USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 684 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 57 ASN : amide:sc= 0.00343 K(o=0.0071,f=-1.6!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 157:sc= 0.00371 (180deg=0) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0.571 USER MOD Set 2.2: A 17 SER OG : rot -108:sc= 1.97 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 125:sc= 0.0147 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc=-0.00175 (180deg=-0.121) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 0:sc= 0.327 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -170:sc= 0.0381 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.03! C(o=-3!,f=-2.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 32:sc= -0.0492 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.862 K(o=-0.86,f=-1.4) USER MOD Single : A 56 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.2) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -70:sc= -0.712 USER MOD Single : A 77 ASN : amide:sc= -0.593 K(o=-0.59,f=-4.2!) USER MOD Single : A 80 SER OG : rot 70:sc= -1.35 USER MOD Single : A 81 SER OG : rot 80:sc= 1.05 USER MOD Single : A 85 SER OG : rot -38:sc= -0.263! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 90 THR OG1 : rot -112:sc= 0.717 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 3.454 0.604 -1.099 1.00 25.51 C ATOM 4 O GLY A 1 4.274 0.109 -0.325 1.00 73.25 O ATOM 0 H1 GLY A 1 0.392 -0.422 -0.154 1.00 13.00 H new ATOM 0 H2 GLY A 1 1.847 -0.556 0.711 1.00 13.00 H new ATOM 0 H3 GLY A 1 1.219 0.977 0.338 1.00 13.00 H new ATOM 0 HA2 GLY A 1 2.161 -1.022 -1.613 1.00 45.03 H new ATOM 0 HA3 GLY A 1 1.512 0.560 -1.998 1.00 45.03 H new ATOM 8 N GLU A 2 3.715 1.674 -1.843 1.00 61.32 N ATOM 9 CA GLU A 2 5.010 2.342 -1.792 1.00 1.11 C ATOM 10 C GLU A 2 4.841 3.836 -1.529 1.00 25.34 C ATOM 11 O GLU A 2 4.736 4.634 -2.460 1.00 14.12 O ATOM 12 CB GLU A 2 5.772 2.127 -3.101 1.00 64.30 C ATOM 13 CG GLU A 2 4.920 2.332 -4.342 1.00 44.23 C ATOM 14 CD GLU A 2 4.699 1.048 -5.117 1.00 32.40 C ATOM 15 OE1 GLU A 2 5.698 0.372 -5.443 1.00 54.41 O ATOM 16 OE2 GLU A 2 3.528 0.718 -5.397 1.00 74.33 O ATOM 0 H GLU A 2 3.047 2.097 -2.488 1.00 61.32 H new ATOM 0 HA GLU A 2 5.582 1.908 -0.972 1.00 1.11 H new ATOM 0 HB2 GLU A 2 6.619 2.812 -3.135 1.00 64.30 H new ATOM 0 HB3 GLU A 2 6.179 1.116 -3.113 1.00 64.30 H new ATOM 0 HG2 GLU A 2 3.955 2.747 -4.051 1.00 44.23 H new ATOM 0 HG3 GLU A 2 5.400 3.065 -4.990 1.00 44.23 H new ATOM 23 N LYS A 3 4.817 4.206 -0.253 1.00 12.41 N ATOM 24 CA LYS A 3 4.662 5.603 0.136 1.00 52.24 C ATOM 25 C LYS A 3 5.972 6.166 0.678 1.00 72.32 C ATOM 26 O LYS A 3 5.976 7.125 1.449 1.00 12.55 O ATOM 27 CB LYS A 3 3.560 5.742 1.189 1.00 62.21 C ATOM 28 CG LYS A 3 2.200 5.263 0.713 1.00 73.13 C ATOM 29 CD LYS A 3 1.344 4.774 1.870 1.00 43.24 C ATOM 30 CE LYS A 3 0.228 3.860 1.390 1.00 74.23 C ATOM 31 NZ LYS A 3 -0.980 3.957 2.256 1.00 24.42 N ATOM 0 H LYS A 3 4.903 3.558 0.530 1.00 12.41 H new ATOM 0 HA LYS A 3 4.382 6.172 -0.751 1.00 52.24 H new ATOM 0 HB2 LYS A 3 3.844 5.177 2.077 1.00 62.21 H new ATOM 0 HB3 LYS A 3 3.484 6.788 1.487 1.00 62.21 H new ATOM 0 HG2 LYS A 3 1.687 6.075 0.198 1.00 73.13 H new ATOM 0 HG3 LYS A 3 2.330 4.458 -0.010 1.00 73.13 H new ATOM 0 HD2 LYS A 3 1.969 4.241 2.587 1.00 43.24 H new ATOM 0 HD3 LYS A 3 0.916 5.629 2.394 1.00 43.24 H new ATOM 0 HE2 LYS A 3 -0.038 4.119 0.365 1.00 74.23 H new ATOM 0 HE3 LYS A 3 0.583 2.830 1.376 1.00 74.23 H new ATOM 0 HZ1 LYS A 3 -1.718 3.319 1.895 1.00 24.42 H new ATOM 0 HZ2 LYS A 3 -0.732 3.685 3.229 1.00 24.42 H new ATOM 0 HZ3 LYS A 3 -1.334 4.935 2.249 1.00 24.42 H new ATOM 45 N THR A 4 7.084 5.563 0.268 1.00 10.22 N ATOM 46 CA THR A 4 8.400 6.004 0.713 1.00 41.25 C ATOM 47 C THR A 4 9.483 5.586 -0.276 1.00 33.44 C ATOM 48 O THR A 4 9.318 4.618 -1.019 1.00 43.54 O ATOM 49 CB THR A 4 8.743 5.437 2.103 1.00 71.21 C ATOM 50 OG1 THR A 4 8.270 4.090 2.213 1.00 61.35 O ATOM 51 CG2 THR A 4 8.125 6.288 3.202 1.00 33.30 C ATOM 0 H THR A 4 7.099 4.768 -0.371 1.00 10.22 H new ATOM 0 HA THR A 4 8.365 7.092 0.772 1.00 41.25 H new ATOM 0 HB THR A 4 9.827 5.452 2.220 1.00 71.21 H new ATOM 0 HG1 THR A 4 9.014 3.501 2.457 1.00 61.35 H new ATOM 0 HG21 THR A 4 8.381 5.868 4.175 1.00 33.30 H new ATOM 0 HG22 THR A 4 8.509 7.306 3.134 1.00 33.30 H new ATOM 0 HG23 THR A 4 7.041 6.301 3.086 1.00 33.30 H new ATOM 59 N VAL A 5 10.591 6.320 -0.278 1.00 60.42 N ATOM 60 CA VAL A 5 11.702 6.023 -1.174 1.00 43.02 C ATOM 61 C VAL A 5 12.816 5.283 -0.442 1.00 60.32 C ATOM 62 O VAL A 5 13.244 5.692 0.638 1.00 74.34 O ATOM 63 CB VAL A 5 12.279 7.308 -1.798 1.00 33.01 C ATOM 64 CG1 VAL A 5 11.301 7.899 -2.802 1.00 10.51 C ATOM 65 CG2 VAL A 5 12.620 8.319 -0.714 1.00 14.30 C ATOM 0 H VAL A 5 10.743 7.124 0.331 1.00 60.42 H new ATOM 0 HA VAL A 5 11.307 5.388 -1.967 1.00 43.02 H new ATOM 0 HB VAL A 5 13.197 7.054 -2.328 1.00 33.01 H new ATOM 0 HG11 VAL A 5 11.725 8.806 -3.233 1.00 10.51 H new ATOM 0 HG12 VAL A 5 11.111 7.175 -3.595 1.00 10.51 H new ATOM 0 HG13 VAL A 5 10.364 8.140 -2.299 1.00 10.51 H new ATOM 0 HG21 VAL A 5 13.026 9.221 -1.172 1.00 14.30 H new ATOM 0 HG22 VAL A 5 11.719 8.571 -0.155 1.00 14.30 H new ATOM 0 HG23 VAL A 5 13.359 7.891 -0.037 1.00 14.30 H new ATOM 75 N LYS A 6 13.283 4.190 -1.037 1.00 42.31 N ATOM 76 CA LYS A 6 14.349 3.392 -0.444 1.00 23.12 C ATOM 77 C LYS A 6 15.717 3.873 -0.917 1.00 61.13 C ATOM 78 O LYS A 6 15.848 4.428 -2.009 1.00 73.33 O ATOM 79 CB LYS A 6 14.166 1.915 -0.798 1.00 74.51 C ATOM 80 CG LYS A 6 13.558 1.091 0.324 1.00 32.10 C ATOM 81 CD LYS A 6 12.048 0.992 0.188 1.00 15.34 C ATOM 82 CE LYS A 6 11.482 -0.123 1.054 1.00 12.01 C ATOM 83 NZ LYS A 6 11.800 -1.469 0.503 1.00 62.15 N ATOM 0 H LYS A 6 12.939 3.837 -1.930 1.00 42.31 H new ATOM 0 HA LYS A 6 14.297 3.509 0.638 1.00 23.12 H new ATOM 0 HB2 LYS A 6 13.530 1.838 -1.680 1.00 74.51 H new ATOM 0 HB3 LYS A 6 15.134 1.491 -1.065 1.00 74.51 H new ATOM 0 HG2 LYS A 6 13.991 0.091 0.318 1.00 32.10 H new ATOM 0 HG3 LYS A 6 13.809 1.541 1.284 1.00 32.10 H new ATOM 0 HD2 LYS A 6 11.593 1.941 0.472 1.00 15.34 H new ATOM 0 HD3 LYS A 6 11.787 0.812 -0.855 1.00 15.34 H new ATOM 0 HE2 LYS A 6 11.885 -0.039 2.063 1.00 12.01 H new ATOM 0 HE3 LYS A 6 10.401 -0.009 1.132 1.00 12.01 H new ATOM 0 HZ1 LYS A 6 11.210 -2.185 0.973 1.00 62.15 H new ATOM 0 HZ2 LYS A 6 11.608 -1.480 -0.519 1.00 62.15 H new ATOM 0 HZ3 LYS A 6 12.804 -1.684 0.669 1.00 62.15 H new ATOM 97 N LEU A 7 16.734 3.656 -0.091 1.00 21.03 N ATOM 98 CA LEU A 7 18.093 4.066 -0.426 1.00 4.12 C ATOM 99 C LEU A 7 19.064 2.897 -0.290 1.00 51.21 C ATOM 100 O LEU A 7 19.132 2.252 0.756 1.00 21.04 O ATOM 101 CB LEU A 7 18.536 5.219 0.477 1.00 45.04 C ATOM 102 CG LEU A 7 17.458 6.240 0.839 1.00 12.40 C ATOM 103 CD1 LEU A 7 17.956 7.180 1.926 1.00 43.44 C ATOM 104 CD2 LEU A 7 17.031 7.025 -0.393 1.00 32.01 C ATOM 0 H LEU A 7 16.643 3.198 0.816 1.00 21.03 H new ATOM 0 HA LEU A 7 18.100 4.401 -1.463 1.00 4.12 H new ATOM 0 HB2 LEU A 7 18.934 4.798 1.400 1.00 45.04 H new ATOM 0 HB3 LEU A 7 19.355 5.744 -0.014 1.00 45.04 H new ATOM 0 HG LEU A 7 16.590 5.703 1.222 1.00 12.40 H new ATOM 0 HD11 LEU A 7 17.175 7.900 2.170 1.00 43.44 H new ATOM 0 HD12 LEU A 7 18.211 6.605 2.816 1.00 43.44 H new ATOM 0 HD13 LEU A 7 18.840 7.710 1.572 1.00 43.44 H new ATOM 0 HD21 LEU A 7 16.263 7.747 -0.116 1.00 32.01 H new ATOM 0 HD22 LEU A 7 17.892 7.551 -0.806 1.00 32.01 H new ATOM 0 HD23 LEU A 7 16.632 6.340 -1.141 1.00 32.01 H new ATOM 116 N TYR A 8 19.814 2.631 -1.354 1.00 1.54 N ATOM 117 CA TYR A 8 20.781 1.540 -1.354 1.00 1.25 C ATOM 118 C TYR A 8 22.208 2.077 -1.399 1.00 4.13 C ATOM 119 O TYR A 8 22.470 3.126 -1.986 1.00 15.40 O ATOM 120 CB TYR A 8 20.535 0.613 -2.545 1.00 22.22 C ATOM 121 CG TYR A 8 19.763 -0.638 -2.190 1.00 0.45 C ATOM 122 CD1 TYR A 8 20.199 -1.482 -1.176 1.00 31.13 C ATOM 123 CD2 TYR A 8 18.599 -0.975 -2.868 1.00 35.32 C ATOM 124 CE1 TYR A 8 19.497 -2.626 -0.848 1.00 22.10 C ATOM 125 CE2 TYR A 8 17.890 -2.116 -2.546 1.00 34.41 C ATOM 126 CZ TYR A 8 18.343 -2.939 -1.535 1.00 40.45 C ATOM 127 OH TYR A 8 17.640 -4.077 -1.213 1.00 5.03 O ATOM 0 H TYR A 8 19.771 3.156 -2.227 1.00 1.54 H new ATOM 0 HA TYR A 8 20.654 0.975 -0.430 1.00 1.25 H new ATOM 0 HB2 TYR A 8 19.990 1.160 -3.314 1.00 22.22 H new ATOM 0 HB3 TYR A 8 21.494 0.328 -2.977 1.00 22.22 H new ATOM 0 HD1 TYR A 8 21.102 -1.240 -0.635 1.00 31.13 H new ATOM 0 HD2 TYR A 8 18.242 -0.334 -3.661 1.00 35.32 H new ATOM 0 HE1 TYR A 8 19.850 -3.272 -0.058 1.00 22.10 H new ATOM 0 HE2 TYR A 8 16.986 -2.363 -3.083 1.00 34.41 H new ATOM 0 HH TYR A 8 16.852 -4.149 -1.791 1.00 5.03 H new ATOM 137 N GLU A 9 23.128 1.348 -0.774 1.00 40.02 N ATOM 138 CA GLU A 9 24.529 1.751 -0.743 1.00 22.33 C ATOM 139 C GLU A 9 25.310 1.094 -1.877 1.00 73.54 C ATOM 140 O GLU A 9 26.237 1.684 -2.431 1.00 3.44 O ATOM 141 CB GLU A 9 25.158 1.384 0.603 1.00 62.20 C ATOM 142 CG GLU A 9 25.334 -0.112 0.805 1.00 44.21 C ATOM 143 CD GLU A 9 25.083 -0.541 2.238 1.00 42.35 C ATOM 144 OE1 GLU A 9 25.494 0.196 3.159 1.00 70.44 O ATOM 145 OE2 GLU A 9 24.475 -1.613 2.437 1.00 22.21 O ATOM 0 H GLU A 9 22.928 0.477 -0.283 1.00 40.02 H new ATOM 0 HA GLU A 9 24.572 2.832 -0.874 1.00 22.33 H new ATOM 0 HB2 GLU A 9 26.130 1.870 0.685 1.00 62.20 H new ATOM 0 HB3 GLU A 9 24.535 1.780 1.405 1.00 62.20 H new ATOM 0 HG2 GLU A 9 24.651 -0.647 0.145 1.00 44.21 H new ATOM 0 HG3 GLU A 9 26.346 -0.397 0.516 1.00 44.21 H new ATOM 152 N ASP A 10 24.927 -0.132 -2.218 1.00 24.30 N ATOM 153 CA ASP A 10 25.590 -0.871 -3.287 1.00 2.33 C ATOM 154 C ASP A 10 24.818 -0.742 -4.596 1.00 41.20 C ATOM 155 O ASP A 10 23.593 -0.865 -4.622 1.00 61.34 O ATOM 156 CB ASP A 10 25.730 -2.345 -2.906 1.00 23.42 C ATOM 157 CG ASP A 10 27.115 -2.680 -2.388 1.00 21.52 C ATOM 158 OD1 ASP A 10 27.489 -2.162 -1.315 1.00 2.12 O ATOM 159 OD2 ASP A 10 27.825 -3.462 -3.055 1.00 35.02 O ATOM 0 H ASP A 10 24.161 -0.635 -1.770 1.00 24.30 H new ATOM 0 HA ASP A 10 26.583 -0.445 -3.428 1.00 2.33 H new ATOM 0 HB2 ASP A 10 24.991 -2.592 -2.144 1.00 23.42 H new ATOM 0 HB3 ASP A 10 25.511 -2.964 -3.776 1.00 23.42 H new ATOM 164 N THR A 11 25.543 -0.492 -5.682 1.00 54.53 N ATOM 165 CA THR A 11 24.926 -0.343 -6.995 1.00 23.53 C ATOM 166 C THR A 11 24.016 -1.525 -7.311 1.00 42.31 C ATOM 167 O THR A 11 24.103 -2.576 -6.676 1.00 23.11 O ATOM 168 CB THR A 11 25.988 -0.217 -8.103 1.00 44.01 C ATOM 169 OG1 THR A 11 26.668 -1.465 -8.275 1.00 22.50 O ATOM 170 CG2 THR A 11 26.995 0.872 -7.766 1.00 4.31 C ATOM 0 H THR A 11 26.558 -0.388 -5.678 1.00 54.53 H new ATOM 0 HA THR A 11 24.333 0.571 -6.965 1.00 23.53 H new ATOM 0 HB THR A 11 25.482 0.051 -9.031 1.00 44.01 H new ATOM 0 HG1 THR A 11 27.340 -1.376 -8.983 1.00 22.50 H new ATOM 0 HG21 THR A 11 27.735 0.942 -8.563 1.00 4.31 H new ATOM 0 HG22 THR A 11 26.479 1.827 -7.665 1.00 4.31 H new ATOM 0 HG23 THR A 11 27.494 0.629 -6.828 1.00 4.31 H new ATOM 178 N HIS A 12 23.143 -1.346 -8.297 1.00 42.44 N ATOM 179 CA HIS A 12 22.217 -2.398 -8.699 1.00 61.52 C ATOM 180 C HIS A 12 21.269 -2.753 -7.558 1.00 11.34 C ATOM 181 O HIS A 12 20.742 -3.864 -7.497 1.00 11.32 O ATOM 182 CB HIS A 12 22.987 -3.643 -9.142 1.00 44.45 C ATOM 183 CG HIS A 12 22.613 -4.123 -10.511 1.00 1.22 C ATOM 184 ND1 HIS A 12 23.414 -3.939 -11.618 1.00 61.31 N ATOM 185 CD2 HIS A 12 21.516 -4.785 -10.947 1.00 41.24 C ATOM 186 CE1 HIS A 12 22.825 -4.466 -12.677 1.00 2.01 C ATOM 187 NE2 HIS A 12 21.672 -4.986 -12.297 1.00 1.01 N ATOM 0 H HIS A 12 23.058 -0.482 -8.832 1.00 42.44 H new ATOM 0 HA HIS A 12 21.627 -2.027 -9.537 1.00 61.52 H new ATOM 0 HB2 HIS A 12 24.055 -3.426 -9.121 1.00 44.45 H new ATOM 0 HB3 HIS A 12 22.810 -4.444 -8.424 1.00 44.45 H new ATOM 0 HD2 HIS A 12 20.675 -5.097 -10.346 1.00 41.24 H new ATOM 0 HE1 HIS A 12 23.219 -4.471 -13.682 1.00 2.01 H new ATOM 0 HE2 HIS A 12 21.006 -5.460 -12.907 1.00 1.01 H new ATOM 195 N PHE A 13 21.057 -1.801 -6.654 1.00 71.42 N ATOM 196 CA PHE A 13 20.174 -2.014 -5.513 1.00 54.34 C ATOM 197 C PHE A 13 20.620 -3.224 -4.698 1.00 14.10 C ATOM 198 O PHE A 13 19.821 -4.109 -4.391 1.00 71.11 O ATOM 199 CB PHE A 13 18.732 -2.207 -5.987 1.00 15.01 C ATOM 200 CG PHE A 13 18.298 -1.201 -7.014 1.00 50.23 C ATOM 201 CD1 PHE A 13 18.522 -1.427 -8.363 1.00 35.43 C ATOM 202 CD2 PHE A 13 17.667 -0.028 -6.631 1.00 43.14 C ATOM 203 CE1 PHE A 13 18.124 -0.504 -9.311 1.00 15.32 C ATOM 204 CE2 PHE A 13 17.267 0.899 -7.575 1.00 13.21 C ATOM 205 CZ PHE A 13 17.496 0.662 -8.916 1.00 62.41 C ATOM 0 H PHE A 13 21.484 -0.876 -6.690 1.00 71.42 H new ATOM 0 HA PHE A 13 20.225 -1.131 -4.876 1.00 54.34 H new ATOM 0 HB2 PHE A 13 18.626 -3.209 -6.404 1.00 15.01 H new ATOM 0 HB3 PHE A 13 18.065 -2.148 -5.127 1.00 15.01 H new ATOM 0 HD1 PHE A 13 19.014 -2.336 -8.677 1.00 35.43 H new ATOM 0 HD2 PHE A 13 17.486 0.164 -5.584 1.00 43.14 H new ATOM 0 HE1 PHE A 13 18.303 -0.693 -10.359 1.00 15.32 H new ATOM 0 HE2 PHE A 13 16.775 1.809 -7.264 1.00 13.21 H new ATOM 0 HZ PHE A 13 17.185 1.386 -9.654 1.00 62.41 H new ATOM 215 N LYS A 14 21.902 -3.256 -4.350 1.00 53.54 N ATOM 216 CA LYS A 14 22.456 -4.355 -3.570 1.00 65.32 C ATOM 217 C LYS A 14 22.698 -3.930 -2.126 1.00 2.25 C ATOM 218 O LYS A 14 22.738 -2.739 -1.817 1.00 60.52 O ATOM 219 CB LYS A 14 23.766 -4.842 -4.196 1.00 13.13 C ATOM 220 CG LYS A 14 23.714 -6.283 -4.672 1.00 35.33 C ATOM 221 CD LYS A 14 24.939 -6.643 -5.495 1.00 73.32 C ATOM 222 CE LYS A 14 26.212 -6.559 -4.667 1.00 35.13 C ATOM 223 NZ LYS A 14 27.099 -7.733 -4.893 1.00 23.10 N ATOM 0 H LYS A 14 22.577 -2.532 -4.596 1.00 53.54 H new ATOM 0 HA LYS A 14 21.733 -5.171 -3.573 1.00 65.32 H new ATOM 0 HB2 LYS A 14 24.017 -4.199 -5.039 1.00 13.13 H new ATOM 0 HB3 LYS A 14 24.568 -4.738 -3.466 1.00 13.13 H new ATOM 0 HG2 LYS A 14 23.644 -6.949 -3.812 1.00 35.33 H new ATOM 0 HG3 LYS A 14 22.815 -6.438 -5.269 1.00 35.33 H new ATOM 0 HD2 LYS A 14 24.828 -7.652 -5.892 1.00 73.32 H new ATOM 0 HD3 LYS A 14 25.015 -5.971 -6.350 1.00 73.32 H new ATOM 0 HE2 LYS A 14 26.749 -5.644 -4.918 1.00 35.13 H new ATOM 0 HE3 LYS A 14 25.954 -6.497 -3.610 1.00 35.13 H new ATOM 0 HZ1 LYS A 14 27.956 -7.638 -4.311 1.00 23.10 H new ATOM 0 HZ2 LYS A 14 26.596 -8.604 -4.629 1.00 23.10 H new ATOM 0 HZ3 LYS A 14 27.366 -7.778 -5.897 1.00 23.10 H new ATOM 237 N GLY A 15 22.861 -4.911 -1.243 1.00 73.33 N ATOM 238 CA GLY A 15 23.098 -4.618 0.158 1.00 40.51 C ATOM 239 C GLY A 15 21.811 -4.453 0.942 1.00 41.32 C ATOM 240 O GLY A 15 20.911 -5.288 0.853 1.00 53.21 O ATOM 0 H GLY A 15 22.833 -5.904 -1.474 1.00 73.33 H new ATOM 0 HA2 GLY A 15 23.688 -5.421 0.599 1.00 40.51 H new ATOM 0 HA3 GLY A 15 23.689 -3.706 0.240 1.00 40.51 H new ATOM 244 N TYR A 16 21.724 -3.375 1.713 1.00 50.53 N ATOM 245 CA TYR A 16 20.539 -3.105 2.519 1.00 64.20 C ATOM 246 C TYR A 16 19.890 -1.787 2.109 1.00 34.12 C ATOM 247 O TYR A 16 20.566 -0.771 1.951 1.00 24.14 O ATOM 248 CB TYR A 16 20.905 -3.066 4.004 1.00 63.43 C ATOM 249 CG TYR A 16 19.707 -3.110 4.924 1.00 35.31 C ATOM 250 CD1 TYR A 16 18.941 -1.974 5.155 1.00 43.44 C ATOM 251 CD2 TYR A 16 19.340 -4.288 5.564 1.00 54.30 C ATOM 252 CE1 TYR A 16 17.846 -2.009 5.995 1.00 15.43 C ATOM 253 CE2 TYR A 16 18.245 -4.332 6.405 1.00 33.30 C ATOM 254 CZ TYR A 16 17.501 -3.190 6.618 1.00 60.33 C ATOM 255 OH TYR A 16 16.410 -3.230 7.456 1.00 65.21 O ATOM 0 H TYR A 16 22.460 -2.674 1.797 1.00 50.53 H new ATOM 0 HA TYR A 16 19.824 -3.910 2.349 1.00 64.20 H new ATOM 0 HB2 TYR A 16 21.558 -3.909 4.231 1.00 63.43 H new ATOM 0 HB3 TYR A 16 21.474 -2.159 4.206 1.00 63.43 H new ATOM 0 HD1 TYR A 16 19.207 -1.047 4.669 1.00 43.44 H new ATOM 0 HD2 TYR A 16 19.921 -5.184 5.401 1.00 54.30 H new ATOM 0 HE1 TYR A 16 17.262 -1.116 6.163 1.00 15.43 H new ATOM 0 HE2 TYR A 16 17.973 -5.256 6.893 1.00 33.30 H new ATOM 0 HH TYR A 16 16.304 -4.137 7.812 1.00 65.21 H new ATOM 265 N SER A 17 18.572 -1.812 1.939 1.00 34.33 N ATOM 266 CA SER A 17 17.829 -0.621 1.545 1.00 72.01 C ATOM 267 C SER A 17 17.182 0.042 2.757 1.00 33.21 C ATOM 268 O SER A 17 16.706 -0.635 3.669 1.00 1.31 O ATOM 269 CB SER A 17 16.757 -0.980 0.513 1.00 25.45 C ATOM 270 OG SER A 17 16.437 -2.360 0.570 1.00 2.43 O ATOM 0 H SER A 17 17.997 -2.644 2.068 1.00 34.33 H new ATOM 0 HA SER A 17 18.531 0.083 1.099 1.00 72.01 H new ATOM 0 HB2 SER A 17 15.860 -0.388 0.694 1.00 25.45 H new ATOM 0 HB3 SER A 17 17.110 -0.726 -0.486 1.00 25.45 H new ATOM 0 HG SER A 17 16.795 -2.812 -0.222 1.00 2.43 H new ATOM 276 N VAL A 18 17.168 1.371 2.760 1.00 53.02 N ATOM 277 CA VAL A 18 16.579 2.127 3.858 1.00 14.24 C ATOM 278 C VAL A 18 15.543 3.123 3.347 1.00 24.13 C ATOM 279 O VAL A 18 15.838 3.954 2.489 1.00 65.41 O ATOM 280 CB VAL A 18 17.654 2.887 4.657 1.00 24.45 C ATOM 281 CG1 VAL A 18 18.464 3.789 3.739 1.00 1.32 C ATOM 282 CG2 VAL A 18 17.016 3.690 5.780 1.00 34.34 C ATOM 0 H VAL A 18 17.558 1.946 2.014 1.00 53.02 H new ATOM 0 HA VAL A 18 16.092 1.405 4.513 1.00 14.24 H new ATOM 0 HB VAL A 18 18.332 2.159 5.102 1.00 24.45 H new ATOM 0 HG11 VAL A 18 19.218 4.318 4.322 1.00 1.32 H new ATOM 0 HG12 VAL A 18 18.953 3.185 2.975 1.00 1.32 H new ATOM 0 HG13 VAL A 18 17.802 4.512 3.262 1.00 1.32 H new ATOM 0 HG21 VAL A 18 17.791 4.220 6.334 1.00 34.34 H new ATOM 0 HG22 VAL A 18 16.314 4.410 5.359 1.00 34.34 H new ATOM 0 HG23 VAL A 18 16.486 3.016 6.453 1.00 34.34 H new ATOM 292 N GLU A 19 14.329 3.033 3.882 1.00 65.24 N ATOM 293 CA GLU A 19 13.250 3.926 3.479 1.00 40.54 C ATOM 294 C GLU A 19 12.878 4.876 4.613 1.00 13.44 C ATOM 295 O GLU A 19 12.968 4.522 5.790 1.00 42.33 O ATOM 296 CB GLU A 19 12.022 3.119 3.051 1.00 5.21 C ATOM 297 CG GLU A 19 11.258 2.511 4.215 1.00 24.01 C ATOM 298 CD GLU A 19 10.505 1.254 3.825 1.00 22.14 C ATOM 299 OE1 GLU A 19 9.716 1.312 2.859 1.00 32.33 O ATOM 300 OE2 GLU A 19 10.705 0.213 4.486 1.00 53.21 O ATOM 0 H GLU A 19 14.069 2.351 4.595 1.00 65.24 H new ATOM 0 HA GLU A 19 13.600 4.517 2.633 1.00 40.54 H new ATOM 0 HB2 GLU A 19 11.351 3.766 2.485 1.00 5.21 H new ATOM 0 HB3 GLU A 19 12.338 2.322 2.378 1.00 5.21 H new ATOM 0 HG2 GLU A 19 11.955 2.278 5.020 1.00 24.01 H new ATOM 0 HG3 GLU A 19 10.554 3.245 4.606 1.00 24.01 H new ATOM 307 N LEU A 20 12.459 6.084 4.252 1.00 3.44 N ATOM 308 CA LEU A 20 12.073 7.087 5.239 1.00 23.03 C ATOM 309 C LEU A 20 10.791 7.798 4.820 1.00 35.13 C ATOM 310 O LEU A 20 10.478 7.920 3.636 1.00 41.43 O ATOM 311 CB LEU A 20 13.198 8.107 5.426 1.00 52.25 C ATOM 312 CG LEU A 20 14.427 7.921 4.535 1.00 1.24 C ATOM 313 CD1 LEU A 20 15.228 9.212 4.455 1.00 72.53 C ATOM 314 CD2 LEU A 20 15.295 6.784 5.055 1.00 11.42 C ATOM 0 H LEU A 20 12.378 6.393 3.283 1.00 3.44 H new ATOM 0 HA LEU A 20 11.891 6.578 6.186 1.00 23.03 H new ATOM 0 HB2 LEU A 20 12.792 9.103 5.248 1.00 52.25 H new ATOM 0 HB3 LEU A 20 13.520 8.076 6.467 1.00 52.25 H new ATOM 0 HG LEU A 20 14.089 7.664 3.531 1.00 1.24 H new ATOM 0 HD11 LEU A 20 16.099 9.061 3.817 1.00 72.53 H new ATOM 0 HD12 LEU A 20 14.604 10.002 4.037 1.00 72.53 H new ATOM 0 HD13 LEU A 20 15.556 9.499 5.454 1.00 72.53 H new ATOM 0 HD21 LEU A 20 16.165 6.666 4.409 1.00 11.42 H new ATOM 0 HD22 LEU A 20 15.624 7.012 6.069 1.00 11.42 H new ATOM 0 HD23 LEU A 20 14.718 5.859 5.060 1.00 11.42 H new ATOM 326 N PRO A 21 10.029 8.280 5.814 1.00 44.32 N ATOM 327 CA PRO A 21 8.770 8.990 5.573 1.00 54.02 C ATOM 328 C PRO A 21 8.988 10.361 4.943 1.00 41.34 C ATOM 329 O PRO A 21 10.084 10.919 5.009 1.00 33.14 O ATOM 330 CB PRO A 21 8.170 9.135 6.974 1.00 64.21 C ATOM 331 CG PRO A 21 9.342 9.092 7.893 1.00 31.02 C ATOM 332 CD PRO A 21 10.340 8.171 7.249 1.00 64.51 C ATOM 0 HA PRO A 21 8.129 8.455 4.873 1.00 54.02 H new ATOM 0 HB2 PRO A 21 7.622 10.072 7.075 1.00 64.21 H new ATOM 0 HB3 PRO A 21 7.468 8.330 7.190 1.00 64.21 H new ATOM 0 HG2 PRO A 21 9.764 10.087 8.034 1.00 31.02 H new ATOM 0 HG3 PRO A 