USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 767 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 70 ASN : amide:sc= 1.42 K(o=1.4,f=-4!) USER MOD Set 1.2: A 82 TYR OH : rot -156:sc= 0.0278 USER MOD Set 2.1: A 19 GLN : amide:sc= 0 X(o=-0.88,f=-0.58) USER MOD Set 2.2: A 22 HIS : no HD1:sc= -0.272 X(o=-0.88,f=-0.58) USER MOD Set 2.3: A 45 MET CE :methyl -124:sc= -0.606 (180deg=-1.42) USER MOD Set 3.1: A 33 THR OG1 : rot -130:sc= 0.511 USER MOD Set 3.2: A 80 LYS NZ :NH3+ -161:sc= 0.565 (180deg=-0.131) USER MOD Single : A 1 MET CE :methyl 169:sc= -0.215 (180deg=-0.59) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.328 (180deg=-0.669) USER MOD Single : A 3 ASN : amide:sc= -0.0492 X(o=-0.049,f=-0.049) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -113:sc= -3.13 (180deg=-5.35!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.5) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.671 K(o=0.67,f=-0.29) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -103:sc= 1.92 USER MOD Single : A 72 THR OG1 : rot 83:sc= 0.621 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.572 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.967 7.967 4.196 1.00 0.00 N ATOM 2 CA MET A 1 -12.719 9.128 5.095 1.00 0.00 C ATOM 3 C MET A 1 -11.322 9.716 4.887 1.00 0.00 C ATOM 4 O MET A 1 -11.182 10.891 4.546 1.00 0.00 O ATOM 5 CB MET A 1 -12.899 8.675 6.548 1.00 0.00 C ATOM 6 CG MET A 1 -14.304 8.901 7.084 1.00 0.00 C ATOM 7 SD MET A 1 -14.449 10.430 8.029 1.00 0.00 S ATOM 8 CE MET A 1 -14.416 11.648 6.715 1.00 0.00 C ATOM 0 H1 MET A 1 -13.820 7.461 4.509 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.103 8.305 3.222 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.151 7.323 4.228 1.00 0.00 H new ATOM 0 HA MET A 1 -13.435 9.915 4.858 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.656 7.615 6.622 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.188 9.210 7.178 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.007 8.925 6.251 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.587 8.059 7.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.691 12.624 7.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.413 11.699 6.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.124 11.363 5.937 1.00 0.00 H new ATOM 20 N VAL A 2 -10.295 8.893 5.096 1.00 0.00 N ATOM 21 CA VAL A 2 -8.908 9.333 4.934 1.00 0.00 C ATOM 22 C VAL A 2 -8.334 8.905 3.583 1.00 0.00 C ATOM 23 O VAL A 2 -7.926 7.756 3.403 1.00 0.00 O ATOM 24 CB VAL A 2 -8.001 8.799 6.066 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.382 9.426 7.397 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.063 7.279 6.150 1.00 0.00 C ATOM 0 H VAL A 2 -10.396 7.918 5.378 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.925 10.422 4.982 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.974 9.079 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.732 9.038 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.269 10.508 7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.418 9.182 7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.415 6.932 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.088 6.967 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.730 6.849 5.206 1.00 0.00 H new ATOM 36 N ASN A 3 -8.302 9.842 2.634 1.00 0.00 N ATOM 37 CA ASN A 3 -7.778 9.568 1.297 1.00 0.00 C ATOM 38 C ASN A 3 -6.253 9.658 1.279 1.00 0.00 C ATOM 39 O ASN A 3 -5.675 10.666 1.689 1.00 0.00 O ATOM 40 CB ASN A 3 -8.366 10.552 0.282 1.00 0.00 C ATOM 41 CG ASN A 3 -9.620 10.020 -0.388 1.00 0.00 C ATOM 42 OD1 ASN A 3 -9.565 9.069 -1.168 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.759 10.635 -0.089 1.00 0.00 N ATOM 0 H ASN A 3 -8.633 10.797 2.768 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.070 8.554 1.023 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.597 11.491 0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.618 10.773 -0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.633 10.323 -0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.759 11.419 0.563 1.00 0.00 H new ATOM 50 N VAL A 4 -5.610 8.595 0.801 1.00 0.00 N ATOM 51 CA VAL A 4 -4.152 8.546 0.727 1.00 0.00 C ATOM 52 C VAL A 4 -3.675 8.386 -0.717 1.00 0.00 C ATOM 53 O VAL A 4 -4.288 7.665 -1.506 1.00 0.00 O ATOM 54 CB VAL A 4 -3.584 7.388 1.575 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.734 7.685 3.062 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.264 6.074 1.214 1.00 0.00 C ATOM 0 H VAL A 4 -6.077 7.755 0.459 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.785 9.493 1.124 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.521 7.292 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.327 6.856 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.193 8.599 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.789 7.813 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.849 5.271 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.335 6.155 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.095 5.855 0.160 1.00 0.00 H new ATOM 66 N LYS A 5 -2.574 9.062 -1.053 1.00 0.00 N ATOM 67 CA LYS A 5 -2.010 8.995 -2.400 1.00 0.00 C ATOM 68 C LYS A 5 -0.881 7.967 -2.467 1.00 0.00 C ATOM 69 O LYS A 5 0.235 8.230 -2.016 1.00 0.00 O ATOM 70 CB LYS A 5 -1.488 10.371 -2.828 1.00 0.00 C ATOM 71 CG LYS A 5 -1.463 10.577 -4.335 1.00 0.00 C ATOM 72 CD LYS A 5 -0.086 11.013 -4.818 1.00 0.00 C ATOM 73 CE LYS A 5 -0.183 11.963 -6.002 1.00 0.00 C ATOM 74 NZ LYS A 5 0.879 13.007 -5.971 1.00 0.00 N ATOM 0 H LYS A 5 -2.057 9.661 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.801 8.686 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.111 11.142 -2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.480 10.505 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.748 9.651 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.202 11.329 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.449 11.500 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.496 10.136 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.106 11.395 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.162 12.442 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.775 13.632 -6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.790 13.567 -5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.814 12.552 -5.997 1.00 0.00 H new ATOM 88 N VAL A 6 -1.180 6.799 -3.033 1.00 0.00 N ATOM 89 CA VAL A 6 -0.189 5.731 -3.162 1.00 0.00 C ATOM 90 C VAL A 6 0.257 5.560 -4.614 1.00 0.00 C ATOM 91 O VAL A 6 -0.484 5.884 -5.543 1.00 0.00 O ATOM 92 CB VAL A 6 -0.731 4.382 -2.638 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.961 4.444 -1.135 1.00 0.00 C ATOM 94 CG2 VAL A 6 -2.010 3.991 -3.367 1.00 0.00 C ATOM 0 H VAL A 6 -2.099 6.568 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 6 0.667 6.027 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 6 0.017 3.614 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.343 3.485 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.020 4.665 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.686 5.227 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.372 3.038 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.768 4.758 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.806 3.896 -4.434 1.00 0.00 H new ATOM 104 N GLU A 7 1.471 5.045 -4.801 1.00 0.00 N ATOM 105 CA GLU A 7 2.018 4.827 -6.139 1.00 0.00 C ATOM 106 C GLU A 7 2.406 3.363 -6.337 1.00 0.00 C ATOM 107 O GLU A 7 2.730 2.665 -5.376 1.00 0.00 O ATOM 108 CB GLU A 7 3.232 5.729 -6.372 1.00 0.00 C ATOM 109 CG GLU A 7 2.913 6.973 -7.188 1.00 0.00 C ATOM 110 CD GLU A 7 3.854 8.123 -6.893 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.934 8.183 -7.518 1.00 0.00 O ATOM 112 OE2 GLU A 7 3.512 8.966 -6.036 1.00 0.00 O ATOM 0 H GLU A 7 2.095 4.771 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 7 1.246 5.079 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.641 6.031 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.007 5.158 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.965 6.730 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.889 7.285 -6.982 1.00 0.00 H new ATOM 119 N PHE A 8 2.371 2.899 -7.587 1.00 0.00 N ATOM 120 CA PHE A 8 2.723 1.513 -7.898 1.00 0.00 C ATOM 121 C PHE A 8 3.579 1.431 -9.159 1.00 0.00 C ATOM 122 O PHE A 8 3.197 1.937 -10.215 1.00 0.00 O ATOM 123 CB PHE A 8 1.463 0.658 -8.058 1.00 0.00 C ATOM 124 CG PHE A 8 0.666 0.536 -6.789 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.115 -0.265 -5.752 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.526 1.225 -6.631 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.392 -0.378 -4.581 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.254 1.116 -5.460 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.794 0.314 -4.435 1.00 0.00 C ATOM 0 H PHE A 8 2.104 3.459 -8.397 1.00 0.00 H new ATOM 0 HA PHE A 8 3.307 1.124 -7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.833 1.092 -8.835 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.748 -0.338 -8.398 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.042 -0.808 -5.861 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.890 1.853 -7.430 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.754 -1.007 -3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.181 1.658 -5.348 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.361 0.228 -3.520 1.00 0.00 H new ATOM 139 N LEU A 9 4.747 0.798 -9.030 1.00 0.00 N ATOM 140 CA LEU A 9 5.680 0.649 -10.148 1.00 0.00 C ATOM 141 C LEU A 9 6.142 -0.801 -10.303 1.00 0.00 C ATOM 142 O LEU A 9 5.858 -1.650 -9.453 1.00 0.00 O ATOM 143 CB LEU A 9 6.902 1.546 -9.931 1.00 0.00 C ATOM 144 CG LEU A 9 6.682 3.043 -10.165 1.00 0.00 C ATOM 145 CD1 LEU A 9 6.125 3.293 -11.560 1.00 0.00 C ATOM 146 CD2 LEU A 9 5.763 3.628 -9.100 1.00 0.00 C ATOM 0 H LEU A 9 5.070 0.379 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 9 5.157 0.944 -11.058 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.255 1.406 -8.909 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.699 1.208 -10.593 1.00 0.00 H new ATOM 0 HG LEU A 9 7.647 3.545 -10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.976 4.363 -11.706 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.828 2.920 -12.305 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.172 2.776 -11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.621 4.692 -9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.798 3.122 -9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.211 3.489 -8.116 1.00 0.00 H new ATOM 158 N GLY A 10 6.868 -1.072 -11.390 1.00 0.00 N ATOM 159 CA GLY A 10 7.373 -2.411 -11.640 1.00 0.00 C ATOM 160 C GLY A 10 6.323 -3.332 -12.228 1.00 0.00 C ATOM 161 O GLY A 10 6.081 -3.318 -13.436 1.00 0.00 O ATOM 0 H GLY A 10 7.114 -0.384 -12.102 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.222 -2.353 -12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.741 -2.836 -10.706 1.00 0.00 H new ATOM 165 N GLY A 11 5.704 -4.138 -11.364 1.00 0.00 N ATOM 166 CA GLY A 11 4.677 -5.074 -11.800 1.00 0.00 C ATOM 167 C GLY A 11 3.296 -4.741 -11.256 1.00 0.00 C ATOM 168 O GLY A 11 2.286 -5.038 -11.898 1.00 0.00 O ATOM 0 H GLY A 11 5.898 -4.159 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.640 -5.082 -12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.953 -6.080 -11.484 1.00 0.00 H new ATOM 172 N LEU A 12 3.247 -4.123 -10.073 1.00 0.00 N ATOM 173 CA LEU A 12 1.981 -3.748 -9.448 1.00 0.00 C ATOM 174 C LEU A 12 1.154 -2.848 -10.366 1.00 0.00 C ATOM 175 O LEU A 12 -0.068 -2.982 -10.435 1.00 0.00 O ATOM 176 CB LEU A 12 2.238 -3.044 -8.116 1.00 0.00 C ATOM 177 CG LEU A 12 2.360 -3.981 -6.910 