764 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.417 -3.138 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.778 -4.340 3.082 1.00 0.00 H new ATOM 1173 N ALA A 75 -15.513 -3.424 -0.465 1.00 0.00 N ATOM 1174 CA ALA A 75 -16.625 -3.070 -1.325 1.00 0.00 C ATOM 1175 C ALA A 75 -17.782 -4.026 -1.099 1.00 0.00 C ATOM 1176 O ALA A 75 -17.688 -4.934 -0.275 1.00 0.00 O ATOM 1177 CB ALA A 75 -16.194 -3.084 -2.784 1.00 0.00 C ATOM 0 H ALA A 75 -15.460 -4.416 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.954 -2.061 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.041 -2.816 -3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.388 -2.365 -2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.844 -4.081 -3.050 1.00 0.00 H new ATOM 1183 N GLY A 76 -18.857 -3.833 -1.844 1.00 0.00 N ATOM 1184 CA GLY A 76 -20.042 -4.634 -1.653 1.00 0.00 C ATOM 1185 C GLY A 76 -21.126 -3.854 -0.945 1.00 0.00 C ATOM 1186 O GLY A 76 -21.699 -2.922 -1.513 1.00 0.00 O ATOM 0 H GLY A 76 -18.929 -3.132 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.411 -4.977 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -19.793 -5.523 -1.073 1.00 0.00 H new ATOM 1190 N ASP A 77 -21.384 -4.203 0.304 1.00 0.00 N ATOM 1191 CA ASP A 77 -22.441 -3.561 1.068 1.00 0.00 C ATOM 1192 C ASP A 77 -22.247 -3.837 2.555 1.00 0.00 C ATOM 1193 O ASP A 77 -21.365 -4.615 2.926 1.00 0.00 O ATOM 1194 CB ASP A 77 -23.809 -4.062 0.590 1.00 0.00 C ATOM 1195 CG ASP A 77 -24.970 -3.332 1.234 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -24.929 -2.082 1.302 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -25.930 -4.003 1.666 1.00 0.00 O ATOM 0 H ASP A 77 -20.876 -4.928 0.811 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.398 -2.483 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.872 -3.949 -0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.894 -5.127 0.805 1.00 0.00 H new ATOM 1202 N GLU A 78 -23.063 -3.188 3.387 1.00 0.00 N ATOM 1203 CA GLU A 78 -22.983 -3.306 4.843 1.00 0.00 C ATOM 1204 C GLU A 78 -21.711 -2.641 5.368 1.00 0.00 C ATOM 1205 O GLU A 78 -20.632 -3.241 5.376 1.00 0.00 O ATOM 1206 CB GLU A 78 -23.043 -4.773 5.287 1.00 0.00 C ATOM 1207 CG GLU A 78 -23.041 -4.958 6.795 1.00 0.00 C ATOM 1208 CD GLU A 78 -22.731 -6.382 7.194 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -23.664 -7.208 7.260 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -21.545 -6.682 7.439 1.00 0.00 O ATOM 0 H GLU A 78 -23.802 -2.562 3.067 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.846 -2.791 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.942 -5.231 4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -22.192 -5.306 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -22.305 -4.289 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -24.014 -4.674 7.196 1.00 0.00 H new ATOM 1217 N GLY A 79 -21.845 -1.392 5.784 1.00 0.00 N ATOM 1218 CA GLY A 79 -20.714 -0.646 6.293 1.00 0.00 C ATOM 1219 C GLY A 79 -21.162 0.545 7.110 1.00 0.00 C ATOM 1220 O GLY A 79 -22.283 0.561 7.616 1.00 0.00 O ATOM 0 H GLY A 79 -22.726 -0.877 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -20.093 -1.298 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -20.096 -0.307 5.462 1.00 0.00 H new ATOM 1224 N HIS A 80 -20.297 1.538 7.233 1.00 0.00 N ATOM 1225 CA HIS A 80 -20.605 2.740 7.997 1.00 0.00 C ATOM 1226 C HIS A 80 -20.691 3.936 7.049 1.00 0.00 C ATOM 1227 O HIS A 80 -19.690 4.600 6.780 1.00 0.00 O ATOM 1228 CB HIS A 80 -19.545 2.971 9.079 1.00 0.00 C ATOM 1229 CG HIS A 80 -19.997 3.873 10.188 1.00 0.00 C ATOM 1230 ND1 HIS A 80 -20.529 3.364 11.346 1.00 0.00 N ATOM 1231 CD2 HIS A 80 -19.969 5.222 10.271 1.00 0.00 C ATOM 1232 CE1 HIS A 80 -20.813 4.407 12.105 1.00 0.00 C ATOM 1233 NE2 HIS A 80 -20.492 5.556 11.495 1.00 0.00 N ATOM 0 H HIS A 80 -19.368 1.537 6.811 1.00 0.00 H new ATOM 0 HA HIS A 80 -21.567 2.617 8.495 