21 9.052 8.726 8.878 1.00 31.02 H new ATOM 0 HD2 PRO A 21 11.364 8.476 7.462 1.00 64.51 H new ATOM 0 HD3 PRO A 21 10.231 7.147 7.607 1.00 64.51 H new ATOM 340 N VAL A 22 7.938 10.901 4.331 1.00 64.51 N ATOM 341 CA VAL A 22 8.015 12.208 3.690 1.00 63.21 C ATOM 342 C VAL A 22 8.666 13.234 4.611 1.00 62.23 C ATOM 343 O VAL A 22 8.211 13.454 5.732 1.00 12.40 O ATOM 344 CB VAL A 22 6.620 12.715 3.280 1.00 70.34 C ATOM 345 CG1 VAL A 22 5.689 12.748 4.482 1.00 72.11 C ATOM 346 CG2 VAL A 22 6.721 14.089 2.635 1.00 21.01 C ATOM 0 H VAL A 22 7.024 10.453 4.266 1.00 64.51 H new ATOM 0 HA VAL A 22 8.627 12.087 2.796 1.00 63.21 H new ATOM 0 HB VAL A 22 6.203 12.025 2.547 1.00 70.34 H new ATOM 0 HG11 VAL A 22 4.708 13.109 4.173 1.00 72.11 H new ATOM 0 HG12 VAL A 22 5.593 11.744 4.895 1.00 72.11 H new ATOM 0 HG13 VAL A 22 6.098 13.415 5.241 1.00 72.11 H new ATOM 0 HG21 VAL A 22 5.726 14.432 2.351 1.00 21.01 H new ATOM 0 HG22 VAL A 22 7.159 14.792 3.343 1.00 21.01 H new ATOM 0 HG23 VAL A 22 7.351 14.029 1.747 1.00 21.01 H new ATOM 356 N GLY A 23 9.736 13.860 4.128 1.00 34.23 N ATOM 357 CA GLY A 23 10.432 14.856 4.921 1.00 64.01 C ATOM 358 C GLY A 23 11.837 15.120 4.415 1.00 13.55 C ATOM 359 O GLY A 23 12.285 14.497 3.453 1.00 23.24 O ATOM 0 H GLY A 23 10.132 13.695 3.203 1.00 34.23 H new ATOM 0 HA2 GLY A 23 9.864 15.786 4.910 1.00 64.01 H new ATOM 0 HA3 GLY A 23 10.479 14.523 5.958 1.00 64.01 H new ATOM 363 N ASP A 24 12.532 16.048 5.064 1.00 50.43 N ATOM 364 CA ASP A 24 13.894 16.395 4.674 1.00 31.10 C ATOM 365 C ASP A 24 14.892 15.958 5.741 1.00 24.23 C ATOM 366 O ASP A 24 14.619 16.054 6.938 1.00 31.40 O ATOM 367 CB ASP A 24 14.011 17.901 4.434 1.00 21.15 C ATOM 368 CG ASP A 24 13.028 18.698 5.269 1.00 40.10 C ATOM 369 OD1 ASP A 24 12.994 18.494 6.500 1.00 12.34 O ATOM 370 OD2 ASP A 24 12.292 19.525 4.691 1.00 42.24 O ATOM 0 H ASP A 24 12.175 16.573 5.862 1.00 50.43 H new ATOM 0 HA ASP A 24 14.126 15.869 3.748 1.00 31.10 H new ATOM 0 HB2 ASP A 24 15.026 18.225 4.665 1.00 21.15 H new ATOM 0 HB3 ASP A 24 13.841 18.112 3.378 1.00 21.15 H new ATOM 375 N TYR A 25 16.049 15.477 5.300 1.00 3.02 N ATOM 376 CA TYR A 25 17.087 15.022 6.217 1.00 23.33 C ATOM 377 C TYR A 25 18.435 15.646 5.868 1.00 11.13 C ATOM 378 O TYR A 25 18.720 15.924 4.704 1.00 32.13 O ATOM 379 CB TYR A 25 17.195 13.496 6.182 1.00 0.31 C ATOM 380 CG TYR A 25 15.859 12.793 6.269 1.00 65.21 C ATOM 381 CD1 TYR A 25 15.006 12.744 5.174 1.00 74.02 C ATOM 382 CD2 TYR A 25 15.451 12.178 7.446 1.00 70.21 C ATOM 383 CE1 TYR A 25 13.784 12.103 5.248 1.00 0.05 C ATOM 384 CE2 TYR A 25 14.232 11.533 7.529 1.00 10.42 C ATOM 385 CZ TYR A 25 13.402 11.499 6.428 1.00 20.21 C ATOM 386 OH TYR A 25 12.186 10.859 6.508 1.00 43.14 O ATOM 0 H TYR A 25 16.292 15.392 4.313 1.00 3.02 H new ATOM 0 HA TYR A 25 16.811 15.338 7.223 1.00 23.33 H new ATOM 0 HB2 TYR A 25 17.695 13.196 5.261 1.00 0.31 H new ATOM 0 HB3 TYR A 25 17.825 13.166 7.008 1.00 0.31 H new ATOM 0 HD1 TYR A 25 15.303 13.215 4.249 1.00 74.02 H new ATOM 0 HD2 TYR A 25 16.098 12.205 8.311 1.00 70.21 H new ATOM 0 HE1 TYR A 25 13.132 12.075 4.387 1.00 0.05 H new ATOM 0 HE2 TYR A 25 13.931 11.058 8.451 1.00 10.42 H new ATOM 0 HH TYR A 25 11.723 10.927 5.647 1.00 43.14 H new ATOM 396 N ASN A 26 19.261 15.863 6.887 1.00 54.11 N ATOM 397 CA ASN A 26 20.579 16.455 6.689 1.00 20.54 C ATOM 398 C ASN A 26 21.665 15.384 6.717 1.00 23.42 C ATOM 399 O ASN A 26 21.378 14.196 6.875 1.00 2.22 O ATOM 400 CB ASN A 26 20.856 17.506 7.766 1.00 32.21 C ATOM 401 CG ASN A 26 20.639 18.920 7.263 1.00 61.22 C ATOM 402 OD1 ASN A 26 21.548 19.749 7.298 1.00 43.15 O ATOM 403 ND2 ASN A 26 19.430 19.201 6.792 1.00 52.12 N ATOM 0 H ASN A 26 19.041 15.638 7.857 1.00 54.11 H new ATOM 0 HA ASN A 26 20.591 16.935 5.711 1.00 20.54 H new ATOM 0 HB2 ASN A 26 20.207 17.324 8.623 1.00 32.21 H new ATOM 0 HB3 ASN A 26 21.883 17.401 8.116 1.00 32.21 H new ATOM 0 HD21 ASN A 26 19.225 20.136 6.440 1.00 52.12 H new ATOM 0 HD22 ASN A 26 18.707 18.482 6.782 1.00 52.12 H new ATOM 410 N LEU A 27 22.914 15.811 6.563 1.00 14.13 N ATOM 411 CA LEU A 27 24.044 14.889 6.571 1.00 4.44 C ATOM 412 C LEU A 27 24.071 14.071 7.859 1.00 40.44 C ATOM 413 O LEU A 27 24.307 12.863 7.833 1.00 15.55 O ATOM 414 CB LEU A 27 25.357 15.660 6.416 1.00 33.11 C ATOM 415 CG LEU A 27 26.628 14.906 6.809 1.00 50.40 C ATOM 416 CD1 LEU A 27 27.791 15.323 5.922 1.00 1.34 C ATOM 417 CD2 LEU A 27 26.959 15.147 8.275 1.00 61.04 C ATOM 0 H LEU A 27 23.169 16.790 6.431 1.00 14.13 H new ATOM 0 HA LEU A 27 23.929 14.205 5.730 1.00 4.44 H new ATOM 0 HB2 LEU A 27 25.451 15.973 5.376 1.00 33.11 H new ATOM 0 HB3 LEU A 27 25.296 16.567 7.017 1.00 33.11 H new ATOM 0 HG LEU A 27 26.454 13.839 6.667 1.00 50.40 H new ATOM 0 HD11 LEU A 27 28.687 14.776 6.216 1.00 1.34 H new ATOM 0 HD12 LEU A 27 27.554 15.099 4.882 1.00 1.34 H new ATOM 0 HD13 LEU A 27 27.967 16.393 6.031 1.00 1.34 H new ATOM 0 HD21 LEU A 27 27.866 14.603 8.537 1.00 61.04 H new ATOM 0 HD22 LEU A 27 27.114 16.213 8.443 1.00 61.04 H new ATOM 0 HD23 LEU A 27 26.134 14.798 8.896 1.00 61.04 H new ATOM 429 N SER A 28 23.826 14.738 8.982 1.00 31.23 N ATOM 430 CA SER A 28 23.823 14.073 10.280 1.00 23.12 C ATOM 431 C SER A 28 22.614 13.153 10.417 1.00 70.23 C ATOM 432 O SER A 28 22.648 12.171 11.159 1.00 55.41 O ATOM 433 CB SER A 28 23.821 15.108 11.407 1.00 72.21 C ATOM 434 OG SER A 28 25.050 15.097 12.112 1.00 31.43 O ATOM 0 H SER A 28 23.627 15.738 9.020 1.00 31.23 H new ATOM 0 HA SER A 28 24.727 13.469 10.353 1.00 23.12 H new ATOM 0 HB2 SER A 28 23.645 16.101 10.993 1.00 72.21 H new ATOM 0 HB3 SER A 28 23.002 14.899 12.095 1.00 72.21 H new ATOM 0 HG SER A 28 25.024 15.768 12.826 1.00 31.43 H new ATOM 440 N SER A 29 21.546 13.478 9.695 1.00 44.02 N ATOM 441 CA SER A 29 20.324 12.684 9.737 1.00 20.03 C ATOM 442 C SER A 29 20.480 11.403 8.923 1.00 13.20 C ATOM 443 O SER A 29 19.853 10.385 9.220 1.00 63.13 O ATOM 444 CB SER A 29 19.143 13.499 9.207 1.00 72.32 C ATOM 445 OG SER A 29 18.980 14.699 9.942 1.00 33.14 O ATOM 0 H SER A 29 21.503 14.286 9.074 1.00 44.02 H new ATOM 0 HA SER A 29 20.132 12.412 10.775 1.00 20.03 H new ATOM 0 HB2 SER A 29 19.302 13.733 8.154 1.00 72.32 H new ATOM 0 HB3 SER A 29 18.231 12.905 9.268 1.00 72.32 H new ATOM 0 HG SER A 29 18.133 15.123 9.692 1.00 33.14 H new ATOM 451 N LEU A 30 21.319 11.462 7.895 1.00 72.21 N ATOM 452 CA LEU A 30 21.558 10.307 7.036 1.00 3.20 C ATOM 453 C LEU A 30 22.133 9.143 7.837 1.00 61.15 C ATOM 454 O LEU A 30 21.649 8.014 7.744 1.00 42.42 O ATOM 455 CB LEU A 30 22.513 10.681 5.900 1.00 32.35 C ATOM 456 CG LEU A 30 21.872 11.322 4.669 1.00 3.20 C ATOM 457 CD1 LEU A 30 22.841 12.289 4.006 1.00 11.33 C ATOM 458 CD2 LEU A 30 21.425 10.253 3.683 1.00 54.22 C ATOM 0 H LEU A 30 21.845 12.297 7.636 1.00 72.21 H new ATOM 0 HA LEU A 30 20.603 9.996 6.612 1.00 3.20 H new ATOM 0 HB2 LEU A 30 23.263 11.367 6.294 1.00 32.35 H new ATOM 0 HB3 LEU A 30 23.040 9.781 5.584 1.00 32.35 H new ATOM 0 HG LEU A 30 20.994 11.882 4.990 1.00 3.20 H new ATOM 0 HD11 LEU A 30 22.368 12.736 3.132 1.00 11.33 H new ATOM 0 HD12 LEU A 30 23.113 13.073 4.712 1.00 11.33 H new ATOM 0 HD13 LEU A 30 23.738 11.752 3.698 1.00 11.33 H new ATOM 0 HD21 LEU A 30 20.971 10.727 2.813 1.00 54.22 H new ATOM 0 HD22 LEU A 30 22.287 9.666 3.367 1.00 54.22 H new ATOM 0 HD23 LEU A 30 20.696 9.599 4.161 1.00 54.22 H new ATOM 470 N ILE A 31 23.166 9.425 8.623 1.00 0.42 N ATOM 471 CA ILE A 31 23.804 8.402 9.442 1.00 0.43 C ATOM 472 C ILE A 31 22.857 7.894 10.524 1.00 53.41 C ATOM 473 O ILE A 31 22.959 6.750 10.966 1.00 4.21 O ATOM 474 CB ILE A 31 25.087 8.933 10.108 1.00 43.52 C ATOM 475 CG1 ILE A 31 26.096 9.372 9.044 1.00 53.11 C ATOM 476 CG2 ILE A 31 25.693 7.871 11.013 1.00 12.54 C ATOM 477 CD1 ILE A 31 26.147 10.870 8.841 1.00 2.33 C ATOM 0 H ILE A 31 23.579 10.353 8.710 1.00 0.42 H new ATOM 0 HA ILE A 31 24.064 7.581 8.774 1.00 0.43 H new ATOM 0 HB ILE A 31 24.830 9.799 10.718 1.00 43.52 H new ATOM 0 HG12 ILE A 31 27.087 9.018 9.327 1.00 53.11 H new ATOM 0 HG13 ILE A 31 25.845 8.894 8.097 1.00 53.11 H new ATOM 0 HG21 ILE A 31 26.599 8.262 11.476 1.00 12.54 H new ATOM 0 HG22 ILE A 31 24.976 7.602 11.789 1.00 12.54 H new ATOM 0 HG23 ILE A 31 25.939 6.988 10.424 1.00 12.54 H new ATOM 0 HD11 ILE A 31 26.883 11.108 8.073 1.00 2.33 H new ATOM 0 HD12 ILE A 31 25.166 11.228 8.527 1.00 2.33 H new ATOM 0 HD13 ILE A 31 26.428 11.355 9.776 1.00 2.33 H new ATOM 489 N SER A 32 21.933 8.753 10.945 1.00 71.45 N ATOM 490 CA SER A 32 20.967 8.392 11.976 1.00 25.31 C ATOM 491 C SER A 32 20.221 7.115 11.599 1.00 5.33 C ATOM 492 O SER A 32 19.862 6.315 12.463 1.00 2.33 O ATOM 493 CB SER A 32 19.972 9.533 12.194 1.00 74.51 C ATOM 494 OG SER A 32 19.817 9.818 13.573 1.00 33.13 O ATOM 0 H SER A 32 21.833 9.703 10.588 1.00 71.45 H new ATOM 0 HA SER A 32 21.512 8.213 12.903 1.00 25.31 H new ATOM 0 HB2 SER A 32 20.317 10.425 11.672 1.00 74.51 H new ATOM 0 HB3 SER A 32 19.007 9.265 11.764 1.00 74.51 H new ATOM 0 HG SER A 32 19.177 10.552 13.685 1.00 33.13 H new ATOM 500 N ARG A 33 19.992 6.932 10.303 1.00 2.21 N ATOM 501 CA ARG A 33 19.288 5.754 9.811 1.00 41.43 C ATOM 502 C ARG A 33 20.264 4.616 9.528 1.00 42.23 C ATOM 503 O ARG A 33 19.875 3.450 9.474 1.00 44.31 O ATOM 504 CB ARG A 33 18.504 6.096 8.542 1.00 64.20 C ATOM 505 CG ARG A 33 17.734 7.403 8.635 1.00 33.52 C ATOM 506 CD ARG A 33 16.340 7.271 8.041 1.00 21.11 C ATOM 507 NE ARG A 33 15.314 7.151 9.073 1.00 1.15 N ATOM 508 CZ ARG A 33 14.966 8.145 9.883 1.00 40.44 C ATOM 509 NH1 ARG A 33 15.558 9.327 9.779 1.00 4.02 N ATOM 510 NH2 ARG A 33 14.023 7.959 10.797 1.00 21.14 N ATOM 0 H ARG A 33 20.284 7.584 9.575 1.00 2.21 H new ATOM 0 HA ARG A 33 18.592 5.428 10.584 1.00 41.43 H new ATOM 0 HB2 ARG A 33 19.196 6.151 7.701 1.00 64.20 H new ATOM 0 HB3 ARG A 33 17.805 5.287 8.328 1.00 64.20 H new ATOM 0 HG2 ARG A 33 17.659 7.709 9.678 1.00 33.52 