USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1153 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: B 39 GLN : amide:sc= 0.397 K(o=0.83,f=-1.4) USER MOD Set 1.2: B 40 LYS NZ :NH3+ -170:sc= 0.431 (180deg=-0.042) USER MOD Set 2.1: B 30 SER OG : rot 180:sc= 0.544 USER MOD Set 2.2: B 63 ASN : amide:sc= 0.0142 K(o=0.56,f=-1.7!) USER MOD Set 3.1: A 71 GLN : amide:sc= -1.31 K(o=0.16,f=-2.2!) USER MOD Set 3.2: B 75 THR OG1 : rot 76:sc= 1.48 USER MOD Single : A 3 SER OG : rot 179:sc= 1.36 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.0371 K(o=-0.037,f=-0.6) USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0166) USER MOD Single : A 19 TYR OH : rot 17:sc= 1.25 USER MOD Single : A 20 SER OG : rot -179:sc= 1.32 USER MOD Single : A 28 THR OG1 : rot -21:sc= 0.746 USER MOD Single : A 30 SER OG : rot -51:sc= 1.2 USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.079) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -137:sc= -0.0685 (180deg=-0.148) USER MOD Single : A 57 MET CE :methyl -112:sc= -0.0713 (180deg=-0.697) USER MOD Single : A 69 ASN : amide:sc= 1.42 K(o=1.4,f=-3.8!) USER MOD Single : A 73 TYR OH : rot 156:sc= 1.05 USER MOD Single : A 75 THR OG1 : rot 70:sc= 1.09 USER MOD Single : A 82 MET CE :methyl -170:sc=-0.00455 (180deg=-0.159) USER MOD Single : A 84 TYR OH : rot 21:sc= 1.24 USER MOD Single : A 85 ASN : amide:sc= -0.0033 K(o=-0.0033,f=-1.3) USER MOD Single : B 3 SER OG : rot 180:sc= 0.106 USER MOD Single : B 7 GLN : amide:sc= -0.0408 X(o=-0.041,f=-0.18) USER MOD Single : B 17 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 18 LYS NZ :NH3+ -160:sc= 0.641 (180deg=0.441) USER MOD Single : B 19 TYR OH : rot 9:sc= 1.26 USER MOD Single : B 20 SER OG : rot 77:sc= 1.03 USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0128) USER MOD Single : B 32 LYS NZ :NH3+ 146:sc= 0.963 (180deg=0.276) USER MOD Single : B 35 LYS NZ :NH3+ -129:sc= 0.158 (180deg=-0.246) USER MOD Single : B 55 LYS NZ :NH3+ -139:sc= -0.0806 (180deg=-0.398) USER MOD Single : B 57 MET CE :methyl 160:sc= -0.036 (180deg=-0.777) USER MOD Single : B 69 ASN : amide:sc= 0.217 K(o=0.22,f=-6.4!) USER MOD Single : B 71 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.9!) USER MOD Single : B 73 TYR OH : rot 152:sc= 1.08 USER MOD Single : B 82 MET CE :methyl -175:sc= 0 (180deg=-0.0485) USER MOD Single : B 84 TYR OH : rot 36:sc= 1.09 USER MOD Single : B 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -6.332 -6.978 -9.149 1.00 0.00 N ATOM 21 CA ALA A 2 -6.163 -5.969 -8.117 1.00 0.00 C ATOM 22 C ALA A 2 -7.337 -6.086 -7.147 1.00 0.00 C ATOM 23 O ALA A 2 -8.478 -5.835 -7.527 1.00 0.00 O ATOM 24 CB ALA A 2 -6.101 -4.577 -8.753 1.00 0.00 C ATOM 0 HA ALA A 2 -5.230 -6.121 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.974 -3.826 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.259 -4.529 -9.443 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.026 -4.384 -9.296 1.00 0.00 H new ATOM 30 N SER A 3 -7.069 -6.503 -5.908 1.00 0.00 N ATOM 31 CA SER A 3 -8.068 -6.566 -4.857 1.00 0.00 C ATOM 32 C SER A 3 -8.402 -5.154 -4.364 1.00 0.00 C ATOM 33 O SER A 3 -7.682 -4.213 -4.699 1.00 0.00 O ATOM 34 CB SER A 3 -7.462 -7.397 -3.724 1.00 0.00 C ATOM 35 OG SER A 3 -6.205 -6.872 -3.338 1.00 0.00 O ATOM 0 H SER A 3 -6.142 -6.808 -5.610 1.00 0.00 H new ATOM 0 HA SER A 3 -8.993 -7.016 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.138 -7.403 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.346 -8.432 -4.046 1.00 0.00 H new ATOM 0 HG SER A 3 -5.842 -7.403 -2.599 1.00 0.00 H new ATOM 41 N PRO A 4 -9.441 -4.982 -3.528 1.00 0.00 N ATOM 42 CA PRO A 4 -9.675 -3.729 -2.826 1.00 0.00 C ATOM 43 C PRO A 4 -8.401 -3.263 -2.112 1.00 0.00 C ATOM 44 O PRO A 4 -8.034 -2.094 -2.209 1.00 0.00 O ATOM 45 CB PRO A 4 -10.824 -4.006 -1.854 1.00 0.00 C ATOM 46 CG PRO A 4 -11.604 -5.110 -2.568 1.00 0.00 C ATOM 47 CD PRO A 4 -10.496 -5.937 -3.218 1.00 0.00 C ATOM 0 HA PRO A 4 -9.940 -2.919 -3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.461 -4.331 -0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.436 -3.120 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.196 -5.703 -1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.294 -4.705 -3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.138 -6.715 -2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.853 -6.436 -4.119 1.00 0.00 H new ATOM 55 N LEU A 5 -7.699 -4.189 -1.442 1.00 0.00 N ATOM 56 CA LEU A 5 -6.374 -3.909 -0.907 1.00 0.00 C ATOM 57 C LEU A 5 -5.441 -3.365 -1.981 1.00 0.00 C ATOM 58 O LEU A 5 -4.933 -2.259 -1.829 1.00 0.00 O ATOM 59 CB LEU A 5 -5.730 -5.145 -0.250 1.00 0.00 C ATOM 60 CG LEU A 5 -5.755 -5.182 1.285 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.791 -6.288 1.733 1.00 0.00 C ATOM 62 CD2 LEU A 5 -5.281 -3.873 1.937 1.00 0.00 C ATOM 0 H LEU A 5 -8.034 -5.136 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.518 -3.150 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.236 -6.035 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.692 -5.207 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.787 -5.349 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.782 -6.344 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.118 -7.244 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.787 -6.063 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.325 -3.970 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.255 -3.665 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.927 -3.054 1.620 1.00 0.00 H new ATOM 74 N ASP A 6 -5.174 -4.133 -3.043 1.00 0.00 N ATOM 75 CA ASP A 6 -4.191 -3.710 -4.035 1.00 0.00 C ATOM 76 C ASP A 6 -4.551 -2.343 -4.622 1.00 0.00 C ATOM 77 O ASP A 6 -3.676 -1.509 -4.830 1.00 0.00 O ATOM 78 CB ASP A 6 -4.037 -4.755 -5.139 1.00 0.00 C ATOM 79 CG ASP A 6 -2.840 -4.425 -6.026 1.00 0.00 C ATOM 80 OD1 ASP A 6 -1.700 -4.581 -5.528 1.00 0.00 O ATOM 81 OD2 ASP A 6 -3.088 -4.020 -7.181 1.00 0.00 O ATOM 0 H ASP A 6 -5.617 -5.032 -3.232 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.231 -3.614 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.908 -5.743 -4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.944 -4.792 -5.742 1.00 0.00 H new ATOM 86 N GLN A 7 -5.842 -2.103 -4.861 1.00 0.00 N ATOM 87 CA GLN A 7 -6.354 -0.824 -5.327 1.00 0.00 C ATOM 88 C GLN A 7 -6.054 0.283 -4.309 1.00 0.00 C ATOM 89 O GLN A 7 -5.525 1.330 -4.671 1.00 0.00 O ATOM 90 CB GLN A 7 -7.857 -0.960 -5.604 1.00 0.00 C ATOM 91 CG GLN A 7 -8.432 0.291 -6.279 1.00 0.00 C ATOM 92 CD GLN A 7 -9.935 0.161 -6.509 1.00 0.00 C ATOM 93 OE1 GLN A 7 -10.720 0.938 -5.978 1.00 0.00 O ATOM 94 NE2 GLN A 7 -10.352 -0.824 -7.299 1.00 0.00 N ATOM 0 H GLN A 7 -6.569 -2.807 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.856 -0.540 -6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.031 -1.828 -6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.384 -1.141 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.232 1.165 -5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.930 0.455 -7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.675 -1.455 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.349 -0.948 -7.477 1.00 0.00 H new ATOM 103 N ALA A 8 -6.398 0.069 -3.037 1.00 0.00 N ATOM 104 CA ALA A 8 -6.196 1.047 -1.974 1.00 0.00 C ATOM 105 C ALA A 8 -4.705 1.360 -1.779 1.00 0.00 C ATOM 106 O ALA A 8 -4.302 2.520 -1.681 1.00 0.00 O ATOM 107 CB ALA A 8 -6.845 0.522 -0.697 1.00 0.00 C ATOM 0 H ALA A 8 -6.829 -0.798 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.669 1.990 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.702 1.244 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.912 0.373 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.386 -0.427 -0.419 1.00 0.00 H new ATOM 113 N ILE A 9 -3.872 0.321 -1.759 1.00 0.00 N ATOM 114 CA ILE A 9 -2.422 0.453 -1.772 1.00 0.00 C ATOM 115 C ILE A 9 -2.029 1.302 -2.988 1.00 0.00 C ATOM 116 O ILE A 9 -1.333 2.305 -2.848 1.00 0.00 O ATOM 117 CB ILE A 9 -1.778 -0.949 -1.774 1.00 0.00 C ATOM 118 CG1 ILE A 9 -2.049 -1.667 -0.437 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.269 -0.859 -2.022 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.719 -3.163 -0.489 1.00 0.00 C ATOM 0 H ILE A 9 -4.192 -0.647 -1.733 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.056 0.960 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.227 -1.524 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.459 -1.196 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.097 -1.540 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.161 -1.861 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.086 -0.389 -2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.194 -0.263 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.929 -3.616 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.328 -3.644 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.664 -3.295 -0.730 1.00 0.00 H new ATOM 132 N GLY A 10 -2.513 0.915 -4.170 1.00 0.00 N ATOM 133 CA GLY A 10 -2.347 1.635 -5.423 1.00 0.00 C ATOM 134 C GLY A 10 -2.655 3.122 -5.271 1.00 0.00 C ATOM 135 O GLY A 10 -1.874 3.959 -5.713 1.00 0.00 O ATOM 0 H GLY A 10 -3.052 0.056 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.325 1.511 -5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.003 1.204 -6.179 1.00 0.00 H