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -19.255 2.009 9.501 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -18.655 3.397 8.617 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -19.605 5.906 9.518 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -21.248 4.342 13.091 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -20.613 6.497 11.868 1.00 0.00 H new ATOM 1241 N PRO A 81 -21.886 4.181 6.490 1.00 0.00 N ATOM 1242 CA PRO A 81 -22.087 5.161 5.416 1.00 0.00 C ATOM 1243 C PRO A 81 -21.939 6.616 5.865 1.00 0.00 C ATOM 1244 O PRO A 81 -22.770 7.141 6.609 1.00 0.00 O ATOM 1245 CB PRO A 81 -23.529 4.898 4.945 1.00 0.00 C ATOM 1246 CG PRO A 81 -23.951 3.629 5.611 1.00 0.00 C ATOM 1247 CD PRO A 81 -23.148 3.539 6.874 1.00 0.00 C ATOM 0 HA PRO A 81 -21.330 5.040 4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -24.187 5.722 5.222 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -23.575 4.804 3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -25.019 3.638 5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -23.764 2.769 4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -23.632 4.057 7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -22.999 2.506 7.188 1.00 0.00 H new ATOM 1255 N HIS A 82 -20.869 7.253 5.409 1.00 0.00 N ATOM 1256 CA HIS A 82 -20.684 8.689 5.585 1.00 0.00 C ATOM 1257 C HIS A 82 -20.791 9.397 4.240 1.00 0.00 C ATOM 1258 O HIS A 82 -21.459 10.425 4.114 1.00 0.00 O ATOM 1259 CB HIS A 82 -19.323 9.007 6.213 1.00 0.00 C ATOM 1260 CG HIS A 82 -19.274 8.837 7.700 1.00 0.00 C ATOM 1261 ND1 HIS A 82 -19.801 9.784 8.546 1.00 0.00 N ATOM 1262 CD2 HIS A 82 -18.730 7.842 8.432 1.00 0.00 C ATOM 1263 CE1 HIS A 82 -19.560 9.347 9.768 1.00 0.00 C ATOM 1264 NE2 HIS A 82 -18.912 8.174 9.751 1.00 0.00 N ATOM 0 H HIS A 82 -20.108 6.793 4.909 1.00 0.00 H new ATOM 0 HA HIS A 82 -21.466 9.043 6.257 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -18.568 8.364 5.761 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.054 10.034 5.968 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -18.245 6.955 8.053 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -19.849 9.869 10.668 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -18.612 7.633 10.562 1.00 0.00 H new ATOM 1272 N GLY A 83 -20.141 8.828 3.235 1.00 0.00 N ATOM 1273 CA GLY A 83 -20.138 9.421 1.915 1.00 0.00 C ATOM 1274 C GLY A 83 -18.880 10.224 1.659 1.00 0.00 C ATOM 1275 O GLY A 83 -18.346 10.861 2.569 1.00 0.00 O ATOM 0 H GLY A 83 -19.612 7.959 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -20.226 8.636 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -21.009 10.067 1.805 1.00 0.00 H new ATOM 1279 N TRP A 84 -18.405 10.195 0.425 1.00 0.00 N ATOM 1280 CA TRP A 84 -17.174 10.878 0.072 1.00 0.00 C ATOM 1281 C TRP A 84 -17.395 11.725 -1.181 1.00 0.00 C ATOM 1282 O TRP A 84 -18.127 11.314 -2.084 1.00 0.00 O ATOM 1283 CB TRP A 84 -16.082 9.827 -0.166 1.00 0.00 C ATOM 1284 CG TRP A 84 -14.682 10.368 -0.142 1.00 0.00 C ATOM 1285 CD1 TRP A 84 -13.891 10.655 -1.215 1.00 0.00 C ATOM 1286 CD2 TRP A 84 -13.908 10.675 1.022 1.00 0.00 C ATOM 1287 NE1 TRP A 84 -12.671 11.121 -0.788 1.00 0.00 N ATOM 1288 CE2 TRP A 84 -12.659 11.145 0.581 1.00 0.00 C ATOM 1289 CE3 TRP A 84 -14.155 10.604 2.397 1.00 0.00 C ATOM 1290 CZ2 TRP A 84 -11.655 11.538 1.463 1.00 0.00 C ATOM 1291 CZ3 TRP A 84 -13.158 10.991 3.272 1.00 0.00 C ATOM 1292 CH2 TRP A 84 -11.922 11.454 2.803 1.00 0.00 C ATOM 0 H TRP A 84 -18.854 9.705 -0.349 1.00 0.00 H new ATOM 0 HA TRP A 84 -16.864 11.542 0.879 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -16.171 9.050 0.594 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -16.258 9.351 -1.131 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -14.181 10.534 -2.248 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -11.900 11.403 -1.393 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -15.107 10.253 2.