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.821 -4.197 -6.538 1.00 0.00 C ATOM 179 CD2 LEU A 12 1.571 -3.435 -5.726 1.00 0.00 C ATOM 0 H LEU A 12 4.073 -3.872 -9.530 1.00 0.00 H new ATOM 0 HA LEU A 12 1.413 -4.660 -9.267 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.155 -2.461 -8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.427 -2.339 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 12 1.937 -4.948 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.883 -4.865 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.350 -4.640 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.278 -3.240 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.670 -4.114 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.959 -2.454 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.520 -3.346 -5.999 1.00 0.00 H new ATOM 191 N ASP A 13 1.826 -1.940 -11.079 1.00 0.00 N ATOM 192 CA ASP A 13 1.144 -1.031 -12.004 1.00 0.00 C ATOM 193 C ASP A 13 0.421 -1.808 -13.107 1.00 0.00 C ATOM 194 O ASP A 13 -0.679 -1.436 -13.517 1.00 0.00 O ATOM 195 CB ASP A 13 2.123 -0.017 -12.631 1.00 0.00 C ATOM 196 CG ASP A 13 3.460 -0.612 -13.060 1.00 0.00 C ATOM 197 OD1 ASP A 13 3.560 -1.848 -13.202 1.00 0.00 O ATOM 198 OD2 ASP A 13 4.411 0.168 -13.262 1.00 0.00 O ATOM 0 H ASP A 13 2.837 -1.815 -11.034 1.00 0.00 H new ATOM 0 HA ASP A 13 0.407 -0.478 -11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.647 0.439 -13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.309 0.782 -11.913 1.00 0.00 H new ATOM 203 N ALA A 14 1.040 -2.889 -13.584 1.00 0.00 N ATOM 204 CA ALA A 14 0.444 -3.707 -14.638 1.00 0.00 C ATOM 205 C ALA A 14 -0.788 -4.453 -14.133 1.00 0.00 C ATOM 206 O ALA A 14 -1.765 -4.616 -14.863 1.00 0.00 O ATOM 207 CB ALA A 14 1.462 -4.692 -15.193 1.00 0.00 C ATOM 0 H ALA A 14 1.949 -3.216 -13.258 1.00 0.00 H new ATOM 0 HA ALA A 14 0.130 -3.036 -15.438 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.999 -5.292 -15.976 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.309 -4.145 -15.608 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.809 -5.346 -14.393 1.00 0.00 H new ATOM 213 N ILE A 15 -0.737 -4.904 -12.882 1.00 0.00 N ATOM 214 CA ILE A 15 -1.852 -5.635 -12.288 1.00 0.00 C ATOM 215 C ILE A 15 -3.036 -4.711 -12.002 1.00 0.00 C ATOM 216 O ILE A 15 -4.191 -5.122 -12.111 1.00 0.00 O ATOM 217 CB ILE A 15 -1.438 -6.347 -10.983 1.00 0.00 C ATOM 218 CG1 ILE A 15 -0.152 -7.156 -11.187 1.00 0.00 C ATOM 219 CG2 ILE A 15 -2.562 -7.252 -10.501 1.00 0.00 C ATOM 220 CD1 ILE A 15 0.486 -7.623 -9.895 1.00 0.00 C ATOM 0 H ILE A 15 0.063 -4.776 -12.262 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.153 -6.386 -13.018 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.245 -5.589 -10.224 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.374 -8.025 -11.807 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.566 -6.548 -11.737 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.259 -7.749 -9.580 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.455 -6.655 -10.315 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.779 -8.001 -11.263 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.391 -8.188 -10.119 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.741 -6.759 -9.282 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.214 -8.259 -9.353 1.00 0.00 H new ATOM 232 N PHE A 16 -2.746 -3.461 -11.637 1.00 0.00 N ATOM 233 CA PHE A 16 -3.796 -2.489 -11.336 1.00 0.00 C ATOM 234 C PHE A 16 -4.483 -1.990 -12.608 1.00 0.00 C ATOM 235 O PHE A 16 -5.683 -1.711 -12.601 1.00 0.00 O ATOM 236 CB PHE A 16 -3.225 -1.305 -10.555 1.00 0.00 C ATOM 237 CG PHE A 16 -3.155 -1.540 -9.071 1.00 0.00 C ATOM 238 CD1 PHE A 16 -4.305 -1.794 -8.337 1.00 0.00 C ATOM 239 CD2 PHE A 16 -1.938 -1.510 -8.411 1.00 0.00 C ATOM 240 CE1 PHE A 16 -4.238 -2.014 -6.974 1.00 0.00 C ATOM 241 CE2 PHE A 16 -1.866 -1.730 -7.049 1.00 0.00 C ATOM 242 CZ PHE A 16 -3.018 -1.982 -6.330 1.00 0.00 C ATOM 0 H PHE A 16 -1.797 -3.100 -11.543 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.542 -2.995 -10.724 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.225 -1.084 -10.927 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.838 -0.424 -10.746 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.262 -1.820 -8.836 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.034 -1.312 -8.968 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.140 -2.211 -6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.910 -1.705 -6.547 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.964 -2.154 -5.265 1.00 0.00 H new ATOM 252 N GLY A 17 -3.719 -1.877 -13.693 1.00 0.00 N ATOM 253 CA GLY A 17 -4.272 -1.410 -14.955 1.00 0.00 C ATOM 254 C GLY A 17 -3.435 -0.310 -15.583 1.00 0.00 C ATOM 255 O GLY A 17 -3.971 0.703 -16.035 1.00 0.00 O ATOM 0 H GLY A 17 -2.724 -2.101 -13.721 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.345 -2.248 -15.648 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.285 -1.043 -14.791 1.00 0.00 H new ATOM 259 N LYS A 18 -2.117 -0.512 -15.606 1.00 0.00 N ATOM 260 CA LYS A 18 -1.191 0.466 -16.176 1.00 0.00 C ATOM 261 C LYS A 18 -1.339 1.826 -15.485 1.00 0.00 C ATOM 262 O LYS A 18 -1.217 2.874 -16.123 1.00 0.00 O ATOM 263 CB LYS A 18 -1.426 0.610 -17.687 1.00 0.00 C ATOM 264 CG LYS A 18 -0.960 -0.590 -18.500 1.00 0.00 C ATOM 265 CD LYS A 18 -1.753 -1.846 -18.160 1.00 0.00 C ATOM 266 CE LYS A 18 -2.006 -2.704 -19.390 1.00 0.00 C ATOM 267 NZ LYS A 18 -1.971 -4.162 -19.074 1.00 0.00 N ATOM 0 H LYS A 18 -1.666 -1.348 -15.235 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.175 0.107 -16.011 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.490 0.767 -17.866 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.908 1.501 -18.042 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.063 -0.371 -19.563 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.099 -0.767 -18.313 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.210 -2.429 -17.416 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.705 -1.564 -17.711 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.976 -2.449 -19.816 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.256 -2.480 -20.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.148 -4.709 -19.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.037 -4.412 -18.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.704 -4.382 -18.370 1.00 0.00 H new ATOM 281 N GLN A 19 -1.602 1.800 -14.177 1.00 0.00 N ATOM 282 CA GLN A 19 -1.769 3.026 -13.398 1.00 0.00 C ATOM 283 C GLN A 19 -0.470 3.405 -12.690 1.00 0.00 C ATOM 284 O GLN A 19 0.428 2.576 -12.538 1.00 0.00 O ATOM 285 CB GLN A 19 -2.891 2.853 -12.367 1.00 0.00 C ATOM 286 CG GLN A 19 -3.981 3.910 -12.464 1.00 0.00 C ATOM 287 CD GLN A 19 -4.918 3.895 -11.269 1.00 0.00 C ATOM 288 OE1 GLN A 19 -4.478 3.935 -10.120 1.00 0.00 O ATOM 289 NE2 GLN A 19 -6.220 3.837 -11.532 1.00 0.00 N ATOM 0 H GLN A 19 -1.704 0.942 -13.635 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.035 3.828 -14.086 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.340 1.868 -12.494 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.460 2.880 -11.366 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.521 4.894 -12.548 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.558 3.749 -13.375 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.544 3.805 -12.499 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.895 3.824 -10.767 1.00 0.00 H new ATOM 298 N ARG A 20 -0.381 4.661 -12.254 1.00 0.00 N ATOM 299 CA ARG A 20 0.806 5.149 -11.553 1.00 0.00 C ATOM 300 C ARG A 20 0.466 5.557 -10.119 1.00 0.00 C ATOM 301 O ARG A 20 1.141 5.144 -9.175 1.00 0.00 O ATOM 302 CB ARG A 20 1.427 6.332 -12.304 1.00 0.00 C ATOM 303 CG ARG A 20 2.079 5.946 -13.623 1.00 0.00 C ATOM 304 CD ARG A 20 3.588 6.144 -13.585 1.00 0.00 C ATOM 305 NE ARG A 20 4.299 5.099 -14.321 1.00 0.00 N ATOM 306 CZ ARG A 20 4.403 5.057 -15.653 1.00 0.00 C ATOM 307 NH1 ARG A 20 3.833 5.997 -16.405 1.00 0.00 N ATOM 308 NH2 ARG A 20 5.077 4.072 -16.235 1.00 0.00 N ATOM 0 H ARG A 20 -1.116 5.358 -12.374 1.00 0.00 H new ATOM 0 HA ARG A 20 1.531 4.336 -11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.653 7.076 -12.495 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.173 6.805 -11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.854 4.903 -13.848 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.654 6.545 -14.428 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.836 7.117 -14.008 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.926 6.151 -12.549 1.00 0.00 H new ATOM 0 HE ARG A 20 4.744 4.355 -13.784 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.313 6.756 -15.965 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.917 5.958 -17.421 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.515 3.348 -15.666 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.157 4.040 -17.251 1.00 0.00 H new ATOM 322 N VAL A 21 -0.584 6.370 -9.964 1.00 0.00 N ATOM 323 CA VAL A 21 -1.011 6.835 -8.645 1.00 0.00 C ATOM 324 C VAL A 21 -2.438 6.380 -8.330 1.00 0.00 C ATOM 325 O VAL A 21 -3.334 6.488 -9.170 1.00 0.00 O ATOM 326 CB VAL A 21 -0.941 8.375 -8.542 1.00 0.00 C ATOM 327 CG1 VAL A 21 -1.169 8.834 -7.108 1.00 0.00 C ATOM 328 CG2 VAL A 21 0.392 8.896 -9.064 1.00 0.00 C ATOM 0 H VAL A 21 -1.152 6.718 -10.736 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.326 6.396 -7.920 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.735 8.788 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.115 9.922 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.152 8.505 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.403 8.405 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.416 9.983 -8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.205 8.469 -8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.510 8.610 -10.109 1.00 0.00 H new ATOM 338 N HIS A 22 -2.641 5.877 -7.109 1.00 0.00 N ATOM 339 CA HIS A 22 -3.955 5.408 -6.668 1.00 0.00 C ATOM 340 C HIS A 22 -4.396 6.133 -5.393 1.00 0.00 C ATOM 341 O HIS A 22 -3.563 6.531 -4.576 1.00 0.00 O ATOM 342 CB HIS A 22 -3.919 3.894 -6.419 1.00 0.00 C ATOM 343 CG HIS A 22 -5.141 3.165 -6.898 1.00 0.00 C ATOM 344 ND1 HIS A 22 -5.249 1.789 -6.878 1.00 0.00 N ATOM 345 CD2 HIS A 22 -6.311 3.622 -7.408 1.00 0.00 C ATOM 346 CE1 HIS A 22 -6.430 1.433 -7.354 1.00 0.00 C ATOM 347 NE2 HIS A 22 -7.093 2.527 -7.682 1.00 0.00 N ATOM 0 H HIS A 22 -1.907 5.784 -6.406 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.675 5.627 -7.456 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.042 3.476 -6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.798 3.715 -5.351 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.579 4.656 -7.569 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.791 0.420 -7.457 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.034 2.554 -8.075 1.00 0.00 H new ATOM 356 N LYS A 23 -5.711 6.300 -5.228 1.00 0.00 N ATOM 357 CA LYS A 23 -6.264 6.974 -4.052 1.00 0.00 C ATOM 358 C LYS A 23 -7.278 6.080 -3.337 1.00 0.00 C ATOM 359 O LYS A 23 -8.292 5.691 -3.919 1.00 0.00 O ATOM 360 CB LYS A 23 -6.928 8.296 -4.453 1.00 0.00 C ATOM 361 CG LYS A 23 -5.953 9.336 -4.987 1.00 0.00 C ATOM 362 CD LYS A 23 -5.937 9.357 -6.509 1.00 0.00 C ATOM 363 CE LYS A 23 -5.611 10.744 -7.047 1.00 0.00 C ATOM 364 NZ LYS A 23 -4.147 11.024 -7.033 1.00 0.00 N ATOM 0 H LYS A 23 -6.412 5.977 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.441 7.183 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.684 8.096 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.447 8.708 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.229 10.321 