USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 758 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 75 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -168:sc=-0.00996 (180deg=-0.137) USER MOD Single : A 14 MET CE :methyl -168:sc= -0.615 (180deg=-1.01) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 76:sc= 1.31 USER MOD Single : A 20 THR OG1 : rot -35:sc= 0.279 USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 0.58 (180deg=0.278) USER MOD Single : A 30 ASN : amide:sc= -3.05! C(o=-3!,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.224) USER MOD Single : A 33 THR OG1 : rot 154:sc= 0.128 USER MOD Single : A 35 GLN : amide:sc= -3.08! C(o=-3.1!,f=-7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -128:sc= 0.118 USER MOD Single : A 42 ASN : amide:sc= -0.462 K(o=-0.46,f=-2.6) USER MOD Single : A 43 ASN : amide:sc= -1 X(o=-1,f=-1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.5) USER MOD Single : A 47 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.32) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 72:sc= 0.262 USER MOD Single : A 63 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.9) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.32 K(o=-3.3,f=-5.9!) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -0.0097 (180deg=-0.157) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.8!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 167:sc=-0.00464 (180deg=-0.162) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.133 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.087 -18.679 8.732 1.00 0.00 N ATOM 2 CA GLY A 1 -16.621 -17.545 8.000 1.00 0.00 C ATOM 3 C GLY A 1 -15.584 -16.890 7.109 1.00 0.00 C ATOM 4 O GLY A 1 -15.512 -17.177 5.914 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.834 -19.092 9.326 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.743 -19.395 8.061 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.300 -18.364 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.463 -17.873 7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.006 -16.809 8.706 1.00 0.00 H new ATOM 8 N SER A 2 -14.779 -16.007 7.690 1.00 0.00 N ATOM 9 CA SER A 2 -13.744 -15.305 6.940 1.00 0.00 C ATOM 10 C SER A 2 -12.715 -16.286 6.386 1.00 0.00 C ATOM 11 O SER A 2 -12.648 -17.439 6.813 1.00 0.00 O ATOM 12 CB SER A 2 -13.052 -14.270 7.829 1.00 0.00 C ATOM 13 OG SER A 2 -13.970 -13.290 8.279 1.00 0.00 O ATOM 0 H SER A 2 -14.823 -15.760 8.679 1.00 0.00 H new ATOM 0 HA SER A 2 -14.220 -14.794 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.597 -14.768 8.686 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.246 -13.790 7.274 1.00 0.00 H new ATOM 0 HG SER A 2 -13.504 -12.641 8.847 1.00 0.00 H new ATOM 19 N SER A 3 -11.915 -15.820 5.433 1.00 0.00 N ATOM 20 CA SER A 3 -10.891 -16.656 4.817 1.00 0.00 C ATOM 21 C SER A 3 -9.503 -16.057 5.024 1.00 0.00 C ATOM 22 O SER A 3 -9.053 -15.220 4.243 1.00 0.00 O ATOM 23 CB SER A 3 -11.169 -16.822 3.322 1.00 0.00 C ATOM 24 OG SER A 3 -12.445 -17.397 3.101 1.00 0.00 O ATOM 0 H SER A 3 -11.956 -14.868 5.070 1.00 0.00 H new ATOM 0 HA SER A 3 -10.920 -17.635 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.114 -15.852 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.400 -17.452 2.874 1.00 0.00 H new ATOM 0 HG SER A 3 -12.599 -17.491 2.138 1.00 0.00 H new ATOM 30 N GLY A 4 -8.830 -16.493 6.085 1.00 0.00 N ATOM 31 CA GLY A 4 -7.500 -15.990 6.377 1.00 0.00 C ATOM 32 C GLY A 4 -6.573 -16.073 5.181 1.00 0.00 C ATOM 33 O GLY A 4 -6.781 -16.887 4.281 1.00 0.00 O ATOM 0 H GLY A 4 -9.182 -17.185 6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.571 -14.953 6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.073 -16.558 7.204 1.00 0.00 H new ATOM 37 N SER A 5 -5.547 -15.228 5.170 1.00 0.00 N ATOM 38 CA SER A 5 -4.587 -15.206 4.072 1.00 0.00 C ATOM 39 C SER A 5 -3.381 -16.087 4.387 1.00 0.00 C ATOM 40 O SER A 5 -2.688 -15.876 5.382 1.00 0.00 O ATOM 41 CB SER A 5 -4.128 -13.773 3.797 1.00 0.00 C ATOM 42 OG SER A 5 -5.068 -13.082 2.992 1.00 0.00 O ATOM 0 H SER A 5 -5.359 -14.550 5.908 1.00 0.00 H new ATOM 0 HA SER A 5 -5.080 -15.599 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.993 -13.244 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.159 -13.788 3.299 1.00 0.00 H new ATOM 0 HG SER A 5 -4.752 -12.168 2.832 1.00 0.00 H new ATOM 48 N SER A 6 -3.138 -17.074 3.531 1.00 0.00 N ATOM 49 CA SER A 6 -2.019 -17.990 3.719 1.00 0.00 C ATOM 50 C SER A 6 -0.688 -17.257 3.577 1.00 0.00 C ATOM 51 O SER A 6 -0.645 -16.097 3.172 1.00 0.00 O ATOM 52 CB SER A 6 -2.094 -19.135 2.707 1.00 0.00 C ATOM 53 OG SER A 6 -3.050 -20.103 3.102 1.00 0.00 O ATOM 0 H SER A 6 -3.701 -17.260 2.701 1.00 0.00 H new ATOM 0 HA SER A 6 -2.083 -18.401 4.727 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.356 -18.740 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.115 -19.604 2.611 1.00 0.00 H new ATOM 0 HG SER A 6 -3.080 -20.823 2.438 1.00 0.00 H new ATOM 59 N GLY A 7 0.398 -17.946 3.915 1.00 0.00 N ATOM 60 CA GLY A 7 1.716 -17.346 3.819 1.00 0.00 C ATOM 61 C GLY A 7 2.176 -17.182 2.384 1.00 0.00 C ATOM 62 O GLY A 7 2.192 -18.144 1.615 1.00 0.00 O ATOM 0 H GLY A 7 0.389 -18.908 4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.704 -16.371 4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.433 -17.964 4.359 1.00 0.00 H new ATOM 66 N LYS A 8 2.550 -15.960 2.021 1.00 0.00 N ATOM 67 CA LYS A 8 3.012 -15.672 0.668 1.00 0.00 C ATOM 68 C LYS A 8 4.225 -14.747 0.693 1.00 0.00 C ATOM 69 O LYS A 8 4.116 -13.575 1.052 1.00 0.00 O ATOM 70 CB LYS A 8 1.888 -15.034 -0.152 1.00 0.00 C ATOM 71 CG LYS A 8 0.632 -15.885 -0.227 1.00 0.00 C ATOM 72 CD LYS A 8 -0.481 -15.172 -0.977 1.00 0.00 C ATOM 73 CE LYS A 8 -1.730 -16.034 -1.071 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.510 -17.239 -1.917 1.00 0.00 N ATOM 0 H LYS A 8 2.542 -15.153 2.645 1.00 0.00 H new ATOM 0 HA LYS A 8 3.304 -16.613 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.636 -14.067 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.249 -14.845 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.860 -16.828 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.295 -16.128 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.720 -14.236 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.139 -14.914 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.034 -16.343 -0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.548 -15.444 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.424 -17.690 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.053 -16.959 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.899 -17.912 -1.411 1.00 0.00 H new ATOM 88 N ALA A 9 5.379 -15.282 0.308 1.00 0.00 N ATOM 89 CA ALA A 9 6.611 -14.503 0.283 1.00 0.00 C ATOM 90 C ALA A 9 6.369 -13.112 -0.292 1.00 0.00 C ATOM 91 O ALA A 9 6.751 -12.106 0.308 1.00 0.00 O ATOM 92 CB ALA A 9 7.679 -15.230 -0.521 1.00 0.00 C ATOM 0 H ALA A 9 5.486 -16.251 0.009 1.00 0.00 H new ATOM 0 HA ALA A 9 6.960 -14.388 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.593 -14.637 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.880 -16.200 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.329 -15.375 -1.543 1.00 0.00 H new ATOM 98 N PHE A 10 5.734 -13.060 -1.458 1.00 0.00 N ATOM 99 CA PHE A 10 5.443 -11.791 -2.115 1.00 0.00 C ATOM 100 C PHE A 10 4.923 -10.766 -1.111 1.00 0.00 C ATOM 101 O PHE A 10 5.309 -9.597 -1.144 1.00 0.00 O ATOM 102 CB PHE A 10 4.417 -11.994 -3.232 1.00 0.00 C ATOM 103 CG PHE A 10 4.564 -11.019 -4.364 1.00 0.00 C ATOM 104 CD1 PHE A 10 5.596 -11.149 -5.279 1.00 0.00 C ATOM 105 CD2 PHE A 10 3.668 -9.972 -4.515 1.00 0.00 C ATOM 106 CE1 PHE A 10 5.734 -10.252 -6.322 1.00 0.00 C ATOM 107 CE2 PHE A 10 3.800 -9.072 -5.556 1.00 0.00 C ATOM 108 CZ PHE A 10 4.834 -9.213 -6.461 1.00 0.00 C ATOM 0 H PHE A 10 5.411 -13.882 -1.968 1.00 0.00 H new ATOM 0 HA PHE A 10 6.370 -11.413 -2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.511 -13.008 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.414 -11.905 -2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.301 -11.961 -5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.857 -9.858 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.544 -10.363 -7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.096 -8.260 -5.662 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.939 -8.512 -7.276 1.00 0.00 H new ATOM 118 N LEU A 11 4.045 -11.212 -0.220 1.00 0.00 N ATOM 119 CA LEU A 11 3.470 -10.335 0.794 1.00 0.00 C ATOM 120 C LEU A 11 4.377 -10.249 2.017 1.00 0.00 C ATOM 121 O LEU A 11 4.862 -9.174 2.367 1.00 0.00 O ATOM 122 CB LEU A 11 2.085 -10.837 1.205 1.00 0.00 C ATOM 123 CG LEU A 11 1.036 -10.898 0.095 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.173 -11.704 0.546 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.618 -9.496 -0.322 1.00 0.00 C ATOM 0 H LEU A 11 3.715 -12.176 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 11 3.375 -9.338 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.194 -11.835 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.708 -10.192 1.999 1.00 0.00 H new ATOM 0 HG LEU A 11 1.478 -11.396 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.909 -11.736 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.138 -12.719 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.616 -11.235 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.129 -9.559 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.195 -8.972 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.488 -8.951 -0.688 1.00 0.00 H new ATOM 137 N GLU A 12 4.603 -11.390 2.661 1.00 0.00 N ATOM 138 CA GLU A 12 5.453 -11.443 3.844 1.00 0.00 C ATOM 139 C GLU A 12 6.598 -10.440 3.737 1.00 0.00 C ATOM 140 O GLU A 12 6.747 -9.559 4.584 1.00 0.00 O ATOM 141 CB GLU A 12 6.013 -12.855 4.035 1.00 0.00 C ATOM 142 CG GLU A 12 4.941 -13.911 4.243 1.00 0.00 C ATOM 143 CD GLU A 12 4.583 -14.098 5.704 1.00 0.00 C ATOM 144 OE1 GLU A 12 4.646 -13.107 6.461 1.00 0.00 O ATOM 145 OE2 GLU A 12 4.239 -15.235 6.091 1.00 0.00 O ATOM 0 H GLU A 12 4.209 -12.289 2.383 1.00 0.00 H new ATOM 0 HA GLU A 12 4.844 -11.182 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.609 -13.121 3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.685 -12.857 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.047 -13.630 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.287 -14.860 3.833 1.00 0.00 H new ATOM 152 N ASP A 13 7.404 -10.581 2.691 1.00 0.00 N ATOM 153 CA ASP A 13 8.536 -9.688 2.471 1.00 0.00 C ATOM 154 C ASP A 13 8.061 -8.257 2.237 1.00 0.00 C ATOM 155 O ASP A 13 8.648 -7.307 2.753 1.00 0.00 O ATOM 156 CB ASP A 13 9.365 -10.165 1.278 1.00 0.00 C ATOM 157 CG ASP A 13 10.714 -9.478 1.199 1.00 0.00 C ATOM 158 OD1 ASP A 13 10.839 -8.353 1.727 1.00 0.00 O ATOM 159 OD2 ASP A 13 11.646 -10.064 0.608 1.00 0.00 O ATOM 0 H ASP A 13 7.295 -11.306 1.981 1.00 0.00 H new ATOM 0 HA ASP A 13 9.159 -9.704 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.513 -11.243 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.812 -9.980 0.357 1.00 0.00 H new ATOM 164 N MET A 14 6.997 -8.113 1.455 1.00 0.00 N ATOM 165 CA MET A 14 6.444 -6.798 1.154 1.00 0.00 C ATOM 166 C MET A 14 6.147 -6.025 2.435 1.00 0.00 C ATOM 167 O MET A 14 6.645 -4.917 2.634 1.00 0.00 O ATOM 168 CB MET A 14 5.168 -6.936 0.321 1.00 0.00 C ATOM 169 CG MET A 14 4.388 -5.639 0.184 1.00 0.00 C ATOM 170 SD MET A 14 3.172 -5.418 1.497 1.00 0.00 S ATOM 171 CE MET A 14 1.714 -6.121 0.730 1.00 0.00 C ATOM 0 H MET A 14 6.501 -8.890 1.018 1.00 0.00 H new ATOM 0 HA MET A 14 7.186 -6.243 0.580 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.430 -7.299 -0.673 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.526 -7.690 0.777 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.083 -4.799 0.192 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.882 -5.624 -0.781 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.834 -5.871 1.323 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.601 -5.716 -0.276 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.818 -7.205 0.675 1.00 0.00 H new ATOM 181 N LYS A 15 5.332 -6.617 3.302 1.00 0.00 N ATOM 182 CA LYS A 15 4.969 -5.986 4.565 1.00 0.00 C ATOM 183 C LYS A 15 6.131 -5.167 5.118 1.00 0.00 C ATOM 184 O LYS A 15 5.983 -3.981 5.413 1.00 0.00 O ATOM 185 CB LYS A 15 4.548 -7.046 5.586 1.00 0.00 C ATOM 186 CG LYS A 15 3.115 -7.519 5.415 1.00 0.00 C ATOM 187 CD LYS A 15 2.947 -8.962 5.860 1.00 0.00 C ATOM 188 CE LYS A 15 2.631 -9.054 7.345 1.00 0.00 C ATOM 189 NZ LYS A 15 2.763 -10.447 7.855 1.00 0.00 N ATOM 0 H LYS A 15 4.910 -7.534 3.152 1.00 0.00 H new ATOM 0 HA LYS A 15 4.130 -5.315 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.217 -7.903 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.671 -6.640 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.448 -6.879 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.822 -7.423 4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.146 -9.430 5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.859 -9.519 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.302 -8.399 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.617 -8.697 7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.539 -10.468 8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.105 -11.068 7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.737 -10.780 7.708 1.00 0.00 H new ATOM 203 N LYS A 16 7.288 -5.806 5.254 1.00 0.00 N ATOM 204 CA LYS A 16 8.477 -5.136 5.769 1.00 0.00 C ATOM 205 C LYS A 16 8.749 -3.847 5.001 1.00 0.00 C ATOM 206 O LYS A 16 8.631 -2.750 5.549 1.00 0.00 O ATOM 207 CB LYS A 16 9.690 -6.064 5.676 1.00 0.00 C ATOM 208 CG LYS A 16 9.787 -7.056 6.822 1.00 0.00 C ATOM 209 CD LYS A 16 8.886 -8.258 6.596 1.00 0.00 C ATOM 210 CE LYS A 16 9.185 -9.373 7.587 1.00 0.00 C ATOM 211 NZ LYS A 16 8.002 -10.248 7.812 1.00 0.00 N ATOM 0 H LYS A 16 7.428 -6.788 5.015 1.00 0.00 H new ATOM 0 HA LYS A 16 8.299 -4.885 6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.646 -6.612 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.597 -5.461 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.819 -7.389 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.512 -6.564 7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.843 -7.955 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.019 -8.628 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.016 -9.974 7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.502 -8.940 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.247 -10.995 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.217 -9.680 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.715 -10.682 6.911 1.00 0.00 H new ATOM 225 N TYR A 17 9.113 -3.985 3.731 1.00 0.00 N ATOM 226 CA TYR A 17 9.404 -2.831 2.889 1.00 0.00 C ATOM 227 C TYR A 17 8.258 -1.824 2.932 1.00 0.00 C ATOM 228 O TYR A 17 8.436 -0.683 3.358 1.00 0.00 O ATOM 229 CB TYR A 17 9.654 -3.275 1.447 1.00 0.00 C ATOM 230 CG TYR A 17 9.767 -2.127 0.470 1.00 0.00 C ATOM 231 CD1 TYR A 17 8.633 -1.512 -0.045 1.00 0.00 C ATOM 232 CD2 TYR A 17 11.010 -1.656 0.064 1.00 0.00 C ATOM 233 CE1 TYR A 17 8.732 -0.463 -0.938 1.00 0.00 C ATOM 234 CE2 TYR A 17 11.119 -0.606 -0.828 1.00 0.00 C ATOM 235 CZ TYR A 17 9.977 -0.013 -1.326 1.00 0.00 C ATOM 236 OH TYR A 17 10.081 1.033 -2.214 1.00 0.00 O ATOM 0 H TYR A 17 9.214 -4.885 3.262 1.00 0.00 H new ATOM 0 HA TYR A 17 10.303 -2.349 3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.571 -3.863 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.842 -3.931 1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.657 -1.860 0.258 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.906 -2.118 0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.840 0.002 -1.330 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.092 -0.252 -1.133 1.00 0.00 H new ATOM 0 HH TYR A 17 9.881 1.874 -1.753 1.00 0.00 H new ATOM 246 N ALA A 18 7.083 -2.255 2.486 1.00 0.00 N ATOM 247 CA ALA A 18 5.907 -1.394 2.475 1.00 0.00 C ATOM 248 C ALA A 18 5.778 -0.625 3.785 1.00 0.00 C ATOM 249 O ALA A 18 5.438 0.558 3.790 1.00 0.00 O ATOM 250 CB ALA A 18 4.653 -2.215 2.217 1.00 0.00 C ATOM 0 H ALA A 18 6.920 -3.196 2.127 1.00 0.00 H new ATOM 0 HA ALA A 18 6.025 -0.670 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.783 -1.558 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.737 -2.714 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.539 -2.962 3.003 1.00 0.00 H new ATOM 256 N GLU A 19 6.050 -1.305 4.895 1.00 0.00 N ATOM 257 CA GLU A 19 5.962 -0.684 6.211 1.00 0.00 C ATOM 258 C GLU A 19 7.013 0.411 6.368 1.00 0.00 C ATOM 259 O GLU A 19 6.690 1.599 6.392 1.00 0.00 O ATOM 260 CB GLU A 19 6.139 -1.737 7.308 1.00 0.00 C ATOM 261 CG GLU A 19 4.851 -2.453 7.677 1.00 0.00 C ATOM 262 CD GLU A 19 5.098 -3.751 8.422 1.00 0.00 C ATOM 263 OE1 GLU A 19 6.158 -4.371 8.199 1.00 0.00 O ATOM 264 OE2 GLU A 19 4.230 -4.145 9.230 1.00 0.00 O ATOM 0 H GLU A 19 6.333 -2.285 4.909 1.00 0.00 H new ATOM 0 HA GLU A 19 4.975 -0.232 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.872 -2.473 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.546 -1.257 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.238 -1.796 8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.283 -2.661 6.770 1.00 0.00 H new ATOM 271 N THR A 20 8.274 0.003 6.475 1.00 0.00 N ATOM 272 CA THR A 20 9.372 0.947 6.632 1.00 0.00 C ATOM 273 C THR A 20 9.421 1.931 5.468 1.00 0.00 C ATOM 274 O THR A 20 10.146 2.925 5.513 1.00 0.00 O ATOM 275 CB THR A 20 10.727 0.221 6.733 1.00 0.00 C ATOM 276 OG1 THR A 20 11.749 1.143 7.129 1.00 0.00 O ATOM 277 CG2 THR A 20 11.100 -0.416 5.403 1.00 0.00 C ATOM 0 H THR A 20 8.559 -0.976 6.456 1.00 0.00 H new ATOM 0 HA THR A 20 9.191 1.492 7.558 1.00 0.00 H new ATOM 0 HB THR A 20 10.638 -0.565 7.482 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.567 2.022 6.735 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.060 -0.923 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.335 -1.139 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.172 0.356 4.637 1.00 0.00 H new ATOM 285 N PHE A 21 8.645 1.648 4.427 1.00 0.00 N ATOM 286 CA PHE A 21 8.600 2.509 3.251 1.00 0.00 C ATOM 287 C PHE A 21 7.488 3.546 3.378 1.00 0.00 C ATOM 288 O PHE A 21 7.622 4.677 2.908 1.00 0.00 O ATOM 289 CB PHE A 21 8.390 1.671 1.988 1.00 0.00 C ATOM 290 CG PHE A 21 8.320 2.490 0.730 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.453 3.110 0.228 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.122 2.640 0.051 1.00 0.00 C ATOM 293 CE1 PHE A 21 9.391 3.864 -0.929 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.054 3.393 -1.106 1.00 0.00 C ATOM 295 CZ PHE A 21 8.191 4.005 -1.597 1.00 0.00 C ATOM 0 H PHE A 21 8.039 0.829 4.374 1.00 0.00 H new ATOM 0 HA PHE A 21 9.553 3.032 3.178 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.204 0.952 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.469 1.098 2.091 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.395 3.003 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.230 2.163 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.281 4.343 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.113 3.503 -1.625 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.141 4.593 -2.502 1.00 0.00 H new ATOM 305 N LEU A 22 6.391 3.153 4.015 1.00 0.00 N ATOM 306 CA LEU A 22 5.254 4.047 4.204 1.00 0.00 C ATOM 307 C LEU A 22 5.193 4.554 5.642 1.00 0.00 C ATOM 308 O LEU A 22 4.265 5.268 6.019 1.00 0.00 O ATOM 309 CB LEU A 22 3.951 3.329 3.849 1.00 0.00 C ATOM 310 CG LEU A 22 3.924 2.618 2.496 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.815 1.577 2.462 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.748 3.623 1.368 1.00 0.00 C ATOM 0 H LEU A 22 6.264 2.221 4.410 1.00 0.00 H new ATOM 0 HA LEU A 22 5.382 4.903 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.740 2.595 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.141 4.058 3.870 1.00 0.00 H new ATOM 0 HG LEU A 22 4.878 2.109 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.811 1.081 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.985 0.839 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.854 2.064 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.731 3.098 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.810 4.161 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.577 4.331 1.379 1.00 0.00 H new ATOM 324 N GLU A 23 6.191 4.182 6.438 1.00 0.00 N ATOM 325 CA GLU A 23 6.250 4.601 7.833 1.00 0.00 C ATOM 326 C GLU A 23 6.143 6.119 7.951 1.00 0.00 C ATOM 327 O GLU A 23 5.256 6.654 8.616 1.00 0.00 O ATOM 328 CB GLU A 23 7.552 4.119 8.478 1.00 0.00 C ATOM 329 CG GLU A 23 7.421 2.781 9.186 1.00 0.00 C ATOM 330 CD GLU A 23 8.484 2.576 10.248 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.651 2.942 9.998 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.147 2.051 11.330 1.00 0.00 O ATOM 0 H GLU A 23 6.968 3.592 6.141 1.00 0.00 H new ATOM 0 HA GLU A 23 5.405 4.153 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.321 4.040 7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.892 4.868 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.435 2.713 9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.487 1.978 8.452 1.00 0.00 H new ATOM 339 N PRO A 24 7.069 6.830 7.290 1.00 0.00 N ATOM 340 CA PRO A 24 7.100 8.295 7.304 1.00 0.00 C ATOM 341 C PRO A 24 5.937 8.908 6.532 1.00 0.00 C ATOM 342 O PRO A 24 5.743 10.123 6.544 1.00 0.00 O ATOM 343 CB PRO A 24 8.429 8.628 6.622 1.00 0.00 C ATOM 344 CG PRO A 24 8.714 7.451 5.753 1.00 0.00 C ATOM 345 CD PRO A 24 8.155 6.258 6.477 1.00 0.00 C ATOM 0 HA PRO A 24 7.011 8.694 8.314 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.355 9.544 6.036 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.222 8.781 7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.249 7.567 4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.785 7.339 5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.783 5.505 5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.910 5.775 7.097 1.00 0.00 H new ATOM 353 N TRP A 25 5.165 8.059 5.863 1.00 0.00 N ATOM 354 CA TRP A 25 4.020 8.518 5.085 1.00 0.00 C ATOM 355 C TRP A 25 2.711 8.167 5.785 1.00 0.00 C ATOM 356 O TRP A 25 1.677 8.786 5.534 1.00 0.00 O ATOM 357 CB TRP A 25 4.046 7.900 3.686 1.00 0.00 C ATOM 358 CG TRP A 25 4.784 8.733 2.683 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.320 9.846 2.041 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.117 8.519 2.205 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.283 10.336 1.193 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.395 9.540 1.276 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.102 7.565 2.473 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.617 9.631 0.614 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.314 7.657 1.815 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.564 8.684 0.896 1.00 0.00 C ATOM 0 H TRP A 25 5.311 7.050 5.844 1.00 0.00 H new ATOM 0 HA TRP A 25 4.084 9.602 4.996 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.509 6.915 3.740 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.022 7.753 3.342 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.340 10.277 2.180 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.186 11.159 0.598 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.920 6.770 3.