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -10.702 11.896 1.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -13.335 10.936 4.336 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -11.164 11.751 3.513 1.00 0.00 H new ATOM 1303 N PRO A 85 -16.787 12.922 -1.252 1.00 0.00 N ATOM 1304 CA PRO A 85 -16.900 13.801 -2.425 1.00 0.00 C ATOM 1305 C PRO A 85 -16.283 13.185 -3.679 1.00 0.00 C ATOM 1306 O PRO A 85 -16.939 13.071 -4.716 1.00 0.00 O ATOM 1307 CB PRO A 85 -16.135 15.066 -2.012 1.00 0.00 C ATOM 1308 CG PRO A 85 -15.243 14.633 -0.897 1.00 0.00 C ATOM 1309 CD PRO A 85 -15.982 13.539 -0.181 1.00 0.00 C ATOM 0 HA PRO A 85 -17.941 13.989 -2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.558 15.468 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -16.818 15.852 -1.689 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.287 14.274 -1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -15.027 15.463 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -15.299 12.822 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.609 13.933 0.619 1.00 0.00 H new ATOM 1317 N GLY A 86 -15.025 12.781 -3.574 1.00 0.00 N ATOM 1318 CA GLY A 86 -14.335 12.190 -4.700 1.00 0.00 C ATOM 1319 C GLY A 86 -13.416 13.181 -5.382 1.00 0.00 C ATOM 1320 O GLY A 86 -12.933 14.122 -4.752 1.00 0.00 O ATOM 0 H GLY A 86 -14.468 12.853 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.755 11.331 -4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.065 11.818 -5.419 1.00 0.00 H new ATOM 1324 N PHE A 87 -13.180 12.980 -6.669 1.00 0.00 N ATOM 1325 CA PHE A 87 -12.299 13.852 -7.429 1.00 0.00 C ATOM 1326 C PHE A 87 -12.998 14.353 -8.682 1.00 0.00 C ATOM 1327 O PHE A 87 -13.154 13.613 -9.655 1.00 0.00 O ATOM 1328 CB PHE A 87 -11.004 13.131 -7.814 1.00 0.00 C ATOM 1329 CG PHE A 87 -10.106 12.825 -6.651 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -9.441 13.847 -5.989 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -9.914 11.521 -6.225 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -8.605 13.572 -4.924 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -9.080 11.240 -5.162 1.00 0.00 C ATOM 1334 CZ PHE A 87 -8.424 12.267 -4.509 1.00 0.00 C ATOM 0 H PHE A 87 -13.588 12.218 -7.210 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.046 14.702 -6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.256 12.199 -8.320 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.458 13.745 -8.530 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.578 14.869 -6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -10.423 10.714 -6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.094 14.377 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.940 10.219 -4.840 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.772 12.049 -3.676 1.00 0.00 H new ATOM 1344 N ARG A 88 -13.428 15.605 -8.646 1.00 0.00 N ATOM 1345 CA ARG A 88 -14.069 16.230 -9.797 1.00 0.00 C ATOM 1346 C ARG A 88 -13.015 16.739 -10.775 1.00 0.00 C ATOM 1347 O ARG A 88 -13.334 17.242 -11.854 1.00 0.00 O ATOM 1348 CB ARG A 88 -14.957 17.391 -9.346 1.00 0.00 C ATOM 1349 CG ARG A 88 -14.179 18.531 -8.710 1.00 0.00 C ATOM 1350 CD ARG A 88 -15.086 19.690 -8.346 1.00 0.00 C ATOM 1351 NE ARG A 88 -14.342 20.805 -7.764 1.00 0.00 N ATOM 1352 CZ ARG A 88 -14.611 22.086 -8.010 1.00 0.00 C ATOM 1353 NH1 ARG A 88 -15.592 22.413 -8.844 1.00 0.00 N ATOM 1354 NH2 ARG A 88 -13.897 23.038 -7.423 1.00 0.00 N ATOM 0 H ARG A 88 -13.345 16.211 -7.830 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.687 15.483 -10.295 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.509 17.772 -10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.693 17.020 -8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.671 18.171 -7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.407 18.874 -9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.613 20.032 -9.237 