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.951 9.122 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.201 8.642 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.908 9.038 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.987 10.834 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.128 11.494 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.972 11.978 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.792 10.965 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.654 10.325 -7.624 1.00 0.00 H new ATOM 378 N ILE A 24 -6.995 5.758 -2.073 1.00 0.00 N ATOM 379 CA ILE A 24 -7.880 4.907 -1.275 1.00 0.00 C ATOM 380 C ILE A 24 -8.257 5.585 0.043 1.00 0.00 C ATOM 381 O ILE A 24 -7.471 6.352 0.603 1.00 0.00 O ATOM 382 CB ILE A 24 -7.227 3.538 -0.974 1.00 0.00 C ATOM 383 CG1 ILE A 24 -6.627 2.937 -2.249 1.00 0.00 C ATOM 384 CG2 ILE A 24 -8.241 2.580 -0.360 1.00 0.00 C ATOM 385 CD1 ILE A 24 -7.657 2.580 -3.302 1.00 0.00 C ATOM 0 H ILE A 24 -6.160 6.074 -1.580 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.782 4.746 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.424 3.694 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.917 3.646 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.064 2.041 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.760 1.623 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.621 3.000 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.067 2.430 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.155 2.161 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.353 1.846 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.204 3.476 -3.594 1.00 0.00 H new ATOM 397 N LYS A 25 -9.467 5.298 0.530 1.00 0.00 N ATOM 398 CA LYS A 25 -9.956 5.880 1.780 1.00 0.00 C ATOM 399 C LYS A 25 -10.509 4.804 2.719 1.00 0.00 C ATOM 400 O LYS A 25 -11.530 4.177 2.424 1.00 0.00 O ATOM 401 CB LYS A 25 -11.038 6.929 1.489 1.00 0.00 C ATOM 402 CG LYS A 25 -12.143 6.432 0.565 1.00 0.00 C ATOM 403 CD LYS A 25 -13.216 7.486 0.341 1.00 0.00 C ATOM 404 CE LYS A 25 -14.132 7.101 -0.812 1.00 0.00 C ATOM 405 NZ LYS A 25 -14.750 8.290 -1.464 1.00 0.00 N ATOM 0 H LYS A 25 -10.126 4.665 0.076 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.113 6.360 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.482 7.250 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.570 7.806 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.712 6.144 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.597 5.537 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.804 7.610 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.747 8.447 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.564 6.538 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.918 6.441 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.365 7.978 -2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.315 8.815 -0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.002 8.908 -1.839 1.00 0.00 H new ATOM 419 N MET A 26 -9.834 4.599 3.854 1.00 0.00 N ATOM 420 CA MET A 26 -10.268 3.604 4.836 1.00 0.00 C ATOM 421 C MET A 26 -11.442 4.130 5.658 1.00 0.00 C ATOM 422 O MET A 26 -11.406 5.258 6.157 1.00 0.00 O ATOM 423 CB MET A 26 -9.113 3.219 5.771 1.00 0.00 C ATOM 424 CG MET A 26 -8.709 1.753 5.675 1.00 0.00 C ATOM 425 SD MET A 26 -10.059 0.626 6.078 1.00 0.00 S ATOM 426 CE MET A 26 -9.159 -0.891 6.404 1.00 0.00 C ATOM 0 H MET A 26 -8.989 5.107 4.114 1.00 0.00 H new ATOM 0 HA MET A 26 -10.589 2.717 4.289 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.248 3.841 5.540 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.400 3.441 6.799 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.357 1.544 4.665 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.873 1.567 6.349 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.395 -1.626 5.635 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.088 -0.688 6.395 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.446 -1.282 7.380 1.00 0.00 H new ATOM 436 N ASP A 27 -12.479 3.308 5.793 1.00 0.00 N ATOM 437 CA ASP A 27 -13.665 3.687 6.552 1.00 0.00 C ATOM 438 C ASP A 27 -13.831 2.791 7.779 1.00 0.00 C ATOM 439 O ASP A 27 -14.450 1.727 7.710 1.00 0.00 O ATOM 440 CB ASP A 27 -14.905 3.618 5.658 1.00 0.00 C ATOM 441 CG ASP A 27 -14.836 4.605 4.507 1.00 0.00 C ATOM 442 OD1 ASP A 27 -14.873 5.827 4.767 1.00 0.00 O ATOM 443 OD2 ASP A 27 -14.735 4.156 3.346 1.00 0.00 O ATOM 0 H ASP A 27 -12.521 2.374 5.386 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.543 4.713 6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.010 2.608 5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.794 3.821 6.256 1.00 0.00 H new ATOM 448 N LYS A 28 -13.261 3.234 8.901 1.00 0.00 N ATOM 449 CA LYS A 28 -13.328 2.484 10.156 1.00 0.00 C ATOM 450 C LYS A 28 -13.146 3.412 11.359 1.00 0.00 C ATOM 451 O LYS A 28 -13.943 3.389 12.298 1.00 0.00 O ATOM 452 CB LYS A 28 -12.265 1.377 10.168 1.00 0.00 C ATOM 453 CG LYS A 28 -12.393 0.400 11.331 1.00 0.00 C ATOM 454 CD LYS A 28 -13.618 -0.495 11.193 1.00 0.00 C ATOM 455 CE LYS A 28 -13.394 -1.606 10.175 1.00 0.00 C ATOM 456 NZ LYS A 28 -14.057 -2.879 10.580 1.00 0.00 N ATOM 0 H LYS A 28 -12.746 4.112 8.966 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.315 2.026 10.229 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.325 0.821 9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.278 1.837 10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.497 -0.218 11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.454 0.956 12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.860 -0.933 12.162 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.476 0.106 10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.777 -1.291 9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.324 -1.777 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.879 -3.608 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.674 -3.195 11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.081 -2.724 10.670 1.00 0.00 H new ATOM 470 N GLU A 29 -12.093 4.226 11.319 1.00 0.00 N ATOM 471 CA GLU A 29 -11.796 5.167 12.399 1.00 0.00 C ATOM 472 C GLU A 29 -10.853 6.271 11.915 1.00 0.00 C ATOM 473 O GLU A 29 -10.521 6.339 10.730 1.00 0.00 O ATOM 474 CB GLU A 29 -11.166 4.430 13.587 1.00 0.00 C ATOM 475 CG GLU A 29 -9.934 3.615 13.213 1.00 0.00 C ATOM 476 CD GLU A 29 -9.904 2.239 13.856 1.00 0.00 C ATOM 477 OE1 GLU A 29 -10.968 1.591 13.934 1.00 0.00 O ATOM 478 OE2 GLU A 29 -8.810 1.809 14.277 1.00 0.00 O ATOM 0 H GLU A 29 -11.428 4.253 10.546 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.733 5.625 12.717 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.892 5.157 14.352 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.910 3.767 14.029 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.897 3.503 12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.040 4.165 13.507 1.00 0.00 H new ATOM 485 N ASP A 30 -10.420 7.130 12.839 1.00 0.00 N ATOM 486 CA ASP A 30 -9.508 8.220 12.505 1.00 0.00 C ATOM 487 C ASP A 30 -8.056 7.738 12.510 1.00 0.00 C ATOM 488 O ASP A 30 -7.368 7.828 11.491 1.00 0.00 O ATOM 489 CB ASP A 30 -9.684 9.392 13.478 1.00 0.00 C ATOM 490 CG ASP A 30 -10.612 10.467 12.938 1.00 0.00 C ATOM 491 OD1 ASP A 30 -11.720 10.122 12.475 1.00 0.00 O ATOM 492 OD2 ASP A 30 -10.229 11.655 12.980 1.00 0.00 O ATOM 0 H ASP A 30 -10.687 7.090 13.823 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.751 8.565 11.500 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.078 9.018 14.423 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.710 9.832 13.691 1.00 0.00 H new ATOM 497 N PRO A 31 -7.561 7.213 13.655 1.00 0.00 N ATOM 498 CA PRO A 31 -6.183 6.718 13.763 1.00 0.00 C ATOM 499 C PRO A 31 -5.996 5.347 13.106 1.00 0.00 C ATOM 500 O PRO A 31 -5.593 4.381 13.758 1.00 0.00 O ATOM 501 CB PRO A 31 -5.970 6.632 15.275 1.00 0.00 C ATOM 502 CG PRO A 31 -7.323 6.347 15.826 1.00 0.00 C ATOM 503 CD PRO A 31 -8.301 7.059 14.928 1.00 0.00 C ATOM 0 HA PRO A 31 -5.470 7.364 13.251 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.263 5.844 15.532 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.567 7.564 15.673 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.519 5.275 15.842 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.408 6.702 16.853 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.215 6.480 14.792 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.594 8.025 15.340 1.00 0.00 H new ATOM 511 N VAL A 32 -6.286 5.273 11.808 1.00 0.00 N ATOM 512 CA VAL A 32 -6.148 4.028 11.055 1.00 0.00 C ATOM 513 C VAL A 32 -4.692 3.796 10.663 1.00 0.00 C ATOM 514 O VAL A 32 -4.065 4.656 10.044 1.00 0.00 O ATOM 515 CB VAL A 32 -7.019 4.037 9.780 1.00 0.00 C ATOM 516 CG1 VAL A 32 -6.948 2.693 9.072 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.462 4.392 10.113 1.00 0.00 C ATOM 0 H VAL A 32 -6.619 6.063 11.255 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.487 3.221 11.704 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.628 4.800 9.107 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.569 2.720 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.916 2.483 8.792 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.309 1.911 9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.057 4.392 9.200 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.866 3.657 10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.497 5.381 10.569 1.00 0.00 H new ATOM 527 N THR A 33 -4.155 2.630 11.026 1.00 0.00 N ATOM 528 CA THR A 33 -2.766 2.298 10.705 1.00 0.00 C ATOM 529 C THR A 33 -2.607 1.992 9.220 1.00 0.00 C ATOM 530 O THR A 33 -3.562 1.601 8.548 1.00 0.00 O ATOM 531 CB THR A 33 -2.270 1.107 11.540 1.00 0.00 C ATOM 532 OG1 THR A 33 -2.962 -0.086 11.202 1.00 0.00 O ATOM 533 CG2 THR A 33 -2.409 1.315 13.034 1.00 0.00 C ATOM 0 H THR A 33 -4.656 1.905 11.539 1.00 0.00 H new ATOM 0 HA THR A 33 -2.159 3.169 10.951 1.00 0.00 H new ATOM 0 HB THR A 33 -1.210 1.022 11.299 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.288 -0.518 12.019 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.039 0.435 13.560 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.829 2.188 13.335 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.458 1.473 13.283 1.00 0.00 H new ATOM 541 N VAL A 34 -1.390 2.174 8.715 1.00 0.00 N ATOM 542 CA VAL A 34 -1.093 1.920 7.308 1.00 0.00 C ATOM 543 C VAL A 34 -1.429 0.479 6.914 1.00 0.00 C ATOM 544 O VAL A 34 -1.860 0.223 5.786 1.00 0.00 O ATOM 545 CB VAL A 34 0.382 2.220 6.990 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.304 1.248 7.703 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.631 2.205 5.487 1.00 0.00 C ATOM 0 H VAL A 34 -0.591 2.497 9.261 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.721 2.591 6.722 1.00 0.00 H new ATOM 0 HB VAL A 34 0.605 3.222 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.340 1.484 7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.156 1.330 8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.079 0.231 7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.681 2.420 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.380 1.223 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.010 2.962 5.008 1.00 0.00 H new ATOM 557 N GLY A 35 -1.256 -0.453 7.857 1.00 0.00 N ATOM 558 CA GLY A 35 -1.576 -1.844 7.590 1.00 0.00 C ATOM 559 C GLY A 35 -3.027 -2.019 7.178 1.00 0.00 C ATOM 560 O GLY A 35 -3.359 -2.935 6.424 1.00 0.00 O ATOM 0 H GLY A 35 -0.902 -0.266 8.795 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.926 -2.222 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.376 -2.440 8.480 1.00 0.00 H new ATOM 564 N ASP A 36 -3.888 -1.117 7.662 1.00 