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.810 10.421 -0.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.082 6.924 2.013 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.522 8.729 0.400 1.00 0.00 H new ATOM 377 N PHE A 26 2.763 7.172 6.664 1.00 0.00 N ATOM 378 CA PHE A 26 1.581 6.739 7.399 1.00 0.00 C ATOM 379 C PHE A 26 1.861 6.689 8.898 1.00 0.00 C ATOM 380 O PHE A 26 1.033 7.102 9.711 1.00 0.00 O ATOM 381 CB PHE A 26 1.124 5.363 6.908 1.00 0.00 C ATOM 382 CG PHE A 26 0.553 5.382 5.519 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.303 6.397 5.121 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.872 4.385 4.611 1.00 0.00 C ATOM 385 CE1 PHE A 26 -0.830 6.417 3.843 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.348 4.401 3.332 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.505 5.417 2.948 1.00 0.00 C ATOM 0 H PHE A 26 3.611 6.650 6.885 1.00 0.00 H new ATOM 0 HA PHE A 26 0.787 7.463 7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.970 4.677 6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.374 4.971 7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.561 7.181 5.817 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.537 3.587 4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.495 7.214 3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.606 3.619 2.633 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.917 5.429 1.950 1.00 0.00 H new ATOM 397 N LYS A 27 3.034 6.179 9.258 1.00 0.00 N ATOM 398 CA LYS A 27 3.426 6.074 10.659 1.00 0.00 C ATOM 399 C LYS A 27 3.836 7.435 11.212 1.00 0.00 C ATOM 400 O LYS A 27 4.583 8.176 10.574 1.00 0.00 O ATOM 401 CB LYS A 27 4.580 5.080 10.814 1.00 0.00 C ATOM 402 CG LYS A 27 4.759 4.574 12.234 1.00 0.00 C ATOM 403 CD LYS A 27 5.970 3.664 12.353 1.00 0.00 C ATOM 404 CE LYS A 27 6.568 3.711 13.750 1.00 0.00 C ATOM 405 NZ LYS A 27 7.247 2.434 14.107 1.00 0.00 N ATOM 0 H LYS A 27 3.730 5.832 8.599 1.00 0.00 H new ATOM 0 HA LYS A 27 2.567 5.715 11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.408 4.230 10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.505 5.556 10.487 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.871 5.421 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.865 4.034 12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.682 2.640 12.114 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.723 3.962 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.283 4.532 13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.781 3.919 14.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.974 2.617 14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.548 1.762 14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.694 2.030 13.259 1.00 0.00 H new ATOM 419 N ALA A 28 3.343 7.757 12.404 1.00 0.00 N ATOM 420 CA ALA A 28 3.661 9.027 13.044 1.00 0.00 C ATOM 421 C ALA A 28 5.134 9.379 12.865 1.00 0.00 C ATOM 422 O ALA A 28 5.981 8.513 12.641 1.00 0.00 O ATOM 423 CB ALA A 28 3.304 8.977 14.522 1.00 0.00 C ATOM 0 H ALA A 28 2.722 7.156 12.945 1.00 0.00 H new ATOM 0 HA ALA A 28 3.068 9.806 12.564 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.547 9.932 14.987 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.238 8.780 14.632 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.871 8.183 15.007 1.00 0.00 H new ATOM 429 N PRO A 29 5.450 10.679 12.965 1.00 0.00 N ATOM 430 CA PRO A 29 4.450 11.717 13.231 1.00 0.00 C ATOM 431 C PRO A 29 3.512 11.935 12.049 1.00 0.00 C ATOM 432 O PRO A 29 2.585 12.741 12.121 1.00 0.00 O ATOM 433 CB PRO A 29 5.296 12.968 13.480 1.00 0.00 C ATOM 434 CG PRO A 29 6.569 12.717 12.747 1.00 0.00 C ATOM 435 CD PRO A 29 6.806 11.234 12.826 1.00 0.00 C ATOM 0 HA PRO A 29 3.799 11.452 14.065 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.796 13.864 13.111 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.475 13.119 14.544 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.494 13.046 11.710 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.394 13.269 13.197 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.304 10.859 11.932 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.436 10.972 13.676 1.00 0.00 H new ATOM 443 N ASN A 30 3.759 11.211 10.963 1.00 0.00 N ATOM 444 CA ASN A 30 2.935 11.326 9.764 1.00 0.00 C ATOM 445 C ASN A 30 1.637 10.540 9.919 1.00 0.00 C ATOM 446 O ASN A 30 1.590 9.528 10.620 1.00 0.00 O ATOM 447 CB ASN A 30 3.705 10.825 8.541 1.00 0.00 C ATOM 448 CG ASN A 30 4.515 11.923 7.878 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.211 12.347 6.763 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.552 12.389 8.564 1.00 0.00 N ATOM 0 H ASN A 30 4.522 10.539 10.888 1.00 0.00 H new ATOM 0 HA ASN A 30 2.687 12.378 9.623 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.371 10.016 8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.003 10.408 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.134 13.128 8.170 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.767 12.008 9.485 1.00 0.00 H new ATOM 457 N LYS A 31 0.584 11.010 9.259 1.00 0.00 N ATOM 458 CA LYS A 31 -0.715 10.352 9.321 1.00 0.00 C ATOM 459 C LYS A 31 -1.713 11.027 8.385 1.00 0.00 C ATOM 460 O LYS A 31 -1.509 12.164 7.962 1.00 0.00 O ATOM 461 CB LYS A 31 -1.252 10.368 10.754 1.00 0.00 C ATOM 462 CG LYS A 31 -1.157 11.729 11.423 1.00 0.00 C ATOM 463 CD LYS A 31 -2.245 11.914 12.467 1.00 0.00 C ATOM 464 CE LYS A 31 -3.539 12.410 11.841 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.528 12.830 12.873 1.00 0.00 N ATOM 0 H LYS A 31 0.605 11.845 8.674 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.585 9.318 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.294 10.048 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.699 9.641 11.349 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.179 11.837 11.892 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.238 12.512 10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.426 10.968 12.977 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.909 12.625 13.222 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.324 13.250 11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.970 11.621 11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.235 13.459 12.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.003 11.990 13.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.038 13.334 13.639 1.00 0.00 H new ATOM 479 N GLY A 32 -2.793 10.320 8.068 1.00 0.00 N ATOM 480 CA GLY A 32 -3.806 10.869 7.186 1.00 0.00 C ATOM 481 C GLY A 32 -4.529 9.797 6.395 1.00 0.00 C ATOM 482 O GLY A 32 -4.562 8.633 6.797 1.00 0.00 O ATOM 0 H GLY A 32 -2.985 9.377 8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.530 11.432 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.340 11.573 6.496 1.00 0.00 H new ATOM 486 N THR A 33 -5.114 10.188 5.267 1.00 0.00 N ATOM 487 CA THR A 33 -5.842 9.253 4.419 1.00 0.00 C ATOM 488 C THR A 33 -5.020 8.865 3.195 1.00 0.00 C ATOM 489 O THR A 33 -3.967 9.446 2.933 1.00 0.00 O ATOM 490 CB THR A 33 -7.186 9.845 3.955 1.00 0.00 C ATOM 491 OG1 THR A 33 -7.003 11.201 3.531 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.216 9.793 5.074 1.00 0.00 C ATOM 0 H THR A 33 -5.098 11.147 4.920 1.00 0.00 H new ATOM 0 HA THR A 33 -6.033 8.364 5.020 1.00 0.00 H new ATOM 0 HB THR A 33 -7.551 9.249 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.699 11.438 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.157 10.217 4.723 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.374 8.757 5.375 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.856 10.368 5.927 1.00 0.00 H new ATOM 500 N PHE A 34 -5.509 7.881 2.448 1.00 0.00 N ATOM 501 CA PHE A 34 -4.818 7.415 1.251 1.00 0.00 C ATOM 502 C PHE A 34 -5.726 6.519 0.414 1.00 0.00 C ATOM 503 O PHE A 34 -6.848 6.208 0.814 1.00 0.00 O ATOM 504 CB PHE A 34 -3.546 6.657 1.633 1.00 0.00 C ATOM 505 CG PHE A 34 -3.789 5.511 2.572 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.318 5.732 3.834 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.490 4.212 2.194 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.544 4.680 4.701 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.714 3.156 3.057 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.241 3.390 4.312 1.00 0.00 C ATOM 0 H PHE A 34 -6.380 7.391 2.650 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.547 8.287 0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.072 6.279 0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.844 7.351 2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.556 6.739 4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.077 4.023 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.957 4.866 5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.477 2.148 2.750 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.416 2.566 4.988 1.00 0.00 H new ATOM 520 N GLN A 35 -5.233 6.109 -0.750 1.00 0.00 N ATOM 521 CA GLN A 35 -6.000 5.250 -1.645 1.00 0.00 C ATOM 522 C GLN A 35 -5.091 4.249 -2.350 1.00 0.00 C ATOM 523 O GLN A 35 -4.280 4.623 -3.199 1.00 0.00 O ATOM 524 CB GLN A 35 -6.749 6.093 -2.678 1.00 0.00 C ATOM 525 CG GLN A 35 -5.894 7.178 -3.313 1.00 0.00 C ATOM 526 CD GLN A 35 -6.595 7.875 -4.462 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.800 9.089 -4.435 1.00 0.00 O ATOM 528 NE2 GLN A 35 -6.966 7.109 -5.481 1.00 0.00 N ATOM 0 H GLN A 35 -4.306 6.358 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.723 4.697 -1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.131 5.438 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.613 6.556 -2.200 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.626 7.914 -2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.964 6.738 -3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.776 6.107 -5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.441 7.522 -6.283 1.00 0.00 H new ATOM 537 N ILE A 36 -5.230 2.977 -1.993 1.00 0.00 N ATOM 538 CA ILE A 36 -4.422 1.923 -2.593 1.00 0.00 C ATOM 539 C ILE A 36 -5.027 1.448 -3.910 1.00 0.00 C ATOM 540 O ILE A 36 -6.246 1.354 -4.047 1.00 0.00 O ATOM 541 CB ILE A 36 -4.274 0.718 -1.645 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.551 1.135 -0.363 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.527 -0.413 -2.337 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.779 0.189 0.795 1.00 0.00 C ATOM 0 H ILE A 36 -5.895 2.651 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.437 2.350 -2.782 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.269 0.361 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.482 1.200 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.883 2.133 -0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.431 -1.257 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.079 -0.725 -3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.535 -0.068 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.236 0.547 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.844 0.142 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.421 -0.805 0.528 1.00 0.00 H new ATOM 556 N VAL A 37 -4.165 1.148 -4.877 1.00 0.00 N ATOM 557 CA VAL A 37 -4.614 0.680 -6.183 1.00 0.00 C ATOM 558 C VAL A 37 -3.678 -0.390 -6.734 1.00 0.00 C ATOM 559 O VAL A 37 -2.468 -0.183 -6.828 1.00 0.00 O ATOM 560 CB VAL A 37 -4.703 1.838 -7.194 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.186 1.332 -8.545 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.618 2.934 -6.668 1.00 0.00 C ATOM 0 H VAL A 37 -3.152 1.221 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.607 0.253 -6.042 