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.842 19.350 -7.639 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.571 20.589 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.141 21.682 -9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.796 23.395 -9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.142 22.789 -6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.103 24.019 -7.611 1.00 0.00 H new ATOM 1368 N ARG A 89 -11.757 16.617 -10.382 1.00 0.00 N ATOM 1369 CA ARG A 89 -10.654 17.062 -11.210 1.00 0.00 C ATOM 1370 C ARG A 89 -9.647 15.942 -11.419 1.00 0.00 C ATOM 1371 O ARG A 89 -9.267 15.241 -10.479 1.00 0.00 O ATOM 1372 CB ARG A 89 -9.979 18.289 -10.594 1.00 0.00 C ATOM 1373 CG ARG A 89 -10.811 19.562 -10.705 1.00 0.00 C ATOM 1374 CD ARG A 89 -10.800 20.136 -12.118 1.00 0.00 C ATOM 1375 NE ARG A 89 -11.284 19.188 -13.122 1.00 0.00 N ATOM 1376 CZ ARG A 89 -10.797 19.104 -14.359 1.00 0.00 C ATOM 1377 NH1 ARG A 89 -9.860 19.953 -14.773 1.00 0.00 N ATOM 1378 NH2 ARG A 89 -11.249 18.177 -15.187 1.00 0.00 N ATOM 0 H ARG A 89 -11.476 16.211 -9.489 1.00 0.00 H new ATOM 0 HA ARG A 89 -11.053 17.343 -12.185 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.772 18.090 -9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.018 18.449 -11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.838 19.350 -10.409 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.426 20.307 -10.009 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.418 21.033 -12.145 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.785 20.441 -12.373 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.039 18.554 -12.859 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.510 20.674 -14.142 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.491 19.883 -15.722 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.971 17.526 -14.878 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.876 18.113 -16.134 1.00 0.00 H new ATOM 1392 N ARG A 90 -9.238 15.777 -12.664 1.00 0.00 N ATOM 1393 CA ARG A 90 -8.279 14.756 -13.042 1.00 0.00 C ATOM 1394 C ARG A 90 -7.366 15.306 -14.122 1.00 0.00 C ATOM 1395 O ARG A 90 -7.790 16.148 -14.921 1.00 0.00 O ATOM 1396 CB ARG A 90 -9.011 13.509 -13.550 1.00 0.00 C ATOM 1397 CG ARG A 90 -9.903 13.785 -14.749 1.00 0.00 C ATOM 1398 CD ARG A 90 -10.711 12.563 -15.148 1.00 0.00 C ATOM 1399 NE ARG A 90 -11.584 12.847 -16.284 1.00 0.00 N ATOM 1400 CZ ARG A 90 -12.771 12.282 -16.480 1.00 0.00 C ATOM 1401 NH1 ARG A 90 -13.238 11.387 -15.615 1.00 0.00 N ATOM 1402 NH2 ARG A 90 -13.488 12.622 -17.543 1.00 0.00 N ATOM 0 H ARG A 90 -9.563 16.349 -13.443 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.683 14.476 -12.173 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.277 12.749 -13.819 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.616 13.097 -12.743 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.580 14.607 -14.516 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.290 14.105 -15.591 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.036 11.746 -15.402 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.311 12.229 -14.301 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.261 13.525 -16.974 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.685 11.131 -14.797 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.149 10.956 -15.769 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.127 13.312 -18.202 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.400 12.193 -17.701 1.00 0.00 H new ATOM 1416 N HIS A 91 -6.120 14.839 -14.130 1.00 0.00 N ATOM 1417 CA HIS A 91 -5.126 15.281 -15.106 1.00 0.00 C ATOM 1418 C HIS A 91 -4.861 16.782 -14.995 1.00 0.00 C ATOM 1419 O HIS A 91 -5.274 17.434 -14.028 1.00 0.00 O ATOM 1420 CB HIS A 91 -5.574 14.936 -16.533 1.00 0.00 C ATOM 1421 CG HIS A 91 -5.703 13.467 -16.796 1.00 0.00 C ATOM 1422 ND1 HIS A 91 -6.926 12.883 -17.017 1.00 0.00 N ATOM 1423 CD2 HIS A 91 -4.739 12.522 -16.880 1.00 0.00 C ATOM 1424 CE1 HIS A 91 -6.681 11.603 -17.232 1.00 0.00 C ATOM 1425 NE2 HIS A 91 -5.370 11.339 -17.158 1.00 0.00 N ATOM 0 H HIS A 91 -5.772 14.148 -13.465 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.198 14.753 -14.886 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.534 15.414 -16.726 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.859 15.359 -17.239 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.677 12.672 -16.752 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.440 10.864 -17.441 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.926 10.429 -17.285 1.00 0.00 H new ATOM 1433 N ARG A 92 -4.143 17.311 -15.977 1.00 0.00 N ATOM 1434 CA ARG A 92 -3.859 18.737 -16.063 1.00 0.00 C ATOM 1435 C ARG A 92 -3.214 19.050 -17.406 1.00 0.00 C ATOM 1436 O ARG A 92 -2.404 19.971 -17.517 1.00 0.00 O ATOM 1437 CB ARG A 92 -2.948 19.187 -14.919 1.00 0.00 C ATOM 1438 CG ARG A 92 -1.615 18.461 -14.862 1.00 0.00 C ATOM 1439 CD ARG A 92 -0.743 19.011 -13.745 1.00 0.00 C ATOM 1440 NE ARG A 92 -1.374 18.876 -12.430 1.00 0.00 N ATOM 1441 CZ ARG A 92 -1.649 19.903 -11.624 1.00 0.00 C ATOM 1442 NH1 ARG A 92 -1.400 21.142 -12.017 1.00 0.00 N ATOM 1443 NH2 ARG A 92 -2.180 19.685 -10.429 1.00 0.00 N ATOM 0 H ARG A 92 -3.741 16.763 -16.737 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.798 19.283 -15.977 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.762 20.257 -15.017 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.470 19.039 -13.974 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.783 17.396 -14.706 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.099 18.565 -15.816 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.213 18.488 -13.742 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -0.530 20.063 -13.937 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.618 17.939 -12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.997 21.314 -12.938 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.611 21.925 -11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.378 18.732 -10.125 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.390 20.471 -9.813 1.00 0.00 H new ATOM 1457 N PHE A 93 -3.604 18.278 -18.419 1.00 0.00 N ATOM 1458 CA PHE A 93 -3.041 18.378 -19.766 1.00 0.00 C ATOM 1459 C PHE A 93 -1.595 17.891 -19.805 1.00 0.00 C ATOM 1460 O PHE A 93 -1.026 17.491 -18.784 1.00 0.00 O ATOM 1461 CB PHE A 93 -3.144 19.808 -20.315 1.00 0.00 C ATOM 1462 CG PHE A 93 -4.553 20.239 -20.609 1.00 0.00 C ATOM 1463 CD1 PHE A 93 -5.155 19.908 -21.811 1.00 0.00 C ATOM 1464 CD2 PHE A 93 -5.275 20.974 -19.683 1.00 0.00 C ATOM 1465 CE1 PHE A 93 -6.451 20.301 -22.087 1.00 0.00 C ATOM 1466 CE2 PHE A 93 -6.572 21.370 -19.951 1.00 0.00 C ATOM 1467 CZ PHE A 93 -7.160 21.033 -21.155 1.00 0.00 C ATOM 0 H PHE A 93 -4.324 17.561 -18.328 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.634 17.727 -20.409 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.705 20.498 -19.594 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.552 19.881 -21.228 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.605 19.335 -22.543 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.819 21.241 -18.741 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -6.908 20.036 -23.029 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -7.125 21.942 -19.220 1.00 0.00 H new ATOM 0 HZ PHE A 93 -8.173 21.342 -21.367 1.00 0.00 H new ATOM 1477 N GLY A 94 -1.015 17.902 -20.995 1.00 0.00 N ATOM 1478 CA GLY A 94 0.336 17.424 -21.179 1.00 0.00 C ATOM 1479 C GLY A 94 0.476 16.698 -22.496 1.00 0.00 C ATOM 1480 O GLY A 94 -0.257 16.990 -23.441 1.00 0.00 O ATOM 0 H GLY A 94 -1.464 18.239 -21.846 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.031 18.263 -21.146 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.604 16.756 -20.361 