0.00 N ATOM 565 CA ASP A 36 -5.310 -1.154 7.329 1.00 0.00 C ATOM 566 C ASP A 36 -5.529 -0.717 5.884 1.00 0.00 C ATOM 567 O ASP A 36 -6.358 -1.285 5.175 1.00 0.00 O ATOM 568 CB ASP A 36 -6.114 -0.258 8.279 1.00 0.00 C ATOM 569 CG ASP A 36 -6.859 -1.050 9.337 1.00 0.00 C ATOM 570 OD1 ASP A 36 -7.532 -2.040 8.979 1.00 0.00 O ATOM 571 OD2 ASP A 36 -6.767 -0.679 10.526 1.00 0.00 O ATOM 0 H ASP A 36 -3.622 -0.354 8.285 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.660 -2.180 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.440 0.447 8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.827 0.330 7.701 1.00 0.00 H new ATOM 576 N LEU A 37 -4.765 0.288 5.450 1.00 0.00 N ATOM 577 CA LEU A 37 -4.858 0.792 4.082 1.00 0.00 C ATOM 578 C LEU A 37 -4.659 -0.349 3.087 1.00 0.00 C ATOM 579 O LEU A 37 -5.446 -0.512 2.153 1.00 0.00 O ATOM 580 CB LEU A 37 -3.811 1.887 3.843 1.00 0.00 C ATOM 581 CG LEU A 37 -4.223 2.995 2.868 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.467 2.427 1.476 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.461 3.724 3.376 1.00 0.00 C ATOM 0 H LEU A 37 -4.075 0.768 6.028 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.850 1.220 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.564 2.344 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.900 1.419 3.469 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.405 3.713 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.758 3.231 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.554 1.958 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.264 1.684 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.738 4.507 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.285 3.017 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.247 4.170 4.347 1.00 0.00 H new ATOM 595 N ILE A 38 -3.610 -1.146 3.304 1.00 0.00 N ATOM 596 CA ILE A 38 -3.324 -2.284 2.431 1.00 0.00 C ATOM 597 C ILE A 38 -4.463 -3.300 2.495 1.00 0.00 C ATOM 598 O ILE A 38 -4.895 -3.829 1.469 1.00 0.00 O ATOM 599 CB ILE A 38 -1.992 -2.980 2.803 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.855 -1.954 2.896 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.649 -4.059 1.782 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.133 -2.239 4.008 1.00 0.00 C ATOM 0 H ILE A 38 -2.949 -1.025 4.072 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.231 -1.896 1.417 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.113 -3.451 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.322 -1.929 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.283 -0.963 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.710 -4.537 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.444 -4.805 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.548 -3.607 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.908 -1.472 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.387 -2.235 4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.590 -3.215 3.847 1.00 0.00 H new ATOM 614 N ASP A 39 -4.954 -3.558 3.710 1.00 0.00 N ATOM 615 CA ASP A 39 -6.052 -4.502 3.915 1.00 0.00 C ATOM 616 C ASP A 39 -7.331 -4.015 3.237 1.00 0.00 C ATOM 617 O ASP A 39 -8.094 -4.813 2.698 1.00 0.00 O ATOM 618 CB ASP A 39 -6.304 -4.719 5.411 1.00 0.00 C ATOM 619 CG ASP A 39 -6.476 -6.185 5.765 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.327 -6.853 5.138 1.00 0.00 O ATOM 621 OD2 ASP A 39 -5.761 -6.664 6.670 1.00 0.00 O ATOM 0 H ASP A 39 -4.607 -3.125 4.566 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.763 -5.451 3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.471 -4.307 5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.197 -4.169 5.709 1.00 0.00 H new ATOM 626 N HIS A 40 -7.559 -2.702 3.267 1.00 0.00 N ATOM 627 CA HIS A 40 -8.746 -2.111 2.651 1.00 0.00 C ATOM 628 C HIS A 40 -8.783 -2.397 1.151 1.00 0.00 C ATOM 629 O HIS A 40 -9.826 -2.757 0.606 1.00 0.00 O ATOM 630 CB HIS A 40 -8.777 -0.598 2.898 1.00 0.00 C ATOM 631 CG HIS A 40 -10.060 0.068 2.490 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.276 -0.584 2.453 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.311 1.344 2.112 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.216 0.263 2.070 1.00 0.00 C ATOM 635 NE2 HIS A 40 -11.659 1.441 1.858 1.00 0.00 N ATOM 0 H HIS A 40 -6.937 -2.027 3.712 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.625 -2.564 3.109 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.605 -0.411 3.958 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.953 -0.136 2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.586 2.139 2.026 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.264 0.030 1.951 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.148 2.284 1.556 1.00 0.00 H new ATOM 644 N ILE A 41 -7.636 -2.236 0.491 1.00 0.00 N ATOM 645 CA ILE A 41 -7.536 -2.480 -0.947 1.00 0.00 C ATOM 646 C ILE A 41 -7.653 -3.973 -1.261 1.00 0.00 C ATOM 647 O ILE A 41 -8.155 -4.353 -2.318 1.00 0.00 O ATOM 648 CB ILE A 41 -6.210 -1.942 -1.528 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.972 -0.496 -1.079 1.00 0.00 C ATOM 650 CG2 ILE A 41 -6.220 -2.028 -3.049 1.00 0.00 C ATOM 651 CD1 ILE A 41 -4.532 -0.046 -1.208 1.00 0.00 C ATOM 0 H ILE A 41 -6.764 -1.938 0.929 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.364 -1.946 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.396 -2.560 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.604 0.167 -1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.284 -0.392 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.278 -1.645 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.344 -3.067 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.045 -1.434 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.442 0.987 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.895 -0.684 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.221 -0.116 -2.250 1.00 0.00 H new ATOM 663 N VAL A 42 -7.189 -4.815 -0.339 1.00 0.00 N ATOM 664 CA VAL A 42 -7.245 -6.264 -0.522 1.00 0.00 C ATOM 665 C VAL A 42 -8.544 -6.862 0.041 1.00 0.00 C ATOM 666 O VAL A 42 -8.790 -8.061 -0.098 1.00 0.00 O ATOM 667 CB VAL A 42 -6.036 -6.957 0.144 1.00 0.00 C ATOM 668 CG1 VAL A 42 -6.027 -8.447 -0.168 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.730 -6.309 -0.299 1.00 0.00 C ATOM 0 H VAL A 42 -6.770 -4.518 0.542 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.217 -6.443 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.129 -6.835 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.167 -8.914 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.943 -8.903 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.965 -8.593 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.892 -6.813 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.631 -6.393 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.732 -5.256 -0.016 1.00 0.00 H new ATOM 679 N SER A 43 -9.373 -6.029 0.677 1.00 0.00 N ATOM 680 CA SER A 43 -10.631 -6.496 1.253 1.00 0.00 C ATOM 681 C SER A 43 -11.725 -6.585 0.186 1.00 0.00 C ATOM 682 O SER A 43 -12.033 -7.673 -0.301 1.00 0.00 O ATOM 683 CB SER A 43 -11.069 -5.574 2.401 1.00 0.00 C ATOM 684 OG SER A 43 -12.395 -5.861 2.818 1.00 0.00 O ATOM 0 H SER A 43 -9.194 -5.033 0.804 1.00 0.00 H new ATOM 0 HA SER A 43 -10.470 -7.497 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.388 -5.691 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.004 -4.534 2.080 1.00 0.00 H new ATOM 0 HG SER A 43 -12.645 -5.260 3.550 1.00 0.00 H new ATOM 690 N THR A 44 -12.312 -5.439 -0.169 1.00 0.00 N ATOM 691 CA THR A 44 -13.375 -5.401 -1.177 1.00 0.00 C ATOM 692 C THR A 44 -12.839 -4.964 -2.542 1.00 0.00 C ATOM 693 O THR A 44 -13.318 -5.425 -3.579 1.00 0.00 O ATOM 694 CB THR A 44 -14.512 -4.474 -0.726 1.00 0.00 C ATOM 695 OG1 THR A 44 -15.614 -4.561 -1.613 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.116 -3.013 -0.631 1.00 0.00 C ATOM 0 H THR A 44 -12.071 -4.529 0.224 1.00 0.00 H new ATOM 0 HA THR A 44 -13.767 -6.413 -1.282 1.00 0.00 H new ATOM 0 HB THR A 44 -14.774 -4.821 0.273 1.00 0.00 H new ATOM 0 HG1 THR A 44 -16.328 -3.964 -1.307 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.974 -2.424 -0.306 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.306 -2.902 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.784 -2.662 -1.608 1.00 0.00 H new ATOM 704 N MET A 45 -11.844 -4.078 -2.539 1.00 0.00 N ATOM 705 CA MET A 45 -11.249 -3.590 -3.781 1.00 0.00 C ATOM 706 C MET A 45 -10.674 -4.743 -4.608 1.00 0.00 C ATOM 707 O MET A 45 -10.869 -4.799 -5.824 1.00 0.00 O ATOM 708 CB MET A 45 -10.156 -2.558 -3.480 1.00 0.00 C ATOM 709 CG MET A 45 -10.383 -1.215 -4.157 1.00 0.00 C ATOM 710 SD MET A 45 -8.845 -0.409 -4.639 1.00 0.00 S ATOM 711 CE MET A 45 -8.234 -1.550 -5.876 1.00 0.00 C ATOM 0 H MET A 45 -11.434 -3.685 -1.692 1.00 0.00 H new ATOM 0 HA MET A 45 -12.035 -3.112 -4.365 1.00 0.00 H new ATOM 0 HB2 MET A 45 -10.098 -2.407 -2.402 1.00 0.00 H new ATOM 0 HB3 MET A 45 -9.193 -2.958 -3.798 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.005 -1.359 -5.040 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.935 -0.561 -3.482 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.232 -1.881 -5.602 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.898 -2.412 -5.935 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.199 -1.052 -6.845 1.00 0.00 H new ATOM 721 N ILE A 46 -9.965 -5.659 -3.943 1.00 0.00 N ATOM 722 CA ILE A 46 -9.361 -6.806 -4.614 1.00 0.00 C ATOM 723 C ILE A 46 -9.673 -8.105 -3.871 1.00 0.00 C ATOM 724 O ILE A 46 -9.035 -8.419 -2.865 1.00 0.00 O ATOM 725 CB ILE A 46 -7.829 -6.650 -4.718 1.00 0.00 C ATOM 726 CG1 ILE A 46 -7.457 -5.261 -5.239 1.00 0.00 C ATOM 727 CG2 ILE A 46 -7.243 -7.728 -5.614 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.990 -4.929 -5.070 1.00 0.00 C ATOM 0 H ILE A 46 -9.797 -5.625 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.788 -6.848 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.408 -6.763 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.717 -5.196 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.054 -4.513 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.162 -7.602 -5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.471 -8.710 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.675 -7.647 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.796 -3.930 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.729 -4.962 -4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.387 -5.655 -5.616 1.00 0.00 H new ATOM 740 N ASN A 47 -10.651 -8.859 -4.373 1.00 0.00 N ATOM 741 CA ASN A 47 -11.035 -10.125 -3.749 1.00 0.00 C ATOM 742 C ASN A 47 -10.981 -11.275 -4.756 1.00 0.00 C ATOM 743 O ASN A 47 -11.966 -11.991 -4.952 1.00 0.00 O ATOM 744 CB ASN A 47 -12.439 -10.019 -3.131 1.00 0.00 C ATOM 745 CG ASN A 47 -13.433 -9.304 -4.031 1.00 0.00 C ATOM 746 OD1 ASN A 47 -13.792 -8.155 -3.782 1.00 0.00 O ATOM 747 ND2 ASN A 47 -13.887 -9.980 -5.082 1.00 0.00 N ATOM 0 H ASN A 47 -11.189 -8.617 -5.205 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.319 -10.337 -2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.810 -11.020 -2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.372 -9.490 -2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.558 -9.546 -5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.564 -10.932 -5.254 1.00 0.00 H new ATOM 754 N ASN A 48 -9.823 -11.451 -5.394 1.00 0.00 N ATOM 755 CA ASN A 48 -9.648 -12.516 -6.377 1.00 0.00 C ATOM 756 C ASN A 48 -8.233 -13.090 -6.329 1.00 0.00 C ATOM 757 O ASN A 48 -7.258 -12.357 -6.502 1.00 0.00 O ATOM 758 CB ASN A 48 -9.947 -11.994 -7.783 1.00 0.00 C ATOM 759 CG ASN A 48 -10.664 -13.024 -8.632 1.00 0.00 C ATOM 760 OD1 ASN A 48 -10.040 -13.738 -9.417 1.00 0.00 O ATOM 761 ND2 ASN A 48 -11.980 -13.112 -8.475 1.00 0.00 N ATOM 0 H ASN A 48 -8.997 -10.871 -5.247 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.349 -13.314 -6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.558 -11.094 -7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.014 -11.709 -8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.514 -13.792 -9.017 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.457 -12.500 -7.813 1.00 0.00 H new ATOM 768 N PRO A 49 -8.105 -14.417 -6.091 1.00 0.00 N ATOM 769 CA PRO A 49 -6.801 -15.095 -6.024 1.00 0.00 C ATOM 770 C PRO A 49 -6.057 -15.039 -7.357 1.00 0.00 C ATOM 771 O PRO A 49 -6.026 -16.013 -8.111 1.00 0.00 O ATOM 772 CB PRO A 49 -7.157 -16.546 -5.671 1.00 0.00 C ATOM 773 CG PRO A 49 -8.544 -16.486 -5.135 1.00 0.00 C ATOM 774 CD PRO A 49 -9.214 -15.359 -5.867 1.00 0.00 C ATOM 0 HA PRO A 49 -6.137 -14.624 -5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.101 -17.190 -6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.466 -16.953 -4.932 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.069 -17.427 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.541 -16.307 -4.060 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.658 -15.692 -6.805 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.013 -14.911 -5.277 1.00 0.00 H new ATOM 782 N ASN A 50 -5.468 -13.883 -7.638 1.00 0.00 N ATOM 783 CA ASN A 50 -4.722 -13.666 -8.874 1.00 0.00 C ATOM 784 C ASN A 50 -3.815 -12.449 -8.732 1.00 0.00 C ATOM 785 O ASN A 50 -2.607 -12.536 -8.941 1.00 0.00 O ATOM 786 CB ASN A 50 -5.681 -13.471 -10.054 1.00 0.00 C ATOM 787 CG ASN A 50 -5.078 -13.911 -11.377 1.00 0.00 C ATOM 788 OD1 ASN A 50 -4.271 -14.839 -11.428 1.00 0.00 O ATOM 789 ND2 ASN A 50 -5.472 -13.248 -12.460 1.00 0.00 N ATOM 0 H ASN A 50 -5.493 -13.072 -7.020 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.108 -14.546 -9.067 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.596 -14.035 -9.871 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.962 -12.420 -10.119 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.103 -13.503 -13.376 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.143 -12.485 -12.375 1.00 0.00 H new ATOM 796 N ASP A 51 -4.412 -11.319 -8.355 1.00 0.00 N ATOM 797 CA ASP A 51 -3.671 -10.076 -8.157 1.00 0.00 C ATOM 798 C ASP A 51 -3.215 -9.945 -6.706 1.00 0.00 C ATOM 799 O ASP A 51 -2.110 -9.472 -6.435 1.00 0.00 O ATOM 800 CB ASP A 51 -4.515 -8.847 -8.552 1.00 0.00 C ATOM 801 CG ASP A 51 -6.011 -9.001 -8.304 1.00 0.00 C ATOM 802 OD1 ASP A 51 -6.406 -9.833 -7.460 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.791 -8.278 -8.957 1.00 0.00 O ATOM 0 H ASP A 51 -5.414 -11.240 -8.180 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.795 -10.113 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.155 -7.981 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.355 -8.637 -9.609 1.00 0.00 H new ATOM 808 N VAL A 52 -4.070 -10.366 -5.773 1.00 0.00 N ATOM 809 CA VAL A 52 -3.746 -10.292 -4.354 1.00 0.00 C ATOM 810 C VAL A 52 -2.983 -11.537 -3.897 1.00 0.00 C ATOM 811 O VAL A 52 -2.087 -11.445 -3.061 1.00 0.00 O ATOM 812 CB VAL A 52 -5.024 -10.104 -3.503 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.896 -10.769 -2.142 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.335 -8.625 -3.349 1.00 0.00 C ATOM 0 H VAL A 52 -4.988 -10.760 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.103 -9.424 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.849 -10.589 -4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.813 -10.615 -1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.726 -11.838 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.057 -10.332 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.236 -8.503 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.500 -8.127 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.492 -8.182 -4.332 1.00 0.00 H new ATOM 824 N SER A 53 -3.337 -12.697 -4.454 1.00 0.00 N ATOM 825 CA SER A 53 -2.672 -13.954 -4.102 1.00 0.00 C ATOM 826 C SER A 53 -1.157 -13.847 -4.299 1.00 0.00 C ATOM 827 O SER A 53 -0.383 -14.409 -3.525 1.00 0.00 O ATOM 828 CB SER A 53 -3.230 -15.109 -4.942 1.00 0.00 C ATOM 829 OG SER A 53 -2.472 -16.292 -4.757 1.00 0.00 O ATOM 0 H SER A 53 -4.078 -12.792 -5.148 1.00 0.00 H new ATOM 0 HA SER A 53 -2.869 -14.155 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.269 -15.293 -4.667 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.224 -14.831 -5.996 1.00 0.00 H new ATOM 0 HG SER A 53 -2.851 -17.012 -5.303 1.00 0.00 H new ATOM 835 N ILE A 54 -0.742 -13.118 -5.337 1.00 0.00 N ATOM 836 CA ILE A 54 0.680 -12.939 -5.626 1.00 0.00 C ATOM 837 C ILE A 54 1.287 -11.821 -4.769 1.00 0.00 C ATOM 838 O ILE A 54 2.453 -11.894 -4.387 1.00 0.00 O ATOM 839 CB ILE A 54 0.929 -12.626 -7.121 1.00 0.00 C ATOM 840 CG1 ILE A 54 0.178 -13.618 -8.016 1.00 0.00 C ATOM 841 CG2 ILE A 54 2.421 -12.661 -7.432 1.00 0.00 C ATOM 842 CD1 ILE A 54 0.127 -13.204 -9.471 1.00 0.00 C ATOM 0 H ILE A 54 -1.368 -12.644 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 54 1.166 -13.884 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 54 0.552 -11.624 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.656 -14.595 -7.942 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.840 -13.732 -7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.578 -12.439 -8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.937 -11.918 -6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.816 -13.652 -7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.420 -13.953 -10.044 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.377 -12.242 -9.558 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.141 -13.118 -9.861 1.00 0.00 H new ATOM 854 N PHE A 55 0.494 -10.786 -4.477 1.00 0.00 N ATOM 855 CA PHE A 55 0.970 -9.657 -3.672 1.00 0.00 C ATOM 856 C PHE A 55 0.951 -9.981 -2.173 1.00 0.00 C ATOM 857 O PHE A 55 2.000 -10.007 -1.528 1.00 0.00 O ATOM 858 CB PHE A 55 0.127 -8.409 -3.954 1.00 0.00 C ATOM 859 CG PHE A 55 0.737 -7.136 -3.434 1.00 0.00 C ATOM 860 CD1 PHE A 55 1.944 -6.673 -3.937 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.101 -6.399 -2.448 1.00 0.00 C ATOM 862 CE1 PHE A 55 2.506 -5.504 -3.461 1.00 0.00 C ATOM 863 CE2 PHE A 55 0.659 -5.229 -1.968 1.00 0.00 C ATOM 864 CZ PHE A 55 1.861 -4.779 -2.477 1.00 0.00 C ATOM 0 H PHE A 55 -0.475 -10.706 -4.784 1.00 0.00 H new ATOM 0 HA PHE A 55 2.004 -9.463 -3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.021 -8.317 -5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.858 -8.538 -3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.450 -7.233 -4.710 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.842 -6.743 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.449 -5.157 -3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.155 -4.667 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.296 -3.862 -2.107 1.00 0.00 H new ATOM 874 N ILE A 56 -0.243 -10.221 -1.626 1.00 0.00 N ATOM 875 CA ILE A 56 -0.394 -10.539 -0.203 1.00 0.00 C ATOM 876 C ILE A 56 -0.354 -12.051 0.036 1.00 0.00 C ATOM 877 O ILE A 56 -0.958 -12.821 -0.713 1.00 0.00 O ATOM 878 CB ILE A 56 -1.719 -9.980 0.369 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.892 -8.503 0.000 1.00 0.00 C ATOM 880 CG2 ILE A 56 -1.763 -10.158 1.882 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.834 -7.598 0.596 1.00 0.00 C ATOM 0 H ILE A 56 -1.120 -10.201 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 56 0.444 -10.067 0.310 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.543 -10.541 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.872 -8.404 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.874 -8.167 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.701 -9.760 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.691 -11.218 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.928 -9.624 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.022 -6.569 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.867 -7.666 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.150 -7.907 0.243 1.00 0.00 H new ATOM 893 N GLU A 57 0.353 -12.467 1.090 1.00 0.00 N ATOM 894 CA GLU A 57 0.467 -13.883 1.435 1.00 0.00 C ATOM 895 C GLU A 57 0.373 -14.085 2.947 1.00 0.00 C ATOM 896 O GLU A 57 0.809 -13.228 3.717 1.00 0.00 O ATOM 897 CB GLU A 57 1.788 -14.448 0.914 1.00 0.00 C ATOM 898 CG GLU A 57 1.614 -15.699 0.065 1.00 0.00 C ATOM 899 CD GLU A 57 2.680 -16.753 0.315 1.00 0.00 C ATOM 900 OE1 GLU A 57 3.823 -16.382 0.662 1.00 0.00 O ATOM 901 OE2 GLU A 57 2.371 -17.952 0.156 1.00 0.00 O ATOM 0 H GLU A 57 0.855 -11.841 1.719 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.360 -14.415 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.294 -13.684 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.436 -14.678 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.633 -16.131 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.631 -15.419 -0.988 1.00 0.00 H new ATOM 908 N ASP A 58 -0.201 -15.224 3.360 1.00 0.00 N ATOM 909 CA ASP A 58 -0.366 -15.558 4.781 1.00 0.00 C ATOM 910 C ASP A 58 -0.835 -14.348 5.593 1.00 0.00 C ATOM 911 O ASP A 58 -0.394 -14.137 6.724 1.00 0.00 O ATOM 912 CB ASP A 58 0.939 -16.129 5.369 1.00 0.00 C ATOM 913 CG ASP A 58 2.122 -15.185 5.242 1.00 0.00 C ATOM 914 OD1 ASP A 58 2.327 -14.359 6.156 1.00 0.00 O ATOM 915 OD2 ASP A 58 2.847 -15.278 4.232 1.00 0.00 O ATOM 0 H ASP A 58 -0.561 -15.935 2.723 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.139 -16.324 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.782 -16.363 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.176 -17.066 4.866 1.00 0.00 H new ATOM 920 N ASP A 59 -1.741 -13.558 5.007 1.00 0.00 N ATOM 921 CA ASP A 59 -2.280 -12.371 5.668 1.00 0.00 C ATOM 922 C ASP A 59 -1.168 -11.380 6.028 1.00 0.00 C ATOM 923 O ASP A 59 -1.156 -10.808 7.120 1.00 0.00 O ATOM 924 CB ASP A 59 -3.064 -12.777 6.921 1.00 0.00 C ATOM 925 CG ASP A 59 -4.509 -13.124 6.616 1.00 0.00 C ATOM 926 OD1 ASP A 59 -5.278 -12.209 6.253 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.872 -14.313 6.741 1.00 0.00 O ATOM 0 H ASP A 59 -2.116 -13.723 4.073 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.955 -11.873 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.579 -13.634 7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.034 -11.962 7.644 1.00 0.00 H new ATOM 932 N SER A 60 -0.236 -11.178 5.096 1.00 0.00 N ATOM 933 CA SER A 60 0.876 -10.257 5.304 1.00 0.00 C ATOM 934 C SER A 60 1.470 -9.810 3.968 1.00 0.00 C ATOM 935 O SER A 60 1.201 -10.415 2.927 1.00 0.00 O ATOM 936 CB SER A 60 1.953 -10.915 6.168 1.00 0.00 C ATOM 937 OG SER A 60 2.574 -9.965 7.016 1.00 0.00 O ATOM 0 H SER A 60 -0.232 -11.643 4.188 1.00 0.00 H new ATOM 0 HA SER A 60 0.497 -9.376 5.821 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.508 -11.708 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.702 -11.382 5.529 1.00 0.00 H new ATOM 0 HG SER A 60 3.258 -10.409 7.560 1.00 0.00 H new ATOM 943 N ILE A 61 2.279 -8.748 4.003 1.00 0.00 N ATOM 944 CA ILE A 61 2.910 -8.225 2.790 1.00 0.00 C ATOM 945 C ILE A 61 3.982 -9.184 2.279 1.00 0.00 C ATOM 946 O ILE A 61 4.554 -9.956 3.051 1.00 0.00 O ATOM 947 CB ILE A 61 3.543 -6.831 3.022 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.521 -5.878 3.646 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.069 -6.255 1.713 1.00 0.00 C ATOM 950 CD1 ILE A 61 2.904 -5.401 5.031 1.00 0.00 C ATOM 0 H ILE A 61 2.511 -8.236 4.854 1.00 0.00 H new ATOM 0 HA ILE A 61 2.122 -8.126 2.044 1.00 0.00 H new ATOM 0 HB ILE A 61 