USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 57 GLN : amide:sc= 0.751 K(o=1.5,f=-1.6!) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.713 K(o=1.5,f=-3.2!) USER MOD Set 2.1: A 44 MET CE :methyl -177:sc= -1.05 (180deg=-1.13) USER MOD Set 2.2: A 55 MET CE :methyl 164:sc= -0.386 (180deg=-1.07) USER MOD Set 3.1: A 28 SER OG : rot -109:sc= 1.37 USER MOD Set 3.2: A 47 TYR OH : rot -151:sc= 0.322 USER MOD Set 3.3: A 51 GLN : amide:sc= 0 K(o=1.7,f=0.63) USER MOD Single : A 17 HIS : no HD1:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 19 ASN : amide:sc= 1.11 K(o=1.1,f=-0.052) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.1) USER MOD Single : A 25 GLN : amide:sc= 0.948 K(o=0.95,f=-0.43) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0.753 (180deg=0.63) USER MOD Single : A 37 HIS : no HD1:sc= -0.337! C(o=-0.34!,f=-5.7!) USER MOD Single : A 38 THR OG1 : rot -80:sc= -0.648 USER MOD Single : A 41 SER OG : rot -122:sc= 1.49 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0.662 (180deg=0.609) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -39:sc= -0.536 USER MOD Single : A 54 SER OG : rot 180:sc= 0.16 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.689 USER MOD Single : A 75 GLN : amide:sc= -0.0249 K(o=-0.025,f=-0.69) USER MOD Single : A 78 MET CE :methyl -110:sc= -0.852 (180deg=-2.12) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.3) USER MOD Single : A 90 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : B 357 ASN : amide:sc=-0.00927 K(o=-0.0093,f=-0.55) USER MOD Single : B 358 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -4.459 23.258 5.012 1.00 10.00 N ATOM 2 CA ASP A 16 -5.390 22.537 5.910 1.00 10.00 C ATOM 3 C ASP A 16 -5.281 21.034 5.678 1.00 10.00 C ATOM 4 O ASP A 16 -4.220 20.546 5.294 1.00 10.00 O ATOM 5 CB ASP A 16 -6.822 23.018 5.679 1.00 10.00 C ATOM 6 CG ASP A 16 -7.698 22.803 6.894 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.639 21.995 6.814 1.00 10.00 O ATOM 8 OD2 ASP A 16 -7.442 23.437 7.939 1.00 10.00 O ATOM 0 HA ASP A 16 -5.120 22.747 6.945 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -6.811 24.078 5.423 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.249 22.489 4.827 1.00 10.00 H new ATOM 13 N HIS A 17 -6.362 20.299 5.905 1.00 10.00 N ATOM 14 CA HIS A 17 -6.352 18.855 5.719 1.00 10.00 C ATOM 15 C HIS A 17 -7.293 18.449 4.598 1.00 10.00 C ATOM 16 O HIS A 17 -8.386 19.003 4.461 1.00 10.00 O ATOM 17 CB HIS A 17 -6.751 18.150 7.014 1.00 10.00 C ATOM 18 CG HIS A 17 -5.593 17.857 7.915 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.365 18.592 9.054 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.640 16.901 7.806 1.00 10.00 C ATOM 21 CE1 HIS A 17 -4.287 18.065 9.611 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.812 17.039 8.889 1.00 10.00 N ATOM 0 H HIS A 17 -7.255 20.679 6.218 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.340 18.555 5.448 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.470 18.770 7.549 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.256 17.216 6.769 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -4.550 16.170 7.016 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.845 18.417 10.531 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.993 16.471 9.105 1.00 10.00 H new ATOM 30 N ILE A 18 -6.874 17.483 3.801 1.00 10.00 N ATOM 31 CA ILE A 18 -7.684 17.005 2.694 1.00 10.00 C ATOM 32 C ILE A 18 -8.099 15.556 2.936 1.00 10.00 C ATOM 33 O ILE A 18 -7.296 14.737 3.387 1.00 10.00 O ATOM 34 CB ILE A 18 -6.940 17.138 1.342 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.827 16.654 0.190 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.620 16.375 1.365 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.227 16.883 -1.179 1.00 10.00 C ATOM 0 H ILE A 18 -5.974 17.012 3.900 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.577 17.628 2.638 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.714 18.192 1.183 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -8.023 15.589 0.317 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.789 17.164 0.245 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.119 16.486 0.403 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.983 16.774 2.154 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.813 15.319 1.554 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.912 16.515 -1.943 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.057 17.949 -1.328 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.279 16.350 -1.255 1.00 10.00 H new ATOM 49 N ASN A 19 -9.359 15.252 2.666 1.00 10.00 N ATOM 50 CA ASN A 19 -9.872 13.905 2.861 1.00 10.00 C ATOM 51 C ASN A 19 -9.580 13.039 1.648 1.00 10.00 C ATOM 52 O ASN A 19 -10.122 13.265 0.574 1.00 10.00 O ATOM 53 CB ASN A 19 -11.382 13.933 3.116 1.00 10.00 C ATOM 54 CG ASN A 19 -11.741 14.664 4.391 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.764 14.074 5.474 1.00 10.00 O ATOM 56 ND2 ASN A 19 -12.025 15.950 4.273 1.00 10.00 N ATOM 0 H ASN A 19 -10.045 15.919 2.312 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.371 13.480 3.731 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.881 14.412 2.274 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.757 12.911 3.169 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -12.276 16.495 5.098 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.993 16.397 3.357 1.00 10.00 H new ATOM 63 N LEU A 20 -8.706 12.065 1.817 1.00 10.00 N ATOM 64 CA LEU A 20 -8.368 11.163 0.729 1.00 10.00 C ATOM 65 C LEU A 20 -8.750 9.738 1.096 1.00 10.00 C ATOM 66 O LEU A 20 -8.515 9.293 2.222 1.00 10.00 O ATOM 67 CB LEU A 20 -6.879 11.251 0.393 1.00 10.00 C ATOM 68 CG LEU A 20 -6.432 12.573 -0.240 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.951 12.536 -0.568 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.243 12.875 -1.492 1.00 10.00 C ATOM 0 H LEU A 20 -8.218 11.877 2.693 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.931 11.461 -0.156 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.306 11.092 1.307 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.627 10.437 -0.287 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.607 13.369 0.483 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.654 13.484 -1.017 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.380 12.372 0.346 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.754 11.725 -1.269 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.908 13.818 -1.924 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.104 12.074 -2.218 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.299 12.950 -1.232 1.00 10.00 H new ATOM 82 N LYS A 21 -9.365 9.040 0.155 1.00 10.00 N ATOM 83 CA LYS A 21 -9.788 7.668 0.379 1.00 10.00 C ATOM 84 C LYS A 21 -9.010 6.719 -0.515 1.00 10.00 C ATOM 85 O LYS A 21 -8.595 7.083 -1.613 1.00 10.00 O ATOM 86 CB LYS A 21 -11.279 7.496 0.078 1.00 10.00 C ATOM 87 CG LYS A 21 -12.191 8.505 0.751 1.00 10.00 C ATOM 88 CD LYS A 21 -13.582 8.443 0.144 1.00 10.00 C ATOM 89 CE LYS A 21 -14.526 9.451 0.774 1.00 10.00 C ATOM 90 NZ LYS A 21 -15.796 9.552 0.010 1.00 10.00 N ATOM 0 H LYS A 21 -9.583 9.402 -0.773 1.00 10.00 H new ATOM 0 HA LYS A 21 -9.598 7.437 1.427 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.426 7.559 -1.000 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -11.582 6.495 0.383 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.244 8.301 1.821 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.781 9.509 0.637 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.518 8.628 -0.928 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -13.988 7.439 0.270 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.740 9.159 1.802 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.044 10.428 0.814 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.324 10.391 0.324 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.585 9.636 -1.005 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.369 8.700 0.175 1.00 10.00 H new ATOM 104 N VAL A 22 -8.822 5.503 -0.043 1.00 10.00 N ATOM 105 CA VAL A 22 -8.128 4.485 -0.805 1.00 10.00 C ATOM 106 C VAL A 22 -9.032 3.266 -0.931 1.00 10.00 C ATOM 107 O VAL A 22 -9.544 2.764 0.070 1.00 10.00 O ATOM 108 CB VAL A 22 -6.787 4.084 -0.151 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.091 3.002 -0.960 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.880 5.296 0.009 1.00 10.00 C ATOM 0 H VAL A 22 -9.144 5.194 0.874 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.895 4.891 -1.790 1.00 10.00 H new ATOM 0 HB VAL A 22 -7.003 3.684 0.839 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -5.149 2.737 -0.479 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.731 2.121 -1.016 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.893 3.371 -1.966 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.942 4.990 0.472 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.677 5.730 -0.970 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.371 6.037 0.640 1.00 10.00 H new ATOM 120 N ALA A 23 -9.247 2.813 -2.154 1.00 10.00 N ATOM 121 CA ALA A 23 -10.113 1.675 -2.399 1.00 10.00 C ATOM 122 C ALA A 23 -9.318 0.382 -2.498 1.00 10.00 C ATOM 123 O ALA A 23 -8.647 0.124 -3.498 1.00 10.00 O ATOM 124 CB ALA A 23 -10.926 1.895 -3.668 1.00 10.00 C ATOM 0 H ALA A 23 -8.832 3.217 -2.994 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.793 1.584 -1.552 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.572 1.034 -3.840 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.537 2.791 -3.558 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.252 2.018 -4.515 1.00 10.00 H new ATOM 130 N GLY A 24 -9.387 -0.421 -1.446 1.00 10.00 N ATOM 131 CA GLY A 24 -8.692 -1.688 -1.437 1.00 10.00 C ATOM 132 C GLY A 24 -9.493 -2.754 -2.154 1.00 10.00 C ATOM 133 O GLY A 24 -10.718 -2.661 -2.232 1.00 10.00 O ATOM 0 H GLY A 24 -9.914 -0.215 -0.597 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.719 -1.576 -1.916 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -8.507 -1.998 -0.408 1.00 10.00 H new ATOM 137 N GLN A 25 -8.813 -3.772 -2.673 1.00 10.00 N ATOM 138 CA GLN A 25 -9.480 -4.855 -3.395 1.00 10.00 C ATOM 139 C GLN A 25 -10.428 -5.632 -2.482 1.00 10.00 C ATOM 140 O GLN A 25 -11.352 -6.301 -2.948 1.00 10.00 O ATOM 141 CB GLN A 25 -8.441 -5.802 -4.005 1.00 10.00 C ATOM 142 CG GLN A 25 -7.579 -5.148 -5.073 1.00 10.00 C ATOM 143 CD GLN A 25 -8.390 -4.649 -6.255 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.368 -5.271 -6.664 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.993 -3.510 -6.800 1.00 10.00 N ATOM 0 H GLN A 25 -7.800 -3.871 -2.608 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.073 -4.410 -4.194 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.797 -6.182 -3.212 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.954 -6.661 -4.438 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -7.034 -4.313 -4.633 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.836 -5.864 -5.424 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.175 -3.025 -6.430 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.505 -3.117 -7.590 1.00 10.00 H new ATOM 154 N ASP A 26 -10.199 -5.524 -1.182 1.00 10.00 N ATOM 155 CA ASP A 26 -11.019 -6.207 -0.189 1.00 10.00 C ATOM 