1.00 0.00 H new ATOM 1484 N LYS A 95 1.400 15.754 -22.569 1.00 0.00 N ATOM 1485 CA LYS A 95 1.585 14.975 -23.783 1.00 0.00 C ATOM 1486 C LYS A 95 1.979 13.541 -23.442 1.00 0.00 C ATOM 1487 O LYS A 95 3.012 13.292 -22.818 1.00 0.00 O ATOM 1488 CB LYS A 95 2.623 15.629 -24.724 1.00 0.00 C ATOM 1489 CG LYS A 95 4.065 15.638 -24.214 1.00 0.00 C ATOM 1490 CD LYS A 95 4.239 16.527 -22.994 1.00 0.00 C ATOM 1491 CE LYS A 95 5.624 16.381 -22.392 1.00 0.00 C ATOM 1492 NZ LYS A 95 5.709 17.014 -21.050 1.00 0.00 N ATOM 0 H LYS A 95 2.031 15.509 -21.806 1.00 0.00 H new ATOM 0 HA LYS A 95 0.634 14.953 -24.316 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.598 15.108 -25.681 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.317 16.658 -24.914 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.367 14.620 -23.965 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.727 15.982 -25.009 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.070 17.567 -23.273 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.488 16.272 -22.247 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.877 15.324 -22.312 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.359 16.835 -23.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.670 16.894 -20.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.492 18.028 -21.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.025 16.563 -20.410 1.00 0.00 H new ATOM 1506 N ARG A 96 1.129 12.602 -23.816 1.00 0.00 N ATOM 1507 CA ARG A 96 1.421 11.193 -23.607 1.00 0.00 C ATOM 1508 C ARG A 96 1.788 10.546 -24.933 1.00 0.00 C ATOM 1509 O ARG A 96 0.919 10.209 -25.735 1.00 0.00 O ATOM 1510 CB ARG A 96 0.233 10.462 -22.968 1.00 0.00 C ATOM 1511 CG ARG A 96 0.510 8.992 -22.678 1.00 0.00 C ATOM 1512 CD ARG A 96 1.673 8.821 -21.711 1.00 0.00 C ATOM 1513 NE ARG A 96 2.117 7.430 -21.616 1.00 0.00 N ATOM 1514 CZ ARG A 96 3.341 7.065 -21.230 1.00 0.00 C ATOM 1515 NH1 ARG A 96 4.226 7.986 -20.871 1.00 0.00 N ATOM 1516 NH2 ARG A 96 3.682 5.783 -21.195 1.00 0.00 N ATOM 0 H ARG A 96 0.232 12.788 -24.265 1.00 0.00 H new ATOM 0 HA ARG A 96 2.263 11.116 -22.919 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.035 10.964 -22.038 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -0.629 10.537 -23.631 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.383 8.529 -22.259 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.732 8.472 -23.610 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.506 9.445 -22.035 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.376 9.173 -20.723 1.00 0.00 H new ATOM 0 HE ARG A 96 1.452 6.696 -21.859 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.971 8.973 -20.890 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.162 7.707 -20.576 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.006 5.068 -21.464 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.620 5.513 -20.899 1.00 0.00 H new ATOM 1530 N ALA A 97 3.080 10.404 -25.170 1.00 0.00 N ATOM 1531 CA ALA A 97 3.567 9.822 -26.404 1.00 0.00 C ATOM 1532 C ALA A 97 4.508 8.665 -26.117 1.00 0.00 C ATOM 1533 O ALA A 97 5.620 8.864 -25.619 1.00 0.00 O ATOM 1534 CB ALA A 97 4.262 10.879 -27.251 1.00 0.00 C ATOM 0 H ALA A 97 3.813 10.686 -24.519 1.00 0.00 H new ATOM 0 HA ALA A 97 2.714 9.437 -26.962 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.622 10.426 -28.175 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.557 11.676 -27.488 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.105 11.293 -26.697 1.00 0.00 H new ATOM 1540 N LEU A 98 4.047 7.459 -26.401 1.00 0.00 N ATOM 1541 CA LEU A 98 4.880 6.277 -26.286 1.00 0.00 C ATOM 1542 C LEU A 98 5.646 6.104 -27.590 1.00 0.00 C ATOM 1543 O LEU A 98 5.187 5.432 -28.517 1.00 0.00 O ATOM 1544 CB LEU A 98 4.021 5.040 -25.976 1.00 0.00 C ATOM 1545 CG LEU A 98 4.744 3.867 -25.293 1.00 0.00 C ATOM 1546 CD1 LEU A 98 5.727 3.190 -26.237 1.00 0.00 C