4.380 -6.946 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.398 -5.013 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.554 -6.379 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.510 -5.275 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.826 -6.922 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.248 -6.155 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.134 -4.730 5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.999 -6.258 5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.856 -4.871 4.983 1.00 0.00 H new ATOM 962 N ARG A 62 4.250 -9.131 0.975 1.00 0.00 N ATOM 963 CA ARG A 62 5.255 -10.000 0.364 1.00 0.00 C ATOM 964 C ARG A 62 6.667 -9.528 0.699 1.00 0.00 C ATOM 965 O ARG A 62 6.968 -8.336 0.600 1.00 0.00 O ATOM 966 CB ARG A 62 5.080 -10.047 -1.157 1.00 0.00 C ATOM 967 CG ARG A 62 4.920 -11.456 -1.707 1.00 0.00 C ATOM 968 CD ARG A 62 5.005 -11.479 -3.226 1.00 0.00 C ATOM 969 NE ARG A 62 6.375 -11.305 -3.710 1.00 0.00 N ATOM 970 CZ ARG A 62 7.285 -12.283 -3.750 1.00 0.00 C ATOM 971 NH1 ARG A 62 6.985 -13.506 -3.317 1.00 0.00 N ATOM 972 NH2 ARG A 62 8.502 -12.037 -4.224 1.00 0.00 N ATOM 0 H ARG A 62 3.787 -8.498 0.323 1.00 0.00 H new ATOM 0 HA ARG A 62 5.113 -11.001 0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.206 -9.457 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.943 -9.577 -1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.694 -12.100 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.960 -11.864 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.609 -12.425 -3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.375 -10.689 -3.635 1.00 0.00 H new ATOM 0 HE ARG A 62 6.653 -10.380 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.054 -13.703 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.686 -14.246 -3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.741 -11.103 -4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.198 -12.782 -4.255 1.00 0.00 H new ATOM 986 N PRO A 63 7.560 -10.461 1.088 1.00 0.00 N ATOM 987 CA PRO A 63 8.949 -10.130 1.421 1.00 0.00 C ATOM 988 C PRO A 63 9.748 -9.751 0.174 1.00 0.00 C ATOM 989 O PRO A 63 10.417 -10.593 -0.430 1.00 0.00 O ATOM 990 CB PRO A 63 9.485 -11.423 2.042 1.00 0.00 C ATOM 991 CG PRO A 63 8.651 -12.505 1.446 1.00 0.00 C ATOM 992 CD PRO A 63 7.287 -11.909 1.222 1.00 0.00 C ATOM 0 HA PRO A 63 9.027 -9.271 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.541 -11.565 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.395 -11.407 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.081 -12.856 0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.595 -13.365 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.815 -12.313 0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.617 -12.115 2.056 1.00 0.00 H new ATOM 1000 N GLY A 64 9.658 -8.480 -0.213 1.00 0.00 N ATOM 1001 CA GLY A 64 10.361 -8.003 -1.393 1.00 0.00 C ATOM 1002 C GLY A 64 9.768 -6.717 -1.949 1.00 0.00 C ATOM 1003 O GLY A 64 10.491 -5.884 -2.498 1.00 0.00 O ATOM 0 H GLY A 64 9.109 -7.770 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.409 -7.837 -1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.334 -8.774 -2.163 1.00 0.00 H new ATOM 1007 N ILE A 65 8.448 -6.554 -1.806 1.00 0.00 N ATOM 1008 CA ILE A 65 7.763 -5.358 -2.296 1.00 0.00 C ATOM 1009 C ILE A 65 8.301 -4.104 -1.611 1.00 0.00 C ATOM 1010 O ILE A 65 8.362 -4.032 -0.382 1.00 0.00 O ATOM 1011 CB ILE A 65 6.233 -5.436 -2.075 1.00 0.00 C ATOM 1012 CG1 ILE A 65 5.666 -6.764 -2.599 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.537 -4.258 -2.744 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.985 -7.040 -4.055 1.00 0.00 C ATOM 0 H ILE A 65 7.836 -7.235 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 65 7.957 -5.304 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 65 6.044 -5.389 -1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.058 -7.579 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.584 -6.761 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.462 -4.329 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.909 -3.326 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.741 -4.275 -3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.550 -7.995 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.569 -6.246 -4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.066 -7.077 -4.190 1.00 0.00 H new ATOM 1026 N ILE A 66 8.691 -3.122 -2.419 1.00 0.00 N ATOM 1027 CA ILE A 66 9.230 -1.866 -1.909 1.00 0.00 C ATOM 1028 C ILE A 66 8.103 -0.883 -1.570 1.00 0.00 C ATOM 1029 O ILE A 66 7.077 -0.844 -2.249 1.00 0.00 O ATOM 1030 CB ILE A 66 10.188 -1.227 -2.940 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.372 -2.159 -3.229 1.00 0.00 C ATOM 1032 CG2 ILE A 66 10.687 0.128 -2.455 1.00 0.00 C ATOM 1033 CD1 ILE A 66 12.245 -2.440 -2.022 1.00 0.00 C ATOM 0 H ILE A 66 8.643 -3.174 -3.437 1.00 0.00 H new ATOM 0 HA ILE A 66 9.785 -2.088 -0.998 1.00 0.00 H new ATOM 0 HB ILE A 66 9.632 -1.075 -3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.991 -3.104 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.986 -1.717 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.359 0.556 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.839 0.796 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.221 0.003 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.059 -3.106 -2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.658 -1.504 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.647 -2.912 -1.243 1.00 0.00 H new ATOM 1045 N THR A 67 8.306 -0.088 -0.515 1.00 0.00 N ATOM 1046 CA THR A 67 7.313 0.896 -0.082 1.00 0.00 C ATOM 1047 C THR A 67 7.991 2.079 0.610 1.00 0.00 C ATOM 1048 O THR A 67 8.835 1.890 1.488 1.00 0.00 O ATOM 1049 CB THR A 67 6.295 0.257 0.873 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.874 -1.011 0.398 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.054 1.103 1.080 1.00 0.00 C ATOM 0 H THR A 67 9.152 -0.108 0.055 1.00 0.00 H new ATOM 0 HA THR A 67 6.791 1.255 -0.969 1.00 0.00 H new ATOM 0 HB THR A 67 6.819 0.164 1.824 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.982 -0.931 -0.001 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.376 0.594 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.337 2.068 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.555 1.257 0.123 1.00 0.00 H new ATOM 1059 N LEU A 68 7.619 3.296 0.211 1.00 0.00 N ATOM 1060 CA LEU A 68 8.195 4.505 0.800 1.00 0.00 C ATOM 1061 C LEU A 68 7.108 5.437 1.328 1.00 0.00 C ATOM 1062 O LEU A 68 6.276 5.932 0.563 1.00 0.00 O ATOM 1063 CB LEU A 68 9.054 5.250 -0.227 1.00 0.00 C ATOM 1064 CG LEU A 68 10.201 4.442 -0.840 1.00 0.00 C ATOM 1065 CD1 LEU A 68 10.890 5.251 -1.928 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.201 4.025 0.231 1.00 0.00 C ATOM 0 H LEU A 68 6.924 3.470 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 68 8.822 4.194 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.407 5.597 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.472 6.136 0.250 1.00 0.00 H new ATOM 0 HG LEU A 68 9.787 3.538 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.704 4.666 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.171 5.498 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.290 6.170 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.007 3.452 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.613 4.913 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.699 3.411 0.978 1.00 0.00 H new ATOM 1078 N ILE A 69 7.128 5.679 2.638 1.00 0.00 N ATOM 1079 CA ILE A 69 6.149 6.564 3.272 1.00 0.00 C ATOM 1080 C ILE A 69 6.665 8.004 3.308 1.00 0.00 C ATOM 1081 O ILE A 69 7.559 8.333 4.087 1.00 0.00 O ATOM 1082 CB ILE A 69 5.792 6.107 4.709 1.00 0.00 C ATOM 1083 CG1 ILE A 69 7.046 5.683 5.485 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.783 4.968 4.664 1.00 0.00 C ATOM 1085 CD1 ILE A 69 6.819 5.547 6.976 1.00 0.00 C ATOM 0 H ILE A 69 7.810 5.276 3.281 1.00 0.00 H new ATOM 0 HA ILE A 69 5.243 6.515 2.667 1.00 0.00 H new ATOM 0 HB ILE A 69 5.346 6.953 5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.402 4.731 5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.835 6.414 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.541 4.656 5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.876 5.305 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.209 4.126 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.748 5.245 7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.493 6.504 7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.053 4.794 7.160 1.00 0.00 H new ATOM 1097 N ASN A 70 6.096 8.854 2.447 1.00 0.00 N ATOM 1098 CA ASN A 70 6.489 10.263 2.355 1.00 0.00 C ATOM 1099 C ASN A 70 7.967 10.395 1.983 1.00 0.00 C ATOM 1100 O ASN A 70 8.718 11.119 2.638 1.00 0.00 O ATOM 1101 CB ASN A 70 6.218 10.999 3.675 1.00 0.00 C ATOM 1102 CG ASN A 70 4.747 11.032 4.048 1.00 0.00 C ATOM 1103 OD1 ASN A 70 3.879 11.178 3.188 1.00 0.00 O ATOM 1104 ND2 ASN A 70 4.461 10.902 5.341 1.00 0.00 N ATOM 0 H ASN A 70 5.355 8.587 1.799 1.00 0.00 H new ATOM 0 HA ASN A 70 5.886 10.720 1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.779 10.516 4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.590 12.021 3.597 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.490 10.921 5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.213 10.783 6.020 1.00 0.00 H new ATOM 1111 N ASP A 71 8.378 9.688 0.928 1.00 0.00 N ATOM 1112 CA ASP A 71 9.767 9.721 0.471 1.00 0.00 C ATOM 1113 C ASP A 71 10.718 9.233 1.572 1.00 0.00 C ATOM 1114 O ASP A 71 11.858 9.691 1.671 1.00 0.00 O ATOM 1115 CB ASP A 71 10.147 11.139 0.028 1.00 0.00 C ATOM 1116 CG ASP A 71 9.982 11.343 -1.465 1.00 0.00 C ATOM 1117 OD1 ASP A 71 10.917 10.998 -2.219 1.00 0.00 O ATOM 1118 OD2 ASP A 71 8.915 11.841 -1.881 1.00 0.00 O ATOM 0 H ASP A 71 7.768 9.086 0.375 1.00 0.00 H new ATOM 0 HA ASP A 71 9.861 9.049 -0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.528 11.861 0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.182 11.339 0.307 1.00 0.00 H new ATOM 1123 N THR A 72 10.239 8.299 2.397 1.00 0.00 N ATOM 1124 CA THR A 72 11.037 7.747 3.489 1.00 0.00 C ATOM 1125 C THR A 72 10.891 6.225 3.546 1.00 0.00 C ATOM 1126 O THR A 72 10.115 5.642 2.789 1.00 0.00 O ATOM 1127 CB THR A 72 10.615 8.366 4.831 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.026 9.644 4.648 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.763 8.533 5.801 1.00 0.00 C ATOM 0 H THR A 72 9.299 7.909 2.327 1.00 0.00 H new ATOM 0 HA THR A 72 12.083 7.991 3.303 1.00 0.00 H new ATOM 0 HB THR A 72 9.897 7.660 5.249 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.079 9.538 4.419 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.395 8.975 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.204 7.559 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.518 9.185 5.362 1.00 0.00 H new ATOM 1137 N ASP A 73 11.639 5.589 4.449 1.00 0.00 N ATOM 1138 CA ASP A 73 11.592 4.134 4.603 1.00 0.00 C ATOM 1139 C ASP A 73 10.376 3.697 5.419 1.00 0.00 C ATOM 1140 O ASP A 73 9.804 4.486 6.173 1.00 0.00 O ATOM 1141 CB ASP A 73 12.870 3.625 5.276 1.00 0.00 C ATOM 1142 CG ASP A 73 13.824 2.976 4.295 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.565 1.822 3.891 1.00 0.00 O ATOM 1144 OD2 ASP A 73 14.829 3.621 3.929 1.00 0.00 O ATOM 0 H ASP A 73 12.284 6.058 5.085 1.00 0.00 H new ATOM 0 HA ASP A 73 11.511 3.702 3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.372 4.457 5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.607 2.906 6.051 1.00 0.00 H new ATOM 1149 N TRP A 74 9.989 2.431 5.263 1.00 0.00 N ATOM 1150 CA TRP A 74 8.842 1.882 5.983 1.00 0.00 C ATOM 1151 C TRP A 74 9.254 1.391 7.371 1.00 0.00 C ATOM 1152 O TRP A 74 8.693 1.823 8.378 1.00 0.00 O ATOM 1153 CB TRP A 74 8.206 0.736 5.185 1.00 0.00 C ATOM 1154 CG TRP A 74 6.719 0.862 5.021 1.00 0.00 C ATOM 1155 CD1 TRP A 74 5.994 2.016 4.932 1.00 0.00 C ATOM 1156 CD2 TRP A 74 5.775 -0.212 4.921 1.00 0.00 C ATOM 1157 NE1 TRP A 74 4.658 1.725 4.784 1.00 0.00 N ATOM 1158 CE2 TRP A 74 4.499 0.364 4.776 1.00 0.00 C ATOM 1159 CE3 TRP A 74 5.885 -1.606 4.944 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 3.345 -0.404 4.647 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 4.738 -2.367 4.817 1.00 0.00 C ATOM 1162 CH2 TRP A 74 3.483 -1.765 4.673 1.00 0.00 C ATOM 0 H TRP A 74 10.454 1.767 4.644 1.00 0.00 H new ATOM 0 HA TRP A 74 8.107 2.678 6.104 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.668 0.693 4.199 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.428 -0.208 5.683 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.409 3.012 4.972 1.00 0.00 H new ATOM 0 HE1 TRP A 74 3.908 2.410 4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 74 6.849 -2.079 5.