156 C ASP A 26 -12.151 -5.304 0.293 1.00 10.00 C ATOM 157 O ASP A 26 -12.964 -5.701 1.128 1.00 10.00 O ATOM 158 CB ASP A 26 -10.159 -6.628 1.005 1.00 10.00 C ATOM 159 CG ASP A 26 -9.724 -5.442 1.843 1.00 10.00 C ATOM 160 OD1 ASP A 26 -9.193 -4.471 1.268 1.00 10.00 O ATOM 161 OD2 ASP A 26 -9.908 -5.479 3.078 1.00 10.00 O ATOM 0 H ASP A 26 -9.444 -4.964 -0.786 1.00 10.00 H new ATOM 0 HA ASP A 26 -11.450 -7.092 -0.657 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -10.721 -7.324 1.628 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -9.278 -7.160 0.646 1.00 10.00 H new ATOM 166 N GLY A 27 -12.196 -4.089 -0.240 1.00 10.00 N ATOM 167 CA GLY A 27 -13.226 -3.147 0.147 1.00 10.00 C ATOM 168 C GLY A 27 -12.911 -2.450 1.457 1.00 10.00 C ATOM 169 O GLY A 27 -13.793 -2.251 2.293 1.00 10.00 O ATOM 0 H GLY A 27 -11.536 -3.740 -0.935 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.346 -2.401 -0.639 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -14.178 -3.670 0.237 1.00 10.00 H new ATOM 173 N SER A 28 -11.648 -2.100 1.644 1.00 10.00 N ATOM 174 CA SER A 28 -11.218 -1.418 2.853 1.00 10.00 C ATOM 175 C SER A 28 -11.376 0.090 2.699 1.00 10.00 C ATOM 176 O SER A 28 -10.784 0.698 1.806 1.00 10.00 O ATOM 177 CB SER A 28 -9.758 -1.767 3.154 1.00 10.00 C ATOM 178 OG SER A 28 -9.025 -1.980 1.954 1.00 10.00 O ATOM 0 H SER A 28 -10.902 -2.278 0.972 1.00 10.00 H new ATOM 0 HA SER A 28 -11.843 -1.747 3.683 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.299 -0.961 3.726 1.00 10.00 H new ATOM 0 HB3 SER A 28 -9.715 -2.663 3.774 1.00 10.00 H new ATOM 0 HG SER A 28 -8.815 -2.933 1.864 1.00 10.00 H new ATOM 184 N VAL A 29 -12.192 0.690 3.551 1.00 10.00 N ATOM 185 CA VAL A 29 -12.402 2.124 3.504 1.00 10.00 C ATOM 186 C VAL A 29 -11.451 2.822 4.469 1.00 10.00 C ATOM 187 O VAL A 29 -11.763 3.017 5.646 1.00 10.00 O ATOM 188 CB VAL A 29 -13.865 2.506 3.828 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.069 4.012 3.757 1.00 10.00 C ATOM 190 CG2 VAL A 29 -14.822 1.800 2.879 1.00 10.00 C ATOM 0 H VAL A 29 -12.717 0.207 4.280 1.00 10.00 H new ATOM 0 HA VAL A 29 -12.196 2.454 2.486 1.00 10.00 H new ATOM 0 HB VAL A 29 -14.077 2.183 4.847 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.107 4.250 3.989 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -13.414 4.502 4.477 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -13.832 4.364 2.753 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -15.847 2.080 3.121 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -14.599 2.092 1.853 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -14.707 0.721 2.982 1.00 10.00 H new ATOM 200 N VAL A 30 -10.270 3.159 3.973 1.00 10.00 N ATOM 201 CA VAL A 30 -9.267 3.835 4.783 1.00 10.00 C ATOM 202 C VAL A 30 -9.362 5.343 4.622 1.00 10.00 C ATOM 203 O VAL A 30 -9.310 5.865 3.505 1.00 10.00 O ATOM 204 CB VAL A 30 -7.831 3.391 4.421 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.473 2.086 5.103 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.665 3.267 2.919 1.00 10.00 C ATOM 0 H VAL A 30 -9.982 2.975 3.012 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.471 3.557 5.817 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.147 4.160 4.780 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.458 1.799 4.829 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.536 2.211 6.184 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -8.168 1.308 4.787 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.646 2.953 2.690 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -8.367 2.527 2.535 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.862 4.231 2.450 1.00 10.00 H new ATOM 216 N GLN A 31 -9.528 6.036 5.734 1.00 10.00 N ATOM 217 CA GLN A 31 -9.597 7.487 5.718 1.00 10.00 C ATOM 218 C GLN A 31 -8.212 8.041 6.005 1.00 10.00 C ATOM 219 O GLN A 31 -7.658 7.813 7.082 1.00 10.00 O ATOM 220 CB GLN A 31 -10.608 8.007 6.742 1.00 10.00 C ATOM 221 CG GLN A 31 -10.953 9.478 6.554 1.00 10.00 C ATOM 222 CD GLN A 31 -11.955 9.983 7.572 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.792 9.228 8.069 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.895 11.270 7.875 1.00 10.00 N ATOM 0 H GLN A 31 -9.618 5.618 6.660 1.00 10.00 H new ATOM 0 HA GLN A 31 -9.934 7.819 4.736 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.521 7.415 6.674 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.207 7.860 7.745 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.041 10.072 6.623 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -11.355 9.627 5.552 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.187 11.863 7.442 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.557 11.668 8.541 1.00 10.00 H new ATOM 233 N PHE A 32 -7.653 8.748 5.041 1.00 10.00 N ATOM 234 CA PHE A 32 -6.318 9.301 5.185 1.00 10.00 C ATOM 235 C PHE A 32 -6.328 10.756 5.625 1.00 10.00 C ATOM 236 O PHE A 32 -6.805 11.634 4.901 1.00 10.00 O ATOM 237 CB PHE A 32 -5.555 9.172 3.869 1.00 10.00 C ATOM 238 CG PHE A 32 -4.639 7.991 3.824 1.00 10.00 C ATOM 239 CD1 PHE A 32 -5.075 6.777 3.324 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.341 8.096 4.287 1.00 10.00 C ATOM 241 CE1 PHE A 32 -4.227 5.689 3.284 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.491 7.013 4.247 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.933 5.808 3.748 1.00 10.00 C ATOM 0 H PHE A 32 -8.102 8.953 4.149 1.00 10.00 H new ATOM 0 HA PHE A 32 -5.821 8.728 5.968 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.270 9.099 3.049 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -4.974 10.079 3.705 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -6.088 6.680 2.962 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -2.990 9.037 4.684 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -4.576 4.746 2.890 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.477 7.109 4.607 1.00 10.00 H new ATOM 0 HZ PHE A 32 -2.268 4.958 3.720 1.00 10.00 H new ATOM 253 N LYS A 33 -5.815 11.002 6.823 1.00 10.00 N ATOM 254 CA LYS A 33 -5.705 12.357 7.340 1.00 10.00 C ATOM 255 C LYS A 33 -4.349 12.904 6.923 1.00 10.00 C ATOM 256 O LYS A 33 -3.369 12.808 7.666 1.00 10.00 O ATOM 257 CB LYS A 33 -5.841 12.385 8.866 1.00 10.00 C ATOM 258 CG LYS A 33 -6.125 13.775 9.416 1.00 10.00 C ATOM 259 CD LYS A 33 -7.615 14.025 9.556 1.00 10.00 C ATOM 260 CE LYS A 33 -7.913 15.492 9.826 1.00 10.00 C ATOM 261 NZ LYS A 33 -9.319 15.704 10.269 1.00 10.00 N ATOM 0 H LYS A 33 -5.469 10.280 7.454 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.510 12.970 6.935 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -6.644 11.712 9.165 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -4.923 12.005 9.313 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.643 13.888 10.387 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -5.690 14.525 8.755 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.124 13.711 8.645 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -8.012 13.417 10.369 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -7.232 15.865 10.591 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -7.726 16.072 8.922 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -9.479 16.717 10.442 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -9.970 15.372 9.529 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -9.491 15.172 11.146 1.00 10.00 H new ATOM 275 N ILE A 34 -4.291 13.446 5.719 1.00 10.00 N ATOM 276 CA ILE A 34 -3.052 13.967 5.176 1.00 10.00 C ATOM 277 C ILE A 34 -3.249 15.392 4.641 1.00 10.00 C ATOM 278 O ILE A 34 -4.382 15.863 4.514 1.00 10.00 O ATOM 279 CB ILE A 34 -2.549 13.033 4.041 1.00 10.00 C ATOM 280 CG1 ILE A 34 -1.115 13.371 3.626 1.00 10.00 C ATOM 281 CG2 ILE A 34 -3.486 13.100 2.842 1.00 10.00 C ATOM 282 CD1 ILE A 34 -0.484 12.329 2.728 1.00 10.00 C ATOM 0 H ILE A 34 -5.094 13.536 5.097 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.308 14.003 5.971 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.547 12.014 4.427 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -1.111 14.332 3.112 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -0.504 13.486 4.521 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.119 12.440 2.056 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -4.485 12.785 3.143 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.525 14.123 2.468 1.00 10.00 H new ATOM 0 HD11 ILE A 34 0.531 12.634 2.474 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.456 11.371 3.247 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -1.072 12.230 1.816 1.00 10.00 H new ATOM 294 N LYS A 35 -2.151 16.077 4.349 1.00 10.00 N ATOM 295 CA LYS A 35 -2.208 17.424 3.804 1.00 10.00 C ATOM 296 C LYS A 35 -2.000 17.367 2.295 1.00 10.00 C ATOM 297 O LYS A 35 -1.712 16.305 1.743 1.00 10.00 O ATOM 298 CB LYS A 35 -1.148 18.319 4.451 1.00 10.00 C ATOM 299 CG LYS A 35 -1.395 18.601 5.925 1.00 10.00 C ATOM 300 CD LYS A 35 -0.326 19.517 6.501 1.00 10.00 C ATOM 301 CE LYS A 35 -0.505 19.725 7.997 1.00 10.00 C ATOM 302 NZ LYS A 35 0.604 20.529 8.579 1.00 10.00 N ATOM 0 H LYS A 35 -1.206 15.718 4.482 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.187 17.851 4.021 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.172 17.847 4.340 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -1.108 19.266 3.912 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -2.376 19.060 6.050 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -1.409 17.663 6.479 1.00 10.00 H new ATOM 0 HD2 LYS A 35 0.659 19.092 6.309 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.362 20.481 5.993 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -1.455 20.227 8.183 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -0.553 18.757 8.496 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 0.581 20.452 9.616 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 1.514 20.172 8.225 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.492 21.525 8.303 1.00 10.00 H new ATOM 316 N ARG A 36 -2.124 18.503 1.628 1.00 10.00 N ATOM 317 CA ARG A 36 -1.961 18.550 0.180 1.00 10.00 C ATOM 318 C ARG A 36 -0.494 18.668 -0.230 1.00 10.00 C ATOM 319 O ARG A 36 -0.145 18.400 -1.380 1.00 10.00 O ATOM 320 CB ARG A 36 -2.765 19.704 -0.413 1.00 10.00 C ATOM 321 CG ARG A 36 -4.058 19.250 -1.064 1.00 10.00 C ATOM 322 CD ARG A 36 -4.766 20.392 -1.771 1.00 10.00 C ATOM 323 NE ARG A 36 -5.747 19.900 -2.735 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.913 20.489 -2.991 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.251 21.614 -2.373 1.00 10.00 N ATOM 326 NH2 ARG A 36 -7.735 19.947 -3.878 1.00 10.00 N ATOM 0 H ARG A 36 -2.336 19.402 2.061 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.339 17.608 -0.216 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.993 20.423 0.374 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.155 20.223 -1.152 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -3.845 18.456 -1.780 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.718 18.827 -0.306 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -5.263 21.024 -1.035 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.032 21.015 -2.283 1.00 10.00 H new ATOM 0 HE ARG A 36 -5.523 19.047 -3.247 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -6.615 22.035 -1.695 