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.707 2.260 -7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.243 2.165 -9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.489 0.585 -8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.173 0.884 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.670 3.745 -7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.616 2.528 -6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.224 3.316 -5.726 1.00 0.00 H new ATOM 572 N TYR A 38 -4.246 -1.534 -7.098 1.00 0.00 N ATOM 573 CA TYR A 38 -3.463 -2.639 -7.639 1.00 0.00 C ATOM 574 C TYR A 38 -3.346 -2.532 -9.156 1.00 0.00 C ATOM 575 O TYR A 38 -4.300 -2.806 -9.885 1.00 0.00 O ATOM 576 CB TYR A 38 -4.098 -3.977 -7.257 1.00 0.00 C ATOM 577 CG TYR A 38 -3.311 -5.178 -7.732 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.090 -5.504 -7.157 1.00 0.00 C ATOM 579 CD2 TYR A 38 -3.791 -5.987 -8.755 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.367 -6.600 -7.588 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.076 -7.085 -9.191 1.00 0.00 C ATOM 582 CZ TYR A 38 -1.865 -7.388 -8.605 1.00 0.00 C ATOM 583 OH TYR A 38 -1.149 -8.481 -9.036 1.00 0.00 O ATOM 0 H TYR A 38 -5.246 -1.721 -7.028 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.462 -2.585 -7.211 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.199 -4.025 -6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.104 -4.024 -7.674 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.699 -4.890 -6.359 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.739 -5.753 -9.217 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.418 -6.838 -7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.463 -7.703 -9.987 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.639 -8.929 -9.757 1.00 0.00 H new ATOM 593 N LYS A 39 -2.169 -2.133 -9.626 1.00 0.00 N ATOM 594 CA LYS A 39 -1.924 -1.991 -11.056 1.00 0.00 C ATOM 595 C LYS A 39 -1.010 -3.102 -11.564 1.00 0.00 C ATOM 596 O LYS A 39 0.181 -3.129 -11.252 1.00 0.00 O ATOM 597 CB LYS A 39 -1.301 -0.626 -11.355 1.00 0.00 C ATOM 598 CG LYS A 39 -2.212 0.544 -11.024 1.00 0.00 C ATOM 599 CD LYS A 39 -1.801 1.799 -11.775 1.00 0.00 C ATOM 600 CE LYS A 39 -2.990 2.717 -12.018 1.00 0.00 C ATOM 601 NZ LYS A 39 -3.177 3.689 -10.906 1.00 0.00 N ATOM 0 H LYS A 39 -1.369 -1.902 -9.037 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.881 -2.067 -11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.375 -0.526 -10.788 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.035 -0.581 -12.411 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.241 0.288 -11.277 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.185 0.735 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.039 2.332 -11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.352 1.523 -12.729 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.846 3.258 -12.953 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.894 2.118 -12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.997 4.296 -11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.340 3.173 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.325 4.278 -10.813 1.00 0.00 H new ATOM 615 N SER A 40 -1.573 -4.014 -12.349 1.00 0.00 N ATOM 616 CA SER A 40 -0.809 -5.128 -12.898 1.00 0.00 C ATOM 617 C SER A 40 -1.245 -5.433 -14.328 1.00 0.00 C ATOM 618 O SER A 40 -2.311 -5.003 -14.769 1.00 0.00 O ATOM 619 CB SER A 40 -0.980 -6.371 -12.024 1.00 0.00 C ATOM 620 OG SER A 40 -2.074 -7.157 -12.464 1.00 0.00 O ATOM 0 H SER A 40 -2.556 -4.004 -12.620 1.00 0.00 H new ATOM 0 HA SER A 40 0.243 -4.844 -12.910 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.067 -6.966 -12.050 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.136 -6.072 -10.988 1.00 0.00 H new ATOM 0 HG SER A 40 -2.673 -7.336 -11.709 1.00 0.00 H new ATOM 626 N ARG A 41 -0.412 -6.179 -15.047 1.00 0.00 N ATOM 627 CA ARG A 41 -0.710 -6.542 -16.428 1.00 0.00 C ATOM 628 C ARG A 41 -1.712 -7.690 -16.484 1.00 0.00 C ATOM 629 O ARG A 41 -2.660 -7.663 -17.268 1.00 0.00 O ATOM 630 CB ARG A 41 0.574 -6.934 -17.162 1.00 0.00 C ATOM 631 CG ARG A 41 1.263 -5.767 -17.849 1.00 0.00 C ATOM 632 CD ARG A 41 2.272 -5.097 -16.930 1.00 0.00 C ATOM 633 NE ARG A 41 3.495 -5.884 -16.792 1.00 0.00 N ATOM 634 CZ ARG A 41 4.672 -5.362 -16.466 1.00 0.00 C ATOM 635 NH1 ARG A 41 4.785 -4.060 -16.246 1.00 0.00 N ATOM 636 NH2 ARG A 41 5.739 -6.144 -16.360 1.00 0.00 N ATOM 0 H ARG A 41 0.474 -6.544 -14.697 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.151 -5.674 -16.919 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.266 -7.386 -16.451 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.339 -7.695 -17.906 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.767 -6.119 -18.749 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.517 -5.038 -18.166 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.519 -4.110 -17.321 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.824 -4.948 -15.947 1.00 0.00 H new ATOM 0 HE ARG A 41 3.442 -6.890 -16.955 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.967 -3.456 -16.327 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.690 -3.662 -15.996 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.655 -7.146 -16.529 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.643 -5.743 -16.110 1.00 0.00 H new ATOM 650 N ASN A 42 -1.496 -8.700 -15.646 1.00 0.00 N ATOM 651 CA ASN A 42 -2.379 -9.859 -15.601 1.00 0.00 C ATOM 652 C ASN A 42 -2.805 -10.163 -14.168 1.00 0.00 C ATOM 653 O ASN A 42 -1.990 -10.566 -13.340 1.00 0.00 O ATOM 654 CB ASN A 42 -1.685 -11.079 -16.209 1.00 0.00 C ATOM 655 CG ASN A 42 -1.206 -10.826 -17.626 1.00 0.00 C ATOM 656 OD1 ASN A 42 -0.326 -9.997 -17.856 1.00 0.00 O ATOM 657 ND2 ASN A 42 -1.786 -11.542 -18.583 1.00 0.00 N ATOM 0 H ASN A 42 -0.717 -8.738 -14.989 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.270 -9.628 -16.185 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.836 -11.358 -15.586 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.374 -11.924 -16.207 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.506 -11.416 -19.556 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.512 -12.218 -18.345 1.00 0.00 H new ATOM 664 N ASN A 43 -4.089 -9.967 -13.884 1.00 0.00 N ATOM 665 CA ASN A 43 -4.623 -10.221 -12.551 1.00 0.00 C ATOM 666 C ASN A 43 -4.385 -11.669 -12.136 1.00 0.00 C ATOM 667 O ASN A 43 -3.954 -11.942 -11.015 1.00 0.00 O ATOM 668 CB ASN A 43 -6.120 -9.907 -12.511 1.00 0.00 C ATOM 669 CG ASN A 43 -6.951 -10.956 -13.225 1.00 0.00 C ATOM 670 OD1 ASN A 43 -7.074 -10.938 -14.450 1.00 0.00 O ATOM 671 ND2 ASN A 43 -7.525 -11.877 -12.460 1.00 0.00 N ATOM 0 H ASN A 43 -4.778 -9.634 -14.558 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.102 -9.570 -11.848 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.445 -9.834 -11.473 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.297 -8.934 -12.969 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.095 -12.609 -12.884 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.395 -11.853 -11.449 1.00 0.00 H new ATOM 678 N SER A 44 -4.668 -12.595 -13.047 1.00 0.00 N ATOM 679 CA SER A 44 -4.488 -14.016 -12.775 1.00 0.00 C ATOM 680 C SER A 44 -3.218 -14.257 -11.964 1.00 0.00 C ATOM 681 O SER A 44 -3.207 -15.058 -11.029 1.00 0.00 O ATOM 682 CB SER A 44 -4.428 -14.804 -14.085 1.00 0.00 C ATOM 683 OG SER A 44 -4.653 -16.185 -13.860 1.00 0.00 O ATOM 0 H SER A 44 -5.023 -12.386 -13.980 1.00 0.00 H new ATOM 0 HA SER A 44 -5.342 -14.360 -12.191 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.175 -14.419 -14.779 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.454 -14.663 -14.554 1.00 0.00 H new ATOM 0 HG SER A 44 -4.611 -16.666 -14.713 1.00 0.00 H new ATOM 689 N HIS A 45 -2.148 -13.558 -12.330 1.00 0.00 N ATOM 690 CA HIS A 45 -0.872 -13.694 -11.637 1.00 0.00 C ATOM 691 C HIS A 45 -1.086 -13.930 -10.145 1.00 0.00 C ATOM 692 O HIS A 45 -0.503 -14.844 -9.561 1.00 0.00 O ATOM 693 CB HIS A 45 -0.016 -12.446 -11.850 1.00 0.00 C ATOM 694 CG HIS A 45 1.077 -12.289 -10.838 1.00 0.00 C ATOM 695 ND1 HIS A 45 1.405 -11.079 -10.265 1.00 0.00 N ATOM 696 CD2 HIS A 45 1.919 -13.200 -10.296 1.00 0.00 C ATOM 697 CE1 HIS A 45 2.401 -11.251 -9.416 1.00 0.00 C ATOM 698 NE2 HIS A 45 2.732 -12.530 -9.416 1.00 0.00 N ATOM 0 H HIS A 45 -2.139 -12.892 -13.102 1.00 0.00 H new ATOM 0 HA HIS A 45 -0.352 -14.557 -12.052 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.425 -12.484 -12.846 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.658 -11.566 -11.819 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.946 -14.257 -10.515 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.866 -10.478 -8.822 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.471 -12.951 -8.854 1.00 0.00 H new ATOM 706 N VAL A 46 -1.926 -13.100 -9.534 1.00 0.00 N ATOM 707 CA VAL A 46 -2.217 -13.219 -8.111 1.00 0.00 C ATOM 708 C VAL A 46 -3.410 -12.354 -7.720 1.00 0.00 C ATOM 709 O VAL A 46 -3.617 -11.277 -8.277 1.00 0.00 O ATOM 710 CB VAL A 46 -1.003 -12.816 -7.254 1.00 0.00 C ATOM 711 CG1 VAL A 46 -0.628 -11.363 -7.508 1.00 0.00 C ATOM 712 CG2 VAL A 46 -1.290 -13.050 -5.778 1.00 0.00 C ATOM 0 H VAL A 46 -2.416 -12.338 -10.003 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.453 -14.266 -7.923 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.157 -13.441 -7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.232 -11.096 -6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.377 -11.231 -8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.470 -10.720 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.421 -12.760 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.150 -12.453 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.505 -14.106 -5.612 1.00 0.00 H new ATOM 722 N ASN A 47 -4.193 -12.834 -6.759 1.00 0.00 N ATOM 723 CA ASN A 47 -5.366 -12.104 -6.293 1.00 0.00 C ATOM 724 C ASN A 47 -4.975 -10.733 -5.751 1.00 0.00 C ATOM 725 O ASN A 47 -4.116 -10.622 -4.877 1.00 0.00 O ATOM 726 CB ASN A 47 -6.093 -12.905 -5.210 1.00 0.00 C ATOM 727 CG ASN A 47 -6.122 -14.391 -5.511 1.00 0.00 C ATOM 728 OD1 ASN A 47 -6.507 -14.807 -6.604 1.00 0.00 O ATOM 729 ND2 ASN A 47 -5.715 -15.199 -4.539 1.00 0.00 N ATOM 0 H ASN A 47 -4.036 -13.725 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.035 -11.961 -7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.603 -12.741 -4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.114 -12.537 -5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.713 -16.209 -4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.404 -14.810 -3.649 1.00 0.00 H new ATOM 736 N ARG A 48 -5.612 -9.692 -6.277 1.00 0.00 N ATOM 737 CA ARG A 48 -5.330 -8.327 -5.847 1.00 0.00 C ATOM 738 C ARG A 48 -5.826 -8.093 -4.423 1.00 0.00 C ATOM 739 O ARG A 48 -5.102 -7.557 -3.585 1.00 0.00 O ATOM 740 CB ARG A 48 -5.985 -7.324 -6.799 1.00 0.00 C ATOM 741 CG ARG A 48 -7.501 -7.431 -6.846 1.00 0.00 C ATOM 742 CD ARG A 48 -8.080 -6.626 -7.999 1.00 0.00 C ATOM 743 NE ARG A 48 -9.531 -6.767 -8.091 1.00 0.00 N ATOM 744 CZ ARG A 48 -10.245 -6.349 -9.129 1.00 0.00 C ATOM 745 NH1 ARG A 48 -9.646 -5.767 -10.159 1.00 0.00 N ATOM 746 NH2 ARG A 48 -11.562 -6.513 -9.139 1.00 0.00 N ATOM 0 H ARG A 48 -6.326 -9.767 -7.001 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.250 -8.182 -5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.710 -6.314 -6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.587 -7.475 -7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.790 -8.477 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.921 -7.076 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.826 -5.574 -7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.624 -6.952 -8.934 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.022 -7.211 -7.315 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.634 -5.640 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.197 -5.447 -10.955 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.026 -6.961 -8.349 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.110 -6.191 -9.937 1.00 0.00 H new ATOM 760 N GLU A 49 -7.064 -8.497 -4.159 1.00 0.00 N ATOM 761 CA GLU A 49 -7.656 -8.329 -2.837 1.00 0.00 C ATOM 762 C GLU A 49 -6.635 -8.625 -1.742 1.00 0.00 C ATOM 763 O GLU A 49 -6.459 -7.836 -0.815 1.00 0.00 O ATOM 764 CB GLU A 49 -8.871 -9.246 -2.678 1.00 0.00 C ATOM 765 CG GLU A 49 -10.117 -8.733 -3.380 1.00 0.00 C ATOM 766 CD GLU A 49 -11.187 -9.797 -3.521 1.00 0.00 C ATOM 767 OE1 GLU A 49 -11.128 -10.571 -4.500 1.00 0.00 O ATOM 768 OE2 GLU A 49 -12.083 -9.858 -2.654 1.00 0.00 O ATOM 0 H GLU A 49 -7.676 -8.943 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.977 -7.292 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.624 -10.233 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.087 -9.369 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.521 -7.888 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.846 -8.362 -4.369 1.00 0.00 H new ATOM 775 N GLU A 50 -5.966 -9.767 -1.858 1.00 0.00 N ATOM 776 CA GLU A 50 -4.964 -10.168 -0.877 1.00 0.00 C ATOM 777 C GLU A 50 -3.939 -9.058 -0.663 1.00 0.00 C ATOM 778 O GLU A 50 -3.573 -8.746 0.470 1.00 0.00 O ATOM 779 CB GLU A 50 -4.258 -11.448 -1.330 1.00 0.00 C ATOM 780 CG GLU A 50 -4.964 -12.720 -0.890 1.00 0.00 C ATOM 781 CD GLU A 50 -6.135 -13.077 -1.785 1.00 0.00 C ATOM 782 OE1 GLU A 50 -6.699 -12.159 -2.417 1.00 0.00 O ATOM 783 OE2 GLU A 50 -6.487 -14.273 -1.853 1.00 0.00 O ATOM 0 H GLU A 50 -6.099 -10.431 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.473 -10.357 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.178 -11.444 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.242 -11.451 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.251 -13.544 -0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.318 -12.599 0.134 1.00 0.00 H new ATOM 790 N VAL A 51 -3.478 -8.466 -1.760 1.00 0.00 N ATOM 791 CA VAL A 51 -2.495 -7.391 -1.694 1.00 0.00 C ATOM 792 C VAL A 51 -3.122 -6.106 -1.162 1.00 0.00 C ATOM 793 O VAL A 51 -2.810 -5.663 -0.057 1.00 0.00 O ATOM 794 CB VAL A 51 -1.873 -7.112 -3.075 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.836 -6.004 -2.980 1.00 0.00 C ATOM 796 CG2 VAL A 51 -1.259 -8.381 -3.648 1.00 0.00 C ATOM 0 H VAL A 51 -3.770 -8.713 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.711 -7.720 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.662 -6.780 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.408 -5.821 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.310 -5.093 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.046 -6.303 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.824 -8.166 -4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.481 -8.744 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.031 -9.143 -3.755 1.00 0.00 H new ATOM 806 N ILE A 52 -4.007 -5.514 -1.956 1.00 0.00 N ATOM 807 CA ILE A 52 -4.679 -4.280 -1.565 1.00 0.00 C ATOM 808 C ILE A 52 -5.150 -4.347 -0.116 1.00 0.00 C ATOM 809 O ILE A 52 -4.687 -3.586 0.733 1.00 0.00 O ATOM 810 CB ILE A 52 -5.887 -3.985 -2.473 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.424 -3.739 -3.911 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.663 -2.786 -1.948 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.550 -3.766 -4.920 1.00 0.00 C ATOM 0 H ILE A 52 -4.276 -5.868 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.951 -3.476 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.548 -4.852 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.923 -2.772 -3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.686 -4.495 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.514 -2.589 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.019 -2.996 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.012 -1.912 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.149 -3.584 -5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.036 -4.741 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.277 -2.992 -4.675 1.00 0.00 H new ATOM 825 N ARG A 53 -6.071 -5.264 0.159 1.00 0.00 N ATOM 826 CA ARG A 53 -6.605 -5.431 1.505 1.00 0.00 C ATOM 827 C ARG A 53 -5.496 -5.321 2.547 1.00 0.00 C ATOM 828 O ARG A 53 -5.498 -4.411 3.375 1.00 0.00 O ATOM 829 CB ARG A 53 -7.308 -6.784 1.634 1.00 0.00 C ATOM 830 CG ARG A 53 -8.543 -6.914 0.757 1.00 0.00 C ATOM 831 CD ARG A 53 -9.667 -6.012 1.240 1.00 0.00 C ATOM 832 NE ARG A 53 -10.945 -6.348 0.617 1.00 0.00 N ATOM 833 CZ ARG A 53 -11.950 -5.489 0.492 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.826 -4.248 0.944 1.00 0.00 N ATOM 835 NH2 ARG A 53 -13.082 -5.870 -0.086 1.00 0.00 N ATOM 0 H ARG A 53 -6.463 -5.903 -0.533 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.328 -4.635 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.605 -7.576 1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.594 -6.938 2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.288 -6.660 -0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.882 -7.950 0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.759 -6.095 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.418 -4.974 1.020 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.072 -7.294 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.957 -3.952 1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.599 -3.590 0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.181 -6.823 -0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.853 -5.209 -0.182 1.00 0.00 H new ATOM 849 N GLU A 54 -4.551 -6.255 2.499 1.00 0.00 N ATOM 850 CA GLU A 54 -3.437 -6.263 3.440 1.00 0.00 C ATOM 851 C GLU A 54 -2.758 -4.897 3.491 1.00 0.00 C ATOM 852 O GLU A 54 -2.753 -4.232 4.527 1.00 0.00 O ATOM 853 CB GLU A 54 -2.419 -7.337 3.051 1.00 0.00 C ATOM 854 CG GLU A 54 -1.125 -7.266 3.845 1.00 0.00 C ATOM 855 CD GLU A 54 -1.199 -8.035 5.149 1.00 0.00 C ATOM 856 OE1 GLU A 54 -1.444 -9.259 5.103 1.00 0.00 O ATOM 857 OE2 GLU A 54 -1.011 -7.414 6.216 1.00 0.00 O ATOM 0 H GLU A 54 -4.535 -7.015 1.819 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.833 -6.490 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.869 -8.320 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.190 -7.241 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.309 -7.662 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.889 -6.223 4.055 1.00 0.00 H new ATOM 864 N LEU A 55 -2.185 -4.486 2.365 1.00 0.00 N ATOM 865 CA LEU A 55 -1.502 -3.200 2.279 1.00 0.00 C ATOM 866 C LEU A 55 -2.198 -2.155 3.145 1.00 0.00 C ATOM 867 O LEU A 55 -1.546 -1.342 3.799 1.00 0.00 O ATOM 868 CB LEU A 55 -1.451 -2.723 0.827 1.00 0.00 C ATOM 869 CG LEU A 55 -0.228 -3.160 0.019 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.448 -2.903 -1.463 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.019 -2.440 0.508 1.00 0.00 C ATOM 0 H LEU A 55 -2.180 -5.025 1.499 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.485 -3.332 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.345 -3.080 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.495 -1.634 0.822 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.085 -4.231 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.432 -3.220 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.317 -3.466 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.618 -1.839 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.879 -2.763 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.886 -1.364 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.187 -2.676 1.559 1.00 0.00 H new ATOM 883 N ALA A 56 -3.527 -2.184 3.146 1.00 0.00 N ATOM 884 CA ALA A 56 -4.312 -1.243 3.935 1.00 0.00 C ATOM 885 C ALA A 56 -4.253 -1.587 5.419 1.00 0.00 C ATOM 886 O ALA A 56 -3.992 -0.725 6.257 1.00 0.00 O ATOM 887 CB ALA A 56 -5.755 -1.223 3.452 1.00 0.00 C ATOM 0 H ALA A 56 -4.083 -2.850 2.609 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.883 -0.250 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.329 -0.516 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.784 -0.920 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.187 -2.219 3.554 1.00 0.00 H new ATOM 893 N GLY A 57 -4.498 -2.855 5.738 1.00 0.00 N ATOM 894 CA GLY A 57 -4.469 -3.291 7.122 1.00 0.00 C ATOM 895 C GLY A 57 -3.159 -2.958 7.807 1.00 0.00 C ATOM 896 O GLY A 57 -3.113 -2.791 9.026 1.00 0.00 O ATOM 0 H GLY A 57 -4.716 -3.588 5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.289 -2.821 7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.634 -4.368 7.164 1.00 0.00 H new ATOM 900 N ILE A 58 -2.090 -2.863 7.022 1.00 0.00 N ATOM 901 CA ILE A 58 -0.773 -2.549 7.562 1.00 0.00 C ATOM 902 C ILE A 58 -0.677 -1.079 7.957 1.00 0.00 C ATOM 903 O ILE A 58 -0.201 -0.747 9.042 1.00 0.00 O ATOM 904 CB ILE A 58 0.341 -2.870 6.548 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.315 -4.356 6.183 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.699 -2.482 7.113 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.178 -4.700 4.989 1.00 0.00 C ATOM 0 H ILE A 58 -2.111 -2.999 6.011 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.638 -3.170 8.447 1.00 0.00 H new ATOM 0 HB ILE A 58 0.166 -2.289 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.648 -4.939 7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.713 -4.653 5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.476 -2.715 6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.712 -1.414 7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.884 -3.039 8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.111 -5.769 4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.832 -4.144 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.214 -4.435 5.200 1.00 0.00 H new ATOM 919 N VAL A 59 -1.134 -0.202 7.068 1.00 0.00 N ATOM 920 CA VAL A 59 -1.102 1.233 7.325 1.00 0.00 C ATOM 921 C VAL A 59 -1.610 1.552 8.727 1.00 0.00 C ATOM 922 O VAL A 59 -0.940 2.237 9.500 1.00 0.00 O ATOM 923 CB VAL A 59 -1.948 2.006 6.296 1.00 0.00 C ATOM 924 CG1 VAL A 59 -2.040 3.476 6.676 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.367 1.843 4.899 1.00 0.00 C ATOM 0 H VAL A 59 -1.530 -0.460 6.164 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.062 1.547 7.239 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.956 1.592 6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.641 4.006 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.505 3.570 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.039 3.907 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.977 2.396 4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.348 2.229 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.359 0.787 4.629 1.00 0.00 H new ATOM 935 N CYS A 60 -2.798 1.050 9.047 1.00 0.00 N ATOM 936 CA CYS A 60 -3.397 1.282 10.357 1.00 0.00 C ATOM 937 C CYS A 60 -2.465 0.817 11.471 1.00 0.00 C ATOM 938 O CYS A 60 -2.339 1.474 12.505 1.00 0.00 O ATOM 939 CB CYS A 60 -4.739 0.556 10.462 1.00 0.00 C ATOM 940 SG CYS A 60 -6.033 1.239 9.400 1.00 0.00 S ATOM 0 H CYS A 60 -3.365 0.481 8.418 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.562 2.354 10.470 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.593 -0.494 10.209 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.078 0.590 11.497 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.129 0.557 9.558 1.00 0.00 H new ATOM 946 N THR A 61 -1.814 -0.322 11.255 1.00 