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.376 0.058 4.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 4.812 -3.444 4.829 1.00 0.00 H new ATOM 0 HH2 TRP A 74 2.605 -2.387 4.580 1.00 0.00 H new ATOM 1173 N GLU A 75 10.236 0.486 7.417 1.00 0.00 N ATOM 1174 CA GLU A 75 10.721 -0.065 8.688 1.00 0.00 C ATOM 1175 C GLU A 75 11.496 0.978 9.497 1.00 0.00 C ATOM 1176 O GLU A 75 11.570 0.884 10.723 1.00 0.00 O ATOM 1177 CB GLU A 75 11.597 -1.305 8.451 1.00 0.00 C ATOM 1178 CG GLU A 75 12.727 -1.098 7.448 1.00 0.00 C ATOM 1179 CD GLU A 75 12.541 -1.905 6.175 1.00 0.00 C ATOM 1180 OE1 GLU A 75 12.345 -3.135 6.273 1.00 0.00 O ATOM 1181 OE2 GLU A 75 12.592 -1.305 5.080 1.00 0.00 O ATOM 0 H GLU A 75 10.710 0.119 6.592 1.00 0.00 H new ATOM 0 HA GLU A 75 9.845 -0.359 9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.026 -1.619 9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.964 -2.121 8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.793 -0.040 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.674 -1.374 7.912 1.00 0.00 H new ATOM 1188 N LEU A 76 12.069 1.971 8.810 1.00 0.00 N ATOM 1189 CA LEU A 76 12.833 3.034 9.471 1.00 0.00 C ATOM 1190 C LEU A 76 12.015 3.701 10.582 1.00 0.00 C ATOM 1191 O LEU A 76 12.570 4.137 11.592 1.00 0.00 O ATOM 1192 CB LEU A 76 13.271 4.083 8.443 1.00 0.00 C ATOM 1193 CG LEU A 76 14.249 5.144 8.957 1.00 0.00 C ATOM 1194 CD1 LEU A 76 15.281 5.477 7.889 1.00 0.00 C ATOM 1195 CD2 LEU A 76 13.499 6.400 9.386 1.00 0.00 C ATOM 0 H LEU A 76 12.018 2.061 7.795 1.00 0.00 H new ATOM 0 HA LEU A 76 13.714 2.581 9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.731 3.569 7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.382 4.587 8.063 1.00 0.00 H new ATOM 0 HG LEU A 76 14.769 4.742 9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.968 6.232 8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.839 4.577 7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.776 5.860 7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.210 7.142 9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.952 6.806 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.797 6.151 10.182 1.00 0.00 H new ATOM 1207 N GLU A 77 10.695 3.775 10.391 1.00 0.00 N ATOM 1208 CA GLU A 77 9.808 4.384 11.379 1.00 0.00 C ATOM 1209 C GLU A 77 8.794 3.363 11.901 1.00 0.00 C ATOM 1210 O GLU A 77 8.690 3.146 13.109 1.00 0.00 O ATOM 1211 CB GLU A 77 9.083 5.589 10.771 1.00 0.00 C ATOM 1212 CG GLU A 77 8.244 6.366 11.775 1.00 0.00 C ATOM 1213 CD GLU A 77 8.506 7.859 11.726 1.00 0.00 C ATOM 1214 OE1 GLU A 77 9.568 8.293 12.220 1.00 0.00 O ATOM 1215 OE2 GLU A 77 7.648 8.595 11.192 1.00 0.00 O ATOM 0 H GLU A 77 10.220 3.420 9.561 1.00 0.00 H new ATOM 0 HA GLU A 77 10.414 4.725 12.218 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.819 6.260 10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.439 5.245 9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.188 6.180 11.581 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.453 5.997 12.779 1.00 0.00 H new ATOM 1222 N GLY A 78 8.052 2.735 10.985 1.00 0.00 N ATOM 1223 CA GLY A 78 7.062 1.745 11.376 1.00 0.00 C ATOM 1224 C GLY A 78 6.282 1.199 10.195 1.00 0.00 C ATOM 1225 O GLY A 78 5.421 1.889 9.646 1.00 0.00 O ATOM 0 H GLY A 78 8.121 2.896 9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.560 0.922 11.889 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.369 2.192 12.089 1.00 0.00 H new ATOM 1229 N GLU A 79 6.583 -0.044 9.805 1.00 0.00 N ATOM 1230 CA GLU A 79 5.902 -0.689 8.679 1.00 0.00 C ATOM 1231 C GLU A 79 4.384 -0.580 8.822 1.00 0.00 C ATOM 1232 O GLU A 79 3.715 -0.039 7.945 1.00 0.00 O ATOM 1233 CB GLU A 79 6.317 -2.159 8.570 1.00 0.00 C ATOM 1234 CG GLU A 79 7.755 -2.355 8.111 1.00 0.00 C ATOM 1235 CD GLU A 79 8.424 -3.545 8.772 1.00 0.00 C ATOM 1236 OE1 GLU A 79 8.662 -3.489 9.997 1.00 0.00 O ATOM 1237 OE2 GLU A 79 8.710 -4.532 8.063 1.00 0.00 O ATOM 0 H GLU A 79 7.294 -0.623 10.253 1.00 0.00 H new ATOM 0 HA GLU A 79 6.199 -0.172 7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.186 -2.638 9.541 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.650 -2.665 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.772 -2.489 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.328 -1.454 8.330 1.00 0.00 H new ATOM 1244 N LYS A 80 3.849 -1.089 9.934 1.00 0.00 N ATOM 1245 CA LYS A 80 2.409 -1.032 10.193 1.00 0.00 C ATOM 1246 C LYS A 80 2.090 -0.074 11.348 1.00 0.00 C ATOM 1247 O LYS A 80 0.992 0.484 11.409 1.00 0.00 O ATOM 1248 CB LYS A 80 1.861 -2.428 10.507 1.00 0.00 C ATOM 1249 CG LYS A 80 0.367 -2.438 10.803 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.165 -3.852 10.984 1.00 0.00 C ATOM 1251 CE LYS A 80 -1.674 -3.928 10.763 1.00 0.00 C ATOM 1252 NZ LYS A 80 -2.415 -2.870 11.512 1.00 0.00 N ATOM 0 H LYS A 80 4.391 -1.545 10.668 1.00 0.00 H new ATOM 0 HA LYS A 80 1.926 -0.656 9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.061 -3.087 9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.397 -2.836 11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.172 -1.858 11.705 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.168 -1.950 9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.338 -4.521 10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.072 -4.203 11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.887 -3.832 9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.035 -4.909 11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.415 -3.142 11.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.002 -2.762 12.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.345 -1.968 10.999 1.00 0.00 H new ATOM 1266 N ASP A 81 3.050 0.113 12.260 1.00 0.00 N ATOM 1267 CA ASP A 81 2.867 1.001 13.408 1.00 0.00 C ATOM 1268 C ASP A 81 3.048 2.467 13.001 1.00 0.00 C ATOM 1269 O ASP A 81 3.887 3.184 13.552 1.00 0.00 O ATOM 1270 CB ASP A 81 3.844 0.629 14.530 1.00 0.00 C ATOM 1271 CG ASP A 81 3.323 -0.503 15.395 1.00 0.00 C ATOM 1272 OD1 ASP A 81 3.289 -1.653 14.909 1.00 0.00 O ATOM 1273 OD2 ASP A 81 2.945 -0.238 16.556 1.00 0.00 O ATOM 0 H ASP A 81 3.963 -0.341 12.223 1.00 0.00 H new ATOM 0 HA ASP A 81 1.849 0.877 13.777 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.801 0.340 14.095 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.029 1.504 15.153 1.00 0.00 H new ATOM 1278 N TYR A 82 2.245 2.898 12.031 1.00 0.00 N ATOM 1279 CA TYR A 82 2.285 4.267 11.529 1.00 0.00 C ATOM 1280 C TYR A 82 0.867 4.772 11.272 1.00 0.00 C ATOM 1281 O TYR A 82 0.191 4.305 10.351 1.00 0.00 O ATOM 1282 CB TYR A 82 3.116 4.336 10.240 1.00 0.00 C ATOM 1283 CG TYR A 82 3.037 5.671 9.526 1.00 0.00 C ATOM 1284 CD1 TYR A 82 3.815 6.748 9.932 1.00 0.00 C ATOM 1285 CD2 TYR A 82 2.183 5.850 8.443 1.00 0.00 C ATOM 1286 CE1 TYR A 82 3.742 7.966 9.282 1.00 0.00 C ATOM 1287 CE2 TYR A 82 2.105 7.063 7.789 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.888 8.118 8.210 1.00 0.00 C ATOM 1289 OH TYR A 82 2.815 9.328 7.561 1.00 0.00 O ATOM 0 H TYR A 82 1.550 2.309 11.572 1.00 0.00 H new ATOM 0 HA TYR A 82 2.754 4.903 12.279 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.158 4.125 10.480 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.780 3.552 9.561 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.488 6.632 10.769 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.570 5.026 8.108 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.351 8.795 9.612 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.434 7.186 6.952 1.00 0.00 H new ATOM 0 HH TYR A 82 1.949 9.404 7.108 1.00 0.00 H new ATOM 1299 N ILE A 83 0.421 5.723 12.092 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.918 6.289 11.954 1.00 0.00 C ATOM 1301 C ILE A 83 -1.064 7.005 10.612 1.00 0.00 C ATOM 1302 O ILE A 83 -0.213 7.814 10.239 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.241 7.282 13.097 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.929 6.660 14.465 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.701 7.711 13.031 1.00 0.00 C ATOM 1306 CD1 ILE A 83 0.019 7.488 15.307 1.00 0.00 C ATOM 0 H ILE A 83 0.968 6.117 12.858 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.622 5.459 12.006 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.612 8.163 12.971 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.861 6.522 15.013 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.498 5.670 14.315 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.912 8.409 13.841 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.895 8.196 12.074 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.342 6.835 13.130 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.193 6.986 16.259 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.966 7.605 14.780 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.419 8.470 15.489 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.143 6.700 9.888 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.392 7.316 8.587 1.00 0.00 C ATOM 1320 C LEU A 84 -2.627 8.820 8.733 1.00 0.00 C ATOM 1321 O LEU A 84 -2.681 9.343 9.849 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.595 6.657 7.900 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.301 5.332 7.181 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.549 4.815 6.477 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.158 5.496 6.187 1.00 0.00 C ATOM 0 H LEU A 84 -2.856 6.032 10.181 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.508 7.164 7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.367 6.481 8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.008 7.360 7.176 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.999 4.600 7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.320 3.876 5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.339 4.651 7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.883 5.548 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.968 4.544 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.427 6.246 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.259 5.815 6.715 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.764 9.509 7.602 1.00 0.00 N ATOM 1338 CA GLU A 85 -2.989 10.946 7.596 1.00 0.00 C ATOM 1339 C GLU A 85 -3.460 11.401 6.220 1.00 0.00 C ATOM 1340 O GLU A 85 -2.661 11.521 5.288 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.708 11.694 7.981 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.800 12.408 9.320 1.00 0.00 C ATOM 1343 CD GLU A 85 -2.261 13.846 9.183 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -3.465 14.062 8.933 