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.147 22.058 -2.576 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -7.472 19.086 -4.358 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -8.631 20.391 -4.081 1.00 10.00 H new ATOM 340 N HIS A 37 0.359 19.054 0.708 1.00 10.00 N ATOM 341 CA HIS A 37 1.782 19.205 0.414 1.00 10.00 C ATOM 342 C HIS A 37 2.567 17.947 0.801 1.00 10.00 C ATOM 343 O HIS A 37 3.705 17.761 0.371 1.00 10.00 O ATOM 344 CB HIS A 37 2.351 20.449 1.120 1.00 10.00 C ATOM 345 CG HIS A 37 2.879 20.202 2.503 1.00 10.00 C ATOM 346 ND1 HIS A 37 4.226 20.162 2.756 1.00 10.00 N ATOM 347 CD2 HIS A 37 2.207 19.960 3.652 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.344 19.904 4.045 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.148 19.772 4.631 1.00 10.00 N ATOM 0 H HIS A 37 0.097 19.267 1.671 1.00 10.00 H new ATOM 0 HA HIS A 37 1.891 19.342 -0.662 1.00 10.00 H new ATOM 0 HB2 HIS A 37 3.153 20.861 0.508 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.570 21.207 1.175 1.00 10.00 H new ATOM 0 HD2 HIS A 37 1.135 19.922 3.774 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.288 19.811 4.562 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.971 19.571 5.615 1.00 10.00 H new ATOM 357 N THR A 38 1.954 17.094 1.611 1.00 10.00 N ATOM 358 CA THR A 38 2.593 15.868 2.059 1.00 10.00 C ATOM 359 C THR A 38 2.723 14.872 0.901 1.00 10.00 C ATOM 360 O THR A 38 1.737 14.553 0.239 1.00 10.00 O ATOM 361 CB THR A 38 1.787 15.233 3.209 1.00 10.00 C ATOM 362 OG1 THR A 38 1.318 16.262 4.096 1.00 10.00 O ATOM 363 CG2 THR A 38 2.626 14.231 3.988 1.00 10.00 C ATOM 0 H THR A 38 1.010 17.232 1.972 1.00 10.00 H new ATOM 0 HA THR A 38 3.591 16.116 2.420 1.00 10.00 H new ATOM 0 HB THR A 38 0.940 14.702 2.775 1.00 10.00 H new ATOM 0 HG1 THR A 38 2.043 16.530 4.698 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.027 13.802 4.792 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.958 13.437 3.319 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.494 14.735 4.412 1.00 10.00 H new ATOM 371 N PRO A 39 3.952 14.391 0.629 1.00 10.00 N ATOM 372 CA PRO A 39 4.220 13.437 -0.462 1.00 10.00 C ATOM 373 C PRO A 39 3.314 12.207 -0.427 1.00 10.00 C ATOM 374 O PRO A 39 3.059 11.634 0.637 1.00 10.00 O ATOM 375 CB PRO A 39 5.678 13.033 -0.227 1.00 10.00 C ATOM 376 CG PRO A 39 6.280 14.180 0.503 1.00 10.00 C ATOM 377 CD PRO A 39 5.184 14.750 1.359 1.00 10.00 C ATOM 0 HA PRO A 39 4.031 13.886 -1.437 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.744 12.115 0.356 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.194 12.850 -1.169 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.122 13.855 1.114 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.661 14.928 -0.192 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.195 14.323 2.362 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.283 15.830 1.471 1.00 10.00 H new ATOM 385 N LEU A 40 2.853 11.790 -1.604 1.00 10.00 N ATOM 386 CA LEU A 40 1.975 10.631 -1.721 1.00 10.00 C ATOM 387 C LEU A 40 2.741 9.342 -1.436 1.00 10.00 C ATOM 388 O LEU A 40 2.142 8.286 -1.233 1.00 10.00 O ATOM 389 CB LEU A 40 1.334 10.573 -3.109 1.00 10.00 C ATOM 390 CG LEU A 40 0.164 11.536 -3.326 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.351 11.439 -4.752 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.959 11.251 -2.337 1.00 10.00 C ATOM 0 H LEU A 40 3.075 12.240 -2.492 1.00 10.00 H new ATOM 0 HA LEU A 40 1.182 10.733 -0.980 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.100 10.783 -3.855 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.985 9.556 -3.289 1.00 10.00 H new ATOM 0 HG LEU A 40 0.524 12.551 -3.156 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.182 12.131 -4.886 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.450 11.694 -5.446 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.690 10.422 -4.948 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.780 11.947 -2.509 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.314 10.230 -2.474 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.587 11.373 -1.320 1.00 10.00 H new ATOM 404 N SER A 41 4.063 9.438 -1.428 1.00 10.00 N ATOM 405 CA SER A 41 4.917 8.300 -1.129 1.00 10.00 C ATOM 406 C SER A 41 4.655 7.849 0.300 1.00 10.00 C ATOM 407 O SER A 41 4.670 6.657 0.617 1.00 10.00 O ATOM 408 CB SER A 41 6.375 8.705 -1.300 1.00 10.00 C ATOM 409 OG SER A 41 6.471 10.106 -1.500 1.00 10.00 O ATOM 0 H SER A 41 4.570 10.301 -1.627 1.00 10.00 H new ATOM 0 HA SER A 41 4.700 7.476 -1.809 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.947 8.416 -0.418 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.810 8.178 -2.149 1.00 10.00 H new ATOM 0 HG SER A 41 6.919 10.285 -2.353 1.00 10.00 H new ATOM 415 N LYS A 42 4.385 8.832 1.145 1.00 10.00 N ATOM 416 CA LYS A 42 4.087 8.603 2.546 1.00 10.00 C ATOM 417 C LYS A 42 2.753 7.877 2.664 1.00 10.00 C ATOM 418 O LYS A 42 2.578 6.999 3.504 1.00 10.00 O ATOM 419 CB LYS A 42 4.021 9.946 3.265 1.00 10.00 C ATOM 420 CG LYS A 42 4.338 9.891 4.750 1.00 10.00 C ATOM 421 CD LYS A 42 4.173 11.266 5.372 1.00 10.00 C ATOM 422 CE LYS A 42 4.388 11.258 6.872 1.00 10.00 C ATOM 423 NZ LYS A 42 5.790 10.977 7.263 1.00 10.00 N ATOM 0 H LYS A 42 4.367 9.815 0.874 1.00 10.00 H new ATOM 0 HA LYS A 42 4.865 7.990 3.001 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.717 10.634 2.785 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.022 10.362 3.136 1.00 10.00 H new ATOM 0 HG2 LYS A 42 3.678 9.179 5.244 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.358 9.536 4.899 1.00 10.00 H new ATOM 0 HD2 LYS A 42 4.880 11.956 4.911 1.00 10.00 H new ATOM 0 HD3 LYS A 42 3.173 11.641 5.154 1.00 10.00 H new ATOM 0 HE2 LYS A 42 4.091 12.224 7.279 1.00 10.00 H new ATOM 0 HE3 LYS A 42 3.736 10.509 7.321 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 5.847 10.868 8.296 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 6.109 10.100 6.804 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 6.399 11.766 6.964 1.00 10.00 H new ATOM 437 N LEU A 43 1.824 8.249 1.786 1.00 10.00 N ATOM 438 CA LEU A 43 0.494 7.658 1.753 1.00 10.00 C ATOM 439 C LEU A 43 0.565 6.202 1.317 1.00 10.00 C ATOM 440 O LEU A 43 -0.055 5.330 1.928 1.00 10.00 O ATOM 441 CB LEU A 43 -0.407 8.454 0.808 1.00 10.00 C ATOM 442 CG LEU A 43 -1.903 8.342 1.095 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.607 9.647 0.761 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.510 7.195 0.307 1.00 10.00 C ATOM 0 H LEU A 43 1.975 8.969 1.079 1.00 10.00 H new ATOM 0 HA LEU A 43 0.071 7.693 2.757 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.121 9.505 0.856 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.222 8.120 -0.213 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.037 8.140 2.158 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.672 9.550 0.971 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.189 10.451 1.367 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.465 9.877 -0.295 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.576 7.129 0.523 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -2.366 7.370 -0.759 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.024 6.261 0.591 1.00 10.00 H new ATOM 456 N MET A 44 1.337 5.946 0.269 1.00 10.00 N ATOM 457 CA MET A 44 1.493 4.594 -0.250 1.00 10.00 C ATOM 458 C MET A 44 2.115 3.676 0.797 1.00 10.00 C ATOM 459 O MET A 44 1.701 2.528 0.954 1.00 10.00 O ATOM 460 CB MET A 44 2.348 4.605 -1.523 1.00 10.00 C ATOM 461 CG MET A 44 1.664 5.275 -2.706 1.00 10.00 C ATOM 462 SD MET A 44 2.564 5.060 -4.258 1.00 10.00 S ATOM 463 CE MET A 44 3.820 6.326 -4.100 1.00 10.00 C ATOM 0 H MET A 44 1.865 6.657 -0.238 1.00 10.00 H new ATOM 0 HA MET A 44 0.503 4.209 -0.495 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.287 5.119 -1.317 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.599 3.579 -1.792 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.659 4.867 -2.816 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.555 6.340 -2.500 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.424 6.354 -5.007 1.00 10.00 H new ATOM 0 HE2 MET A 44 3.343 7.295 -3.951 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.458 6.101 -3.246 1.00 10.00 H new ATOM 473 N LYS A 45 3.095 4.192 1.527 1.00 10.00 N ATOM 474 CA LYS A 45 3.770 3.412 2.557 1.00 10.00 C ATOM 475 C LYS A 45 2.905 3.256 3.806 1.00 10.00 C ATOM 476 O LYS A 45 2.990 2.245 4.500 1.00 10.00 O ATOM 477 CB LYS A 45 5.114 4.046 2.915 1.00 10.00 C ATOM 478 CG LYS A 45 6.170 3.858 1.837 1.00 10.00 C ATOM 479 CD LYS A 45 7.536 4.343 2.292 1.00 10.00 C ATOM 480 CE LYS A 45 7.616 5.863 2.332 1.00 10.00 C ATOM 481 NZ LYS A 45 8.978 6.339 2.688 1.00 10.00 N ATOM 0 H LYS A 45 3.440 5.146 1.426 1.00 10.00 H new ATOM 0 HA LYS A 45 3.946 2.416 2.151 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.970 5.112 3.092 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.475 3.614 3.848 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.230 2.804 1.568 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.873 4.400 0.939 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.752 3.942 3.282 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.301 3.957 1.618 1.00 10.00 H new ATOM 0 HE2 LYS A 45 7.333 6.267 1.360 1.00 10.00 H new ATOM 0 HE3 LYS A 45 6.897 6.245 3.057 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 8.989 7.379 2.704 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.238 5.975 3.627 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.661 5.996 1.982 1.00 10.00 H new ATOM 495 N ALA A 46 2.070 4.251 4.090 1.00 10.00 N ATOM 496 CA ALA A 46 1.197 4.197 5.260 1.00 10.00 C ATOM 497 C ALA A 46 0.219 3.032 5.153 1.00 10.00 C ATOM 498 O ALA A 46 0.101 2.221 6.074 1.00 10.00 O ATOM 499 CB ALA A 46 0.445 5.507 5.426 1.00 10.00 C ATOM 0 H ALA A 46 1.979 5.099 3.531 1.00 10.00 H new ATOM 0 HA ALA A 46 1.820 4.041 6.141 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.200 5.448 6.303 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.158 6.322 5.554 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -0.163 5.692 4.540 1.00 10.00 H new ATOM 505 N TYR A 47 -0.474 2.945 4.022 1.00 10.00 N ATOM 506 CA TYR A 47 -1.426 1.864 3.798 1.00 10.00 C ATOM 507 C TYR A 47 -0.677 0.538 3.704 1.00 10.00 C ATOM 508 O TYR A 47 -1.186 -0.511 4.098 1.00 10.00 O ATOM 509 CB TYR A 47 -2.248 2.124 2.527 1.00 10.00 C ATOM 510 CG TYR A 47 -3.278 1.055 2.217 1.00 10.00 C ATOM 511 CD1 TYR A 47 -3.128 0.212 1.121 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.400 0.889 3.022 1.00 10.00 C ATOM 513 CE1 TYR A 47 -4.069 -0.762 0.835 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.342 -0.084 2.741 1.00 10.00 C ATOM 515 CZ TYR A 47 -5.173 -0.905 1.648 1.00 10.00 C ATOM 516 OH TYR A 47 -6.107 -1.877 1.368 1.00 10.00 O ATOM 0 H TYR A 47 -0.395 3.607 3.250 1.00 10.00 H new ATOM 0 HA TYR A 47 -2.120 1.816 4.637 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.757 3.083 2.628 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.567 2.212 1.680 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.263 0.319 0.483 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.538 1.530 3.880 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.939 -1.407 -0.021 