H new ATOM 0 HG3 ARG A 33 18.281 8.187 8.112 1.00 33.52 H new ATOM 0 HD2 ARG A 33 16.128 8.140 7.418 1.00 21.11 H new ATOM 0 HD3 ARG A 33 16.304 6.397 7.391 1.00 21.11 H new ATOM 0 HE ARG A 33 14.838 6.255 9.178 1.00 1.15 H new ATOM 0 HH11 ARG A 33 16.282 9.475 9.076 1.00 4.02 H new ATOM 0 HH12 ARG A 33 15.289 10.089 10.402 1.00 4.02 H new ATOM 0 HH21 ARG A 33 13.564 7.052 10.879 1.00 21.14 H new ATOM 0 HH22 ARG A 33 13.757 8.723 11.418 1.00 21.14 H new ATOM 524 N GLY A 34 21.535 4.964 9.347 1.00 52.12 N ATOM 525 CA GLY A 34 22.546 3.961 9.071 1.00 64.11 C ATOM 526 C GLY A 34 23.128 4.092 7.677 1.00 75.40 C ATOM 527 O GLY A 34 23.336 3.093 6.988 1.00 54.51 O ATOM 0 H GLY A 34 21.882 5.922 9.387 1.00 52.12 H new ATOM 0 HA2 GLY A 34 23.347 4.046 9.805 1.00 64.11 H new ATOM 0 HA3 GLY A 34 22.110 2.969 9.188 1.00 64.11 H new ATOM 531 N ALA A 35 23.389 5.326 7.260 1.00 53.12 N ATOM 532 CA ALA A 35 23.949 5.584 5.939 1.00 23.32 C ATOM 533 C ALA A 35 24.736 6.890 5.922 1.00 53.11 C ATOM 534 O ALA A 35 24.214 7.946 6.283 1.00 75.25 O ATOM 535 CB ALA A 35 22.844 5.617 4.894 1.00 62.40 C ATOM 0 H ALA A 35 23.222 6.163 7.818 1.00 53.12 H new ATOM 0 HA ALA A 35 24.636 4.773 5.698 1.00 23.32 H new ATOM 0 HB1 ALA A 35 23.277 5.811 3.913 1.00 62.40 H new ATOM 0 HB2 ALA A 35 22.328 4.657 4.880 1.00 62.40 H new ATOM 0 HB3 ALA A 35 22.134 6.407 5.140 1.00 62.40 H new ATOM 541 N LEU A 36 25.993 6.812 5.502 1.00 44.55 N ATOM 542 CA LEU A 36 26.853 7.990 5.438 1.00 72.52 C ATOM 543 C LEU A 36 26.431 8.910 4.297 1.00 4.42 C ATOM 544 O LEU A 36 26.037 8.449 3.227 1.00 21.22 O ATOM 545 CB LEU A 36 28.313 7.570 5.257 1.00 12.20 C ATOM 546 CG LEU A 36 29.324 8.241 6.188 1.00 71.14 C ATOM 547 CD1 LEU A 36 29.385 9.737 5.921 1.00 74.24 C ATOM 548 CD2 LEU A 36 28.970 7.971 7.643 1.00 62.22 C ATOM 0 H LEU A 36 26.440 5.946 5.201 1.00 44.55 H new ATOM 0 HA LEU A 36 26.752 8.536 6.376 1.00 72.52 H new ATOM 0 HB2 LEU A 36 28.380 6.491 5.397 1.00 12.20 H new ATOM 0 HB3 LEU A 36 28.605 7.776 4.227 1.00 12.20 H new ATOM 0 HG LEU A 36 30.308 7.817 5.990 1.00 71.14 H new ATOM 0 HD11 LEU A 36 30.110 10.197 6.593 1.00 74.24 H new ATOM 0 HD12 LEU A 36 29.687 9.910 4.888 1.00 74.24 H new ATOM 0 HD13 LEU A 36 28.402 10.177 6.091 1.00 74.24 H new ATOM 0 HD21 LEU A 36 29.700 8.456 8.291 1.00 62.22 H new ATOM 0 HD22 LEU A 36 27.977 8.367 7.855 1.00 62.22 H new ATOM 0 HD23 LEU A 36 28.979 6.897 7.826 1.00 62.22 H new ATOM 560 N ASN A 37 26.520 10.215 4.534 1.00 53.34 N ATOM 561 CA ASN A 37 26.149 11.202 3.525 1.00 21.52 C ATOM 562 C ASN A 37 26.854 10.918 2.202 1.00 3.42 C ATOM 563 O ASN A 37 26.325 11.211 1.130 1.00 71.42 O ATOM 564 CB ASN A 37 26.495 12.611 4.009 1.00 42.20 C ATOM 565 CG ASN A 37 27.972 12.924 3.868 1.00 43.40 C ATOM 566 OD1 ASN A 37 28.409 13.469 2.854 1.00 53.21 O ATOM 567 ND2 ASN A 37 28.750 12.580 4.888 1.00 51.11 N ATOM 0 H ASN A 37 26.845 10.614 5.415 1.00 53.34 H new ATOM 0 HA ASN A 37 25.073 11.135 3.364 1.00 21.52 H new ATOM 0 HB2 ASN A 37 25.916 13.340 3.441 1.00 42.20 H new ATOM 0 HB3 ASN A 37 26.202 12.716 5.054 1.00 42.20 H new ATOM 0 HD21 ASN A 37 29.752 12.766 4.850 1.00 51.11 H new ATOM 0 HD22 ASN A 37 28.345 12.130 5.709 1.00 51.11 H new ATOM 574 N ASP A 38 28.051 10.347 2.286 1.00 12.45 N ATOM 575 CA ASP A 38 28.829 10.023 1.096 1.00 35.34 C ATOM 576 C ASP A 38 29.099 8.523 1.016 1.00 12.52 C ATOM 577 O ASP A 38 30.189 8.060 1.353 1.00 54.31 O ATOM 578 CB ASP A 38 30.150 10.792 1.099 1.00 2.42 C ATOM 579 CG ASP A 38 30.765 10.883 2.482 1.00 34.12 C ATOM 580 OD1 ASP A 38 31.191 9.835 3.011 1.00 4.41 O ATOM 581 OD2 ASP A 38 30.818 12.001 3.036 1.00 12.12 O ATOM 0 H ASP A 38 28.503 10.099 3.166 1.00 12.45 H new ATOM 0 HA ASP A 38 28.249 10.317 0.221 1.00 35.34 H new ATOM 0 HB2 ASP A 38 30.853 10.304 0.424 1.00 2.42 H new ATOM 0 HB3 ASP A 38 29.983 11.797 0.712 1.00 2.42 H new ATOM 586 N ASP A 39 28.100 7.771 0.569 1.00 33.45 N ATOM 587 CA ASP A 39 28.229 6.323 0.445 1.00 2.41 C ATOM 588 C ASP A 39 27.124 5.753 -0.438 1.00 70.21 C ATOM 589 O ASP A 39 27.362 4.856 -1.248 1.00 25.32 O ATOM 590 CB ASP A 39 28.187 5.666 1.825 1.00 30.42 C ATOM 591 CG ASP A 39 27.887 4.182 1.750 1.00 33.53 C ATOM 592 OD1 ASP A 39 28.449 3.507 0.863 1.00 61.02 O ATOM 593 OD2 ASP A 39 27.089 3.695 2.579 1.00 73.43 O ATOM 0 H ASP A 39 27.192 8.139 0.286 1.00 33.45 H new ATOM 0 HA ASP A 39 29.190 6.107 -0.022 1.00 2.41 H new ATOM 0 HB2 ASP A 39 29.144 5.816 2.325 1.00 30.42 H new ATOM 0 HB3 ASP A 39 27.429 6.157 2.435 1.00 30.42 H new ATOM 598 N LEU A 40 25.914 6.278 -0.276 1.00 64.43 N ATOM 599 CA LEU A 40 24.771 5.820 -1.058 1.00 70.02 C ATOM 600 C LEU A 40 25.091 5.833 -2.550 1.00 11.14 C ATOM 601 O LEU A 40 25.618 6.815 -3.073 1.00 32.30 O ATOM 602 CB LEU A 40 23.552 6.701 -0.779 1.00 32.52 C ATOM 603 CG LEU A 40 22.563 6.168 0.259 1.00 3.44 C ATOM 604 CD1 LEU A 40 23.286 5.803 1.546 1.00 21.15 C ATOM 605 CD2 LEU A 40 21.472 7.193 0.531 1.00 12.40 C ATOM 0 H LEU A 40 25.699 7.021 0.389 1.00 64.43 H new ATOM 0 HA LEU A 40 24.547 4.795 -0.762 1.00 70.02 H new ATOM 0 HB2 LEU A 40 23.903 7.679 -0.449 1.00 32.52 H new ATOM 0 HB3 LEU A 40 23.017 6.854 -1.716 1.00 32.52 H new ATOM 0 HG LEU A 40 22.097 5.267 -0.140 1.00 3.44 H new ATOM 0 HD11 LEU A 40 22.567 5.426 2.273 1.00 21.15 H new ATOM 0 HD12 LEU A 40 24.031 5.034 1.340 1.00 21.15 H new ATOM 0 HD13 LEU A 40 23.780 6.687 1.949 1.00 21.15 H new ATOM 0 HD21 LEU A 40 20.777 6.797 1.272 1.00 12.40 H new ATOM 0 HD22 LEU A 40 21.921 8.111 0.909 1.00 12.40 H new ATOM 0 HD23 LEU A 40 20.935 7.406 -0.393 1.00 12.40 H new ATOM 617 N SER A 41 24.767 4.737 -3.229 1.00 13.43 N ATOM 618 CA SER A 41 25.021 4.622 -4.660 1.00 11.00 C ATOM 619 C SER A 41 23.780 4.122 -5.394 1.00 0.44 C ATOM 620 O SER A 41 23.816 3.872 -6.598 1.00 43.12 O ATOM 621 CB SER A 41 26.195 3.675 -4.916 1.00 73.12 C ATOM 622 OG SER A 41 27.128 4.251 -5.813 1.00 64.11 O ATOM 0 H SER A 41 24.328 3.916 -2.811 1.00 13.43 H new ATOM 0 HA SER A 41 25.272 5.612 -5.040 1.00 11.00 H new ATOM 0 HB2 SER A 41 26.689 3.440 -3.973 1.00 73.12 H new ATOM 0 HB3 SER A 41 25.825 2.735 -5.325 1.00 73.12 H new ATOM 0 HG SER A 41 27.870 3.627 -5.959 1.00 64.11 H new ATOM 628 N SER A 42 22.683 3.980 -4.657 1.00 75.45 N ATOM 629 CA SER A 42 21.430 3.506 -5.236 1.00 4.22 C ATOM 630 C SER A 42 20.236 4.006 -4.429 1.00 20.12 C ATOM 631 O SER A 42 20.388 4.477 -3.302 1.00 52.43 O ATOM 632 CB SER A 42 21.417 1.977 -5.295 1.00 0.54 C ATOM 633 OG SER A 42 21.943 1.510 -6.524 1.00 62.34 O ATOM 0 H SER A 42 22.636 4.186 -3.659 1.00 75.45 H new ATOM 0 HA SER A 42 21.353 3.902 -6.249 1.00 4.22 H new ATOM 0 HB2 SER A 42 22.002 1.573 -4.469 1.00 0.54 H new ATOM 0 HB3 SER A 42 20.397 1.614 -5.171 1.00 0.54 H new ATOM 0 HG SER A 42 22.628 2.133 -6.845 1.00 62.34 H new ATOM 639 N ALA A 43 19.048 3.899 -5.014 1.00 72.33 N ATOM 640 CA ALA A 43 17.827 4.337 -4.350 1.00 54.32 C ATOM 641 C ALA A 43 16.593 3.959 -5.163 1.00 63.04 C ATOM 642 O ALA A 43 16.522 4.228 -6.363 1.00 4.14 O ATOM 643 CB ALA A 43 17.865 5.840 -4.114 1.00 32.22 C ATOM 0 H ALA A 43 18.905 3.512 -5.947 1.00 72.33 H new ATOM 0 HA ALA A 43 17.765 3.830 -3.387 1.00 54.32 H new ATOM 0 HB1 ALA A 43 16.947 6.154 -3.617 1.00 32.22 H new ATOM 0 HB2 ALA A 43 18.720 6.088 -3.486 1.00 32.22 H new ATOM 0 HB3 ALA A 43 17.955 6.356 -5.070 1.00 32.22 H new ATOM 649 N ARG A 44 15.624 3.333 -4.503 1.00 42.15 N ATOM 650 CA ARG A 44 14.394 2.916 -5.166 1.00 44.22 C ATOM 651 C ARG A 44 13.289 3.948 -4.960 1.00 20.41 C ATOM 652 O ARG A 44 13.036 4.386 -3.838 1.00 2.23 O ATOM 653 CB ARG A 44 13.941 1.554 -4.637 1.00 2.31 C ATOM 654 CG ARG A 44 12.902 0.875 -5.514 1.00 12.32 C ATOM 655 CD ARG A 44 11.781 0.270 -4.683 1.00 24.13 C ATOM 656 NE ARG A 44 10.850 -0.504 -5.500 1.00 4.33 N ATOM 657 CZ ARG A 44 9.710 -1.005 -5.039 1.00 30.21 C ATOM 658 NH1 ARG A 44 9.361 -0.815 -3.774 1.00 4.10 N ATOM 659 NH2 ARG A 44 8.915 -1.698 -5.844 1.00 62.53 N ATOM 0 H ARG A 44 15.667 3.103 -3.510 1.00 42.15 H new ATOM 0 HA ARG A 44 14.596 2.834 -6.234 1.00 44.22 H new ATOM 0 HB2 ARG A 44 14.810 0.902 -4.546 1.00 2.31 H new ATOM 0 HB3 ARG A 44 13.531 1.681 -3.635 1.00 2.31 H new ATOM 0 HG2 ARG A 44 12.487 1.599 -6.215 1.00 12.32 H new ATOM 0 HG3 ARG A 44 13.379 0.095 -6.107 1.00 12.32 H new ATOM 0 HD2 ARG A 44 12.207 -0.372 -3.912 1.00 24.13 H new ATOM 0 HD3 ARG A 44 11.239 1.065 -4.171 1.00 24.13 H new ATOM 0 HE ARG A 44 11.089 -0.669 -6.478 1.00 4.33 H new ATOM 0 HH11 ARG A 44 9.969 -0.283 -3.152 1.00 4.10 H new ATOM 0 HH12 ARG A 44 8.485 -1.201 -3.423 1.00 4.10 H new ATOM 0 HH21 ARG A 44 9.179 -1.846 -6.818 1.00 62.53 H new ATOM 0 HH22 ARG A 44 8.039 -2.082 -5.489 1.00 62.53 H new ATOM 673 N VAL A 45 12.634 4.331 -6.051 1.00 15.31 N ATOM 674 CA VAL A 45 11.555 5.310 -5.990 1.00 0.50 C ATOM 675 C VAL A 45 10.576 5.122 -7.144 1.00 3.53 C ATOM 676 O VAL A 45 10.670 5.776 -8.183 1.00 11.33 O ATOM 677 CB VAL A 45 12.101 6.750 -6.024 1.00 45.12 C ATOM 678 CG1 VAL A 45 13.094 6.918 -7.164 1.00 61.35 C ATOM 679 CG2 VAL A 45 10.961 7.750 -6.148 1.00 23.52 C ATOM 0 H VAL A 45 12.831 3.979 -6.988 1.00 15.31 H new ATOM 0 HA VAL A 45 11.035 5.149 -5.046 1.00 0.50 H new ATOM 0 HB VAL A 45 12.623 6.944 -5.087 1.00 45.12 H new ATOM 0 HG11 VAL A 45 13.469 7.941 -7.172 1.00 61.35 H new ATOM 0 HG12 VAL A 45 13.926 6.228 -7.026 1.00 61.35 H new ATOM 0 HG13 VAL A 45 12.599 6.705 -8.112 1.00 61.35 H new ATOM 0 HG21 VAL A 45 11.365 8.762 -6.170 1.00 23.52 H new ATOM 0 HG22 VAL A 45 10.408 7.560 -7.068 1.00 23.52 H new ATOM 0 HG23 VAL A 45 10.291 7.646 -5.294 1.00 23.52 H new ATOM 689 N PRO A 46 9.613 4.208 -6.959 1.00 71.31 N ATOM 690 CA PRO A 46 8.597 3.913 -7.974 1.00 34.35 C ATOM 691 C PRO A 46 7.609 5.060 -8.155 1.00 75.20 C ATOM 692 O PRO A 46 7.619 6.027 -7.393 1.00 75.42 O ATOM 693 CB PRO A 46 7.885 2.678 -7.415 1.00 25.25 C ATOM 694 CG PRO A 46 8.092 2.756 -5.941 1.00 43.03 C