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -1.417 14.757 9.325 1.00 0.00 O ATOM 0 H GLU A 85 -2.722 9.088 6.674 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.762 11.174 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.879 10.987 8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.476 12.423 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.491 11.869 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.825 12.388 9.806 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.762 11.638 6.100 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.357 12.075 4.836 1.00 0.00 C ATOM 1354 C ASP A 86 -4.567 13.238 4.237 1.00 0.00 C ATOM 1355 O ASP A 86 -4.507 14.327 4.812 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.828 12.468 5.029 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.018 13.620 5.999 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -6.749 13.434 7.204 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -7.446 14.706 5.552 1.00 0.00 O ATOM 0 H ASP A 86 -5.430 11.535 6.864 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.316 11.237 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.254 12.741 4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.384 11.603 5.390 1.00 0.00 H new ATOM 1364 N GLY A 87 -3.953 12.987 3.083 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.156 14.003 2.417 1.00 0.00 C ATOM 1366 C GLY A 87 -1.662 13.712 2.488 1.00 0.00 C ATOM 1367 O GLY A 87 -0.844 14.632 2.425 1.00 0.00 O ATOM 0 H GLY A 87 -3.994 12.092 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.460 14.072 1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.356 14.973 2.872 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.307 12.430 2.620 1.00 0.00 N ATOM 1372 CA ASP A 88 0.094 12.019 2.701 1.00 0.00 C ATOM 1373 C ASP A 88 0.540 11.328 1.412 1.00 0.00 C ATOM 1374 O ASP A 88 -0.290 10.916 0.599 1.00 0.00 O ATOM 1375 CB ASP A 88 0.300 11.081 3.896 1.00 0.00 C ATOM 1376 CG ASP A 88 0.695 11.820 5.163 1.00 0.00 C ATOM 1377 OD1 ASP A 88 0.110 12.889 5.438 1.00 0.00 O ATOM 1378 OD2 ASP A 88 1.587 11.328 5.882 1.00 0.00 O ATOM 0 H ASP A 88 -1.973 11.660 2.673 1.00 0.00 H new ATOM 0 HA ASP A 88 0.702 12.913 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.619 10.524 4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.072 10.352 3.651 1.00 0.00 H new ATOM 1383 N ILE A 89 1.857 11.206 1.234 1.00 0.00 N ATOM 1384 CA ILE A 89 2.423 10.567 0.046 1.00 0.00 C ATOM 1385 C ILE A 89 2.938 9.163 0.364 1.00 0.00 C ATOM 1386 O ILE A 89 3.633 8.960 1.360 1.00 0.00 O ATOM 1387 CB ILE A 89 3.581 11.403 -0.545 1.00 0.00 C ATOM 1388 CG1 ILE A 89 3.166 12.870 -0.704 1.00 0.00 C ATOM 1389 CG2 ILE A 89 4.025 10.828 -1.883 1.00 0.00 C ATOM 1390 CD1 ILE A 89 2.013 13.081 -1.666 1.00 0.00 C ATOM 0 H ILE A 89 2.553 11.543 1.900 1.00 0.00 H new ATOM 0 HA ILE A 89 1.619 10.499 -0.687 1.00 0.00 H new ATOM 0 HB ILE A 89 4.421 11.359 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.889 13.267 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.025 13.445 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.841 11.429 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.365 9.802 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.187 10.841 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.778 14.144 -1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.292 12.716 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.139 12.535 -1.311 1.00 0.00 H new ATOM 1402 N ILE A 90 2.593 8.198 -0.491 1.00 0.00 N ATOM 1403 CA ILE A 90 3.020 6.810 -0.304 1.00 0.00 C ATOM 1404 C ILE A 90 3.386 6.160 -1.641 1.00 0.00 C ATOM 1405 O ILE A 90 2.800 6.479 -2.676 1.00 0.00 O ATOM 1406 CB ILE A 90 1.917 5.968 0.381 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.390 6.684 1.630 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.443 4.584 0.744 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.171 6.025 2.242 1.00 0.00 C ATOM 0 H ILE A 90 2.019 8.352 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 90 3.900 6.834 0.338 1.00 0.00 H new ATOM 0 HB ILE A 90 1.093 5.849 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.183 6.724 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.144 7.714 1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.652 4.009 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.768 4.070 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.286 4.683 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.144 6.588 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.639 6.009 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.417 5.004 2.534 1.00 0.00 H new ATOM 1421 N SER A 91 4.356 5.246 -1.610 1.00 0.00 N ATOM 1422 CA SER A 91 4.796 4.549 -2.818 1.00 0.00 C ATOM 1423 C SER A 91 4.887 3.042 -2.587 1.00 0.00 C ATOM 1424 O SER A 91 5.168 2.589 -1.476 1.00 0.00 O ATOM 1425 CB SER A 91 6.152 5.088 -3.282 1.00 0.00 C ATOM 1426 OG SER A 91 6.737 4.245 -4.262 1.00 0.00 O ATOM 0 H SER A 91 4.852 4.971 -0.762 1.00 0.00 H new ATOM 0 HA SER A 91 4.054 4.731 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.026 6.091 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.823 5.174 -2.427 1.00 0.00 H new ATOM 0 HG SER A 91 7.600 4.616 -4.540 1.00 0.00 H new ATOM 1432 N PHE A 92 4.653 2.277 -3.651 1.00 0.00 N ATOM 1433 CA PHE A 92 4.711 0.819 -3.593 1.00 0.00 C ATOM 1434 C PHE A 92 5.403 0.266 -4.836 1.00 0.00 C ATOM 1435 O PHE A 92 4.749 -0.086 -5.821 1.00 0.00 O ATOM 1436 CB PHE A 92 3.303 0.230 -3.474 1.00 0.00 C ATOM 1437 CG PHE A 92 2.839 0.034 -2.060 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.285 -1.044 -1.312 1.00 0.00 C ATOM 1439 CD2 PHE A 92 1.947 0.923 -1.481 1.00 0.00 C ATOM 1440 CE1 PHE A 92 2.851 -1.230 -0.014 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.511 0.743 -0.183 1.00 0.00 C ATOM 1442 CZ PHE A 92 1.963 -0.336 0.552 1.00 0.00 C ATOM 0 H PHE A 92 4.419 2.648 -4.572 1.00 0.00 H new ATOM 0 HA PHE A 92 5.285 0.534 -2.712 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.601 0.887 -3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.277 -0.730 -3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.980 -1.746 -1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.589 1.767 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.206 -2.074 0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.818 1.445 0.257 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.623 -0.480 1.567 1.00 0.00 H new ATOM 1452 N THR A 93 6.730 0.191 -4.781 1.00 0.00 N ATOM 1453 CA THR A 93 7.517 -0.321 -5.897 1.00 0.00 C ATOM 1454 C THR A 93 7.779 -1.816 -5.725 1.00 0.00 C ATOM 1455 O THR A 93 7.414 -2.407 -4.708 1.00 0.00 O ATOM 1456 CB THR A 93 8.851 0.434 -6.009 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.182 1.080 -4.788 1.00 0.00 O ATOM 1458 CG2 THR A 93 8.862 1.481 -7.103 1.00 0.00 C ATOM 0 H THR A 93 7.283 0.479 -3.974 1.00 0.00 H new ATOM 0 HA THR A 93 6.948 -0.166 -6.814 1.00 0.00 H new ATOM 0 HB THR A 93 9.586 -0.333 -6.255 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.036 1.551 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.834 1.974 -7.125 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.675 1.004 -8.065 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.085 2.220 -6.908 1.00 0.00 H new ATOM 1466 N SER A 94 8.415 -2.423 -6.724 1.00 0.00 N ATOM 1467 CA SER A 94 8.731 -3.848 -6.679 1.00 0.00 C ATOM 1468 C SER A 94 9.926 -4.162 -7.575 1.00 0.00 C ATOM 1469 O SER A 94 9.763 -4.597 -8.716 1.00 0.00 O ATOM 1470 CB SER A 94 7.519 -4.679 -7.107 1.00 0.00 C ATOM 1471 OG SER A 94 7.817 -6.066 -7.081 1.00 0.00 O ATOM 0 H SER A 94 8.722 -1.950 -7.574 1.00 0.00 H new ATOM 0 HA SER A 94 8.989 -4.108 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.679 -4.472 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.211 -4.389 -8.111 1.00 0.00 H new ATOM 0 HG SER A 94 7.027 -6.576 -7.357 1.00 0.00 H new ATOM 1477 N THR A 95 11.129 -3.935 -7.052 1.00 0.00 N ATOM 1478 CA THR A 95 12.350 -4.191 -7.805 1.00 0.00 C ATOM 1479 C THR A 95 13.386 -4.896 -6.929 1.00 0.00 C ATOM 1480 O THR A 95 14.289 -4.266 -6.376 1.00 0.00 O ATOM 1481 CB THR A 95 12.909 -2.878 -8.375 1.00 0.00 C ATOM 1482 OG1 THR A 95 14.173 -3.085 -8.983 1.00 0.00 O ATOM 1483 CG2 THR A 95 13.070 -1.783 -7.340 1.00 0.00 C ATOM 0 H THR A 95 11.282 -3.575 -6.110 1.00 0.00 H new ATOM 0 HA THR A 95 12.114 -4.852 -8.639 1.00 0.00 H new ATOM 0 HB THR A 95 12.168 -2.553 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.508 -2.236 -9.340 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.469 -0.888 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.101 -1.556 -6.896 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.756 -2.116 -6.562 1.00 0.00 H new ATOM 1491 N LEU A 96 13.241 -6.215 -6.810 1.00 0.00 N ATOM 1492 CA LEU A 96 14.159 -7.024 -6.007 1.00 0.00 C ATOM 1493 C LEU A 96 15.573 -6.980 -6.587 1.00 0.00 C ATOM 1494 O LEU A 96 16.557 -7.088 -5.853 1.00 0.00 O ATOM 1495 CB LEU A 96 13.674 -8.478 -5.915 1.00 0.00 C ATOM 1496 CG LEU A 96 13.162 -9.094 -7.224 1.00 0.00 C ATOM 1497 CD1 LEU A 96 13.801 -10.456 -7.459 1.00 0.00 C ATOM 1498 CD2 LEU A 96 11.645 -9.214 -7.196 1.00 0.00 C ATOM 0 H LEU A 96 12.496 -6.747 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 96 14.180 -6.601 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.494 -9.092 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.876 -8.529 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 96 13.442 -8.437 -8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.426 -10.878 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.884 -10.344 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.551 -11.122 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.297 -9.653 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.346 -9.851 -6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.204 -8.225 -7.073 1.00 0.00 H new ATOM 1510 N HIS A 97 15.666 -6.814 -7.907 1.00 0.00 N ATOM 1511 CA HIS A 97 16.956 -6.744 -8.587 1.00 0.00 C ATOM 1512 C HIS A 97 17.508 -5.318 -8.548 1.00 0.00 C ATOM 1513 O HIS A 97 16.806 -4.383 -8.159 1.00 0.00 O ATOM 1514 CB HIS A 97 16.815 -7.205 -10.042 1.00 0.00 C ATOM 1515 CG HIS A 97 16.898 -8.692 -10.225 1.00 0.00 C ATOM 1516 ND1 HIS A 97 16.698 -9.597 -9.201 1.00 0.00 N ATOM 1517 CD2 HIS A 97 17.155 -9.432 -11.330 1.00 0.00 C ATOM 1518 CE1 HIS A 97 16.830 -10.826 -9.670 1.00 0.00 C ATOM 1519 NE2 HIS A 97 17.107 -10.752 -10.958 1.00 0.00 N ATOM 0 H HIS A 97 14.860 -6.726 -8.526 1.00 0.00 H new ATOM 0 HA HIS A 97 17.651 -7.404 -8.069 1.00 0.00 H new ATOM 0 HB2 HIS A 97 15.859 -6.855 -10.432 1.00 0.00 H new ATOM 0 HB3 HIS A 97 17.595 -6.732 -10.639 1.00 0.00 H new ATOM 0 HD2 HIS A 97 17.360 -9.053 -12.320 1.00 0.00 H new ATOM 0 HE1 HIS A 97 16.728 -11.736 -9.097 1.00 0.00 H new ATOM 0 HE2 HIS A 97 17.261 -11.548 -11.577 1.00 0.00 H new ATOM 1528 N GLY A 98 18.766 -5.157 -8.960 1.00 0.00 N ATOM 1529 CA GLY A 98 19.383 -3.840 -8.967 1.00 0.00 C ATOM 1530 C GLY A 98 19.720 -3.337 -7.575 1.00 0.00 C ATOM 1531 O GLY A 98 19.524 -4.046 -6.586 1.00 0.00 O ATOM 0 H GLY A 98 19.367 -5.913 -9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 98 20.293 -3.874 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.710 -3.132 -9.450 1.00 0.00 H new ATOM 1535 N GLY A 99 20.230 -2.106 -7.501 1.00 0.00 N ATOM 1536 CA GLY A 99 20.592 -1.519 -6.221 1.00 0.00 C ATOM 1537 C GLY A 99 19.477 -0.676 -5.631 1.00 0.00 C ATOM 1538 O GLY A 99 18.516 -1.258 -5.087 1.00 0.00 O ATOM 0 H GLY A 99 20.398 -1.505 -8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 99 20.851 -2.313 -5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 99 21.482 -0.902 -6.347 1.00 0.00 H new TER 1542 GLY A 99