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.207 -0.200 3.377 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.986 -1.588 1.690 1.00 10.00 H new ATOM 526 N CYS A 48 0.551 0.607 3.204 1.00 10.00 N ATOM 527 CA CYS A 48 1.403 -0.565 3.064 1.00 10.00 C ATOM 528 C CYS A 48 1.663 -1.213 4.425 1.00 10.00 C ATOM 529 O CYS A 48 1.471 -2.420 4.597 1.00 10.00 O ATOM 530 CB CYS A 48 2.726 -0.159 2.411 1.00 10.00 C ATOM 531 SG CYS A 48 3.858 -1.527 2.092 1.00 10.00 S ATOM 0 H CYS A 48 0.982 1.475 2.885 1.00 10.00 H new ATOM 0 HA CYS A 48 0.896 -1.295 2.433 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.511 0.345 1.469 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.225 0.566 3.053 1.00 10.00 H new ATOM 0 HG CYS A 48 3.810 -2.370 3.081 1.00 10.00 H new ATOM 537 N GLU A 49 2.076 -0.401 5.397 1.00 10.00 N ATOM 538 CA GLU A 49 2.367 -0.886 6.744 1.00 10.00 C ATOM 539 C GLU A 49 1.082 -1.231 7.495 1.00 10.00 C ATOM 540 O GLU A 49 1.104 -1.977 8.473 1.00 10.00 O ATOM 541 CB GLU A 49 3.172 0.160 7.523 1.00 10.00 C ATOM 542 CG GLU A 49 4.479 0.552 6.845 1.00 10.00 C ATOM 543 CD GLU A 49 5.587 -0.467 7.047 1.00 10.00 C ATOM 544 OE1 GLU A 49 6.674 -0.079 7.526 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.386 -1.658 6.732 1.00 10.00 O ATOM 0 H GLU A 49 2.217 0.602 5.275 1.00 10.00 H new ATOM 0 HA GLU A 49 2.961 -1.796 6.654 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.560 1.052 7.657 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.391 -0.229 8.518 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.303 0.680 5.777 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.807 1.517 7.232 1.00 10.00 H new ATOM 552 N ARG A 50 -0.039 -0.688 7.031 1.00 10.00 N ATOM 553 CA ARG A 50 -1.335 -0.960 7.647 1.00 10.00 C ATOM 554 C ARG A 50 -1.739 -2.408 7.374 1.00 10.00 C ATOM 555 O ARG A 50 -2.301 -3.089 8.235 1.00 10.00 O ATOM 556 CB ARG A 50 -2.396 -0.002 7.088 1.00 10.00 C ATOM 557 CG ARG A 50 -3.454 0.447 8.092 1.00 10.00 C ATOM 558 CD ARG A 50 -2.856 1.260 9.232 1.00 10.00 C ATOM 559 NE ARG A 50 -2.838 0.524 10.497 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.928 0.259 11.230 1.00 10.00 C ATOM 561 NH1 ARG A 50 -5.137 0.599 10.795 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.808 -0.368 12.393 1.00 10.00 N ATOM 0 H ARG A 50 -0.077 -0.057 6.231 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.259 -0.807 8.723 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.894 0.881 6.693 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.896 -0.487 6.249 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.209 1.043 7.580 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.961 -0.428 8.499 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -1.839 1.552 8.971 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -3.429 2.179 9.358 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.938 0.191 10.843 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.242 1.067 9.895 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.960 0.392 11.361 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -2.886 -0.648 12.729 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -4.637 -0.570 12.951 1.00 10.00 H new ATOM 576 N GLN A 51 -1.420 -2.876 6.171 1.00 10.00 N ATOM 577 CA GLN A 51 -1.741 -4.241 5.761 1.00 10.00 C ATOM 578 C GLN A 51 -0.575 -5.183 6.046 1.00 10.00 C ATOM 579 O GLN A 51 -0.715 -6.406 5.960 1.00 10.00 O ATOM 580 CB GLN A 51 -2.080 -4.282 4.269 1.00 10.00 C ATOM 581 CG GLN A 51 -3.009 -3.165 3.814 1.00 10.00 C ATOM 582 CD GLN A 51 -4.367 -3.213 4.486 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.567 -2.633 5.552 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.315 -3.896 3.864 1.00 10.00 N ATOM 0 H GLN A 51 -0.937 -2.328 5.459 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.606 -4.570 6.337 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -1.155 -4.228 3.695 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.542 -5.242 4.038 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -2.541 -2.203 4.022 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.142 -3.228 2.734 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.111 -4.364 2.981 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.250 -3.954 4.268 1.00 10.00 H new ATOM 593 N GLY A 52 0.576 -4.605 6.374 1.00 10.00 N ATOM 594 CA GLY A 52 1.758 -5.396 6.660 1.00 10.00 C ATOM 595 C GLY A 52 2.350 -6.003 5.405 1.00 10.00 C ATOM 596 O GLY A 52 2.824 -7.139 5.418 1.00 10.00 O ATOM 0 H GLY A 52 0.711 -3.597 6.447 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.505 -4.769 7.147 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.502 -6.190 7.361 1.00 10.00 H new ATOM 600 N LEU A 53 2.319 -5.245 4.321 1.00 10.00 N ATOM 601 CA LEU A 53 2.848 -5.710 3.046 1.00 10.00 C ATOM 602 C LEU A 53 4.033 -4.857 2.619 1.00 10.00 C ATOM 603 O LEU A 53 4.569 -4.085 3.416 1.00 10.00 O ATOM 604 CB LEU A 53 1.757 -5.672 1.973 1.00 10.00 C ATOM 605 CG LEU A 53 0.687 -6.757 2.091 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.504 -6.430 1.204 1.00 10.00 C ATOM 607 CD2 LEU A 53 1.265 -8.118 1.723 1.00 10.00 C ATOM 0 H LEU A 53 1.932 -4.302 4.297 1.00 10.00 H new ATOM 0 HA LEU A 53 3.186 -6.739 3.167 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.269 -4.698 2.009 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.230 -5.756 0.994 1.00 10.00 H new ATOM 0 HG LEU A 53 0.347 -6.793 3.126 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.256 -7.213 1.301 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.933 -5.475 1.509 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -0.178 -6.366 0.166 1.00 10.00 H new ATOM 0 HD21 LEU A 53 0.490 -8.879 1.813 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.631 -8.092 0.697 1.00 10.00 H new ATOM 0 HD23 LEU A 53 2.088 -8.358 2.396 1.00 10.00 H new ATOM 619 N SER A 54 4.438 -4.999 1.367 1.00 10.00 N ATOM 620 CA SER A 54 5.555 -4.240 0.832 1.00 10.00 C ATOM 621 C SER A 54 5.097 -3.380 -0.339 1.00 10.00 C ATOM 622 O SER A 54 4.275 -3.810 -1.153 1.00 10.00 O ATOM 623 CB SER A 54 6.676 -5.185 0.387 1.00 10.00 C ATOM 624 OG SER A 54 7.678 -4.486 -0.336 1.00 10.00 O ATOM 0 H SER A 54 4.006 -5.638 0.699 1.00 10.00 H new ATOM 0 HA SER A 54 5.939 -3.588 1.616 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.120 -5.663 1.260 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.261 -5.978 -0.235 1.00 10.00 H new ATOM 0 HG SER A 54 8.382 -5.111 -0.607 1.00 10.00 H new ATOM 630 N MET A 55 5.644 -2.172 -0.423 1.00 10.00 N ATOM 631 CA MET A 55 5.307 -1.241 -1.493 1.00 10.00 C ATOM 632 C MET A 55 5.789 -1.781 -2.835 1.00 10.00 C ATOM 633 O MET A 55 5.329 -1.360 -3.893 1.00 10.00 O ATOM 634 CB MET A 55 5.928 0.130 -1.215 1.00 10.00 C ATOM 635 CG MET A 55 5.552 1.191 -2.234 1.00 10.00 C ATOM 636 SD MET A 55 6.294 2.794 -1.877 1.00 10.00 S ATOM 637 CE MET A 55 6.043 3.621 -3.444 1.00 10.00 C ATOM 0 H MET A 55 6.328 -1.813 0.243 1.00 10.00 H new ATOM 0 HA MET A 55 4.223 -1.131 -1.533 1.00 10.00 H new ATOM 0 HB2 MET A 55 5.619 0.465 -0.225 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.013 0.029 -1.193 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.865 0.863 -3.225 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.467 1.295 -2.260 1.00 10.00 H new ATOM 0 HE1 MET A 55 6.180 4.695 -3.315 1.00 10.00 H new ATOM 0 HE2 MET A 55 6.764 3.248 -4.172 1.00 10.00 H new ATOM 0 HE3 MET A 55 5.032 3.425 -3.801 1.00 10.00 H new ATOM 647 N ARG A 56 6.710 -2.732 -2.777 1.00 10.00 N ATOM 648 CA ARG A 56 7.252 -3.345 -3.978 1.00 10.00 C ATOM 649 C ARG A 56 6.299 -4.426 -4.498 1.00 10.00 C ATOM 650 O ARG A 56 6.380 -4.843 -5.653 1.00 10.00 O ATOM 651 CB ARG A 56 8.632 -3.940 -3.677 1.00 10.00 C ATOM 652 CG ARG A 56 9.358 -4.464 -4.902 1.00 10.00 C ATOM 653 CD ARG A 56 10.832 -4.697 -4.616 1.00 10.00 C ATOM 654 NE ARG A 56 11.482 -5.449 -5.685 1.00 10.00 N ATOM 655 CZ ARG A 56 12.067 -4.889 -6.744 1.00 10.00 C ATOM 656 NH1 ARG A 56 12.066 -3.566 -6.894 1.00 10.00 N ATOM 657 NH2 ARG A 56 12.651 -5.656 -7.655 1.00 10.00 N ATOM 0 H ARG A 56 7.098 -3.096 -1.907 1.00 10.00 H new ATOM 0 HA ARG A 56 7.359 -2.584 -4.751 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.249 -3.178 -3.200 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.517 -4.753 -2.960 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.897 -5.396 -5.229 1.00 10.00 H new ATOM 0 HG3 ARG A 56 9.253 -3.753 -5.721 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.333 -3.737 -4.491 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.938 -5.238 -3.675 1.00 10.00 H new ATOM 0 HE ARG A 56 11.489 -6.467 -5.618 1.00 10.00 H new ATOM 0 HH11 ARG A 56 11.616 -2.974 -6.196 1.00 10.00 H new ATOM 0 HH12 ARG A 56 12.516 -3.145 -7.707 1.00 10.00 H new ATOM 0 HH21 ARG A 56 12.651 -6.670 -7.544 1.00 10.00 H new ATOM 0 HH22 ARG A 56 13.100 -5.232 -8.467 1.00 10.00 H new ATOM 671 N GLN A 57 5.371 -4.851 -3.648 1.00 10.00 N ATOM 672 CA GLN A 57 4.414 -5.885 -4.022 1.00 10.00 C ATOM 673 C GLN A 57 3.102 -5.273 -4.508 1.00 10.00 C ATOM 674 O GLN A 57 2.470 -5.786 -5.432 1.00 10.00 O ATOM 675 CB GLN A 57 4.157 -6.817 -2.833 1.00 10.00 C ATOM 676 CG GLN A 57 3.588 -8.175 -3.224 1.00 10.00 C ATOM 677 CD GLN A 57 2.076 -8.231 -3.132 1.00 10.00 C ATOM 678 OE1 GLN A 57 1.463 -7.548 -2.313 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.466 -9.047 -3.975 1.00 10.00 N ATOM 0 H GLN A 57 5.261 -4.497 -2.698 1.00 10.00 H new ATOM 0 HA GLN A 57 4.840 -6.462 -4.843 1.00 10.00 H new ATOM 0 HB2 GLN A 57 5.092 -6.968 -2.293 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.467 -6.330 -2.145 1.00 10.00 H new ATOM 0 HG2 GLN A 57 3.894 -8.411 -4.243 1.00 10.00 H new ATOM 0 HG3 GLN A 57 4.015 -8.942 -2.577 1.00 10.00 H new ATOM 0 HE21 GLN A 57 2.012 -9.596 -4.639 1.00 10.00 H new ATOM 0 HE22 GLN A 57 0.449 -9.127 -3.961 1.00 10.00 H new ATOM 688 N ILE A 58 2.694 -4.169 -3.897 1.00 10.00 N ATOM 689 CA ILE A 58 1.450 -3.508 -4.275 1.00 10.00 C ATOM 690 C ILE A 58 1.701 -2.316 -5.193 1.00 10.00 C ATOM 691 O ILE A 58 2.832 -1.850 -5.330 1.00 10.00 O ATOM 692 CB ILE A 58 0.654 -3.038 -3.037 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.558 -2.264 -2.071 1.00 10.00 C ATOM 694 CG2 ILE A 58 0.017 -4.233 -2.341 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.842 -1.764 -0.833 1.00 10.00 C ATOM 0 H ILE A 58 3.203 -3.713 -3.140 1.00 10.00 H new ATOM 0 HA ILE A 58 0.861 -4.250 -4.813 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.137 -2.365 -3.367 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.384 -2.907 -1.767 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.992 -1.414 -2.597 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.542 -3.891 -1.470 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.659 -4.738 -3.031 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.796 -4.927 -2.024 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.546 -1.226 -0.198 1.00 10.00 H new ATOM 0 HD12 ILE A 58 0.033 -1.095 -1.126 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.431 -2.611 -0.283 1.00 10.00 H new ATOM 707 N ARG A 59 0.644 -1.850 -5.847 1.00 10.00 N ATOM 708 CA ARG A 59 0.728 -0.709 -6.754 1.00 10.00 C ATOM 709 C ARG A 59 -0.408 0.268 -6.474 1.00 10.00 C ATOM 710 O ARG A 59 -1.529 -0.148 -6.179 1.00 10.00 O ATOM 711 CB ARG A 59 0.655 -1.167 -8.216 1.00 10.00 C ATOM 712 CG ARG A 59 1.815 -2.049 -8.649 1.00 10.00 C ATOM 713 CD ARG A 59 3.147 -1.331 -8.514 1.00 10.00 C ATOM 714 NE ARG A 59 4.259 -2.133 -9.028 1.00 10.00 N ATOM 715 CZ ARG A 59 4.942 -3.017 -8.299 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.667 -3.179 -7.013 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.920 -3.729 -8.852 1.00 10.00 N ATOM 0 H ARG A 59 -0.291 -2.249 -5.765 1.00 10.00 H new ATOM 0 HA ARG A 59 1.685 -0.215 -6.587 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.277 -1.710 -8.369 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.621 -0.288 -8.860 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.828 -2.956 -8.045 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.671 -2.357 -9.684 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.104 -0.384 -9.052 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.326 -1.094 -7.465 1.00 10.00 H new ATOM 0 HE ARG A 59 4.528 -2.008 -10.004 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.930 -2.626 -6.576 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.193 -3.856 -6.460 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.150 -3.600 -9.837 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.440 -4.404 -8.291 1.00 10.00 H new ATOM 731 N PHE A 60 -0.121 1.557 -6.581 1.00 10.00 N ATOM 732 CA PHE A 60 -1.121 2.584 -6.330 1.00 10.00 C ATOM 733 C PHE A 60 -1.436 3.353 -7.605 1.00 10.00 C ATOM 734 O PHE A 60 -0.533 3.724 -8.356 1.00 10.00 O ATOM 735 CB PHE A 60 -0.635 3.553 -5.251 1.00 10.00 C ATOM 736 CG PHE A 60 -0.713 3.003 -3.855 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.172 2.023 -3.431 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.661 3.476 -2.963 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.110 1.526 -2.146 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.728 2.981 -1.674 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.839 2.004 -1.266 1.00 10.00 C ATOM 0 H PHE A 60 0.798 1.917 -6.840 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.029 2.091 -5.983 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.398 3.830 -5.464 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.227 4.466 -5.304 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.918 1.645 -4.115 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.356 4.240 -3.278 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.805 0.762 -1.828 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.473 3.356 -0.988 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.887 1.615 -0.260 1.00 10.00 H new ATOM 751 N ARG A 61 -2.714 3.596 -7.845 1.00 10.00 N ATOM 752 CA ARG A 61 -3.140 4.318 -9.034 1.00 10.00 C ATOM 753 C ARG A 61 -4.189 5.368 -8.695 1.00 10.00 C ATOM 754 O ARG A 61 -5.061 5.143 -7.862 1.00 10.00 O ATOM 755 CB ARG A 61 -3.699 3.346 -10.084 1.00 10.00 C ATOM 756 CG ARG A 61 -2.630 2.583 -10.844 1.00 10.00 C ATOM 757 CD ARG A 61 -3.232 1.726 -11.945 1.00 10.00 C ATOM 758 NE ARG A 61 -2.201 1.123 -12.792 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.341 0.913 -14.102 1.00 10.00 C ATOM 760 NH1 ARG A 61 -3.476 1.225 -14.711 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.346 0.374 -14.798 1.00 10.00 N ATOM 0 H ARG A 61 -3.475 3.304 -7.232 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.266 4.823 -9.444 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.359 2.633 -9.590 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.308 3.905 -10.795 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -1.919 3.286 -11.277 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.073 1.950 -10.153 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -3.842 0.940 -11.501 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.895 2.336 -12.559 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.322 0.847 -12.354 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -4.247 1.627 -14.178 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -3.579 1.063 -15.713 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -0.475 0.121 -14.331 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.453 0.213 -15.800 1.00 10.00 H new ATOM 775 N PHE A 62 -4.085 6.515 -9.336 1.00 10.00 N ATOM 776 CA PHE A 62 -5.028 7.603 -9.138 1.00 10.00 C ATOM 777 C PHE A 62 -5.486 8.115 -10.490 1.00 10.00 C ATOM 778 O PHE A 62 -4.657 8.453 -11.336 1.00 10.00 O ATOM 779 CB PHE A 62 -4.397 8.746 -8.334 1.00 10.00 C ATOM 780 CG PHE A 62 -5.235 9.995 -8.324 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.390 10.062 -7.561 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.876 11.095 -9.090 1.00 10.00 C ATOM 783 CE1 PHE A 62 -7.170 11.201 -7.564 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.654 12.235 -9.093 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.801 12.289 -8.330 1.00 10.00 C ATOM 0 H PHE A 62 -3.346 6.721 -10.008 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.880 7.227 -8.572 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -4.237 8.415 -7.308 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.417 8.977 -8.751 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.683 9.215 -6.958 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.979 11.059 -9.690 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -8.069 11.241 -6.967 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -5.364 13.085 -9.693 1.00 10.00 H new ATOM 0 HZ PHE A 62 -7.410 13.181 -8.331 1.00 10.00 H new ATOM 795 N ASP A 63 -6.799 8.141 -10.699 1.00 10.00 N ATOM 796 CA ASP A 63 -7.380 8.607 -11.958 1.00 10.00 C ATOM 797 C ASP A 63 -6.852 7.763 -13.119 1.00 10.00 C ATOM 798 O ASP A 63 -6.652 8.254 -14.232 1.00 10.00 O ATOM 799 CB ASP A 63 -7.066 10.095 -12.180 1.00 10.00 C ATOM 800 CG ASP A 63 -7.999 10.758 -13.175 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.106 10.229 -13.415 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.632 11.825 -13.714 1.00 10.00 O ATOM 0 H ASP A 63 -7.487 7.843 -10.008 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.463 8.495 -11.909 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.129 10.620 -11.227 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.039 10.195 -12.532 1.00 10.00 H new ATOM 807 N GLY A 64 -6.611 6.485 -12.832 1.00 10.00 N ATOM 808 CA GLY A 64 -6.110 5.567 -13.838 1.00 10.00 C ATOM 809 C GLY A 64 -4.614 5.696 -14.077 1.00 10.00 C ATOM 810 O GLY A 64 -4.041 4.949 -14.872 1.00 10.00 O ATOM 0 H GLY A 64 -6.756 6.068 -11.912 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.335 4.545 -13.532 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.637 5.743 -14.776 1.00 10.00 H new ATOM 814 N GLN A 65 -3.973 6.626 -13.382 1.00 10.00 N ATOM 815 CA GLN A 65 -2.541 6.851 -13.548 1.00 10.00 C ATOM 816 C GLN A 65 -1.763 6.361 -12.331 1.00 10.00 C ATOM 817 O GLN A 65 -2.173 6.589 -11.197 1.00 10.00 O ATOM 818 CB GLN A 65 -2.266 8.342 -13.761 1.00 10.00 C ATOM 819 CG GLN A 65 -3.032 8.947 -14.925 1.00 10.00 C ATOM 820 CD GLN A 65 -2.544 8.448 -16.268 1.00 10.00 C ATOM 821 OE1 GLN A 65 -3.053 7.463 -16.804 1.00 10.00 O ATOM 822 NE2 GLN A 65 -1.554 9.124 -16.824 1.00 10.00 N ATOM 0 H GLN A 65 -4.420 7.237 -12.698 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.211 6.288 -14.421 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.522 8.883 -12.850 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.198 8.485 -13.927 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.091 8.713 -14.818 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.940 10.033 -14.890 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -1.159 9.935 -16.348 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -1.184 8.835 -17.730 1.00 10.00 H new ATOM 831 N PRO A 66 -0.636 5.666 -12.550 1.00 10.00 N ATOM 832 CA PRO A 66 0.207 5.165 -11.457 1.00 10.00 C ATOM 833 C PRO A 66 0.861 6.308 -10.684 1.00 10.00 C ATOM 834 O PRO A 66 1.282 7.308 -11.273 1.00 10.00 O ATOM 835 CB PRO A 66 1.267 4.317 -12.170 1.00 10.00 C ATOM 836 CG PRO A 66 1.287 4.812 -13.576 1.00 10.00 C ATOM 837 CD PRO A 66 -0.103 5.302 -13.875 1.00 10.00 C ATOM 0 HA PRO A 66 -0.365 4.602 -10.720 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.243 4.431 -11.699 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.015 3.257 -12.130 1.00 10.00 H new ATOM 0 HG2 PRO A 66 2.015 5.614 -13.695 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.574 4.016 -14.263 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -0.090 6.157 -14.550 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.707 4.529 -14.351 1.00 10.00 H new ATOM 845 N ILE A 67 0.943 6.161 -9.371 1.00 10.00 N ATOM 846 CA ILE A 67 1.529 7.189 -8.519 1.00 10.00 C ATOM 847 C ILE A 67 3.022 6.954 -8.307 1.00 10.00 C ATOM 848 O ILE A 67 3.456 5.820 -8.083 1.00 10.00 O ATOM 849 CB ILE A 67 0.817 7.248 -7.149 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.695 7.413 -7.347 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.370 8.386 -6.302 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.479 7.452 -6.053 1.00 10.00 C ATOM 0 H ILE A 67 0.611 5.338 -8.869 1.00 10.00 H new ATOM 0 HA ILE A 67 1.395 8.142 -9.031 1.00 10.00 H new ATOM 0 HB ILE A 67 1.002 6.312 -6.622 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -0.881 8.333 -7.902 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.064 6.591 -7.960 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.854 8.409 -5.342 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.436 8.232 -6.138 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.216 9.333 -6.819 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.540 7.571 -6.274 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.324 6.522 -5.505 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.139 8.291 -5.447 1.00 10.00 H new ATOM 864 N ASN A 68 3.797 8.031 -8.386 1.00 10.00 N ATOM 865 CA ASN A 68 5.239 7.968 -8.197 1.00 10.00 C ATOM 866 C ASN A 68 5.599 8.407 -6.783 1.00 10.00 C ATOM 867 O ASN A 68 4.760 8.945 -6.057 1.00 10.00 O ATOM 868 CB ASN A 68 5.956 8.865 -9.213 1.00 10.00 C ATOM 869 CG ASN A 68 5.903 8.320 -10.627 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.758 7.533 -11.039 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.911 8.748 -11.388 1.00 10.00 N ATOM 0 H ASN A 68 3.443 8.967 -8.582 1.00 10.00 H new ATOM 0 HA ASN A 68 5.561 6.938 -8.349 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.505 9.857 -9.195 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.998 8.983 -8.914 1.00 10.00 H new ATOM 0 HD21 ASN A 68 4.833 8.427 -12.353 1.00 10.00 H new ATOM 0 HD22 ASN A 68 4.223 9.399 -11.010 1.00 10.00 H new ATOM 878 N GLU A 69 6.852 8.198 -6.397 1.00 10.00 N ATOM 879 CA GLU A 69 7.316 8.572 -5.063 1.00 10.00 C ATOM 880 C GLU A 69 7.494 10.087 -4.945 1.00 10.00 C ATOM 881 O GLU A 69 7.649 10.618 -3.845 1.00 10.00 O ATOM 882 CB GLU A 69 8.635 7.868 -4.734 1.00 10.00 C ATOM 883 CG GLU A 69 8.523 6.353 -4.657 1.00 10.00 C ATOM 884 CD GLU A 69 9.661 5.721 -3.880 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.412 5.194 -2.777 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.813 5.748 -4.365 1.00 10.00 O ATOM 0 H GLU A 69 7.566 7.772 -6.987 1.00 10.00 H new ATOM 0 HA GLU A 69 6.556 8.256 -4.348 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.374 8.130 -5.491 1.00 10.00 H new ATOM 