new ATOM 139 N LEU A 11 -3.777 3.462 -4.633 1.00 0.00 N ATOM 140 CA LEU A 11 -4.127 4.837 -4.309 1.00 0.00 C ATOM 141 C LEU A 11 -3.003 5.500 -3.506 1.00 0.00 C ATOM 142 O LEU A 11 -2.506 6.542 -3.920 1.00 0.00 O ATOM 143 CB LEU A 11 -5.487 4.888 -3.588 1.00 0.00 C ATOM 144 CG LEU A 11 -6.658 5.025 -4.576 1.00 0.00 C ATOM 145 CD1 LEU A 11 -7.912 4.307 -4.064 1.00 0.00 C ATOM 146 CD2 LEU A 11 -6.986 6.508 -4.778 1.00 0.00 C ATOM 0 H LEU A 11 -4.471 2.781 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.236 5.410 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.617 3.983 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.498 5.728 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.356 4.567 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.719 4.425 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.696 3.247 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.214 4.738 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.816 6.605 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.264 6.953 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.112 7.023 -5.177 1.00 0.00 H new ATOM 158 N LEU A 12 -2.571 4.920 -2.382 1.00 0.00 N ATOM 159 CA LEU A 12 -1.508 5.524 -1.572 1.00 0.00 C ATOM 160 C LEU A 12 -0.208 5.703 -2.378 1.00 0.00 C ATOM 161 O LEU A 12 0.426 6.761 -2.297 1.00 0.00 O ATOM 162 CB LEU A 12 -1.280 4.740 -0.268 1.00 0.00 C ATOM 163 CG LEU A 12 -2.180 5.228 0.885 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.667 5.085 0.567 1.00 0.00 C ATOM 165 CD2 LEU A 12 -1.900 4.432 2.163 1.00 0.00 C ATOM 0 H LEU A 12 -2.937 4.041 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.840 6.523 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.469 3.682 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.235 4.832 0.028 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.945 6.283 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.256 5.443 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.908 5.673 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.900 4.037 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.545 4.792 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.098 3.375 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.857 4.562 2.451 1.00 0.00 H new ATOM 177 N ILE A 13 0.191 4.688 -3.153 1.00 0.00 N ATOM 178 CA ILE A 13 1.341 4.768 -4.059 1.00 0.00 C ATOM 179 C ILE A 13 1.173 5.944 -5.030 1.00 0.00 C ATOM 180 O ILE A 13 2.043 6.810 -5.134 1.00 0.00 O ATOM 181 CB ILE A 13 1.519 3.445 -4.838 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.868 2.289 -3.884 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.603 3.577 -5.926 1.00 0.00 C ATOM 184 CD1 ILE A 13 1.916 0.944 -4.618 1.00 0.00 C ATOM 0 H ILE A 13 -0.278 3.783 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 13 2.237 4.934 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 13 0.570 3.223 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.833 2.483 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.129 2.241 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.704 2.630 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.318 4.358 -6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.555 3.836 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.165 0.153 -3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.943 0.738 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.674 0.983 -5.401 1.00 0.00 H new ATOM 196 N GLY A 14 0.064 5.947 -5.770 1.00 0.00 N ATOM 197 CA GLY A 14 -0.232 6.935 -6.791 1.00 0.00 C ATOM 198 C GLY A 14 -0.189 8.333 -6.192 1.00 0.00 C ATOM 199 O GLY A 14 0.493 9.210 -6.711 1.00 0.00 O ATOM 0 H GLY A 14 -0.667 5.243 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.490 6.857 -7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.216 6.744 -7.219 1.00 0.00 H new ATOM 203 N ILE A 15 -0.889 8.522 -5.073 1.00 0.00 N ATOM 204 CA ILE A 15 -0.876 9.763 -4.321 1.00 0.00 C ATOM 205 C ILE A 15 0.562 10.171 -4.004 1.00 0.00 C ATOM 206 O ILE A 15 0.919 11.325 -4.215 1.00 0.00 O ATOM 207 CB ILE A 15 -1.729 9.627 -3.048 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.232 9.524 -3.377 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.450 10.803 -2.107 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.905 10.861 -3.696 1.00 0.00 C ATOM 0 H ILE A 15 -1.487 7.804 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.318 10.555 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.449 8.700 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.360 8.855 -4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.745 9.066 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.057 10.701 