ATOM 695 CD PRO A 46 9.441 3.391 -5.746 1.00 1.44 C ATOM 0 HA PRO A 46 9.038 3.759 -8.959 1.00 34.35 H new ATOM 0 HB2 PRO A 46 6.824 2.685 -7.667 1.00 25.25 H new ATOM 0 HB3 PRO A 46 8.304 1.760 -7.826 1.00 25.25 H new ATOM 0 HG2 PRO A 46 7.309 3.349 -5.468 1.00 43.03 H new ATOM 0 HG3 PRO A 46 8.058 1.765 -5.489 1.00 43.03 H new ATOM 0 HD2 PRO A 46 9.471 4.001 -4.843 1.00 1.44 H new ATOM 0 HD3 PRO A 46 10.227 2.642 -5.651 1.00 1.44 H new ATOM 703 N SER A 47 6.756 4.946 -9.168 1.00 70.34 N ATOM 704 CA SER A 47 5.763 5.975 -9.452 1.00 1.53 C ATOM 705 C SER A 47 4.953 6.308 -8.202 1.00 61.42 C ATOM 706 O SER A 47 4.437 5.417 -7.528 1.00 64.02 O ATOM 707 CB SER A 47 4.828 5.518 -10.573 1.00 21.43 C ATOM 708 OG SER A 47 4.688 6.522 -11.562 1.00 43.24 O ATOM 0 H SER A 47 6.733 4.151 -9.806 1.00 70.34 H new ATOM 0 HA SER A 47 6.290 6.874 -9.773 1.00 1.53 H new ATOM 0 HB2 SER A 47 5.218 4.607 -11.028 1.00 21.43 H new ATOM 0 HB3 SER A 47 3.850 5.273 -10.158 1.00 21.43 H new ATOM 0 HG SER A 47 4.087 6.204 -12.268 1.00 43.24 H new ATOM 714 N GLY A 48 4.846 7.598 -7.899 1.00 61.14 N ATOM 715 CA GLY A 48 4.098 8.026 -6.732 1.00 2.22 C ATOM 716 C GLY A 48 4.996 8.543 -5.626 1.00 3.25 C ATOM 717 O GLY A 48 4.518 8.938 -4.561 1.00 24.41 O ATOM 0 H GLY A 48 5.264 8.354 -8.441 1.00 61.14 H new ATOM 0 HA2 GLY A 48 3.396 8.808 -7.021 1.00 2.22 H new ATOM 0 HA3 GLY A 48 3.508 7.190 -6.356 1.00 2.22 H new ATOM 721 N LEU A 49 6.301 8.541 -5.875 1.00 70.42 N ATOM 722 CA LEU A 49 7.269 9.012 -4.891 1.00 23.40 C ATOM 723 C LEU A 49 8.246 10.001 -5.518 1.00 51.23 C ATOM 724 O LEU A 49 8.787 9.756 -6.597 1.00 30.35 O ATOM 725 CB LEU A 49 8.036 7.830 -4.294 1.00 73.24 C ATOM 726 CG LEU A 49 7.648 7.428 -2.871 1.00 2.53 C ATOM 727 CD1 LEU A 49 8.263 8.385 -1.861 1.00 31.24 C ATOM 728 CD2 LEU A 49 6.134 7.391 -2.720 1.00 44.53 C ATOM 0 H LEU A 49 6.713 8.218 -6.750 1.00 70.42 H new ATOM 0 HA LEU A 49 6.723 9.522 -4.097 1.00 23.40 H new ATOM 0 HB2 LEU A 49 7.897 6.967 -4.945 1.00 73.24 H new ATOM 0 HB3 LEU A 49 9.099 8.070 -4.305 1.00 73.24 H new ATOM 0 HG LEU A 49 8.036 6.428 -2.678 1.00 2.53 H new ATOM 0 HD11 LEU A 49 7.977 8.084 -0.853 1.00 31.24 H new ATOM 0 HD12 LEU A 49 9.349 8.361 -1.952 1.00 31.24 H new ATOM 0 HD13 LEU A 49 7.905 9.396 -2.053 1.00 31.24 H new ATOM 0 HD21 LEU A 49 5.877 7.103 -1.701 1.00 44.53 H new ATOM 0 HD22 LEU A 49 5.723 8.378 -2.933 1.00 44.53 H new ATOM 0 HD23 LEU A 49 5.716 6.666 -3.418 1.00 44.53 H new ATOM 740 N ARG A 50 8.468 11.119 -4.835 1.00 2.21 N ATOM 741 CA ARG A 50 9.381 12.145 -5.325 1.00 14.44 C ATOM 742 C ARG A 50 10.454 12.459 -4.286 1.00 52.13 C ATOM 743 O ARG A 50 10.156 12.642 -3.105 1.00 73.22 O ATOM 744 CB ARG A 50 8.609 13.418 -5.677 1.00 13.45 C ATOM 745 CG ARG A 50 9.476 14.509 -6.284 1.00 24.40 C ATOM 746 CD ARG A 50 8.954 15.894 -5.937 1.00 42.13 C ATOM 747 NE ARG A 50 9.595 16.936 -6.735 1.00 61.02 N ATOM 748 CZ ARG A 50 9.196 18.203 -6.747 1.00 74.31 C ATOM 749 NH1 ARG A 50 8.163 18.583 -6.008 1.00 34.52 N ATOM 750 NH2 ARG A 50 9.830 19.093 -7.499 1.00 62.23 N ATOM 0 H ARG A 50 8.028 11.338 -3.941 1.00 2.21 H new ATOM 0 HA ARG A 50 9.869 11.764 -6.222 1.00 14.44 H new ATOM 0 HB2 ARG A 50 7.812 13.167 -6.377 1.00 13.45 H new ATOM 0 HB3 ARG A 50 8.132 13.804 -4.776 1.00 13.45 H new ATOM 0 HG2 ARG A 50 10.499 14.404 -5.924 1.00 24.40 H new ATOM 0 HG3 ARG A 50 9.505 14.391 -7.367 1.00 24.40 H new ATOM 0 HD2 ARG A 50 7.876 15.926 -6.097 1.00 42.13 H new ATOM 0 HD3 ARG A 50 9.125 16.091 -4.879 1.00 42.13 H new ATOM 0 HE ARG A 50 10.393 16.677 -7.315 1.00 61.02 H new ATOM 0 HH11 ARG A 50 7.673 17.902 -5.428 1.00 34.52 H new ATOM 0 HH12 ARG A 50 7.859 19.556 -6.019 1.00 34.52 H new ATOM 0 HH21 ARG A 50 10.625 18.805 -8.069 1.00 62.23 H new ATOM 0 HH22 ARG A 50 9.522 20.065 -7.507 1.00 62.23 H new ATOM 764 N LEU A 51 11.703 12.520 -4.734 1.00 60.51 N ATOM 765 CA LEU A 51 12.822 12.811 -3.844 1.00 74.31 C ATOM 766 C LEU A 51 13.806 13.771 -4.503 1.00 42.23 C ATOM 767 O LEU A 51 13.882 13.853 -5.729 1.00 32.33 O ATOM 768 CB LEU A 51 13.538 11.517 -3.453 1.00 71.11 C ATOM 769 CG LEU A 51 14.166 10.724 -4.600 1.00 50.41 C ATOM 770 CD1 LEU A 51 15.582 11.209 -4.871 1.00 73.03 C ATOM 771 CD2 LEU A 51 14.161 9.236 -4.285 1.00 61.41 C ATOM 0 H LEU A 51 11.967 12.372 -5.708 1.00 60.51 H new ATOM 0 HA LEU A 51 12.426 13.285 -2.946 1.00 74.31 H new ATOM 0 HB2 LEU A 51 14.321 11.761 -2.735 1.00 71.11 H new ATOM 0 HB3 LEU A 51 12.825 10.872 -2.939 1.00 71.11 H new ATOM 0 HG LEU A 51 13.570 10.886 -5.498 1.00 50.41 H new ATOM 0 HD11 LEU A 51 16.013 10.633 -5.690 1.00 73.03 H new ATOM 0 HD12 LEU A 51 15.559 12.265 -5.142 1.00 73.03 H new ATOM 0 HD13 LEU A 51 16.189 11.077 -3.976 1.00 73.03 H new ATOM 0 HD21 LEU A 51 14.612 8.687 -5.112 1.00 61.41 H new ATOM 0 HD22 LEU A 51 14.733 9.055 -3.375 1.00 61.41 H new ATOM 0 HD23 LEU A 51 13.135 8.898 -4.142 1.00 61.41 H new ATOM 783 N GLU A 52 14.560 14.495 -3.681 1.00 72.31 N ATOM 784 CA GLU A 52 15.541 15.448 -4.185 1.00 52.44 C ATOM 785 C GLU A 52 16.858 15.328 -3.424 1.00 52.30 C ATOM 786 O GLU A 52 16.895 15.462 -2.201 1.00 2.42 O ATOM 787 CB GLU A 52 15.002 16.876 -4.072 1.00 40.12 C ATOM 788 CG GLU A 52 14.132 17.293 -5.246 1.00 35.12 C ATOM 789 CD GLU A 52 12.676 17.467 -4.859 1.00 54.03 C ATOM 790 OE1 GLU A 52 11.923 16.473 -4.923 1.00 34.43 O ATOM 791 OE2 GLU A 52 12.289 18.597 -4.494 1.00 21.30 O ATOM 0 H GLU A 52 14.510 14.439 -2.664 1.00 72.31 H new ATOM 0 HA GLU A 52 15.726 15.219 -5.234 1.00 52.44 H new ATOM 0 HB2 GLU A 52 14.424 16.965 -3.152 1.00 40.12 H new ATOM 0 HB3 GLU A 52 15.841 17.567 -3.989 1.00 40.12 H new ATOM 0 HG2 GLU A 52 14.509 18.229 -5.659 1.00 35.12 H new ATOM 0 HG3 GLU A 52 14.208 16.544 -6.034 1.00 35.12 H new ATOM 798 N VAL A 53 17.937 15.074 -4.157 1.00 22.21 N ATOM 799 CA VAL A 53 19.257 14.936 -3.552 1.00 73.22 C ATOM 800 C VAL A 53 19.968 16.282 -3.471 1.00 72.14 C ATOM 801 O VAL A 53 19.883 17.097 -4.390 1.00 53.21 O ATOM 802 CB VAL A 53 20.136 13.950 -4.343 1.00 63.44 C ATOM 803 CG1 VAL A 53 21.425 13.659 -3.589 1.00 12.21 C ATOM 804 CG2 VAL A 53 19.373 12.664 -4.626 1.00 42.42 C ATOM 0 H VAL A 53 17.923 14.960 -5.170 1.00 22.21 H new ATOM 0 HA VAL A 53 19.105 14.548 -2.545 1.00 73.22 H new ATOM 0 HB VAL A 53 20.397 14.409 -5.297 1.00 63.44 H new ATOM 0 HG11 VAL A 53 22.033 12.960 -4.164 1.00 12.21 H new ATOM 0 HG12 VAL A 53 21.978 14.587 -3.443 1.00 12.21 H new ATOM 0 HG13 VAL A 53 21.188 13.221 -2.619 1.00 12.21 H new ATOM 0 HG21 VAL A 53 20.010 11.979 -5.186 1.00 42.42 H new ATOM 0 HG22 VAL A 53 19.080 12.200 -3.684 1.00 42.42 H new ATOM 0 HG23 VAL A 53 18.482 12.891 -5.211 1.00 42.42 H new ATOM 814 N PHE A 54 20.670 16.509 -2.366 1.00 71.42 N ATOM 815 CA PHE A 54 21.396 17.757 -2.164 1.00 64.25 C ATOM 816 C PHE A 54 22.838 17.485 -1.744 1.00 50.34 C ATOM 817 O PHE A 54 23.130 17.329 -0.559 1.00 62.33 O ATOM 818 CB PHE A 54 20.698 18.613 -1.106 1.00 55.14 C ATOM 819 CG PHE A 54 19.220 18.758 -1.333 1.00 12.20 C ATOM 820 CD1 PHE A 54 18.739 19.476 -2.416 1.00 52.00 C ATOM 821 CD2 PHE A 54 18.312 18.177 -0.462 1.00 52.25 C ATOM 822 CE1 PHE A 54 17.380 19.611 -2.628 1.00 14.23 C ATOM 823 CE2 PHE A 54 16.952 18.309 -0.669 1.00 74.43 C ATOM 824 CZ PHE A 54 16.485 19.028 -1.752 1.00 71.54 C ATOM 0 H PHE A 54 20.751 15.845 -1.596 1.00 71.42 H new ATOM 0 HA PHE A 54 21.407 18.299 -3.110 1.00 64.25 H new ATOM 0 HB2 PHE A 54 20.865 18.171 -0.124 1.00 55.14 H new ATOM 0 HB3 PHE A 54 21.154 19.603 -1.092 1.00 55.14 H new ATOM 0 HD1 PHE A 54 19.434 19.936 -3.103 1.00 52.00 H new ATOM 0 HD2 PHE A 54 18.671 17.615 0.388 1.00 52.25 H new ATOM 0 HE1 PHE A 54 17.018 20.172 -3.477 1.00 14.23 H new ATOM 0 HE2 PHE A 54 16.254 17.850 0.016 1.00 74.43 H new ATOM 0 HZ PHE A 54 15.422 19.134 -1.914 1.00 71.54 H new ATOM 834 N GLN A 55 23.733 17.431 -2.725 1.00 25.20 N ATOM 835 CA GLN A 55 25.144 17.177 -2.457 1.00 62.13 C ATOM 836 C GLN A 55 25.677 18.132 -1.394 1.00 31.30 C ATOM 837 O GLN A 55 26.344 17.713 -0.447 1.00 15.21 O ATOM 838 CB GLN A 55 25.962 17.318 -3.742 1.00 62.21 C ATOM 839 CG GLN A 55 25.717 18.625 -4.479 1.00 62.41 C ATOM 840 CD GLN A 55 26.314 18.630 -5.872 1.00 64.45 C ATOM 841 OE1 GLN A 55 25.700 18.148 -6.825 1.00 45.32 O ATOM 842 NE2 GLN A 55 27.518 19.175 -5.999 1.00 2.50 N ATOM 0 H GLN A 55 23.507 17.559 -3.711 1.00 25.20 H new ATOM 0 HA GLN A 55 25.239 16.157 -2.084 1.00 62.13 H new ATOM 0 HB2 GLN A 55 27.022 17.241 -3.499 1.00 62.21 H new ATOM 0 HB3 GLN A 55 25.726 16.486 -4.406 1.00 62.21 H new ATOM 0 HG2 GLN A 55 24.644 18.804 -4.547 1.00 62.41 H new ATOM 0 HG3 GLN A 55 26.141 19.448 -3.903 1.00 62.41 H new ATOM 0 HE21 GLN A 55 27.991 19.563 -5.183 1.00 2.50 H new ATOM 0 HE22 GLN A 55 27.970 19.206 -6.913 1.00 2.50 H new ATOM 851 N HIS A 56 25.379 19.417 -1.557 1.00 30.11 N ATOM 852 CA HIS A 56 25.828 20.432 -0.610 1.00 60.33 C ATOM 853 C HIS A 56 24.855 20.553 0.558 1.00 13.33 C ATOM 854 O HIS A 56 23.732 20.054 0.498 1.00 61.31 O ATOM 855 CB HIS A 56 25.974 21.783 -1.310 1.00 40.23 C ATOM 856 CG HIS A 56 27.279 21.949 -2.027 1.00 74.42 C ATOM 857 ND1 HIS A 56 28.027 20.884 -2.483 1.00 61.00 N ATOM 858 CD2 HIS A 56 27.966 23.063 -2.368 1.00 5.42 C ATOM 859 CE1 HIS A 56 29.120 21.337 -3.071 1.00 72.35 C ATOM 860 NE2 HIS A 56 29.107 22.656 -3.015 1.00 51.35 N ATOM 0 H HIS A 56 24.829 19.780 -2.335 1.00 30.11 H new ATOM 0 HA HIS A 56 26.799 20.127 -0.220 1.00 60.33 H new ATOM 0 HB2 HIS A 56 25.159 21.903 -2.024 1.00 40.23 H new ATOM 0 HB3 HIS A 56 25.871 22.578 -0.572 1.00 40.23 H new ATOM 0 HD2 HIS A 56 27.672 24.083 -2.169 1.00 5.42 H new ATOM 0 HE1 HIS A 56 29.893 20.731 -3.521 1.00 72.35 H new ATOM 0 HE2 HIS A 56 29.827 23.273 -3.391 1.00 51.35 H new ATOM 868 N ASN A 57 25.294 21.220 1.621 1.00 32.20 N ATOM 869 CA ASN A 57 24.462 21.406 2.804 1.00 34.42 C ATOM 870 C ASN A 57 23.928 22.833 2.875 1.00 14.00 C ATOM 871 O ASN