0 HB3 GLU A 69 9.008 8.244 -3.781 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.576 6.086 -4.188 1.00 10.00 H new ATOM 0 HG3 GLU A 69 8.506 5.942 -5.667 1.00 10.00 H new ATOM 893 N THR A 70 7.454 10.775 -6.076 1.00 10.00 N ATOM 894 CA THR A 70 7.620 12.222 -6.099 1.00 10.00 C ATOM 895 C THR A 70 6.298 12.942 -6.364 1.00 10.00 C ATOM 896 O THR A 70 6.279 14.115 -6.734 1.00 10.00 O ATOM 897 CB THR A 70 8.643 12.621 -7.179 1.00 10.00 C ATOM 898 OG1 THR A 70 9.033 11.456 -7.920 1.00 10.00 O ATOM 899 CG2 THR A 70 9.871 13.264 -6.551 1.00 10.00 C ATOM 0 H THR A 70 7.308 10.354 -6.993 1.00 10.00 H new ATOM 0 HA THR A 70 7.980 12.523 -5.115 1.00 10.00 H new ATOM 0 HB THR A 70 8.179 13.347 -7.847 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.683 11.709 -8.609 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.579 13.537 -7.333 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.573 14.158 -6.003 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.341 12.558 -5.866 1.00 10.00 H new ATOM 907 N ASP A 71 5.192 12.240 -6.160 1.00 10.00 N ATOM 908 CA ASP A 71 3.877 12.824 -6.385 1.00 10.00 C ATOM 909 C ASP A 71 3.289 13.358 -5.089 1.00 10.00 C ATOM 910 O ASP A 71 3.661 12.923 -3.995 1.00 10.00 O ATOM 911 CB ASP A 71 2.918 11.802 -7.000 1.00 10.00 C ATOM 912 CG ASP A 71 3.075 11.670 -8.502 1.00 10.00 C ATOM 913 OD1 ASP A 71 3.245 12.701 -9.184 1.00 10.00 O ATOM 914 OD2 ASP A 71 3.021 10.530 -9.010 1.00 10.00 O ATOM 0 H ASP A 71 5.178 11.271 -5.841 1.00 10.00 H new ATOM 0 HA ASP A 71 4.004 13.651 -7.083 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.086 10.830 -6.536 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.892 12.092 -6.772 1.00 10.00 H new ATOM 919 N THR A 72 2.380 14.310 -5.219 1.00 10.00 N ATOM 920 CA THR A 72 1.708 14.914 -4.077 1.00 10.00 C ATOM 921 C THR A 72 0.235 15.137 -4.417 1.00 10.00 C ATOM 922 O THR A 72 -0.117 15.214 -5.597 1.00 10.00 O ATOM 923 CB THR A 72 2.359 16.262 -3.692 1.00 10.00 C ATOM 924 OG1 THR A 72 3.063 16.811 -4.813 1.00 10.00 O ATOM 925 CG2 THR A 72 3.318 16.093 -2.527 1.00 10.00 C ATOM 0 H THR A 72 2.086 14.687 -6.120 1.00 10.00 H new ATOM 0 HA THR A 72 1.799 14.237 -3.227 1.00 10.00 H new ATOM 0 HB THR A 72 1.563 16.943 -3.392 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.470 17.665 -4.557 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.761 17.057 -2.278 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.776 15.708 -1.663 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.106 15.392 -2.803 1.00 10.00 H new ATOM 933 N PRO A 73 -0.652 15.228 -3.407 1.00 10.00 N ATOM 934 CA PRO A 73 -2.086 15.447 -3.637 1.00 10.00 C ATOM 935 C PRO A 73 -2.350 16.694 -4.477 1.00 10.00 C ATOM 936 O PRO A 73 -3.167 16.677 -5.396 1.00 10.00 O ATOM 937 CB PRO A 73 -2.655 15.620 -2.225 1.00 10.00 C ATOM 938 CG PRO A 73 -1.689 14.925 -1.336 1.00 10.00 C ATOM 939 CD PRO A 73 -0.340 15.111 -1.968 1.00 10.00 C ATOM 0 HA PRO A 73 -2.540 14.626 -4.192 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.746 16.674 -1.962 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.651 15.184 -2.144 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.711 15.346 -0.331 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.935 13.867 -1.244 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.161 16.003 -1.591 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.319 14.266 -1.767 1.00 10.00 H new ATOM 947 N ALA A 74 -1.631 17.771 -4.174 1.00 10.00 N ATOM 948 CA ALA A 74 -1.787 19.022 -4.906 1.00 10.00 C ATOM 949 C ALA A 74 -1.144 18.937 -6.287 1.00 10.00 C ATOM 950 O ALA A 74 -1.480 19.701 -7.187 1.00 10.00 O ATOM 951 CB ALA A 74 -1.195 20.177 -4.113 1.00 10.00 C ATOM 0 H ALA A 74 -0.936 17.802 -3.428 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.853 19.201 -5.044 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -1.319 21.104 -4.673 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.707 20.260 -3.154 1.00 10.00 H new ATOM 0 HB3 ALA A 74 -0.134 19.995 -3.943 1.00 10.00 H new ATOM 957 N GLN A 75 -0.227 17.991 -6.449 1.00 10.00 N ATOM 958 CA GLN A 75 0.467 17.802 -7.716 1.00 10.00 C ATOM 959 C GLN A 75 -0.432 17.086 -8.718 1.00 10.00 C ATOM 960 O GLN A 75 -0.480 17.447 -9.891 1.00 10.00 O ATOM 961 CB GLN A 75 1.756 17.006 -7.496 1.00 10.00 C ATOM 962 CG GLN A 75 2.478 16.607 -8.776 1.00 10.00 C ATOM 963 CD GLN A 75 2.814 17.792 -9.660 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.005 18.910 -9.178 1.00 10.00 O ATOM 965 NE2 GLN A 75 2.885 17.553 -10.955 1.00 10.00 N ATOM 0 H GLN A 75 0.054 17.341 -5.715 1.00 10.00 H new ATOM 0 HA GLN A 75 0.722 18.781 -8.122 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.434 17.599 -6.881 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.519 16.104 -6.931 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.397 16.080 -8.519 1.00 10.00 H new ATOM 0 HG3 GLN A 75 1.856 15.908 -9.335 1.00 10.00 H new ATOM 0 HE21 GLN A 75 2.719 16.611 -11.310 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.106 18.310 -11.602 1.00 10.00 H new ATOM 974 N LEU A 76 -1.153 16.078 -8.246 1.00 10.00 N ATOM 975 CA LEU A 76 -2.052 15.319 -9.110 1.00 10.00 C ATOM 976 C LEU A 76 -3.438 15.954 -9.147 1.00 10.00 C ATOM 977 O LEU A 76 -4.381 15.373 -9.684 1.00 10.00 O ATOM 978 CB LEU A 76 -2.150 13.868 -8.635 1.00 10.00 C ATOM 979 CG LEU A 76 -0.902 13.016 -8.885 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.110 11.597 -8.378 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.546 12.998 -10.364 1.00 10.00 C ATOM 0 H LEU A 76 -1.135 15.767 -7.275 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.641 15.333 -10.120 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.364 13.866 -7.566 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.998 13.396 -9.131 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.074 13.464 -8.336 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.212 11.008 -8.565 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.313 11.619 -7.307 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.955 11.145 -8.898 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.343 12.387 -10.517 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.376 12.579 -10.933 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.350 14.015 -10.703 1.00 10.00 H new ATOM 993 N GLU A 77 -3.541 17.154 -8.572 1.00 10.00 N ATOM 994 CA GLU A 77 -4.795 17.904 -8.523 1.00 10.00 C ATOM 995 C GLU A 77 -5.917 17.077 -7.903 1.00 10.00 C ATOM 996 O GLU A 77 -7.037 17.030 -8.417 1.00 10.00 O ATOM 997 CB GLU A 77 -5.184 18.389 -9.921 1.00 10.00 C ATOM 998 CG GLU A 77 -4.735 19.811 -10.213 1.00 10.00 C ATOM 999 CD GLU A 77 -5.395 20.826 -9.300 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -4.717 21.343 -8.389 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -6.600 21.099 -9.484 1.00 10.00 O ATOM 0 H GLU A 77 -2.757 17.632 -8.128 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.639 18.774 -7.885 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.750 17.719 -10.664 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -6.267 18.328 -10.030 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -3.653 19.877 -10.102 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -4.965 20.056 -11.250 1.00 10.00 H new ATOM 1008 N MET A 78 -5.601 16.430 -6.794 1.00 10.00 N ATOM 1009 CA MET A 78 -6.564 15.611 -6.084 1.00 10.00 C ATOM 1010 C MET A 78 -7.454 16.502 -5.235 1.00 10.00 C ATOM 1011 O MET A 78 -6.972 17.436 -4.588 1.00 10.00 O ATOM 1012 CB MET A 78 -5.849 14.588 -5.199 1.00 10.00 C ATOM 1013 CG MET A 78 -4.791 13.780 -5.935 1.00 10.00 C ATOM 1014 SD MET A 78 -3.817 12.739 -4.837 1.00 10.00 S ATOM 1015 CE MET A 78 -5.039 11.526 -4.345 1.00 10.00 C ATOM 0 H MET A 78 -4.676 16.458 -6.364 1.00 10.00 H new ATOM 0 HA MET A 78 -7.174 15.071 -6.808 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.381 15.108 -4.363 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.587 13.906 -4.777 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.275 13.155 -6.686 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.126 14.460 -6.467 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.297 11.674 -3.297 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.933 11.640 -4.959 1.00 10.00 H new ATOM 0 HE3 MET A 78 -4.632 10.524 -4.480 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.743 16.222 -5.243 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.693 17.007 -4.484 1.00 10.00 C ATOM 1027 C GLU A 79 -10.146 16.256 -3.241 1.00 10.00 C ATOM 1028 O GLU A 79 -9.677 15.150 -2.959 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.903 17.370 -5.349 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.988 18.853 -5.672 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.887 19.725 -4.435 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -11.514 19.389 -3.408 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -10.168 20.745 -4.481 1.00 10.00 O ATOM 0 H GLU A 79 -9.156 15.453 -5.770 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.197 17.926 -4.171 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.858 16.805 -6.280 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.814 17.065 -4.834 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.189 19.117 -6.364 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.930 19.057 -6.180 1.00 10.00 H new ATOM 1040 N ASP A 80 -11.041 16.873 -2.491 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.561 16.275 -1.275 1.00 10.00 C ATOM 1042 C ASP A 80 -12.427 15.065 -1.595 1.00 10.00 C ATOM 1043 O ASP A 80 -13.270 15.114 -2.497 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.363 17.300 -0.478 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.590 16.868 0.955 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -11.621 16.888 1.744 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -13.736 16.521 1.302 1.00 10.00 O ATOM 0 H ASP A 80 -11.425 17.794 -2.705 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.716 15.944 -0.671 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.838 18.255 -0.488 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.326 17.461 -0.963 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.179 13.984 -0.865 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.906 12.726 -1.005 1.00 10.00 C ATOM 1054 C GLU A 81 -12.512 11.980 -2.274 1.00 10.00 C ATOM 1055 O GLU A 81 -13.260 11.123 -2.754 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.419 12.939 -0.942 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.927 13.186 0.469 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.427 13.036 0.583 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.098 14.003 1.004 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.943 11.949 0.252 1.00 10.00 O ATOM 0 H GLU A 81 -11.455 13.956 -0.147 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.622 12.103 -0.157 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.687 13.787 -1.572 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.921 12.064 -1.355 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.443 12.488 1.152 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.641 14.190 0.783 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.338 12.300 -2.813 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.844 