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.395 10.808 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.699 11.738 -2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.960 10.694 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.814 11.528 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.422 11.314 -4.562 1.00 0.00 H new ATOM 222 N PHE A 16 1.390 9.248 -3.502 1.00 0.00 N ATOM 223 CA PHE A 16 2.786 9.567 -3.233 1.00 0.00 C ATOM 224 C PHE A 16 3.446 10.108 -4.502 1.00 0.00 C ATOM 225 O PHE A 16 3.830 11.276 -4.569 1.00 0.00 O ATOM 226 CB PHE A 16 3.532 8.338 -2.694 1.00 0.00 C ATOM 227 CG PHE A 16 4.939 8.622 -2.209 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.134 9.436 -1.078 1.00 0.00 C ATOM 229 CD2 PHE A 16 6.051 8.053 -2.859 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.426 9.639 -0.568 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.346 8.277 -2.360 1.00 0.00 C ATOM 232 CZ PHE A 16 7.534 9.072 -1.216 1.00 0.00 C ATOM 0 H PHE A 16 1.119 8.291 -3.279 1.00 0.00 H new ATOM 0 HA PHE A 16 2.833 10.338 -2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.957 7.911 -1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.577 7.583 -3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.287 9.906 -0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.909 7.445 -3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.567 10.232 0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.198 7.837 -2.857 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.530 9.246 -0.836 1.00 0.00 H new ATOM 242 N HIS A 17 3.557 9.262 -5.530 1.00 0.00 N ATOM 243 CA HIS A 17 4.301 9.615 -6.729 1.00 0.00 C ATOM 244 C HIS A 17 3.717 10.826 -7.461 1.00 0.00 C ATOM 245 O HIS A 17 4.480 11.549 -8.095 1.00 0.00 O ATOM 246 CB HIS A 17 4.484 8.398 -7.640 1.00 0.00 C ATOM 247 CG HIS A 17 5.533 7.429 -7.144 1.00 0.00 C ATOM 248 ND1 HIS A 17 6.759 7.759 -6.600 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.513 6.069 -7.308 1.00 0.00 C ATOM 250 CE1 HIS A 17 7.452 6.621 -6.436 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.736 5.565 -6.858 1.00 0.00 N ATOM 0 H HIS A 17 3.140 8.331 -5.550 1.00 0.00 H new ATOM 0 HA HIS A 17 5.294 9.931 -6.410 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.532 7.876 -7.732 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.758 8.739 -8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.697 5.489 -7.713 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.448 6.562 -6.022 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.028 4.588 -6.851 1.00 0.00 H new ATOM 259 N LYS A 18 2.414 11.101 -7.338 1.00 0.00 N ATOM 260 CA LYS A 18 1.810 12.326 -7.856 1.00 0.00 C ATOM 261 C LYS A 18 2.610 13.562 -7.424 1.00 0.00 C ATOM 262 O LYS A 18 2.721 14.512 -8.197 1.00 0.00 O ATOM 263 CB LYS A 18 0.342 12.407 -7.407 1.00 0.00 C ATOM 264 CG LYS A 18 -0.382 13.663 -7.909 1.00 0.00 C ATOM 265 CD LYS A 18 -1.856 13.613 -7.484 1.00 0.00 C ATOM 266 CE LYS A 18 -2.570 14.944 -7.746 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.582 15.290 -9.179 1.00 0.00 N ATOM 0 H LYS A 18 1.751 10.478 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 18 1.834 12.303 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.188 11.524 -7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.301 12.384 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.094 14.556 -7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.308 13.728 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.364 12.815 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.920 13.369 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.594 14.885 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.076 15.737 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.132 16.161 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.607 15.439 -9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.016 14.515 -9.720 1.00 0.00 H new ATOM 281 N TYR A 19 3.165 13.555 -6.205 1.00 0.00 N ATOM 282 CA TYR A 19 3.998 14.640 -5.707 1.00 0.00 C ATOM 283 C TYR A 19 5.472 14.235 -5.755 1.00 0.00 C ATOM 284 O TYR A 19 6.277 14.918 -6.388 1.00 0.00 O ATOM 285 CB TYR A 19 3.530 15.068 -4.312 1.00 0.00 C ATOM 286 CG TYR A 19 2.147 15.698 -4.326 1.00 0.00 C ATOM 287 CD1 TYR A 19 1.007 14.875 -4.383 1.00 0.00 C ATOM 288 CD2 TYR A 19 1.998 17.095 -4.419 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.272 15.439 -4.514 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.720 17.657 -4.589 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.414 16.830 -4.638 1.00 0.00 C ATOM 292 OH TYR A 19 -1.641 17.380 -4.851 1.00 0.00 O ATOM 0 H TYR A 19 3.044 12.791 -5.540 1.00 0.00 H new ATOM 0 HA TYR A 19 3.895 15.515 -6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.523 14.200 -3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.244 15.778 -3.895 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.117 13.802 -4.326 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.866 17.735 -4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.145 14.804 -4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.610 18.727 -4.682 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.336 16.726 -4.627 1.00 0.00 H new ATOM 302 N SER A 20 5.839 13.123 -5.111 1.00 0.00 N ATOM 303 CA SER A 20 7.224 12.680 -5.019 1.00 0.00 C ATOM 304 C SER A 20 7.872 12.545 -6.395 1.00 0.00 C ATOM 305 O SER A 20 9.054 12.833 -6.535 1.00 0.00 O ATOM 306 CB SER A 20 7.304 11.362 -4.251 1.00 0.00 C ATOM 307 OG SER A 20 6.370 11.397 -3.195 1.00 0.00 O ATOM 0 H SER A 20 5.178 12.506 -4.639 1.00 0.00 H new ATOM 0 HA SER A 20 7.782 13.442 -4.475 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.092 10.524 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.311 11.213 -3.860 1.00 0.00 H new ATOM 0 HG SER A 20 6.424 10.563 -2.683 1.00 0.00 H new ATOM 415 N THR A 28 11.583 9.699 -2.056 1.00 0.00 N ATOM 416 CA THR A 28 11.684 10.640 -0.959 1.00 0.00 C ATOM 417 C THR A 28 11.043 11.973 -1.341 1.00 0.00 C ATOM 418 O THR A 28 10.899 12.290 -2.521 1.00 0.00 O ATOM 419 CB THR A 28 13.171 10.802 -0.582 1.00 0.00 C ATOM 420 OG1 THR A 28 14.000 10.557 -1.700 1.00 0.00 O ATOM 421 CG2 THR A 28 13.601 9.795 0.484 1.00 0.00 C ATOM 0 HA THR A 28 11.143 10.266 -0.090 1.00 0.00 H new ATOM 0 HB THR A 28 13.276 11.823 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.512 10.019 -2.358 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.655 9.943 0.721 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.003 9.940 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.452 8.782 0.109 1.00 0.00 H new ATOM 429 N LEU A 29 10.633 12.744 -0.332 1.00 0.00 N ATOM 430 CA LEU A 29 10.135 14.102 -0.493 1.00 0.00 C ATOM 431 C LEU A 29 10.220 14.831 0.850 1.00 0.00 C ATOM 432 O LEU A 29 10.570 14.215 1.857 1.00 0.00 O ATOM 433 CB LEU A 29 8.726 14.119 -1.111 1.00 0.00 C ATOM 434 CG LEU A 29 7.706 13.118 -0.541 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.675 13.054 0.988 1.00 0.00 C ATOM 436 CD2 LEU A 29 6.306 13.509 -1.022 1.00 0.00 C ATOM 0 H LEU A 29 10.640 12.430 0.639 1.00 0.00 H new ATOM 0 HA LEU A 29 10.762 14.641 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.317 15.123 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.822 13.934 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 29 8.015 12.136 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.930 12.325 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.656 12.757 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.417 14.035 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.575 12.806 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.069 14.514 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.276 13.486 -2.111 1.00 0.00 H new ATOM 448 N SER A 30 9.930 16.136 0.872 1.00 0.00 N ATOM 449 CA SER A 30 10.119 16.984 2.041 1.00 0.00 C ATOM 450 C SER A 30 8.802 17.578 2.546 1.00 0.00 C ATOM 451 O SER A 30 7.766 17.509 1.879 1.00 0.00 O ATOM 452 CB SER A 30 11.097 18.112 1.683 1.00 0.00 C ATOM 453 OG SER A 30 10.478 19.076 0.850 1.00 0.00 O ATOM 0 H SER A 30 9.553 16.634 0.066 1.00 0.00 H new ATOM 0 HA SER A 30 10.521 16.368 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.455 18.590 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.969 17.696 1.178 1.00 0.00 H new ATOM 0 HG SER A 30 10.056 18.627 0.088 1.00 0.00 H new ATOM 459 N LYS A 31 8.897 18.224 3.711 1.00 0.00 N ATOM 460 CA LYS A 31 7.888 19.068 4.334 1.00 0.00 C ATOM 461 C LYS A 31 7.011 19.808 3.328 1.00 0.00 C ATOM 462 O LYS A 31 5.791 19.790 3.450 1.00 0.00 O ATOM 463 CB LYS A 31 8.531 20.056 5.327 1.00 0.00 C ATOM 464 CG LYS A 31 9.932 20.568 4.954 1.00 0.00 C ATOM 465 CD LYS A 31 10.407 21.568 6.019 1.00 0.00 C ATOM 466 CE LYS A 31 11.864 21.997 5.811 1.00 0.00 C ATOM 467 NZ LYS A 31 12.807 20.889 6.049 1.00 0.00 N ATOM 0 H LYS A 31 9.742 18.163 4.279 1.00 0.00 H new ATOM 0 HA LYS A 31 7.227 18.395 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.869 20.915 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.590 19.574 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.630 19.734 4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.908 21.046 3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.765 22.449 5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.301 21.120 