0.00 N ATOM 947 CA THR A 61 -0.896 -0.876 12.241 1.00 0.00 C ATOM 948 C THR A 61 0.143 0.155 12.667 1.00 0.00 C ATOM 949 O THR A 61 0.636 0.126 13.795 1.00 0.00 O ATOM 950 CB THR A 61 -0.172 -2.122 11.697 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.128 -3.076 11.221 1.00 0.00 O ATOM 952 CG2 THR A 61 0.695 -2.758 12.773 1.00 0.00 C ATOM 0 H THR A 61 -1.906 -0.879 10.405 1.00 0.00 H new ATOM 0 HA THR A 61 -1.496 -1.161 13.105 1.00 0.00 H new ATOM 0 HB THR A 61 0.470 -1.810 10.873 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.530 -2.749 10.390 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.196 -3.636 12.365 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.441 -2.039 13.111 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.070 -3.056 13.615 1.00 0.00 H new ATOM 960 N LEU A 62 0.470 1.068 11.759 1.00 0.00 N ATOM 961 CA LEU A 62 1.451 2.110 12.041 1.00 0.00 C ATOM 962 C LEU A 62 0.840 3.214 12.898 1.00 0.00 C ATOM 963 O LEU A 62 1.221 3.399 14.053 1.00 0.00 O ATOM 964 CB LEU A 62 1.987 2.701 10.735 1.00 0.00 C ATOM 965 CG LEU A 62 2.527 1.696 9.717 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.619 2.332 8.338 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.886 1.170 10.156 1.00 0.00 C ATOM 0 H LEU A 62 0.070 1.108 10.821 1.00 0.00 H new ATOM 0 HA LEU A 62 2.275 1.659 12.594 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.188 3.273 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.782 3.406 10.978 1.00 0.00 H new ATOM 0 HG LEU A 62 1.835 0.855 9.662 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.005 1.603 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.629 2.659 8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.289 3.191 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.255 0.456 9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.588 2.000 10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.790 0.677 11.123 1.00 0.00 H new ATOM 979 N ASN A 63 -0.111 3.944 12.325 1.00 0.00 N ATOM 980 CA ASN A 63 -0.776 5.029 13.037 1.00 0.00 C ATOM 981 C ASN A 63 -2.293 4.880 12.962 1.00 0.00 C ATOM 982 O ASN A 63 -2.878 4.924 11.880 1.00 0.00 O ATOM 983 CB ASN A 63 -0.356 6.381 12.458 1.00 0.00 C ATOM 984 CG ASN A 63 -0.377 7.487 13.496 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.072 7.390 14.507 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.386 8.545 13.248 1.00 0.00 N ATOM 0 H ASN A 63 -0.439 3.804 11.369 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.475 4.981 14.084 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.647 6.298 12.040 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.023 6.644 11.637 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.412 9.321 13.909 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.946 8.582 12.396 1.00 0.00 H new ATOM 993 N SER A 64 -2.923 4.704 14.119 1.00 0.00 N ATOM 994 CA SER A 64 -4.371 4.546 14.184 1.00 0.00 C ATOM 995 C SER A 64 -5.076 5.696 13.471 1.00 0.00 C ATOM 996 O SER A 64 -6.182 5.536 12.956 1.00 0.00 O ATOM 997 CB SER A 64 -4.833 4.474 15.641 1.00 0.00 C ATOM 998 OG SER A 64 -6.102 3.853 15.744 1.00 0.00 O ATOM 0 H SER A 64 -2.454 4.667 15.024 1.00 0.00 H new ATOM 0 HA SER A 64 -4.633 3.615 13.681 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.104 3.918 16.230 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.881 5.479 16.060 1.00 0.00 H new ATOM 0 HG SER A 64 -6.374 3.818 16.685 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.427 6.856 13.447 1.00 0.00 N ATOM 1005 CA GLU A 65 -4.992 8.034 12.798 1.00 0.00 C ATOM 1006 C GLU A 65 -5.147 7.806 11.298 1.00 0.00 C ATOM 1007 O GLU A 65 -5.981 8.435 10.647 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.107 9.256 13.051 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.139 9.744 14.490 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.549 9.989 14.991 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.459 10.148 14.151 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.742 10.021 16.225 1.00 0.00 O ATOM 0 H GLU A 65 -3.510 7.005 13.869 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.979 8.215 13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.079 9.012 12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.424 10.066 12.394 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.653 9.008 15.130 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.563 10.666 14.570 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.338 6.902 10.755 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.384 6.592 9.331 1.00 0.00 C ATOM 1021 C ASN A 66 -5.723 5.966 8.954 1.00 0.00 C ATOM 1022 O ASN A 66 -6.222 5.076 9.643 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.242 5.645 8.957 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.881 6.211 9.312 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.672 7.424 9.276 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.948 5.333 9.659 1.00 0.00 N ATOM 0 H ASN A 66 -3.643 6.371 11.280 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.270 7.524 8.777 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.381 4.693 9.469 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.279 5.440 7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.013 5.655 9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.166 4.337 9.675 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.301 6.436 7.853 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.582 5.923 7.382 1.00 0.00 C ATOM 1035 C LYS A 67 -7.661 5.975 5.859 1.00 0.00 C ATOM 1036 O LYS A 67 -7.780 7.049 5.270 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.732 6.727 7.991 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.040 6.354 9.431 1.00 0.00 C ATOM 1039 CD LYS A 67 -10.417 6.839 9.850 1.00 0.00 C ATOM 1040 CE LYS A 67 -11.513 5.915 9.340 1.00 0.00 C ATOM 1041 NZ LYS A 67 -11.530 4.619 10.073 1.00 0.00 N ATOM 0 H LYS A 67 -5.902 7.172 7.270 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.668 4.883 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.487 7.788 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.627 6.579 7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.983 5.272 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.286 6.785 10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.467 6.899 10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.581 7.846 9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.481 6.405 9.447 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.366 5.729 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.419 4.118 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.726 4.036 9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.457 4.797 11.095 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.596 4.807 5.228 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.663 4.719 3.774 1.00 0.00 C ATOM 1057 C VAL A 68 -9.011 5.208 3.256 1.00 0.00 C ATOM 1058 O VAL A 68 -10.062 4.714 3.665 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.432 3.276 3.287 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.356 2.312 4.014 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.629 3.184 1.782 1.00 0.00 C ATOM 0 H VAL A 68 -7.497 3.909 5.701 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.872 5.358 3.382 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.403 2.995 3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.178 1.298 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.160 2.359 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.393 2.588 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.462 2.158 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.646 3.484 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.921 3.844 1.281 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.973 6.181 2.352 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.192 6.737 1.775 1.00 0.00 C ATOM 1073 C ASP A 69 -10.079 6.837 0.257 1.00 0.00 C ATOM 1074 O ASP A 69 -8.989 7.032 -0.283 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.480 8.117 2.370 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.961 8.440 2.391 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.578 8.469 1.305 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.503 8.665 3.493 1.00 0.00 O ATOM 0 H ASP A 69 -8.112 6.601 2.003 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.017 6.067 2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.087 8.161 3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.954 8.876 1.791 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.210 6.701 -0.425 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.238 6.775 -1.882 1.00 0.00 C ATOM 1085 C LEU A 70 -11.999 8.012 -2.350 1.00 0.00 C ATOM 1086 O LEU A 70 -12.203 8.212 -3.548 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.883 5.516 -2.464 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.315 4.183 -1.973 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.199 3.029 -2.422 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.891 3.993 -2.475 1.00 0.00 C ATOM 0 H LEU A 70 -12.120 6.539 0.007 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.210 6.847 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.949 5.540 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.787 5.551 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.296 4.197 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.780 2.089 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.201 3.158 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.250 3.012 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.503 3.040 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.885 4.000 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.263 4.803 -2.104 1.00 0.00 H new ATOM 1102 N THR A 71 -12.413 8.841 -1.397 1.00 0.00 N ATOM 1103 CA THR A 71 -13.150 10.059 -1.711 1.00 0.00 C ATOM 1104 C THR A 71 -12.261 11.290 -1.573 1.00 0.00 C ATOM 1105 O THR A 71 -12.133 12.082 -2.506 1.00 0.00 O ATOM 1106 CB THR A 71 -14.380 10.223 -0.798 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.233 9.079 -0.916 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.156 11.481 -1.157 1.00 0.00 C ATOM 0 H THR A 71 -12.250 8.691 -0.401 1.00 0.00 H new ATOM 0 HA THR A 71 -13.484 9.969 -2.745 1.00 0.00 H new ATOM 0 HB THR A 71 -14.033 10.312 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.012 9.190 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.020 11.576 -0.499 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.512 12.352 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.493 11.418 -2.192 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.648 11.443 -0.404 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.770 12.579 -0.145 1.00 0.00 C ATOM 1118 C ASN A 72 -9.405 12.109 0.348 1.00 0.00 C ATOM 1119 O ASN A 72 -8.924 12.520 1.405 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.403 13.515 0.887 1.00 0.00 C ATOM 1121 CG ASN A 72 -12.274 14.578 0.245 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -12.422 14.620 -0.976 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -12.854 15.444 1.068 1.00 0.00 N ATOM 0 H ASN A 72 -11.743 10.796 0.379 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.632 13.121 -1.081 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.003 12.930 1.585 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.616 13.996 1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.451 16.182 0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.703 15.371 2.074 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.764 11.228 -0.434 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.445 