11.616 -4.003 1.00 10.00 C ATOM 1069 C ASP A 82 -10.485 10.182 -3.630 1.00 10.00 C ATOM 1070 O ASP A 82 -10.169 9.903 -2.469 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.629 12.336 -4.594 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.855 12.776 -6.031 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -10.101 11.908 -6.896 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.785 13.992 -6.303 1.00 10.00 O ATOM 0 H ASP A 82 -10.717 13.022 -2.448 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.624 11.618 -4.765 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.395 13.208 -3.983 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.763 11.675 -4.552 1.00 10.00 H new ATOM 1079 N THR A 83 -10.529 9.272 -4.590 1.00 10.00 N ATOM 1080 CA THR A 83 -10.246 7.875 -4.297 1.00 10.00 C ATOM 1081 C THR A 83 -9.025 7.341 -5.047 1.00 10.00 C ATOM 1082 O THR A 83 -8.871 7.541 -6.251 1.00 10.00 O ATOM 1083 CB THR A 83 -11.471 6.999 -4.616 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.656 7.623 -4.095 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.323 5.610 -4.014 1.00 10.00 C ATOM 0 H THR A 83 -10.754 9.470 -5.565 1.00 10.00 H new ATOM 0 HA THR A 83 -10.019 7.826 -3.232 1.00 10.00 H new ATOM 0 HB THR A 83 -11.548 6.898 -5.699 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.436 7.066 -4.300 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.203 5.013 -4.255 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.435 5.129 -4.423 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.225 5.691 -2.931 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.153 6.674 -4.303 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.950 6.069 -4.854 1.00 10.00 C ATOM 1095 C ILE A 84 -7.150 4.560 -4.965 1.00 10.00 C ATOM 1096 O ILE A 84 -7.779 3.954 -4.100 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.720 6.362 -3.964 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.657 7.853 -3.616 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.436 5.921 -4.655 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.630 8.188 -2.554 1.00 10.00 C ATOM 0 H ILE A 84 -8.261 6.537 -3.298 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.768 6.498 -5.840 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.822 5.793 -3.040 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.430 8.419 -4.520 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.639 8.179 -3.274 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.584 6.137 -4.011 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.479 4.850 -4.854 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.325 6.460 -5.596 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.643 9.261 -2.361 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.868 7.651 -1.636 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.639 7.894 -2.900 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.626 3.958 -6.023 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.768 2.521 -6.239 1.00 10.00 C ATOM 1114 C ASP A 85 -5.498 1.772 -5.858 1.00 10.00 C ATOM 1115 O ASP A 85 -4.395 2.317 -5.954 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.109 2.231 -7.702 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.570 2.454 -8.017 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -9.402 1.589 -7.662 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.899 3.487 -8.636 1.00 10.00 O ATOM 0 H ASP A 85 -6.097 4.442 -6.748 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.580 2.174 -5.599 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.502 2.868 -8.345 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.845 1.199 -7.934 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.661 0.521 -5.436 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.538 -0.322 -5.039 1.00 10.00 C ATOM 1126 C VAL A 86 -4.642 -1.691 -5.698 1.00 10.00 C ATOM 1127 O VAL A 86 -5.678 -2.354 -5.621 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.472 -0.509 -3.506 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -3.328 -1.437 -3.125 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.319 0.830 -2.810 1.00 10.00 C ATOM 0 H VAL A 86 -6.570 0.065 -5.360 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.630 0.183 -5.367 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.407 -0.964 -3.180 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -3.300 -1.554 -2.042 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -3.478 -2.410 -3.592 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.385 -1.012 -3.468 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.274 0.677 -1.732 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.401 1.312 -3.146 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.171 1.465 -3.051 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.570 -2.104 -6.352 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.534 -3.393 -7.024 1.00 10.00 C ATOM 1142 C PHE A 87 -2.327 -4.194 -6.554 1.00 10.00 C ATOM 1143 O PHE A 87 -1.390 -3.630 -5.989 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.488 -3.207 -8.545 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.675 -2.464 -9.099 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.855 -3.131 -9.383 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.609 -1.098 -9.332 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.946 -2.451 -9.893 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.696 -0.414 -9.841 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.865 -1.091 -10.118 1.00 10.00 C ATOM 0 H PHE A 87 -2.709 -1.563 -6.432 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.442 -3.941 -6.772 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.578 -2.669 -8.809 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.429 -4.186 -9.020 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.924 -4.194 -9.204 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.697 -0.563 -9.113 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.860 -2.983 -10.115 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.630 0.649 -10.022 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.718 -0.557 -10.511 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.353 -5.499 -6.770 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.248 -6.361 -6.371 1.00 10.00 C ATOM 1162 C GLN A 88 -0.459 -6.805 -7.596 1.00 10.00 C ATOM 1163 O GLN A 88 -1.034 -7.310 -8.562 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.763 -7.586 -5.618 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.055 -7.334 -4.149 1.00 10.00 C ATOM 1166 CD GLN A 88 -2.054 -8.616 -3.342 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -1.346 -9.570 -3.676 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -2.843 -8.654 -2.279 1.00 10.00 N ATOM 0 H GLN A 88 -3.128 -5.987 -7.220 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.594 -5.793 -5.709 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.673 -7.941 -6.102 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -1.026 -8.385 -5.699 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -1.310 -6.650 -3.743 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.024 -6.845 -4.051 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -3.413 -7.843 -2.037 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -2.881 -9.494 -1.702 1.00 10.00 H new ATOM 1177 N GLN A 89 0.851 -6.624 -7.551 1.00 10.00 N ATOM 1178 CA GLN A 89 1.704 -7.005 -8.663 1.00 10.00 C ATOM 1179 C GLN A 89 1.978 -8.505 -8.638 1.00 10.00 C ATOM 1180 O GLN A 89 2.579 -9.023 -7.690 1.00 10.00 O ATOM 1181 CB GLN A 89 3.022 -6.230 -8.620 1.00 10.00 C ATOM 1182 CG GLN A 89 3.798 -6.284 -9.926 1.00 10.00 C ATOM 1183 CD GLN A 89 3.088 -5.558 -11.052 1.00 10.00 C ATOM 1184 OE1 GLN A 89 2.405 -4.559 -10.831 1.00 10.00 O ATOM 1185 NE2 GLN A 89 3.240 -6.060 -12.265 1.00 10.00 N ATOM 0 H GLN A 89 1.345 -6.216 -6.757 1.00 10.00 H new ATOM 0 HA GLN A 89 1.185 -6.760 -9.589 1.00 10.00 H new ATOM 0 HB2 GLN A 89 2.815 -5.189 -8.372 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.644 -6.630 -7.820 1.00 10.00 H new ATOM 0 HG2 GLN A 89 4.784 -5.843 -9.778 1.00 10.00 H new ATOM 0 HG3 GLN A 89 3.954 -7.325 -10.210 1.00 10.00 H new ATOM 0 HE21 GLN A 89 3.815 -6.890 -12.405 1.00 10.00 H new ATOM 0 HE22 GLN A 89 2.782 -5.617 -13.061 1.00 10.00 H new ATOM 1194 N GLN A 90 1.523 -9.196 -9.678 1.00 10.00 N ATOM 1195 CA GLN A 90 1.715 -10.635 -9.791 1.00 10.00 C ATOM 1196 C GLN A 90 3.193 -10.971 -9.958 1.00 10.00 C ATOM 1197 O GLN A 90 3.960 -10.188 -10.519 1.00 10.00 O ATOM 1198 CB GLN A 90 0.923 -11.194 -10.978 1.00 10.00 C ATOM 1199 CG GLN A 90 -0.551 -10.814 -10.978 1.00 10.00 C ATOM 1200 CD GLN A 90 -0.873 -9.741 -12.001 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -0.199 -9.622 -13.024 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -1.904 -8.956 -11.738 1.00 10.00 N ATOM 0 H GLN A 90 1.016 -8.778 -10.458 1.00 10.00 H new ATOM 0 HA GLN A 90 1.350 -11.094 -8.872 1.00 10.00 H new ATOM 0 HB2 GLN A 90 1.378 -10.840 -11.903 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.007 -12.281 -10.977 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -1.152 -11.700 -11.184 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.832 -10.462 -9.986 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -2.438 -9.086 -10.879 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -2.165 -8.220 -12.394 1.00 10.00 H new ATOM 1211 N THR A 91 3.589 -12.131 -9.463 1.00 10.00 N ATOM 1212 CA THR A 91 4.971 -12.568 -9.566 1.00 10.00 C ATOM 1213 C THR A 91 5.080 -13.753 -10.523 1.00 10.00 C ATOM 1214 O THR A 91 6.166 -14.273 -10.780 1.00 10.00 O ATOM 1215 CB THR A 91 5.531 -12.949 -8.180 1.00 10.00 C ATOM 1216 OG1 THR A 91 4.931 -12.109 -7.183 1.00 10.00 O ATOM 1217 CG2 THR A 91 7.045 -12.784 -8.138 1.00 10.00 C ATOM 0 H THR A 91 2.972 -12.788 -8.985 1.00 10.00 H new ATOM 0 HA THR A 91 5.563 -11.741 -9.958 1.00 10.00 H new ATOM 0 HB THR A 91 5.295 -13.995 -7.984 1.00 10.00 H new ATOM 0 HG1 THR A 91 5.282 -12.348 -6.300 1.00 10.00 H new ATOM 0 HG21 THR A 91 7.414 -13.059 -7.150 1.00 10.00 H new ATOM 0 HG22 THR A 91 7.502 -13.429 -8.888 1.00 10.00 H new ATOM 0 HG23 THR A 91 7.304 -11.746 -8.346 1.00 10.00 H new ATOM 1225 N GLY A 92 3.943 -14.163 -11.059 1.00 10.00 N ATOM 1226 CA GLY A 92 3.910 -15.274 -11.981 1.00 10.00 C ATOM 1227 C GLY A 92 2.786 -15.119 -12.976 1.00 10.00 C ATOM 1228 O GLY A 92 1.762 -14.499 -12.614 1.00 10.00 O ATOM 0 H GLY A 92 3.034 -13.741 -10.869 1.00 10.00 H new ATOM 0 HA2 GLY A 92 4.861 -15.341 -12.509 1.00 10.00 H new ATOM 0 HA3 GLY A 92 3.786 -16.206 -11.429 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.125 -2.904 4.948 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.422 -1.609 5.072 1.00 10.00 C ATOM 1235 C ASN B 357 -17.426 -1.649 6.219 1.00 10.00 C ATOM 1236 O ASN B 357 -17.804 -1.721 7.387 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.429 -0.472 5.298 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.766 0.878 5.547 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.654 1.136 5.083 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -19.451 1.754 6.274 1.00 10.00 N ATOM 0 HA ASN B 357 -17.882 -1.426 4.143 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.081 -0.394 4.428 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -20.063 -0.721 6.149 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -19.059 2.676 6.465 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -20.369 1.504 6.642 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.153 -1.597 5.880 1.00 10.00 N ATOM 1248 CA ASN B 358 -15.099 -1.600 6.874 1.00 10.00 C ATOM 1249 C ASN B 358 -14.348 -0.290 6.783 1.00 10.00 C ATOM 1250 O ASN B 358 -13.901 0.096 5.706 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.136 -2.772 6.651 1.00 10.00 C ATOM 1252 CG ASN B 358 -13.113 -2.914 7.764 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -13.394 -3.507 8.807 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.918 -2.382 7.550 1.00 10.00 N ATOM 0 H ASN B 358 -15.822 -1.552 4.916 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.540 -1.715 7.864 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.708 -3.696 6.570 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.617 -2.634 5.702 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -11.192 -2.456 8.262 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.725 -1.899 6.673 1.00 10.00 H new ATOM 1261 N ARG B 359 -14.198 0.380 7.906 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.516 1.653 7.925 1.00 10.00 C ATOM 1263 C ARG B 359 -12.273 1.560 8.778 1.00 10.00 C ATOM 1264 O ARG B 359 -12.306 1.095 9.921 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.442 2.768 8.433 1.00 10.00 C ATOM 1266 CG ARG B 359 -15.073 2.488 9.792 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.943 3.647 10.244 1.00 10.00 C ATOM 1268 NE ARG B 359 -16.607 3.372 11.516 1.00 10.00 N ATOM 1269 CZ ARG B 359 -17.203 4.298 12.264 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.249 5.560 11.854 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -17.763 3.956 13.416 1.00 10.00 N ATOM 0 H ARG B 359 -14.539 0.064 8.814 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.225 1.904 6.905 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.874 3.697 8.493 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.235 2.926 7.703 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.673 1.580 9.737 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -14.290 2.309 10.529 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.330 4.543 10.342 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.693 3.855 9.481 1.00 10.00 H new ATOM 0 HE ARG B 359 -16.614 2.409 11.852 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.827 5.823 10.963 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.706 6.267 12.430 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -17.737 2.985 13.728 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -18.220 4.664 13.991 1.00 10.00 H new ATOM 1285 N ASP B 360 -11.175 1.973 8.183 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.878 1.976 8.828 1.00 10.00 C ATOM 1287 C ASP B 360 -9.337 3.392 8.818 1.00 10.00 C ATOM 1288 O ASP B 360 -9.455 4.088 7.811 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.906 1.023 8.135 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.670 0.773 8.975 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.582 1.265 8.611 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.791 0.101 10.025 1.00 10.00 O ATOM 0 H ASP B 360 -11.157 2.321 7.224 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.989 1.627 9.855 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.407 0.076 7.934 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.613 1.440 7.171 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.761 3.875 9.917 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.268 5.226 9.976 1.00 10.00 C ATOM 1299 C PRO B 361 -6.752 5.304 9.987 1.00 10.00 C ATOM 1300 O PRO B 361 -6.065 4.711 10.826 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.812 5.653 11.336 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.778 4.399 12.173 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.620 3.224 11.218 1.00 10.00 C ATOM 0 HA PRO B 361 -8.567 5.832 9.121 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.201 6.440 11.777 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.825 6.045 11.252 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.951 4.432 12.882 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.694 4.301 12.756 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.652 2.735 11.328 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.382 2.461 11.378 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.239 6.080 9.054 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.819 6.267 8.920 1.00 10.00 C ATOM 1313 C ILE B 362 -4.491 7.735 9.109 1.00 10.00 C ATOM 1314 O ILE B 362 -5.101 8.613 8.502 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.289 5.757 7.558 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -4.780 4.319 7.321 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.764 5.817 7.527 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -4.051 3.575 6.220 1.00 10.00 C ATOM 0 H ILE B 362 -6.797 6.594 8.372 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.321 5.676 9.689 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.670 6.396 6.762 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.679 3.757 8.250 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -5.843 4.347 7.080 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.405 5.455 6.563 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.437 6.847 7.673 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.359 5.192 8.323 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.464 2.571 6.124 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.173 4.109 5.278 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.991 3.509 6.465 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.534 7.988 9.970 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.123 9.342 10.275 1.00 10.00 C ATOM 1332 C VAL B 363 -1.686 9.537 9.858 1.00 10.00 C ATOM 1333 O VAL B 363 -0.832 8.672 10.068 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.291 9.694 11.768 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -3.095 11.191 11.981 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.660 9.251 12.274 1.00 10.00 C ATOM 0 H VAL B 363 -3.020 7.268 10.477 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.774 10.014 9.716 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.531 9.161 12.339 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -3.216 11.427 13.038 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -2.094 11.477 11.658 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.835 11.741 11.399 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.759 9.508 13.329 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.440 9.755 11.703 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.761 8.173 12.152 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.444 10.671 9.258 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.144 11.018 8.747 1.00 10.00 C ATOM 1348 C ILE B 364 0.438 12.143 9.574 1.00 10.00 C ATOM 1349 O ILE B 364 -0.271 13.055 9.998 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.196 11.426 7.241 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.240 10.265 6.337 1.00 10.00 C ATOM 1352 CG2 ILE B 364 0.658 12.660 6.949 1.00 10.00 C ATOM 1353 CD1 ILE B 364 1.151 9.268 7.018 1.00 10.00 C ATOM 0 H ILE B 364 -2.152 11.389 9.108 1.00 10.00 H new ATOM 0 HA ILE B 364 0.493 10.136 8.820 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.234 11.676 7.022 1.00 10.00 H new ATOM 0 HG12 ILE B 364 -0.647 9.745 5.977 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.749 10.670 5.462 1.00 10.00 H new ATOM 0 HG21 ILE B 364 0.591 12.906 5.889 1.00 10.00 H new ATOM 0 HG22 ILE B 364 0.296 13.501 7.541 1.00 10.00 H new ATOM 0 HG23 ILE B 364 1.696 12.454 7.209 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.416 8.478 6.315 1.00 10.00 H new ATOM 0 HD12 ILE B 364 2.057 9.773 7.354 1.00 10.00 H new ATOM 0 HD13 ILE B 364 0.638 8.834 7.876 1.00 10.00 H new HETATM 1365 N SEP B 365 1.726 12.052 9.824 1.00 10.00 N HETATM 1366 CA SEP B 365 2.423 13.038 10.607 1.00 10.00 C HETATM 1367 CB SEP B 365 3.388 12.320 11.557 1.00 10.00 C HETATM 1368 OG SEP B 365 3.172 10.908 11.525 1.00 10.00 O HETATM 1369 C SEP B 365 3.182 13.899 9.629 1.00 10.00 C HETATM 1370 O SEP B 365 3.923 13.409 8.782 1.00 10.00 O HETATM 1371 P SEP B 365 4.057 9.950 10.581 1.00 10.00 P HETATM 1372 O1P SEP B 365 4.171 8.562 11.072 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.344 10.533 10.143 1.00 10.00 O HETATM 1374 O3P SEP B 365 3.212 9.807 9.235 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.417 12.542 11.274 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.250 12.691 12.573 1.00 10.00 H new HETATM 0 HA SEP B 365 1.745 13.647 11.206 1.00 10.00 H new HETATM 0 H SEP B 365 1.921 11.060 9.962 1.00 10.00 H new ATOM 1379 N ASP B 366 3.007 15.197 9.765 1.00 10.00 N ATOM 1380 CA ASP B 366 3.575 16.127 8.814 1.00 10.00 C ATOM 1381 C ASP B 366 4.636 17.011 9.444 1.00 10.00 C ATOM 1382 O ASP B 366 4.414 17.622 10.494 1.00 10.00 O ATOM 1383 CB ASP B 366 2.438 16.990 8.250 1.00 10.00 C ATOM 1384 CG ASP B 366 2.873 17.898 7.129 1.00 10.00 C ATOM 1385 OD1 ASP B 366 2.860 19.132 7.328 1.00 10.00 O ATOM 1386 OD2 ASP B 366 3.198 17.387 6.040 1.00 10.00 O ATOM 0 H ASP B 366 2.478 15.630 10.522 1.00 10.00 H new ATOM 0 HA ASP B 366 4.064 15.562 8.020 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.641 16.338 7.891 1.00 10.00 H new ATOM 0 HB3 ASP B 366 2.018 17.594 9.054 1.00 10.00 H new HETATM 1391 N SEP B 367 5.789 17.059 8.790 1.00 10.00 N HETATM 1392 CA SEP B 367 6.912 17.854 9.244 1.00 10.00 C HETATM 1393 CB SEP B 367 8.145 17.488 8.418 1.00 10.00 C HETATM 1394 OG SEP B 367 7.827 16.485 7.458 1.00 10.00 O HETATM 1395 C SEP B 367 6.607 19.347 9.110 1.00 10.00 C HETATM 1396 O SEP B 367 6.315 19.836 8.019 1.00 10.00 O HETATM 1397 P SEP B 367 8.373 14.995 7.635 1.00 10.00 P HETATM 1398 O1P SEP B 367 9.396 14.619 6.645 1.00 10.00 O HETATM 1399 O2P SEP B 367 8.730 14.643 9.019 1.00 10.00 O HETATM 1400 O3P SEP B 367 7.125 14.054 7.298 1.00 10.00 O HETATM 0 HB3 SEP B 367 8.527 18.375 7.912 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.937 17.131 9.076 1.00 10.00 H new HETATM 0 HA SEP B 367 7.100 17.644 10.297 1.00 10.00 H new HETATM 0 H SEP B 367 5.912 16.389 8.031 1.00 10.00 H new ATOM 1405 N PRO B 368 6.642 20.083 10.227 1.00 10.00 N ATOM 1406 CA PRO B 368 6.367 21.517 10.231 1.00 10.00 C ATOM 1407 C PRO B 368 7.373 22.297 9.398 1.00 10.00 C ATOM 1408 O PRO B 368 6.941 23.122 8.567 1.00 10.00 O ATOM 1409 CB PRO B 368 6.474 21.914 11.704 1.00 10.00 C ATOM 1410 CG PRO B 368 7.237 20.817 12.357 1.00 10.00 C ATOM 1411 CD PRO B 368 6.945 19.573 11.572 1.00 10.00 C ATOM 0 HA PRO B 368 5.393 21.739 9.794 1.00 10.00 H new ATOM 0 HB2 PRO B 368 6.986 22.869 11.817 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.487 22.027 12.153 1.00 10.00 H new ATOM 0 HG2 PRO B 368 8.305 21.034 12.358 1.00 10.00 H new ATOM 0 HG3 PRO B 368 6.935 20.700 13.398 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.798 18.895 11.562 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.104 19.021 11.992 1.00 10.00 H new TER 1419 PRO B 368