7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.991 22.368 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.098 22.823 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.779 21.258 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.592 20.440 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.716 20.186 5.288 1.00 0.00 H new ATOM 481 N LYS A 32 7.622 20.467 2.342 1.00 0.00 N ATOM 482 CA LYS A 32 6.882 21.253 1.370 1.00 0.00 C ATOM 483 C LYS A 32 5.872 20.353 0.644 1.00 0.00 C ATOM 484 O LYS A 32 4.665 20.600 0.659 1.00 0.00 O ATOM 485 CB LYS A 32 7.890 21.927 0.426 1.00 0.00 C ATOM 486 CG LYS A 32 7.300 23.022 -0.473 1.00 0.00 C ATOM 487 CD LYS A 32 6.804 24.245 0.318 1.00 0.00 C ATOM 488 CE LYS A 32 5.276 24.272 0.433 1.00 0.00 C ATOM 489 NZ LYS A 32 4.817 25.366 1.305 1.00 0.00 N ATOM 0 H LYS A 32 8.632 20.468 2.201 1.00 0.00 H new ATOM 0 HA LYS A 32 6.301 22.041 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.692 22.361 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.341 21.162 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.056 23.342 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.472 22.607 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.243 24.234 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.147 25.157 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.838 24.388 -0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.923 23.319 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.779 25.354 1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.215 25.241 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.132 26.277 0.915 1.00 0.00 H new ATOM 503 N GLU A 33 6.369 19.259 0.058 1.00 0.00 N ATOM 504 CA GLU A 33 5.531 18.307 -0.650 1.00 0.00 C ATOM 505 C GLU A 33 4.493 17.706 0.297 1.00 0.00 C ATOM 506 O GLU A 33 3.344 17.548 -0.097 1.00 0.00 O ATOM 507 CB GLU A 33 6.367 17.194 -1.291 1.00 0.00 C ATOM 508 CG GLU A 33 7.260 17.661 -2.451 1.00 0.00 C ATOM 509 CD GLU A 33 8.489 18.433 -1.985 1.00 0.00 C ATOM 510 OE1 GLU A 33 9.304 17.817 -1.263 1.00 0.00 O ATOM 511 OE2 GLU A 33 8.582 19.630 -2.333 1.00 0.00 O ATOM 0 H GLU A 33 7.360 19.016 0.065 1.00 0.00 H new ATOM 0 HA GLU A 33 5.018 18.844 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.995 16.740 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.696 16.416 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.580 16.793 -3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.675 18.291 -3.121 1.00 0.00 H new ATOM 518 N LEU A 34 4.879 17.363 1.530 1.00 0.00 N ATOM 519 CA LEU A 34 3.946 16.811 2.512 1.00 0.00 C ATOM 520 C LEU A 34 2.791 17.781 2.794 1.00 0.00 C ATOM 521 O LEU A 34 1.622 17.387 2.775 1.00 0.00 O ATOM 522 CB LEU A 34 4.680 16.448 3.807 1.00 0.00 C ATOM 523 CG LEU A 34 5.647 15.266 3.640 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.577 15.216 4.853 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.905 13.927 3.522 1.00 0.00 C ATOM 0 H LEU A 34 5.836 17.459 1.871 1.00 0.00 H new ATOM 0 HA LEU A 34 3.517 15.902 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.235 17.317 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.948 16.205 4.577 1.00 0.00 H new ATOM 0 HG LEU A 34 6.210 15.417 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.269 14.381 4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.140 16.147 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.986 15.085 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.628 13.120 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.314 13.758 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.246 13.952 2.654 1.00 0.00 H new ATOM 537 N LYS A 35 3.119 19.050 3.057 1.00 0.00 N ATOM 538 CA LYS A 35 2.138 20.092 3.328 1.00 0.00 C ATOM 539 C LYS A 35 1.232 20.315 2.118 1.00 0.00 C ATOM 540 O LYS A 35 0.062 20.649 2.300 1.00 0.00 O ATOM 541 CB LYS A 35 2.817 21.381 3.809 1.00 0.00 C ATOM 542 CG LYS A 35 3.381 21.170 5.222 1.00 0.00 C ATOM 543 CD LYS A 35 4.187 22.370 5.732 1.00 0.00 C ATOM 544 CE LYS A 35 3.298 23.589 5.993 1.00 0.00 C ATOM 545 NZ LYS A 35 4.060 24.678 6.627 1.00 0.00 N ATOM 0 H LYS A 35 4.084 19.380 3.087 1.00 0.00 H new ATOM 0 HA LYS A 35 1.496 19.760 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.618 21.659 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.100 22.202 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.558 20.973 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.017 20.285 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.704 22.095 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.953 22.630 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.872 23.939 