10.685 -0.098 1.00 0.00 C ATOM 1132 C PRO A 73 -6.341 11.732 -0.206 1.00 0.00 C ATOM 1133 O PRO A 73 -6.381 12.600 -1.077 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.239 9.582 -1.140 1.00 0.00 C ATOM 1135 CG PRO A 73 -8.086 9.991 -2.295 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.277 10.696 -1.707 1.00 0.00 C ATOM 0 HA PRO A 73 -7.401 10.331 0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.191 9.499 -1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.541 8.609 -0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.536 10.649 -2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.395 9.124 -2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.636 11.492 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.111 10.012 -1.550 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.359 11.643 0.685 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.245 12.584 0.689 1.00 0.00 C ATOM 1146 C GLN A 74 -3.020 11.980 0.010 1.00 0.00 C ATOM 1147 O GLN A 74 -2.273 12.676 -0.678 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.900 12.992 2.122 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.834 14.045 2.697 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.364 14.572 4.038 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -4.817 14.120 5.090 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -3.450 15.535 4.008 1.00 0.00 N ATOM 0 H GLN A 74 -5.312 10.930 1.413 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.548 13.469 0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.927 12.108 2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.879 13.372 2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.917 14.874 1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.831 13.619 2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.102 15.880 3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.096 15.929 4.879 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.819 10.682 0.209 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.683 9.985 -0.382 1.00 0.00 C ATOM 1163 C TYR A 75 -2.145 8.777 -1.191 1.00 0.00 C ATOM 1164 O TYR A 75 -2.854 7.908 -0.682 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.708 9.540 0.710 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.289 10.655 1.640 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.758 11.506 1.309 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.941 10.860 2.850 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.145 12.526 2.156 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.562 11.878 3.703 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.482 12.708 3.352 1.00 0.00 C ATOM 1172 OH TYR A 75 0.863 13.724 4.198 1.00 0.00 O ATOM 0 H TYR A 75 -3.428 10.091 0.775 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.175 10.676 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.170 8.745 1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.180 9.116 0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.278 11.368 0.373 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.759 10.212 3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.962 13.177 1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.080 12.023 4.639 1.00 0.00 H new ATOM 0 HH TYR A 75 0.294 13.716 4.996 1.00 0.00 H new ATOM 1182 N THR A 76 -1.738 8.729 -2.455 1.00 0.00 N ATOM 1183 CA THR A 76 -2.110 7.630 -3.337 1.00 0.00 C ATOM 1184 C THR A 76 -0.993 6.596 -3.427 1.00 0.00 C ATOM 1185 O THR A 76 0.055 6.850 -4.022 1.00 0.00 O ATOM 1186 CB THR A 76 -2.444 8.134 -4.753 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.492 9.107 -4.692 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.867 6.981 -5.652 1.00 0.00 C ATOM 0 H THR A 76 -1.150 9.439 -2.891 1.00 0.00 H new ATOM 0 HA THR A 76 -2.997 7.166 -2.907 1.00 0.00 H new ATOM 0 HB THR A 76 -1.548 8.592 -5.173 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.697 9.424 -5.596 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.098 7.361 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.056 6.256 -5.720 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.751 6.499 -5.234 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.223 5.429 -2.834 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.236 4.356 -2.850 1.00 0.00 C ATOM 1198 C VAL A 77 -0.585 3.304 -3.896 1.00 0.00 C ATOM 1199 O VAL A 77 -1.440 2.446 -3.670 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.124 3.677 -1.472 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.857 4.428 -0.585 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.491 3.584 -0.811 1.00 0.00 C ATOM 0 H VAL A 77 -2.084 5.203 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 77 0.722 4.810 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 77 0.254 2.665 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.923 3.934 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.840 4.437 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.512 5.453 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.393 3.102 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.901 4.586 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.161 2.998 -1.441 1.00 0.00 H new ATOM 1212 N VAL A 78 0.082 3.374 -5.044 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.157 2.426 -6.126 1.00 0.00 C ATOM 1214 C VAL A 78 0.918 1.345 -6.156 1.00 0.00 C ATOM 1215 O VAL A 78 2.096 1.619 -5.927 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.196 3.134 -7.494 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.218 4.260 -7.483 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.183 3.658 -7.862 1.00 0.00 C ATOM 0 H VAL A 78 0.792 4.077 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.126 1.966 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.497 2.409 -8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.232 4.749 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.206 3.853 -7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.950 4.987 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.137 4.155 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.516 4.368 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.886 2.827 -7.914 1.00 0.00 H new ATOM 1228 N VAL A 79 0.504 0.115 -6.442 1.00 0.00 N ATOM 1229 CA VAL A 79 1.431 -1.009 -6.504 1.00 0.00 C ATOM 1230 C VAL A 79 1.508 -1.580 -7.916 1.00 0.00 C ATOM 1231 O VAL A 79 0.624 -2.320 -8.345 1.00 0.00 O ATOM 1232 CB VAL A 79 1.022 -2.130 -5.530 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.120 -1.648 -4.091 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.385 -2.618 -5.843 1.00 0.00 C ATOM 0 H VAL A 79 -0.468 -0.129 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 79 2.410 -0.627 -6.215 1.00 0.00 H new ATOM 0 HB VAL A 79 1.709 -2.967 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.827 -2.453 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.146 -1.350 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.457 -0.795 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.659 -3.410 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.087 -1.790 -5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.418 -3.004 -6.862 1.00 0.00 H new ATOM 1244 N GLU A 80 2.573 -1.231 -8.632 1.00 0.00 N ATOM 1245 CA GLU A 80 2.765 -1.710 -9.996 1.00 0.00 C ATOM 1246 C GLU A 80 3.547 -3.020 -10.008 1.00 0.00 C ATOM 1247 O GLU A 80 4.470 -3.211 -9.216 1.00 0.00 O ATOM 1248 CB GLU A 80 3.498 -0.658 -10.831 1.00 0.00 C ATOM 1249 CG GLU A 80 3.673 -1.051 -12.288 1.00 0.00 C ATOM 1250 CD GLU A 80 4.313 0.047 -13.116 1.00 0.00 C ATOM 1251 OE1 GLU A 80 5.246 0.704 -12.609 1.00 0.00 O ATOM 1252 OE2 GLU A 80 3.881 0.247 -14.270 1.00 0.00 O ATOM 0 H GLU A 80 3.315 -0.619 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 80 1.782 -1.890 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.948 0.282 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.479 -0.477 -10.392 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.287 -1.950 -12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.701 -1.301 -12.712 1.00 0.00 H new ATOM 1259 N ILE A 81 3.170 -3.919 -10.912 1.00 0.00 N ATOM 1260 CA ILE A 81 3.836 -5.210 -11.027 1.00 0.00 C ATOM 1261 C ILE A 81 4.717 -5.265 -12.271 1.00 0.00 C ATOM 1262 O ILE A 81 4.219 -5.388 -13.391 1.00 0.00 O ATOM 1263 CB ILE A 81 2.819 -6.365 -11.080 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.962 -6.377 -9.813 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.537 -7.695 -11.254 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.767 -6.518 -8.540 1.00 0.00 C ATOM 0 H ILE A 81 2.408 -3.777 -11.574 1.00 0.00 H new ATOM 0 HA ILE A 81 4.458 -5.325 -10.139 1.00 0.00 H new ATOM 0 HB ILE A 81 2.163 -6.214 -11.938 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.383 -5.455 -9.767 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.248 -7.198 -9.875 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.805 -8.502 -11.290 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.108 -7.682 -12.183 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.213 -7.856 -10.415 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.094 -6.519 -7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.325 -7.454 -8.564 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.462 -5.683 -8.455 1.00 0.00 H new ATOM 1278 N ILE A 82 6.027 -5.175 -12.067 1.00 0.00 N ATOM 1279 CA ILE A 82 6.977 -5.218 -13.171 1.00 0.00 C ATOM 1280 C ILE A 82 7.996 -6.335 -12.977 1.00 0.00 C ATOM 1281 O ILE A 82 8.754 -6.338 -12.008 1.00 0.00 O ATOM 1282 CB ILE A 82 7.722 -3.879 -13.325 1.00 0.00 C ATOM 1283 CG1 ILE A 82 6.732 -2.749 -13.615 1.00 0.00 C ATOM 1284 CG2 ILE A 82 8.763 -3.976 -14.430 1.00 0.00 C ATOM 1285 CD1 ILE A 82 7.179 -1.404 -13.085 1.00 0.00 C ATOM 0 H ILE A 82 6.454 -5.072 -11.147 1.00 0.00 H new ATOM 0 HA ILE A 82 6.400 -5.410 -14.076 1.00 0.00 H new ATOM 0 HB ILE A 82 8.234 -3.656 -12.389 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.583 -2.675 -14.692 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.767 -3.001 -13.176 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.281 -3.022 -14.527 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.483 -4.757 -14.184 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.272 -4.219 -15.372 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.429 -0.650 -13.327 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.301 -1.461 -12.003 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.129 -1.130 -13.543 1.00 0.00 H new ATOM 1297 N LYS A 83 8.009 -7.284 -13.907 1.00 0.00 N ATOM 1298 CA LYS A 83 8.937 -8.407 -13.842 1.00 0.00 C ATOM 1299 C LYS A 83 8.788 -9.160 -12.524 1.00 0.00 C ATOM 1300 O LYS A 83 9.775 -9.587 -11.927 1.00 0.00 O ATOM 1301 CB LYS A 83 10.377 -7.915 -14.000 1.00 0.00 C ATOM 1302 CG LYS A 83 10.819 -7.781 -15.447 1.00 0.00 C ATOM 1303 CD LYS A 83 10.434 -6.430 -16.026 1.00 0.00 C ATOM 1304 CE LYS A 83 10.727 -6.358 -17.516 1.00 0.00 C ATOM 1305 NZ LYS A 83 9.822 -7.241 -18.303 1.00 0.00 N ATOM 0 H LYS A 83 7.387 -7.298 -14.715 1.00 0.00 H new ATOM 0 HA LYS A 83 8.701 -9.089 -14.659 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.478 -6.948 -13.507 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.046 -8.606 -13.487 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.899 -7.911 -15.512 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.366 -8.575 -16.041 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.373 -6.248 -15.854 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.981 -5.642 -15.508 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.618 -5.329 -17.858 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.763 -6.646 -17.