ATOM 1547 CD2 LEU A 98 5.460 4.347 -24.038 1.00 0.00 C ATOM 0 H LEU A 98 3.094 7.273 -26.715 1.00 0.00 H new ATOM 0 HA LEU A 98 5.586 6.393 -25.463 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.192 5.349 -25.340 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.589 4.680 -26.910 1.00 0.00 H new ATOM 0 HG LEU A 98 3.992 3.130 -25.013 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.219 2.366 -25.720 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.192 2.806 -27.105 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.475 3.913 -26.563 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.967 3.506 -23.565 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.192 5.109 -24.306 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.734 4.770 -23.344 1.00 0.00 H new ATOM 1559 N GLU A 99 6.793 6.757 -27.666 1.00 0.00 N ATOM 1560 CA GLU A 99 7.580 6.780 -28.886 1.00 0.00 C ATOM 1561 C GLU A 99 8.255 5.436 -29.125 1.00 0.00 C ATOM 1562 O GLU A 99 8.544 4.696 -28.181 1.00 0.00 O ATOM 1563 CB GLU A 99 8.620 7.898 -28.815 1.00 0.00 C ATOM 1564 CG GLU A 99 8.468 8.937 -29.915 1.00 0.00 C ATOM 1565 CD GLU A 99 8.700 8.357 -31.293 1.00 0.00 C ATOM 1566 OE1 GLU A 99 7.732 7.873 -31.916 1.00 0.00 O ATOM 1567 OE2 GLU A 99 9.857 8.376 -31.757 1.00 0.00 O ATOM 0 H GLU A 99 7.201 7.281 -26.892 1.00 0.00 H new ATOM 0 HA GLU A 99 6.911 6.972 -29.725 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.545 8.392 -27.846 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.617 7.461 -28.874 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.468 9.367 -29.869 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.173 9.750 -29.743 1.00 0.00 H new ATOM 1574 N HIS A 100 8.491 5.129 -30.391 1.00 0.00 N ATOM 1575 CA HIS A 100 9.129 3.875 -30.771 1.00 0.00 C ATOM 1576 C HIS A 100 10.635 3.978 -30.595 1.00 0.00 C ATOM 1577 O HIS A 100 11.180 5.078 -30.473 1.00 0.00 O ATOM 1578 CB HIS A 100 8.804 3.523 -32.225 1.00 0.00 C ATOM 1579 CG HIS A 100 7.349 3.279 -32.486 1.00 0.00 C ATOM 1580 ND1 HIS A 100 6.827 2.008 -32.512 1.00 0.00 N ATOM 1581 CD2 HIS A 100 6.356 4.168 -32.732 1.00 0.00 C ATOM 1582 CE1 HIS A 100 5.539 2.150 -32.774 1.00 0.00 C ATOM 1583 NE2 HIS A 100 5.206 3.441 -32.916 1.00 0.00 N ATOM 0 H HIS A 100 8.250 5.733 -31.177 1.00 0.00 H new ATOM 0 HA HIS A 100 8.744 3.087 -30.124 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.146 4.333 -32.869 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.367 2.633 -32.506 1.00 0.00 H new ATOM 0 HD2 HIS A 100 6.451 5.243 -32.775 1.00 0.00 H new ATOM 0 HE1 HIS A 100 4.843 1.329 -32.863 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.278 3.811 -33.121 1.00 0.00 H new ATOM 1591 N HIS A 101 11.310 2.843 -30.584 1.00 0.00 N ATOM 1592 CA HIS A 101 12.755 2.826 -30.438 1.00 0.00 C ATOM 1593 C HIS A 101 13.387 1.850 -31.424 1.00 0.00 C ATOM 1594 O HIS A 101 12.921 0.718 -31.572 1.00 0.00 O ATOM 1595 CB HIS A 101 13.159 2.479 -28.994 1.00 0.00 C ATOM 1596 CG HIS A 101 12.679 1.139 -28.510 1.00 0.00 C ATOM 1597 ND1 HIS A 101 11.520 1.010 -27.788 1.00 0.00 N ATOM 1598 CD2 HIS A 101 13.247 -0.083 -28.657 1.00 0.00 C ATOM 1599 CE1 HIS A 101 11.410 -0.281 -27.514 1.00 0.00 C ATOM 1600 NE2 HIS A 101 12.432 -0.983 -28.020 1.00 0.00 N ATOM 0 H HIS A 101 10.882 1.922 -30.674 1.00 0.00 H new ATOM 0 HA HIS A 101 13.127 3.826 -30.662 1.00 0.00 H new ATOM 0 HB2 HIS A 101 14.246 2.509 -28.919 1.00 0.00 H new ATOM 0 HB3 HIS A 101 12.772 3.250 -28.328 1.00 0.00 H new ATOM 0 HD2 HIS A 101 14.167 -0.305 -29.177 1.00 0.00 H new ATOM 0 HE1 HIS A 101 10.596 -0.714 -26.952 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.576 -1.990 -27.946 1.00 0.00 H new ATOM 1608 N HIS A 102 14.423 2.323 -32.118 1.00 0.00 N ATOM 1609 CA HIS A 102 15.216 1.497 -33.033 1.00 0.00 C ATOM 1610 C HIS A 102 14.385 1.020 -34.234 1.00 0.00 C ATOM 1611 O HIS A 102 13.177 1.265 -34.319 1.00 0.00 