A 57 24.450 23.735 2.222 1.00 62.02 O ATOM 872 CB ASN A 57 25.259 21.084 4.070 1.00 41.12 C ATOM 873 CG ASN A 57 26.138 22.239 4.508 1.00 2.43 C ATOM 874 OD1 ASN A 57 26.866 22.820 3.703 1.00 3.23 O ATOM 875 ND2 ASN A 57 26.074 22.578 5.791 1.00 70.22 N ATOM 0 H ASN A 57 26.221 21.640 1.687 1.00 32.20 H new ATOM 0 HA ASN A 57 23.615 20.723 2.733 1.00 34.42 H new ATOM 0 HB2 ASN A 57 24.570 20.830 4.875 1.00 41.12 H new ATOM 0 HB3 ASN A 57 25.879 20.206 3.892 1.00 41.12 H new ATOM 0 HD21 ASN A 57 26.643 23.348 6.144 1.00 70.22 H new ATOM 0 HD22 ASN A 57 25.456 22.069 6.423 1.00 70.22 H new ATOM 882 N ASN A 58 22.883 23.029 3.673 1.00 4.45 N ATOM 883 CA ASN A 58 22.278 24.347 3.830 1.00 2.12 C ATOM 884 C ASN A 58 21.694 24.838 2.509 1.00 21.00 C ATOM 885 O ASN A 58 21.429 26.028 2.339 1.00 13.23 O ATOM 886 CB ASN A 58 23.313 25.349 4.346 1.00 24.55 C ATOM 887 CG ASN A 58 22.777 26.201 5.480 1.00 4.41 C ATOM 888 OD1 ASN A 58 22.281 25.683 6.480 1.00 0.24 O ATOM 889 ND2 ASN A 58 22.875 27.517 5.328 1.00 64.01 N ATOM 0 H ASN A 58 22.438 22.292 4.221 1.00 4.45 H new ATOM 0 HA ASN A 58 21.470 24.264 4.556 1.00 2.12 H new ATOM 0 HB2 ASN A 58 24.198 24.811 4.686 1.00 24.55 H new ATOM 0 HB3 ASN A 58 23.629 25.996 3.527 1.00 24.55 H new ATOM 0 HD21 ASN A 58 22.531 28.142 6.058 1.00 64.01 H new ATOM 0 HD22 ASN A 58 23.294 27.903 4.482 1.00 64.01 H new ATOM 896 N PHE A 59 21.496 23.913 1.576 1.00 73.20 N ATOM 897 CA PHE A 59 20.943 24.251 0.269 1.00 23.24 C ATOM 898 C PHE A 59 21.717 25.402 -0.367 1.00 31.20 C ATOM 899 O PHE A 59 21.140 26.425 -0.735 1.00 15.22 O ATOM 900 CB PHE A 59 19.465 24.624 0.398 1.00 1.53 C ATOM 901 CG PHE A 59 18.552 23.435 0.485 1.00 14.43 C ATOM 902 CD1 PHE A 59 18.628 22.563 1.559 1.00 2.32 C ATOM 903 CD2 PHE A 59 17.616 23.190 -0.507 1.00 65.42 C ATOM 904 CE1 PHE A 59 17.789 21.468 1.643 1.00 52.44 C ATOM 905 CE2 PHE A 59 16.774 22.097 -0.429 1.00 22.40 C ATOM 906 CZ PHE A 59 16.861 21.234 0.647 1.00 43.35 C ATOM 0 H PHE A 59 21.710 22.923 1.700 1.00 73.20 H new ATOM 0 HA PHE A 59 21.034 23.376 -0.374 1.00 23.24 H new ATOM 0 HB2 PHE A 59 19.330 25.241 1.286 1.00 1.53 H new ATOM 0 HB3 PHE A 59 19.176 25.232 -0.459 1.00 1.53 H new ATOM 0 HD1 PHE A 59 19.352 22.741 2.340 1.00 2.32 H new ATOM 0 HD2 PHE A 59 17.544 23.861 -1.350 1.00 65.42 H new ATOM 0 HE1 PHE A 59 17.859 20.796 2.486 1.00 52.44 H new ATOM 0 HE2 PHE A 59 16.048 21.917 -1.208 1.00 22.40 H new ATOM 0 HZ PHE A 59 16.205 20.378 0.709 1.00 43.35 H new ATOM 916 N LYS A 60 23.028 25.227 -0.493 1.00 50.12 N ATOM 917 CA LYS A 60 23.883 26.249 -1.085 1.00 40.12 C ATOM 918 C LYS A 60 23.331 26.708 -2.431 1.00 73.21 C ATOM 919 O LYS A 60 22.862 27.837 -2.568 1.00 45.14 O ATOM 920 CB LYS A 60 25.306 25.713 -1.262 1.00 13.44 C ATOM 921 CG LYS A 60 26.294 26.269 -0.252 1.00 5.35 C ATOM 922 CD LYS A 60 27.045 25.158 0.464 1.00 51.43 C ATOM 923 CE LYS A 60 27.810 25.688 1.667 1.00 31.41 C ATOM 924 NZ LYS A 60 28.949 24.801 2.034 1.00 43.55 N ATOM 0 H LYS A 60 23.522 24.386 -0.193 1.00 50.12 H new ATOM 0 HA LYS A 60 23.904 27.105 -0.410 1.00 40.12 H new ATOM 0 HB2 LYS A 60 25.289 24.626 -1.181 1.00 13.44 H new ATOM 0 HB3 LYS A 60 25.653 25.952 -2.267 1.00 13.44 H new ATOM 0 HG2 LYS A 60 27.005 26.922 -0.758 1.00 5.35 H new ATOM 0 HG3 LYS A 60 25.764 26.880 0.478 1.00 5.35 H new ATOM 0 HD2 LYS A 60 26.341 24.392 0.788 1.00 51.43 H new ATOM 0 HD3 LYS A 60 27.739 24.681 -0.229 1.00 51.43 H new ATOM 0 HE2 LYS A 60 28.184 26.688 1.448 1.00 31.41 H new ATOM 0 HE3 LYS A 60 27.133 25.780 2.516 1.00 31.41 H new ATOM 0 HZ1 LYS A 60 29.657 25.347 2.566 1.00 43.55 H new ATOM 0 HZ2 LYS A 60 28.603 24.017 2.623 1.00 43.55 H new ATOM 0 HZ3 LYS A 60 29.384 24.419 1.170 1.00 43.55 H new ATOM 938 N GLY A 61 23.388 25.823 -3.422 1.00 33.10 N ATOM 939 CA GLY A 61 22.888 26.156 -4.743 1.00 65.23 C ATOM 940 C GLY A 61 22.673 24.929 -5.608 1.00 12.34 C ATOM 941 O GLY A 61 21.574 24.703 -6.114 1.00 52.23 O ATOM 0 H GLY A 61 23.771 24.882 -3.333 1.00 33.10 H new ATOM 0 HA2 GLY A 61 21.947 26.698 -4.646 1.00 65.23 H new ATOM 0 HA3 GLY A 61 23.592 26.826 -5.236 1.00 65.23 H new ATOM 945 N VAL A 62 23.725 24.135 -5.778 1.00 40.13 N ATOM 946 CA VAL A 62 23.646 22.925 -6.588 1.00 41.10 C ATOM 947 C VAL A 62 22.726 21.893 -5.946 1.00 13.31 C ATOM 948 O VAL A 62 23.003 21.392 -4.856 1.00 60.23 O ATOM 949 CB VAL A 62 25.037 22.297 -6.796 1.00 1.31 C ATOM 950 CG1 VAL A 62 25.737 22.094 -5.461 1.00 15.24 C ATOM 951 CG2 VAL A 62 24.920 20.982 -7.551 1.00 40.03 C ATOM 0 H VAL A 62 24.642 24.308 -5.366 1.00 40.13 H new ATOM 0 HA VAL A 62 23.239 23.218 -7.556 1.00 41.10 H new ATOM 0 HB VAL A 62 25.639 22.981 -7.394 1.00 1.31 H new ATOM 0 HG11 VAL A 62 26.718 21.649 -5.628 1.00 15.24 H new ATOM 0 HG12 VAL A 62 25.855 23.056 -4.962 1.00 15.24 H new ATOM 0 HG13 VAL A 62 25.140 21.431 -4.834 1.00 15.24 H new ATOM 0 HG21 VAL A 62 25.912 20.552 -7.689 1.00 40.03 H new ATOM 0 HG22 VAL A 62 24.301 20.289 -6.981 1.00 40.03 H new ATOM 0 HG23 VAL A 62 24.463 21.161 -8.524 1.00 40.03 H new ATOM 961 N ARG A 63 21.629 21.580 -6.629 1.00 4.12 N ATOM 962 CA ARG A 63 20.667 20.608 -6.125 1.00 31.03 C ATOM 963 C ARG A 63 20.289 19.604 -7.210 1.00 52.31 C ATOM 964 O ARG A 63 20.412 19.888 -8.402 1.00 20.32 O ATOM 965 CB ARG A 63 19.413 21.319 -5.613 1.00 34.51 C ATOM 966 CG ARG A 63 18.762 22.225 -6.645 1.00 3.31 C ATOM 967 CD ARG A 63 17.331 22.568 -6.262 1.00 41.31 C ATOM 968 NE ARG A 63 17.112 24.011 -6.200 1.00 21.14 N ATOM 969 CZ ARG A 63 15.941 24.564 -5.905 1.00 1.32 C ATOM 970 NH1 ARG A 63 14.889 23.800 -5.646 1.00 61.23 N ATOM 971 NH2 ARG A 63 15.821 25.885 -5.867 1.00 53.34 N ATOM 0 H ARG A 63 21.385 21.986 -7.532 1.00 4.12 H new ATOM 0 HA ARG A 63 21.132 20.067 -5.301 1.00 31.03 H new ATOM 0 HB2 ARG A 63 18.688 20.572 -5.290 1.00 34.51 H new ATOM 0 HB3 ARG A 63 19.674 21.911 -4.736 1.00 34.51 H new ATOM 0 HG2 ARG A 63 19.343 23.142 -6.744 1.00 3.31 H new ATOM 0 HG3 ARG A 63 18.772 21.735 -7.619 1.00 3.31 H new ATOM 0 HD2 ARG A 63 16.646 22.128 -6.987 1.00 41.31 H new ATOM 0 HD3 ARG A 63 17.098 22.124 -5.294 1.00 41.31 H new ATOM 0 HE ARG A 63 17.901 24.627 -6.394 1.00 21.14 H new ATOM 0 HH11 ARG A 63 14.977 22.784 -5.673 1.00 61.23 H new ATOM 0 HH12 ARG A 63 13.991 24.228 -5.420 1.00 61.23 H new ATOM 0 HH21 ARG A 63 16.628 26.476 -6.064 1.00 53.34 H new ATOM 0 HH22 ARG A 63 14.921 26.309 -5.640 1.00 53.34 H new ATOM 985 N ASP A 64 19.829 18.431 -6.789 1.00 52.23 N ATOM 986 CA ASP A 64 19.432 17.385 -7.725 1.00 1.31 C ATOM 987 C ASP A 64 18.036 16.865 -7.398 1.00 30.30 C ATOM 988 O ASP A 64 17.597 16.915 -6.249 1.00 15.30 O ATOM 989 CB ASP A 64 20.439 16.235 -7.694 1.00 23.33 C ATOM 990 CG ASP A 64 21.792 16.634 -8.250 1.00 11.02 C ATOM 991 OD1 ASP A 64 21.980 16.536 -9.481 1.00 2.23 O ATOM 992 OD2 ASP A 64 22.662 17.045 -7.454 1.00 41.13 O ATOM 0 H ASP A 64 19.722 18.180 -5.806 1.00 52.23 H new ATOM 0 HA ASP A 64 19.414 17.815 -8.727 1.00 1.31 H new ATOM 0 HB2 ASP A 64 20.559 15.889 -6.667 1.00 23.33 H new ATOM 0 HB3 ASP A 64 20.046 15.397 -8.269 1.00 23.33 H new ATOM 997 N PHE A 65 17.343 16.365 -8.416 1.00 12.41 N ATOM 998 CA PHE A 65 15.995 15.837 -8.237 1.00 43.43 C ATOM 999 C PHE A 65 15.842 14.490 -8.938 1.00 12.35 C ATOM 1000 O PHE A 65 16.248 14.327 -10.088 1.00 60.42 O ATOM 1001 CB PHE A 65 14.961 16.827 -8.778 1.00 61.23 C ATOM 1002 CG PHE A 65 15.294 17.355 -10.144 1.00 41.03 C ATOM 1003 CD1 PHE A 65 16.112 18.463 -10.292 1.00 44.34 C ATOM 1004 CD2 PHE A 65 14.789 16.743 -11.280 1.00 43.02 C ATOM 1005 CE1 PHE A 65 16.420 18.952 -11.548 1.00 74.23 C ATOM 1006 CE2 PHE A 65 15.093 17.227 -12.539 1.00 24.22 C ATOM 1007 CZ PHE A 65 15.911 18.332 -12.673 1.00 15.11 C ATOM 0 H PHE A 65 17.692 16.314 -9.373 1.00 12.41 H new ATOM 0 HA PHE A 65 15.826 15.693 -7.170 1.00 43.43 H new ATOM 0 HB2 PHE A 65 13.987 16.339 -8.813 1.00 61.23 H new ATOM 0 HB3 PHE A 65 14.874 17.664 -8.085 1.00 61.23 H new ATOM 0 HD1 PHE A 65 16.514 18.951 -9.416 1.00 44.34 H new ATOM 0 HD2 PHE A 65 14.150 15.878 -11.181 1.00 43.02 H new ATOM 0 HE1 PHE A 65 17.058 19.818 -11.650 1.00 74.23 H new ATOM 0 HE2 PHE A 65 14.691 16.742 -13.416 1.00 24.22 H new ATOM 0 HZ PHE A 65 16.152 18.711 -13.655 1.00 15.11 H new ATOM 1017 N TYR A 66 15.254 13.529 -8.235 1.00 35.13 N ATOM 1018 CA TYR A 66 15.049 12.195 -8.786 1.00 73.15 C ATOM 1019 C TYR A 66 13.619 11.719 -8.545 1.00 25.12 C ATOM 1020 O TYR A 66 13.053 11.933 -7.472 1.00 64.41 O ATOM 1021 CB TYR A 66 16.039 11.207 -8.168 1.00 33.33 C ATOM 1022 CG TYR A 66 17.177 10.833 -9.090 1.00 4.04 C ATOM 1023 CD1 TYR A 66 16.944 10.123 -10.261 1.00 62.10 C ATOM 1024 CD2 TYR A 66 18.486 11.189 -8.789 1.00 63.01 C ATOM 1025 CE1 TYR A 66 17.981 9.779 -11.106 1.00 64.42 C ATOM 1026 CE2 TYR A 66 19.529 10.850 -9.629 1.00 4.30 C ATOM 1027 CZ TYR A 66 19.272 10.145 -10.786 1.00 41.01 C ATOM 1028 OH TYR A 66 20.309 9.804 -11.625 1.00 14.54 O ATOM 0 H TYR A 66 14.911 13.649 -7.282 1.00 35.13 H new ATOM 0 HA TYR A 66 15.219 12.244 -9.861 1.00 73.15 H new ATOM 0 HB2 TYR A 66 16.449 11.640 -7.255 1.00 33.33 H new ATOM 0 HB3 TYR A 66 15.504 10.302 -7.879 1.00 33.33 H new ATOM 0 HD1 TYR A 66 15.935 9.835 -10.515 1.00 62.10 H new ATOM 0 HD2 TYR A 66 18.691 11.740 -7.883 1.00 63.01 H new ATOM 0 HE1 TYR A 66 17.782 9.226 -12.012 1.00 64.42 H new ATOM 0 HE2 TYR A 66 20.541 11.136 -9.381 1.00 4.30 H new ATOM 0 HH TYR A 66 21.153 10.138 -11.255 1.00 14.54 H new ATOM 1038 N THR A 67 13.040 11.071 -9.551 1.00 23.22 N ATOM 1039 CA THR A 67 11.678 10.564 -9.450 1.00 14.11 C ATOM 1040 C THR A 67 11.558 9.180 -10.078 1.00 14.31 C ATOM 1041 O THR A 67 10.477 8.772 -10.502 1.00 15.20 O ATOM 1042 CB THR A 67 10.673 11.513 -10.131 1.00 5.21 C ATOM 1043 OG1 THR A 67 11.100 11.801 -11.467 1.00 43.21 O ATOM 1044 CG2 THR A 67 10.536 12.809 -9.346 1.00 44.44 C ATOM 0 H THR A 67 13.494 10.885 -10.445 1.00 23.22 H new ATOM 0 HA