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.899 -7.005 -19.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.094 -8.234 -18.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.841 -7.101 -17.988 1.00 0.00 H new ATOM 1319 N ALA A 84 7.546 -9.321 -12.077 1.00 0.00 N ATOM 1320 CA ALA A 84 7.268 -10.026 -10.832 1.00 0.00 C ATOM 1321 C ALA A 84 7.797 -9.249 -9.631 1.00 0.00 C ATOM 1322 O ALA A 84 8.084 -9.826 -8.583 1.00 0.00 O ATOM 1323 CB ALA A 84 7.874 -11.421 -10.869 1.00 0.00 C ATOM 0 H ALA A 84 6.717 -8.973 -12.559 1.00 0.00 H new ATOM 0 HA ALA A 84 6.187 -10.114 -10.727 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.659 -11.936 -9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.445 -11.982 -11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.953 -11.345 -11.002 1.00 0.00 H new ATOM 1329 N VAL A 85 7.925 -7.935 -9.792 1.00 0.00 N ATOM 1330 CA VAL A 85 8.420 -7.079 -8.720 1.00 0.00 C ATOM 1331 C VAL A 85 7.309 -6.192 -8.168 1.00 0.00 C ATOM 1332 O VAL A 85 6.320 -5.922 -8.851 1.00 0.00 O ATOM 1333 CB VAL A 85 9.580 -6.189 -9.204 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.046 -4.925 -9.861 1.00 0.00 C ATOM 1335 CG2 VAL A 85 10.507 -5.847 -8.047 1.00 0.00 C ATOM 0 H VAL A 85 7.693 -7.441 -10.654 1.00 0.00 H new ATOM 0 HA VAL A 85 8.782 -7.737 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 85 10.153 -6.742 -9.948 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.880 -4.309 -10.196 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.426 -5.194 -10.717 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.448 -4.366 -9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.321 -5.218 -8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.948 -5.313 -7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.917 -6.765 -7.626 1.00 0.00 H new ATOM 1345 N CYS A 86 7.479 -5.742 -6.930 1.00 0.00 N ATOM 1346 CA CYS A 86 6.490 -4.885 -6.286 1.00 0.00 C ATOM 1347 C CYS A 86 6.959 -3.434 -6.266 1.00 0.00 C ATOM 1348 O CYS A 86 7.836 -3.065 -5.484 1.00 0.00 O ATOM 1349 CB CYS A 86 6.220 -5.366 -4.859 1.00 0.00 C ATOM 1350 SG CYS A 86 4.612 -4.865 -4.203 1.00 0.00 S ATOM 0 H CYS A 86 8.292 -5.956 -6.352 1.00 0.00 H new ATOM 0 HA CYS A 86 5.566 -4.941 -6.862 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.287 -6.454 -4.835 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.003 -4.984 -4.204 1.00 0.00 H new ATOM 0 HG CYS A 86 4.476 -5.321 -2.993 1.00 0.00 H new ATOM 1356 N CYS A 87 6.370 -2.616 -7.131 1.00 0.00 N ATOM 1357 CA CYS A 87 6.729 -1.205 -7.215 1.00 0.00 C ATOM 1358 C CYS A 87 5.682 -0.336 -6.526 1.00 0.00 C ATOM 1359 O CYS A 87 4.540 -0.244 -6.979 1.00 0.00 O ATOM 1360 CB CYS A 87 6.880 -0.781 -8.677 1.00 0.00 C ATOM 1361 SG CYS A 87 8.104 0.521 -8.946 1.00 0.00 S ATOM 0 H CYS A 87 5.642 -2.906 -7.784 1.00 0.00 H new ATOM 0 HA CYS A 87 7.682 -1.067 -6.705 1.00 0.00 H new ATOM 0 HB2 CYS A 87 7.157 -1.653 -9.270 1.00 0.00 H new ATOM 0 HB3 CYS A 87 5.913 -0.438 -9.046 1.00 0.00 H new ATOM 0 HG CYS A 87 8.160 0.809 -10.213 1.00 0.00 H new ATOM 1367 N LEU A 88 6.078 0.300 -5.428 1.00 0.00 N ATOM 1368 CA LEU A 88 5.173 1.161 -4.675 1.00 0.00 C ATOM 1369 C LEU A 88 5.431 2.631 -4.991 1.00 0.00 C ATOM 1370 O LEU A 88 6.512 3.154 -4.719 1.00 0.00 O ATOM 1371 CB LEU A 88 5.334 0.914 -3.174 1.00 0.00 C ATOM 1372 CG LEU A 88 4.511 -0.235 -2.591 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.210 -1.565 -2.826 1.00 0.00 C ATOM 1374 CD2 LEU A 88 4.265 -0.015 -1.105 1.00 0.00 C ATOM 0 H LEU A 88 7.019 0.235 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 88 4.152 0.919 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.387 0.721 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.069 1.829 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 88 3.547 -0.260 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.610 -2.371 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.334 -1.727 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.188 -1.552 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.678 -0.843 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.220 0.037 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.721 0.918 -0.961 1.00 0.00 H new ATOM 1386 N SER A 89 4.431 3.292 -5.564 1.00 0.00 N ATOM 1387 CA SER A 89 4.550 4.702 -5.918 1.00 0.00 C ATOM 1388 C SER A 89 3.541 5.544 -5.143 1.00 0.00 C ATOM 1389 O SER A 89 2.331 5.355 -5.268 1.00 0.00 O ATOM 1390 CB SER A 89 4.342 4.891 -7.421 1.00 0.00 C ATOM 1391 OG SER A 89 5.085 5.997 -7.904 1.00 0.00 O ATOM 0 H SER A 89 3.529 2.874 -5.793 1.00 0.00 H new ATOM 0 HA SER A 89 5.554 5.034 -5.653 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.645 3.987 -7.950 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.283 5.042 -7.628 1.00 0.00 H new ATOM 0 HG SER A 89 4.936 6.095 -8.868 1.00 0.00 H new ATOM 1397 N VAL A 90 4.049 6.475 -4.341 1.00 0.00 N ATOM 1398 CA VAL A 90 3.193 7.348 -3.546 1.00 0.00 C ATOM 1399 C VAL A 90 3.063 8.724 -4.188 1.00 0.00 C ATOM 1400 O VAL A 90 4.037 9.277 -4.699 1.00 0.00 O ATOM 1401 CB VAL A 90 3.735 7.511 -2.113 1.00 0.00 C ATOM 1402 CG1 VAL A 90 2.839 8.438 -1.306 1.00 0.00 C ATOM 1403 CG2 VAL A 90 3.863 6.156 -1.435 1.00 0.00 C ATOM 0 H VAL A 90 5.048 6.644 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 90 2.211 6.876 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 90 4.727 7.960 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.237 8.541 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.804 9.417 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.833 8.021 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.247 6.290 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.885 5.677 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.549 5.528 -2.003 1.00 0.00 H new ATOM 1413 N VAL A 91 1.853 9.273 -4.159 1.00 0.00 N ATOM 1414 CA VAL A 91 1.595 10.586 -4.738 1.00 0.00 C ATOM 1415 C VAL A 91 0.843 11.480 -3.758 1.00 0.00 C ATOM 1416 O VAL A 91 -0.261 11.153 -3.323 1.00 0.00 O ATOM 1417 CB VAL A 91 0.783 10.476 -6.042 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.542 11.854 -6.640 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.495 9.571 -7.037 1.00 0.00 C ATOM 0 H VAL A 91 1.036 8.829 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 91 2.565 11.030 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.186 10.033 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.033 11.756 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.012 12.467 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.499 12.328 -6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.908 9.504 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.478 9.983 -7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.610 8.576 -6.606 1.00 0.00 H new ATOM 1429 N LYS A 92 1.448 12.612 -3.414 1.00 0.00 N ATOM 1430 CA LYS A 92 0.836 13.556 -2.487 1.00 0.00 C ATOM 1431 C LYS A 92 -0.009 14.582 -3.234 1.00 0.00 C ATOM 1432 O LYS A 92 0.515 15.404 -3.985 1.00 0.00 O ATOM 1433 CB LYS A 92 1.914 14.268 -1.666 1.00 0.00 C ATOM 1434 CG LYS A 92 1.355 15.141 -0.556 1.00 0.00 C ATOM 1435 CD LYS A 92 2.457 15.659 0.354 1.00 0.00 C ATOM 1436 CE LYS A 92 2.084 16.997 0.974 1.00 0.00 C ATOM 1437 NZ LYS A 92 1.167 16.833 2.136 1.00 0.00 N ATOM 0 H LYS A 92 2.362 12.898 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 92 0.186 12.996 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.579 13.522 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.518 14.884 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.815 15.982 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.636 14.569 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.651 14.932 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.381 15.765 -0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.989 17.513 1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.608 17.626 0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.936 17.767 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.293 16.363 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.631 16.254 2.865 1.00 0.00 H new ATOM 1451 N SER A 93 -1.320 14.530 -3.021 1.00 0.00 N ATOM 1452 CA SER A 93 -2.239 15.454 -3.677 1.00 0.00 C ATOM 1453 C SER A 93 -3.148 16.132 -2.656 1.00 0.00 C ATOM 1454 O SER A 93 -4.150 15.563 -2.227 1.00 0.00 O ATOM 1455 CB SER A 93 -3.083 14.715 -4.717 1.00 0.00 C ATOM 1456 OG SER A 93 -3.807 15.625 -5.526 1.00 0.00 O ATOM 0 H SER A 93 -1.770 13.858 -2.399 1.00 0.00 H new ATOM 0 HA SER A 93 -1.648 16.221 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.437 14.101 -5.344 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.776 14.040 -4.215 1.00 0.00 H new ATOM 0 HG SER A 93 -4.337 15.128 -6.183 1.00 0.00 H new ATOM 1462 N GLY A 94 -2.789 17.353 -2.272 1.00 0.00 N ATOM 1463 CA GLY A 94 -3.582 18.090 -1.305 1.00 0.00 C ATOM 1464 C GLY A 94 -5.007 18.310 -1.772 1.00 0.00 C ATOM 1465 O GLY A 94 -5.265 18.565 -2.948 1.00 0.00 O ATOM 0 H GLY A 94 -1.963 17.845 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.592 17.548 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.112 19.055 -1.114 1.00 0.00 H new ATOM 1469 N PRO A 95 -5.962 18.210 -0.836 1.00 0.00 N ATOM 1470 CA PRO A 95 -7.385 18.396 -1.134 1.00 0.00 C ATOM 1471 C PRO A 95 -7.724 19.846 -1.464 1.00 0.00 C ATOM 1472 O PRO A 95 -8.779 20.133 -2.029 1.00 0.00 O ATOM 1473 CB PRO A 95 -8.078 17.967 0.162 1.00 0.00 C ATOM 1474 CG PRO A 95 -7.059 18.185 1.226 1.00 0.00 C ATOM 1475 CD PRO A 95 -5.726 17.909 0.586 1.00 0.00 C ATOM 0 HA PRO A 95 -7.696 17.825 -2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.975 18.558 0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.388 16.923 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -7.105 19.205 1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.230 17.520 2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.941 18.538 1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.417 16.874 0.732 1.00 0.00 H new ATOM 1483 N SER A 96 -6.822 20.755 -1.109 1.00 0.00 N ATOM 1484 CA SER A 96 -7.027 22.176 -1.365 1.00 0.00 C ATOM 1485 C SER A 96 -5.935 22.727 -2.278 1.00 0.00 C ATOM 1486 O SER A 96 -6.220 23.312 -3.322 1.00 0.00 O ATOM 1487 CB SER A 96 -7.049 22.955 -0.049 1.00 0.00 C ATOM 1488 OG SER A 96 -5.850 22.757 0.681 1.00 0.00 O ATOM 0 H SER A 96 -5.942 20.533 -0.643 1.00 0.00 H new ATOM 0 HA SER A 96 -7.988 22.295 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.183 24.017 -0.254 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.901 22.636 0.552 1.00 0.00 H new ATOM 0 HG SER A 96 -5.888 23.267 1.517 1.00 0.00 H new ATOM 1494 N SER A 97 -4.683 22.534 -1.875 1.00 0.00 N ATOM 1495 CA SER A 97 -3.547 23.014 -2.653 1.00 0.00 C ATOM 1496 C SER A 97 -3.659 22.570 -4.108 1.00 0.00 C ATOM 1497 O SER A 97 -3.961 21.413 -4.395 1.00 0.00 O ATOM 1498 CB SER A 97 -2.237 22.502 -2.051 1.00 0.00 C ATOM 1499 OG SER A 97 -1.118 23.108 -2.675 1.00 0.00 O ATOM 0 H SER A 97 -4.430 22.049 -1.014 1.00 0.00 H new ATOM 0 HA SER A 97 -3.551 24.104 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.218 22.711 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.179 21.420 -2.165 1.00 0.00 H new ATOM 0 HG SER A 97 -0.293 22.766 -2.271 1.00 0.00 H new ATOM 1505 N GLY A 98 -3.413 23.502 -5.025 1.00 0.00 N ATOM 1506 CA GLY A 98 -3.491 23.189 -6.440 1.00 0.00 C ATOM 1507 C GLY A 98 -4.881 22.757 -6.862 1.00 0.00 C ATOM 1508 O GLY A 98 -5.043 21.752 -7.554 1.00 0.00 O ATOM 0 H GLY A 98 -3.161 24.467 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.194 24.063 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.781 22.396 -6.673 1.00 0.00 H new TER 1512 GLY A 98