O ATOM 1612 CB HIS A 102 15.808 0.300 -32.274 1.00 0.00 C ATOM 1613 CG HIS A 102 17.153 -0.136 -32.775 1.00 0.00 C ATOM 1614 ND1 HIS A 102 18.310 0.446 -32.313 1.00 0.00 N ATOM 1615 CD2 HIS A 102 17.470 -1.090 -33.682 1.00 0.00 C ATOM 1616 CE1 HIS A 102 19.298 -0.163 -32.947 1.00 0.00 C ATOM 1617 NE2 HIS A 102 18.835 -1.099 -33.785 1.00 0.00 N ATOM 0 H HIS A 102 14.738 3.292 -32.062 1.00 0.00 H new ATOM 0 HA HIS A 102 16.027 2.110 -33.425 1.00 0.00 H new ATOM 0 HB2 HIS A 102 15.891 0.558 -31.218 1.00 0.00 H new ATOM 0 HB3 HIS A 102 15.116 -0.539 -32.344 1.00 0.00 H new ATOM 0 HD2 HIS A 102 16.779 -1.722 -34.220 1.00 0.00 H new ATOM 0 HE1 HIS A 102 20.344 0.065 -32.807 1.00 0.00 H new ATOM 0 HE2 HIS A 102 19.394 -1.704 -34.386 1.00 0.00 H new ATOM 1625 N HIS A 103 15.047 0.366 -35.178 1.00 0.00 N ATOM 1626 CA HIS A 103 14.376 -0.190 -36.344 1.00 0.00 C ATOM 1627 C HIS A 103 14.389 -1.715 -36.286 1.00 0.00 C ATOM 1628 O HIS A 103 15.359 -2.313 -35.814 1.00 0.00 O ATOM 1629 CB HIS A 103 15.034 0.305 -37.642 1.00 0.00 C ATOM 1630 CG HIS A 103 16.510 0.026 -37.743 1.00 0.00 C ATOM 1631 ND1 HIS A 103 17.444 0.956 -37.352 1.00 0.00 N ATOM 1632 CD2 HIS A 103 17.151 -1.076 -38.202 1.00 0.00 C ATOM 1633 CE1 HIS A 103 18.624 0.402 -37.579 1.00 0.00 C ATOM 1634 NE2 HIS A 103 18.497 -0.828 -38.094 1.00 0.00 N ATOM 0 H HIS A 103 16.054 0.207 -35.158 1.00 0.00 H new ATOM 0 HA HIS A 103 13.341 0.151 -36.338 1.00 0.00 H new ATOM 0 HB2 HIS A 103 14.531 -0.161 -38.489 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.874 1.380 -37.728 1.00 0.00 H new ATOM 0 HD2 HIS A 103 16.691 -1.977 -38.580 1.00 0.00 H new ATOM 0 HE1 HIS A 103 19.570 0.881 -37.375 1.00 0.00 H new ATOM 0 HE2 HIS A 103 19.255 -1.459 -38.356 1.00 0.00 H new ATOM 1642 N HIS A 104 13.305 -2.330 -36.762 1.00 0.00 N ATOM 1643 CA HIS A 104 13.162 -3.791 -36.746 1.00 0.00 C ATOM 1644 C HIS A 104 13.235 -4.337 -35.317 1.00 0.00 C ATOM 1645 O HIS A 104 13.053 -3.595 -34.348 1.00 0.00 O ATOM 1646 CB HIS A 104 14.247 -4.461 -37.602 1.00 0.00 C ATOM 1647 CG HIS A 104 14.180 -4.136 -39.066 1.00 0.00 C ATOM 1648 ND1 HIS A 104 15.231 -3.537 -39.716 1.00 0.00 N ATOM 1649 CD2 HIS A 104 13.190 -4.376 -39.958 1.00 0.00 C ATOM 1650 CE1 HIS A 104 14.863 -3.429 -40.981 1.00 0.00 C ATOM 1651 NE2 HIS A 104 13.636 -3.924 -41.174 1.00 0.00 N ATOM 0 H HIS A 104 12.508 -1.838 -37.166 1.00 0.00 H new ATOM 0 HA HIS A 104 12.183 -4.024 -37.165 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.225 -4.165 -37.222 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.172 -5.541 -37.480 1.00 0.00 H new ATOM 0 HD2 HIS A 104 12.234 -4.835 -39.752 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.475 -2.996 -41.759 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.128 -3.959 -42.058 1.00 0.00 H new ATOM 1659 N HIS A 105 13.451 -5.649 -35.217 1.00 0.00 N ATOM 1660 CA HIS A 105 13.723 -6.326 -33.949 1.00 0.00 C ATOM 1661 C HIS A 105 12.494 -6.336 -33.044 1.00 0.00 C ATOM 1662 O HIS A 105 11.643 -7.230 -33.226 1.00 0.00 O ATOM 1663 CB HIS A 105 14.922 -5.684 -33.238 1.00 0.00 C ATOM 1664 CG HIS A 105 15.538 -6.563 -32.200 1.00 0.00 C ATOM 1665 ND1 HIS A 105 16.476 -7.502 -32.539 1.00 0.00 N ATOM 1666 CD2 HIS A 105 15.329 -6.606 -30.864 1.00 0.00 C ATOM 1667 CE1 HIS A 105 16.818 -8.094 -31.415 1.00 0.00 C ATOM 1668 NE2 HIS A 105 16.150 -7.588 -30.371 1.00 0.00 N ATOM 1669 OXT HIS A 105 12.377 -5.466 -32.156 1.00 0.00 O ATOM 0 H HIS A 105 13.442 -6.277 -36.021 1.00 0.00 H new ATOM 0 HA HIS A 105 13.972 -7.363 -34.174 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.678 -5.425 -33.979 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.602 -4.753 -32.771 1.00 0.00 H new ATOM 0 HD2 HIS A 105 14.649 -5.988 -30.297 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.546 -8.888 -31.344 1.00 0.00 H new ATOM 0 HE2 HIS A 105 16.235 -7.877 -29.397 1.00 0.00 H new TER 1677 HIS A 105