THR A 67 11.443 10.499 -8.388 1.00 14.11 H new ATOM 0 HB THR A 67 9.702 11.019 -10.159 1.00 5.21 H new ATOM 0 HG1 THR A 67 10.455 12.403 -11.894 1.00 43.21 H new ATOM 0 HG21 THR A 67 9.822 13.463 -9.846 1.00 44.44 H new ATOM 0 HG22 THR A 67 10.183 12.589 -8.338 1.00 44.44 H new ATOM 0 HG23 THR A 67 11.505 13.305 -9.291 1.00 44.44 H new ATOM 1052 N SER A 68 12.675 8.462 -10.134 1.00 34.04 N ATOM 1053 CA SER A 68 12.695 7.124 -10.713 1.00 71.01 C ATOM 1054 C SER A 68 13.836 6.296 -10.129 1.00 14.21 C ATOM 1055 O SER A 68 14.766 6.836 -9.531 1.00 2.43 O ATOM 1056 CB SER A 68 12.836 7.206 -12.234 1.00 42.02 C ATOM 1057 OG SER A 68 13.519 8.386 -12.620 1.00 4.10 O ATOM 0 H SER A 68 13.578 8.784 -9.786 1.00 34.04 H new ATOM 0 HA SER A 68 11.752 6.635 -10.468 1.00 71.01 H new ATOM 0 HB2 SER A 68 13.377 6.333 -12.600 1.00 42.02 H new ATOM 0 HB3 SER A 68 11.849 7.186 -12.695 1.00 42.02 H new ATOM 0 HG SER A 68 13.598 8.414 -13.596 1.00 4.10 H new ATOM 1063 N ASP A 69 13.756 4.982 -10.307 1.00 12.21 N ATOM 1064 CA ASP A 69 14.781 4.078 -9.799 1.00 2.20 C ATOM 1065 C ASP A 69 16.171 4.533 -10.235 1.00 74.40 C ATOM 1066 O ASP A 69 16.521 4.448 -11.412 1.00 2.14 O ATOM 1067 CB ASP A 69 14.521 2.652 -10.287 1.00 0.13 C ATOM 1068 CG ASP A 69 14.496 2.553 -11.799 1.00 52.03 C ATOM 1069 OD1 ASP A 69 13.473 2.939 -12.403 1.00 14.44 O ATOM 1070 OD2 ASP A 69 15.500 2.090 -12.380 1.00 15.11 O ATOM 0 H ASP A 69 12.992 4.519 -10.799 1.00 12.21 H new ATOM 0 HA ASP A 69 14.738 4.094 -8.710 1.00 2.20 H new ATOM 0 HB2 ASP A 69 15.294 1.991 -9.895 1.00 0.13 H new ATOM 0 HB3 ASP A 69 13.569 2.302 -9.887 1.00 0.13 H new ATOM 1075 N ALA A 70 16.957 5.016 -9.279 1.00 31.44 N ATOM 1076 CA ALA A 70 18.308 5.483 -9.564 1.00 30.53 C ATOM 1077 C ALA A 70 19.350 4.564 -8.936 1.00 23.44 C ATOM 1078 O ALA A 70 19.329 4.317 -7.730 1.00 53.41 O ATOM 1079 CB ALA A 70 18.490 6.908 -9.065 1.00 53.51 C ATOM 0 H ALA A 70 16.681 5.094 -8.300 1.00 31.44 H new ATOM 0 HA ALA A 70 18.451 5.467 -10.644 1.00 30.53 H new ATOM 0 HB1 ALA A 70 19.504 7.244 -9.285 1.00 53.51 H new ATOM 0 HB2 ALA A 70 17.775 7.562 -9.564 1.00 53.51 H new ATOM 0 HB3 ALA A 70 18.322 6.941 -7.988 1.00 53.51 H new ATOM 1085 N ALA A 71 20.261 4.059 -9.761 1.00 64.40 N ATOM 1086 CA ALA A 71 21.313 3.168 -9.286 1.00 34.23 C ATOM 1087 C ALA A 71 22.635 3.912 -9.132 1.00 71.35 C ATOM 1088 O ALA A 71 23.706 3.309 -9.188 1.00 61.22 O ATOM 1089 CB ALA A 71 21.475 1.989 -10.234 1.00 54.23 C ATOM 0 H ALA A 71 20.292 4.252 -10.762 1.00 64.40 H new ATOM 0 HA ALA A 71 21.021 2.793 -8.305 1.00 34.23 H new ATOM 0 HB1 ALA A 71 22.264 1.332 -9.867 1.00 54.23 H new ATOM 0 HB2 ALA A 71 20.538 1.435 -10.289 1.00 54.23 H new ATOM 0 HB3 ALA A 71 21.740 2.354 -11.226 1.00 54.23 H new ATOM 1095 N GLU A 72 22.551 5.224 -8.940 1.00 43.41 N ATOM 1096 CA GLU A 72 23.743 6.050 -8.781 1.00 32.23 C ATOM 1097 C GLU A 72 23.366 7.487 -8.434 1.00 4.34 C ATOM 1098 O GLU A 72 22.907 8.245 -9.289 1.00 61.14 O ATOM 1099 CB GLU A 72 24.582 6.025 -10.060 1.00 1.52 C ATOM 1100 CG GLU A 72 25.946 5.380 -9.881 1.00 10.12 C ATOM 1101 CD GLU A 72 27.008 6.007 -10.763 1.00 23.21 C ATOM 1102 OE1 GLU A 72 27.326 7.196 -10.554 1.00 10.43 O ATOM 1103 OE2 GLU A 72 27.521 5.309 -11.662 1.00 25.41 O ATOM 0 H GLU A 72 21.671 5.738 -8.891 1.00 43.41 H new ATOM 0 HA GLU A 72 24.332 5.639 -7.961 1.00 32.23 H new ATOM 0 HB2 GLU A 72 24.034 5.487 -10.834 1.00 1.52 H new ATOM 0 HB3 GLU A 72 24.716 7.046 -10.416 1.00 1.52 H new ATOM 0 HG2 GLU A 72 26.249 5.464 -8.838 1.00 10.12 H new ATOM 0 HG3 GLU A 72 25.873 4.316 -10.107 1.00 10.12 H new ATOM 1110 N LEU A 73 23.564 7.856 -7.173 1.00 13.13 N ATOM 1111 CA LEU A 73 23.245 9.203 -6.711 1.00 31.44 C ATOM 1112 C LEU A 73 23.888 10.253 -7.610 1.00 4.54 C ATOM 1113 O LEU A 73 24.748 9.939 -8.432 1.00 65.40 O ATOM 1114 CB LEU A 73 23.715 9.392 -5.267 1.00 43.54 C ATOM 1115 CG LEU A 73 22.744 8.934 -4.179 1.00 51.21 C ATOM 1116 CD1 LEU A 73 23.340 9.166 -2.799 1.00 50.24 C ATOM 1117 CD2 LEU A 73 21.411 9.657 -4.315 1.00 24.42 C ATOM 0 H LEU A 73 23.944 7.242 -6.452 1.00 13.13 H new ATOM 0 HA LEU A 73 22.163 9.329 -6.754 1.00 31.44 H new ATOM 0 HB2 LEU A 73 24.654 8.853 -5.138 1.00 43.54 H new ATOM 0 HB3 LEU A 73 23.931 10.449 -5.112 1.00 43.54 H new ATOM 0 HG LEU A 73 22.569 7.865 -4.301 1.00 51.21 H new ATOM 0 HD11 LEU A 73 22.634 8.834 -2.037 1.00 50.24 H new ATOM 0 HD12 LEU A 73 24.268 8.603 -2.704 1.00 50.24 H new ATOM 0 HD13 LEU A 73 23.545 10.228 -2.665 1.00 50.24 H new ATOM 0 HD21 LEU A 73 20.732 9.319 -3.532 1.00 24.42 H new ATOM 0 HD22 LEU A 73 21.568 10.731 -4.219 1.00 24.42 H new ATOM 0 HD23 LEU A 73 20.977 9.439 -5.291 1.00 24.42 H new ATOM 1129 N SER A 74 23.467 11.503 -7.445 1.00 42.44 N ATOM 1130 CA SER A 74 24.001 12.601 -8.243 1.00 42.02 C ATOM 1131 C SER A 74 25.526 12.613 -8.199 1.00 61.21 C ATOM 1132 O SER A 74 26.189 12.342 -9.201 1.00 1.24 O ATOM 1133 CB SER A 74 23.455 13.938 -7.740 1.00 13.43 C ATOM 1134 OG SER A 74 22.071 13.847 -7.450 1.00 55.23 O ATOM 0 H SER A 74 22.758 11.781 -6.766 1.00 42.44 H new ATOM 0 HA SER A 74 23.685 12.453 -9.276 1.00 42.02 H new ATOM 0 HB2 SER A 74 23.998 14.243 -6.845 1.00 13.43 H new ATOM 0 HB3 SER A 74 23.622 14.709 -8.492 1.00 13.43 H new ATOM 0 HG SER A 74 21.567 13.754 -8.285 1.00 55.23 H new ATOM 1140 N ARG A 75 26.076 12.929 -7.031 1.00 34.41 N ATOM 1141 CA ARG A 75 27.522 12.977 -6.855 1.00 41.33 C ATOM 1142 C ARG A 75 28.023 11.736 -6.122 1.00 12.41 C ATOM 1143 O ARG A 75 27.540 11.406 -5.039 1.00 11.24 O ATOM 1144 CB ARG A 75 27.921 14.236 -6.082 1.00 62.50 C ATOM 1145 CG ARG A 75 29.339 14.702 -6.369 1.00 10.44 C ATOM 1146 CD ARG A 75 29.350 16.046 -7.081 1.00 32.20 C ATOM 1147 NE ARG A 75 30.704 16.473 -7.424 1.00 32.32 N ATOM 1148 CZ ARG A 75 31.405 15.957 -8.427 1.00 21.31 C ATOM 1149 NH1 ARG A 75 30.883 15.000 -9.182 1.00 50.33 N ATOM 1150 NH2 ARG A 75 32.631 16.398 -8.677 1.00 25.25 N ATOM 0 H ARG A 75 25.541 13.156 -6.192 1.00 34.41 H new ATOM 0 HA ARG A 75 27.982 13.004 -7.843 1.00 41.33 H new ATOM 0 HB2 ARG A 75 27.227 15.039 -6.329 1.00 62.50 H new ATOM 0 HB3 ARG A 75 27.820 14.044 -5.014 1.00 62.50 H new ATOM 0 HG2 ARG A 75 29.894 14.780 -5.434 1.00 10.44 H new ATOM 0 HG3 ARG A 75 29.850 13.960 -6.982 1.00 10.44 H new ATOM 0 HD2 ARG A 75 28.750 15.980 -7.989 1.00 32.20 H new ATOM 0 HD3 ARG A 75 28.883 16.797 -6.444 1.00 32.20 H new ATOM 0 HE ARG A 75 31.135 17.208 -6.863 1.00 32.32 H new ATOM 0 HH11 ARG A 75 29.941 14.658 -8.993 1.00 50.33 H new ATOM 0 HH12 ARG A 75 31.424 14.606 -9.952 1.00 50.33 H new ATOM 0 HH21 ARG A 75 33.036 17.134 -8.099 1.00 25.25 H new ATOM 0 HH22 ARG A 75 33.169 16.001 -9.448 1.00 25.25 H new ATOM 1164 N ASP A 76 28.993 11.053 -6.720 1.00 15.30 N ATOM 1165 CA ASP A 76 29.559 9.849 -6.124 1.00 3.11 C ATOM 1166 C ASP A 76 30.029 10.118 -4.698 1.00 11.14 C ATOM 1167 O ASP A 76 30.967 10.883 -4.476 1.00 74.14 O ATOM 1168 CB ASP A 76 30.726 9.336 -6.970 1.00 33.02 C ATOM 1169 CG ASP A 76 30.261 8.560 -8.186 1.00 60.42 C ATOM 1170 OD1 ASP A 76 29.775 9.195 -9.146 1.00 65.40 O ATOM 1171 OD2 ASP A 76 30.384 7.317 -8.179 1.00 13.01 O ATOM 0 H ASP A 76 29.404 11.313 -7.617 1.00 15.30 H new ATOM 0 HA ASP A 76 28.780 9.088 -6.093 1.00 3.11 H new ATOM 0 HB2 ASP A 76 31.336 10.180 -7.292 1.00 33.02 H new ATOM 0 HB3 ASP A 76 31.363 8.698 -6.357 1.00 33.02 H new ATOM 1176 N ASN A 77 29.369 9.484 -3.733 1.00 41.44 N ATOM 1177 CA ASN A 77 29.718 9.657 -2.328 1.00 20.31 C ATOM 1178 C ASN A 77 29.773 11.136 -1.958 1.00 64.15 C ATOM 1179 O ASN A 77 30.826 11.654 -1.584 1.00 74.11 O ATOM 1180 CB ASN A 77 31.065 8.995 -2.030 1.00 71.53 C ATOM 1181 CG ASN A 77 31.270 7.718 -2.824 1.00 15.43 C ATOM 1182 OD1 ASN A 77 31.538 7.757 -4.025 1.00 14.24 O ATOM 1183 ND2 ASN A 77 31.143 6.579 -2.154 1.00 23.23 N ATOM 0 H ASN A 77 28.590 8.846 -3.899 1.00 41.44 H new ATOM 0 HA ASN A 77 28.945 9.179 -1.727 1.00 20.31 H new ATOM 0 HB2 ASN A 77 31.869 9.695 -2.258 1.00 71.53 H new ATOM 0 HB3 ASN A 77 31.129 8.772 -0.965 1.00 71.53 H new ATOM 0 HD21 ASN A 77 31.268 5.688 -2.634 1.00 23.23 H new ATOM 0 HD22 ASN A 77 30.920 6.595 -1.159 1.00 23.23 H new ATOM 1190 N ASP A 78 28.634 11.810 -2.066 1.00 34.21 N ATOM 1191 CA ASP A 78 28.551 13.229 -1.742 1.00 0.23 C ATOM 1192 C ASP A 78 27.099 13.694 -1.701 1.00 35.43 C ATOM 1193 O ASP A 78 26.630 14.378 -2.609 1.00 53.34 O ATOM 1194 CB ASP A 78 29.335 14.054 -2.764 1.00 14.10 C ATOM 1195 CG ASP A 78 30.746 14.358 -2.303 1.00 25.21 C ATOM 1196 OD1 ASP A 78 30.899 15.005 -1.246 1.00 34.00 O ATOM 1197 OD2 ASP A 78 31.699 13.949 -2.999 1.00 43.24 O ATOM 0 H ASP A 78 27.755 11.396 -2.376 1.00 34.21 H new ATOM 0 HA ASP A 78 28.988 13.377 -0.755 1.00 0.23 H new ATOM 0 HB2 ASP A 78 29.374 13.514 -3.710 1.00 14.10 H new ATOM 0 HB3 ASP A 78 28.808 14.989 -2.952 1.00 14.10 H new ATOM 1202 N ALA A 79 26.391 13.315 -0.641 1.00 4.31 N ATOM 1203 CA ALA A 79 24.993 13.694 -0.481 1.00 72.31 C ATOM 1204 C ALA A 79 24.740 14.293 0.898 1.00 23.54 C ATOM 1205 O ALA A 79 24.316 13.595 1.820 1.00 3.40 O ATOM 1206 CB ALA A 79 24.091 12.490 -0.709 1.00 70.31 C ATOM 0 H ALA A 79 26.763 12.746 0.119 1.00 4.31 H new ATOM 0 HA ALA A 79 24.761 14.455 -1.226 1.00 72.31 H new ATOM 0 HB1 ALA A 79 23.050 12.787 -0.586 1.00 70.31 H new ATOM 0 HB2 ALA A 79 24.243 12.108 -1.718 1.00 70.31 H new ATOM 0 HB3 ALA A 79 24.334 11.711 0.014 1.00 70.31 H new ATOM 1212 N SER A 80 25.004 15.588 1.033 1.00 3.33 N ATOM 1213 CA SER A 80 24.810 16.280 2.302 1.00 32.13 C ATOM 1214 C SER A 80 23.407 16.031 2.847 1.00 33.22 C ATOM 1215 O SER A 80 23.230 15.320 3.836 1.00 22.25 O ATOM 1216 CB SER A 80 25.043 17.782 2.130 1.00 51.04 C ATOM 1217 OG SER A 80 24.313 18.525 3.091 1.00 43.15 O ATOM 0 H SER A 80 25.353 16.180 0.279 1.00 3.33 H new ATOM 0 HA SER A 80 25.534 15.887 3.016 1.00 32.13 H new ATOM 0 HB2 SER A 80 26.106 18.002 2.227 1.00 51.04 H new ATOM 0 HB3 SER A 80 24.745 18.087 1.127 1.00 51.04 H new ATOM 0 HG SER A 80 24.704 18.384 3.979 1.00 43.15 H new ATOM 1223 N SER A 81 22.411 16.622 2.194 1.00 65.10 N ATOM 1224 CA SER A 81 21.024 16.468 2.614 1.00 14.21 C ATOM 1225 C SER A 81 20.179 15.874 1.491 1.00 33.24 C ATOM 1226 O SER A 81 20.553 15.930 0.320 1.00 4.41 O ATOM 1227 CB SER A 81 20.446 17.819 3.042 1.00 33.53 C ATOM 1228 OG SER A 81 19.031 17.818 2.957 1.00 42.11 O ATOM 0 H SER A 81 22.540 17.212 1.372 1.00 65.10 H new ATOM 0 HA SER A 81 21.001 15.785 3.463 1.00 14.21 H new ATOM 0 HB2 SER A 81 20.752 18.042 4.064 1.00 33.53 H new ATOM 0 HB3 SER A 81 20.851 18.608 2.409 1.00 33.53 H new ATOM 0 HG SER A 81 18.656 17.368 3.743 1.00 42.11 H new ATOM 1234 N VAL A 82 19.036 15.303 1.858 1.00 14.11 N ATOM 1235 CA VAL A 82 18.136 14.698 0.883 1.00 13.52 C ATOM 1236 C VAL A 82 16.680 15.018 1.206 1.00 24.04 C ATOM 1237 O VAL A 82 16.359 15.442 2.317 1.00 62.22 O ATOM 1238 CB VAL A 82 18.314 13.170 0.827 1.00 30.44 C ATOM 1239 CG1 VAL A 82 19.597 12.808 0.094 1.00 32.14 C ATOM 1240 CG2 VAL A 82 18.308 12.581 2.230 1.00 12.42 C ATOM 0 H VAL A 82 18.711 15.247 2.823 1.00 14.11 H new ATOM 0 HA VAL A 82 18.391 15.122 -0.088 1.00 13.52 H new ATOM 0 HB VAL A 82 17.476 12.744 0.275 1.00 30.44 H new ATOM 0 HG11 VAL A 82 19.706 11.724 0.065 1.00 32.14 H new ATOM 0 HG12 VAL A 82 19.557 13.196 -0.924 1.00 32.14 H new ATOM 0 HG13 VAL A 82 20.449 13.244 0.615 1.00 32.14 H new ATOM 0 HG21 VAL A 82 18.435 11.500 2.171 1.00 12.42 H new ATOM 0 HG22 VAL A 82 19.125 13.011 2.809 1.00 12.42 H new ATOM 0 HG23 VAL A 82 17.360 12.809 2.716 1.00 12.42 H new ATOM 1250 N ARG A 83 15.804 14.811 0.229 1.00 11.41 N ATOM 1251 CA ARG A 83 14.382 15.078 0.409 1.00 11.12 C ATOM 1252 C ARG A 83 13.541 13.911 -0.100 1.00 41.11 C ATOM 1253 O ARG A 83 13.831 13.335 -1.149 1.00 34.43 O ATOM 1254 CB ARG A 83 13.986 16.363 -0.321 1.00 32.23 C ATOM 1255 CG ARG A 83 13.490 17.461 0.605 1.00 13.33 C ATOM 1256 CD ARG A 83 13.680 18.838 -0.011 1.00 45.13 C ATOM 1257 NE ARG A 83 12.706 19.803 0.492 1.00 64.02 N ATOM 1258 CZ ARG A 83 12.425 20.949 -0.117 1.00 43.45 C ATOM 1259 NH1 ARG A 83 13.041 21.272 -1.247 1.00 12.14 N ATOM 1260 NH2 ARG A 83 11.526 21.776 0.402 1.00 25.54 N ATOM 0 H ARG A 83 16.054 14.459 -0.695 1.00 11.41 H new ATOM 0 HA ARG A 83 14.193 15.201 1.475 1.00 11.12 H new ATOM 0 HB2 ARG A 83 14.845 16.732 -0.881 1.00 32.23 H new ATOM 0 HB3 ARG A 83 13.207 16.133 -1.048 1.00 32.23 H new ATOM 0 HG2 ARG A 83 12.434 17.303 0.826 1.00 13.33 H new ATOM 0 HG3 ARG A 83 14.025 17.408 1.553 1.00 13.33 H new ATOM 0 HD2 ARG A 83 14.687 19.195 0.203 1.00 45.13 H new ATOM 0 HD3 ARG A 83 13.591 18.765 -1.095 1.00 45.13 H new ATOM 0 HE ARG A 83 12.215 19.585 1.359 1.00 64.02 H new ATOM 0 HH11 ARG A 83 13.732 20.639 -1.650 1.00 12.14 H new ATOM 0 HH12 ARG A 83 12.823 22.153 -1.713 1.00 12.14 H new ATOM 0 HH21 ARG A 83 11.050 21.532 1.270 1.00 25.54 H new ATOM 0 HH22 ARG A 83 11.312 22.656 -0.067 1.00 25.54 H new ATOM 1274 N VAL A 84 12.499 13.568 0.650 1.00 73.41 N ATOM 1275 CA VAL A 84 11.615 12.470 0.275 1.00 44.14 C ATOM 1276 C VAL A 84 10.152 12.854 0.462 1.00 71.11 C ATOM 1277 O VAL A 84 9.786 13.481 1.456 1.00 43.10 O ATOM 1278 CB VAL A 84 11.912 11.204 1.099 1.00 22.44 C ATOM 1279 CG1 VAL A 84 13.394 10.866 1.045 1.00 63.21 C ATOM 1280 CG2 VAL A 84 11.451 11.385 2.538 1.00 72.44 C ATOM 0 H VAL A 84 12.246 14.034 1.521 1.00 73.41 H new ATOM 0 HA VAL A 84 11.800 12.260 -0.778 1.00 44.14 H new ATOM 0 HB VAL A 84 11.358 10.372 0.665 1.00 22.44 H new ATOM 0 HG11 VAL A 84 13.584 9.968 1.633 1.00 63.21 H new ATOM 0 HG12 VAL A 84 13.690 10.691 0.011 1.00 63.21 H new ATOM 0 HG13 VAL A 84 13.972 11.696 1.452 1.00 63.21 H new ATOM 0 HG21 VAL A 84 11.669 10.481 3.106 1.00 72.44 H new ATOM 0 HG22 VAL A 84 11.976 12.229 2.985 1.00 72.44 H new ATOM 0 HG23 VAL A 84 10.378 11.575 2.555 1.00 72.44 H new ATOM 1290 N SER A 85 9.318 12.472 -0.500 1.00 51.42 N ATOM 1291 CA SER A 85 7.894 12.779 -0.443 1.00 54.44 C ATOM 1292 C SER A 85 7.106 11.882 -1.393 1.00 61.12 C ATOM 1293 O SER A 85 7.683 11.176 -2.221 1.00 54.32 O ATOM 1294 CB SER A 85 7.653 14.249 -0.795 1.00 35.24 C ATOM 1295 OG SER A 85 8.675 15.074 -0.264 1.00 14.34 O ATOM 0 H SER A 85 9.604 11.949 -1.328 1.00 51.42 H new ATOM 0 HA SER A 85 7.548 12.594 0.574 1.00 54.44 H new ATOM 0 HB2 SER A 85 7.613 14.365 -1.878 1.00 35.24 H new ATOM 0 HB3 SER A 85 6.686 14.566 -0.405 1.00 35.24 H new ATOM 0 HG SER A 85 8.930 14.748 0.625 1.00 14.34 H new ATOM 1301 N LYS A 86 5.784 11.914 -1.267 1.00 73.02 N ATOM 1302 CA LYS A 86 4.914 11.106 -2.114 1.00 22.43 C ATOM 1303 C LYS A 86 4.230 11.967 -3.170 1.00 71.24 C ATOM 1304 O LYS A 86 3.457 12.868 -2.845 1.00 24.21 O ATOM 1305 CB LYS A 86 3.862 10.391 -1.263 1.00 73.44 C ATOM 1306 CG LYS A 86 4.448 9.380 -0.293 1.00 31.02 C ATOM 1307 CD LYS A 86 4.288 9.833 1.149 1.00 53.34 C ATOM 1308 CE LYS A 86 2.850 9.687 1.622 1.00 31.24 C ATOM 1309 NZ LYS A 86 2.645 10.291 2.968 1.00 30.00 N ATOM 0 H LYS A 86 5.291 12.491 -0.586 1.00 73.02 H new ATOM 0 HA LYS A 86 5.530 10.363 -2.621 1.00 22.43 H new ATOM 0 HB2 LYS A 86 3.295 11.134 -0.702 1.00 73.44 H new ATOM 0 HB3 LYS A 86 3.158 9.883 -1.922 1.00 73.44 H new ATOM 0 HG2 LYS A 86 3.957 8.417 -0.429 1.00 31.02 H new ATOM 0 HG3 LYS A 86 5.505 9.233 -0.514 1.00 31.02 H new ATOM 0 HD2 LYS A 86 4.945 9.246 1.791 1.00 53.34 H new ATOM 0 HD3 LYS A 86 4.599 10.874 1.241 1.00 53.34 H new ATOM 0 HE2 LYS A 86 2.182 10.163 0.905 1.00 31.24 H new ATOM 0 HE3 LYS A 86 2.583 8.631 1.654 1.00 31.24 H new ATOM 0 HZ1 LYS A 86 1.653 10.171 3.255 1.00 30.00 H new ATOM 0 HZ2 LYS A 86 3.264 9.820 3.658 1.00 30.00 H new ATOM 0 HZ3 LYS A 86 2.875 11.305 2.932 1.00 30.00 H new ATOM 1323 N MET A 87 4.518 11.683 -4.436 1.00 60.53 N ATOM 1324 CA MET A 87 3.928 12.430 -5.540 1.00 54.14 C ATOM 1325 C MET A 87 2.412 12.260 -5.563 1.00 71.33 C ATOM 1326 O MET A 87 1.668 13.222 -5.378 1.00 11.12 O ATOM 1327 CB MET A 87 4.524 11.971 -6.872 1.00 62.22 C ATOM 1328 CG MET A 87 4.856 13.115 -7.816 1.00 73.04 C ATOM 1329 SD MET A 87 3.702 13.232 -9.197 1.00 45.25 S ATOM 1330 CE MET A 87 3.077 14.896 -8.976 1.00 35.44 C ATOM 0 H MET A 87 5.156 10.941 -4.722 1.00 60.53 H new ATOM 0 HA MET A 87 4.156 13.486 -5.393 1.00 54.14 H new ATOM 0 HB2 MET A 87 5.430 11.397 -6.677 1.00 62.22 H new ATOM 0 HB3 MET A 87 3.821 11.298 -7.363 1.00 62.22 H new ATOM 0 HG2 MET A 87 4.849 14.053 -7.261 1.00 73.04 H new ATOM 0 HG3 MET A 87 5.866 12.981 -8.202 1.00 73.04 H new ATOM 0 HE1 MET A 87 2.350 15.118 -9.757 1.00 35.44 H new ATOM 0 HE2 MET A 87 2.598 14.978 -8.000 1.00 35.44 H new ATOM 0 HE3 MET A 87 3.902 15.606 -9.036 1.00 35.44 H new ATOM 1340 N GLU A 88 1.962 11.030 -5.792 1.00 63.22 N ATOM 1341 CA GLU A 88 0.535 10.736 -5.840 1.00 70.52 C ATOM 1342 C GLU A 88 0.205 9.503 -5.002 1.00 50.45 C ATOM 1343 O GLU A 88 -0.787 8.817 -5.250 1.00 61.21 O ATOM 1344 CB GLU A 88 0.085 10.518 -7.286 1.00 52.03 C ATOM 1345 CG GLU A 88 0.469 11.653 -8.221 1.00 12.14 C ATOM 1346 CD GLU A 88 -0.599 11.942 -9.257 1.00 54.22 C ATOM 1347 OE1 GLU A 88 -1.791 11.983 -8.887 1.00 10.14 O ATOM 1348 OE2 GLU A 88 -0.243 12.128 -10.440 1.00 22.13 O ATOM 0 H GLU A 88 2.565 10.222 -5.947 1.00 63.22 H new ATOM 0 HA GLU A 88 -0.000 11.590 -5.425 1.00 70.52 H new ATOM 0 HB2 GLU A 88 0.520 9.590 -7.657 1.00 52.03 H new ATOM 0 HB3 GLU A 88 -0.998 10.393 -7.306 1.00 52.03 H new ATOM 0 HG2 GLU A 88 0.655 12.554 -7.636 1.00 12.14 H new ATOM 0 HG3 GLU A 88 1.402 11.403 -8.726 1.00 12.14 H new ATOM 1355 N THR A 89 1.044 9.228 -4.009 1.00 5.31 N ATOM 1356 CA THR A 89 0.844 8.079 -3.135 1.00 44.14 C ATOM 1357 C THR A 89 0.681 6.796 -3.943 1.00 2.52 C ATOM 1358 O THR A 89 0.864 6.789 -5.161 1.00 12.12 O ATOM 1359 CB THR A 89 -0.391 8.266 -2.235 1.00 54.11 C ATOM 1360 OG1 THR A 89 -0.922 9.586 -2.399 1.00 42.02 O ATOM 1361 CG2 THR A 89 -0.037 8.035 -0.774 1.00 65.10 C ATOM 0 H THR A 89 1.869 9.786 -3.790 1.00 5.31 H new ATOM 0 HA THR A 89 1.732 8.000 -2.508 1.00 44.14 H new ATOM 0 HB THR A 89 -1.142 7.533 -2.531 1.00 54.11 H new ATOM 0 HG1 THR A 89 -1.708 9.696 -1.824 1.00 42.02 H new ATOM 0 HG21 THR A 89 -0.926 8.173 -0.158 1.00 65.10 H new ATOM 0 HG22 THR A 89 0.339 7.020 -0.647 1.00 65.10 H new ATOM 0 HG23 THR A 89 0.730 8.747 -0.469 1.00 65.10 H new ATOM 1369 N THR A 90 0.335 5.711 -3.258 1.00 25.15 N ATOM 1370 CA THR A 90 0.148 4.422 -3.911 1.00 70.11 C ATOM 1371 C THR A 90 -0.807 3.537 -3.118 1.00 51.12 C ATOM 1372 O THR A 90 -0.732 3.469 -1.892 1.00 42.22 O ATOM 1373 CB THR A 90 1.487 3.682 -4.089 1.00 3.03 C ATOM 1374 OG1 THR A 90 2.298 3.850 -2.921 1.00 23.35 O ATOM 1375 CG2 THR A 90 2.234 4.199 -5.309 1.00 53.50 C ATOM 0 H THR A 90 0.179 5.700 -2.250 1.00 25.15 H new ATOM 0 HA THR A 90 -0.279 4.625 -4.893 1.00 70.11 H new ATOM 0 HB THR A 90 1.275 2.623 -4.235 1.00 3.03 H new ATOM 0 HG1 THR A 90 3.077 4.403 -3.140 1.00 23.35 H new ATOM 0 HG21 THR A 90 3.176 3.661 -5.414 1.00 53.50 H new ATOM 0 HG22 THR A 90 1.626 4.043 -6.201 1.00 53.50 H new ATOM 0 HG23 THR A 90 2.435 5.263 -5.188 1.00 53.50 H new ATOM 1383 N ASN A 91 -1.705 2.860 -3.827 1.00 21.24 N ATOM 1384 CA ASN A 91 -2.675 1.978 -3.188 1.00 14.32 C ATOM 1385 C ASN A 91 -2.205 0.528 -3.233 1.00 22.32 C ATOM 1386 O ASN A 91 -1.882 0.003 -4.298 1.00 24.20 O ATOM 1387 CB ASN A 91 -4.038 2.105 -3.871 1.00 53.53 C ATOM 1388 CG ASN A 91 -4.917 3.154 -3.218 1.00 13.33 C ATOM 1389 OD1 ASN A 91 -4.447 4.228 -2.843 1.00 1.42 O ATOM 1390 ND2 ASN A 91 -6.201 2.846 -3.078 1.00 14.21 N ATOM 0 H ASN A 91 -1.781 2.905 -4.843 1.00 21.24 H new ATOM 0 HA ASN A 91 -2.769 2.278 -2.144 1.00 14.32 H new ATOM 0 HB2 ASN A 91 -3.893 2.359 -4.921 1.00 53.53 H new ATOM 0 HB3 ASN A 91 -4.546 1.141 -3.844 1.00 53.53 H new ATOM 0 HD21 ASN A 91 -6.841 3.512 -2.645 1.00 14.21 H new ATOM 0 HD22 ASN A 91 -6.547 1.944 -3.404 1.00 14.21 H new TER 1397 ASN A 91