5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.464 23.304 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.432 25.491 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.446 24.349 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.841 24.965 6.003 1.00 0.00 H new ATOM 559 N GLU A 36 1.740 20.121 0.893 1.00 0.00 N ATOM 560 CA GLU A 36 0.847 20.047 -0.253 1.00 0.00 C ATOM 561 C GLU A 36 -0.004 18.782 -0.107 1.00 0.00 C ATOM 562 O GLU A 36 -1.197 18.897 0.122 1.00 0.00 O ATOM 563 CB GLU A 36 1.582 20.086 -1.601 1.00 0.00 C ATOM 564 CG GLU A 36 1.840 21.514 -2.099 1.00 0.00 C ATOM 565 CD GLU A 36 2.889 22.250 -1.280 1.00 0.00 C ATOM 566 OE1 GLU A 36 2.496 22.875 -0.270 1.00 0.00 O ATOM 567 OE2 GLU A 36 4.064 22.195 -1.704 1.00 0.00 O ATOM 0 H GLU A 36 2.732 20.016 0.681 1.00 0.00 H new ATOM 0 HA GLU A 36 0.212 20.933 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.533 19.562 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.995 19.548 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.160 21.477 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.906 22.076 -2.072 1.00 0.00 H new ATOM 574 N LEU A 37 0.588 17.590 -0.232 1.00 0.00 N ATOM 575 CA LEU A 37 -0.077 16.287 -0.175 1.00 0.00 C ATOM 576 C LEU A 37 -1.315 16.280 0.720 1.00 0.00 C ATOM 577 O LEU A 37 -2.427 16.087 0.229 1.00 0.00 O ATOM 578 CB LEU A 37 0.910 15.208 0.306 1.00 0.00 C ATOM 579 CG LEU A 37 1.603 14.475 -0.845 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.859 13.766 -0.330 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.656 13.427 -1.436 1.00 0.00 C ATOM 0 H LEU A 37 1.593 17.505 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.413 16.069 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.665 15.671 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.376 14.484 0.922 1.00 0.00 H new ATOM 0 HG LEU A 37 1.876 15.202 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.347 13.246 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.544 14.501 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.581 13.045 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.154 12.908 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.382 12.708 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.242 13.918 -1.810 1.00 0.00 H new ATOM 593 N ILE A 38 -1.131 16.474 2.029 1.00 0.00 N ATOM 594 CA ILE A 38 -2.248 16.376 2.962 1.00 0.00 C ATOM 595 C ILE A 38 -3.335 17.395 2.597 1.00 0.00 C ATOM 596 O ILE A 38 -4.489 17.032 2.398 1.00 0.00 O ATOM 597 CB ILE A 38 -1.748 16.450 4.419 1.00 0.00 C ATOM 598 CG1 ILE A 38 -2.867 16.101 5.412 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.130 17.808 4.776 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.335 15.937 6.840 1.00 0.00 C ATOM 0 H ILE A 38 -0.233 16.696 2.458 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.726 15.400 2.878 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.955 15.706 4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.625 16.884 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.355 15.178 5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.798 17.795 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.278 18.002 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.875 18.593 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.159 15.691 7.509 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.597 15.135 6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.870 16.868 7.164 1.00 0.00 H new ATOM 612 N GLN A 39 -2.953 18.660 2.444 1.00 0.00 N ATOM 613 CA GLN A 39 -3.841 19.775 2.142 1.00 0.00 C ATOM 614 C GLN A 39 -4.622 19.549 0.839 1.00 0.00 C ATOM 615 O GLN A 39 -5.822 19.807 0.768 1.00 0.00 O ATOM 616 CB GLN A 39 -2.933 21.003 2.063 1.00 0.00 C ATOM 617 CG GLN A 39 -3.609 22.359 1.868 1.00 0.00 C ATOM 618 CD GLN A 39 -2.581 23.490 1.760 1.00 0.00 C ATOM 619 OE1 GLN A 39 -2.954 24.641 1.565 1.00 0.00 O ATOM 620 NE2 GLN A 39 -1.281 23.200 1.872 1.00 0.00 N ATOM 0 H GLN A 39 -1.978 18.946 2.531 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.608 19.896 2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.344 21.048 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.233 20.853 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.221 22.335 0.966 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.281 22.555 2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.985 22.237 2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.585 23.941 1.795 1.00 0.00 H new ATOM 629 N LYS A 40 -3.922 19.105 -0.205 1.00 0.00 N ATOM 630 CA LYS A 40 -4.451 18.923 -1.546 1.00 0.00 C ATOM 631 C LYS A 40 -5.383 17.716 -1.587 1.00 0.00 C ATOM 632 O LYS A 40 -6.466 17.784 -2.163 1.00 0.00 O ATOM 633 CB LYS A 40 -3.298 18.678 -2.536 1.00 0.00 C ATOM 634 CG LYS A 40 -2.210 19.759 -2.627 1.00 0.00 C ATOM 635 CD LYS A 40 -2.424 20.801 -3.729 1.00 0.00 C ATOM 636 CE LYS A 40 -3.344 21.917 -3.236 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.492 22.981 -4.243 1.00 0.00 N ATOM 0 H LYS A 40 -2.936 18.855 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.999 19.824 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.818 17.737 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.727 18.546 -3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.149 20.274 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.248 19.273 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.465 21.220 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.858 20.325 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.323 21.503 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.943 22.340 -2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.123 23.722 -3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.560 23.392 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.898 22.581 -5.113 1.00 0.00 H new ATOM 651 N GLU A 41 -4.918 16.591 -1.040 1.00 0.00 N ATOM 652 CA GLU A 41 -5.570 15.302 -1.191 1.00 0.00 C ATOM 653 C GLU A 41 -6.542 15.039 -0.038 1.00 0.00 C ATOM 654 O GLU A 41 -7.714 14.749 -0.275 1.00 0.00 O ATOM 655 CB GLU A 41 -4.509 14.203 -1.320 1.00 0.00 C ATOM 656 CG GLU A 41 -3.489 14.475 -2.439 1.00 0.00 C ATOM 657 CD GLU A 41 -4.122 14.659 -3.816 1.00 0.00 C ATOM 658 OE1 GLU A 41 -5.018 13.853 -4.147 1.00 0.00 O ATOM 659 OE2 GLU A 41 -3.679 15.593 -4.520 1.00 0.00 O ATOM 0 H GLU A 41 -4.069 16.556 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.167 15.303 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.981 14.104 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.003 13.250 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.919 15.370 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.781 13.647 -2.482 1.00 0.00 H new ATOM 666 N LEU A 42 -6.088 15.154 1.212 1.00 0.00 N ATOM 667 CA LEU A 42 -6.964 15.076 2.376 1.00 0.00 C ATOM 668 C LEU A 42 -7.596 16.449 2.584 1.00 0.00 C ATOM 669 O LEU A 42 -7.369 17.101 3.600 1.00 0.00 O ATOM 670 CB LEU A 42 -6.191 14.587 3.615 1.00 0.00 C ATOM 671 CG LEU A 42 -5.848 13.095 3.525 1.00 0.00 C ATOM 672 CD1 LEU A 42 -4.686 12.737 4.453 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.057 12.237 3.906 1.00 0.00 C ATOM 0 H LEU A 42 -5.106 15.303 1.442 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.755 14.345 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.273 15.165 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.787 14.769 4.509 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.561 12.894 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.466 11.673 4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.805 13.313 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.958 12.969 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.791 11.182 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.359 12.467 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.883 12.450 3.227 1.00 0.00 H new ATOM 794 N ASP A 50 -8.158 16.805 15.365 1.00 0.00 N ATOM 795 CA ASP A 50 -6.942 17.615 15.365 1.00 0.00 C ATOM 796 C ASP A 50 -5.869 17.061 14.421 1.00 0.00 C ATOM 797 O ASP A 50 -5.072 17.824 13.883 1.00 0.00 O ATOM 798 CB ASP A 50 -6.371 17.733 16.783 1.00 0.00 C ATOM 799 CG ASP A 50 -7.407 18.190 17.806 1.00 0.00 C ATOM 800 OD1 ASP A 50 -8.313 17.374 18.085 1.00 0.00 O ATOM 801 OD2 ASP A 50 -7.280 19.339 18.279 1.00 0.00 O ATOM 0 HA ASP A 50 -7.225 18.603 15.001 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.968 16.767 17.088 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.539 18.437 16.777 1.00 0.00 H new ATOM 806 N ALA A 51 -5.847 15.736 14.238 1.00 0.00 N ATOM 807 CA ALA A 51 -4.888 14.976 13.446 1.00 0.00 C ATOM 808 C ALA A 51 -4.294 15.744 12.265 1.00 0.00 C ATOM 809 O ALA A 51 -3.080 15.901 12.186 1.00 0.00 O ATOM 810 CB ALA A 51 -5.572 13.713 12.928 1.00 0.00 C ATOM 0 H ALA A 51 -6.546 15.132 14.670 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.053 14.747 14.108 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.865 13.134 12.333 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.914 13.113 13.771 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.426 13.989 12.309 1.00 0.00 H new ATOM 816 N GLU A 52 -5.139 16.194 11.333 1.00 0.00 N ATOM 817 CA GLU A 52 -4.679 16.825 10.101 1.00 0.00 C ATOM 818 C GLU A 52 -3.931 18.127 10.416 1.00 0.00 C ATOM 819 O GLU A 52 -2.876 18.409 9.846 1.00 0.00 O ATOM 820 CB GLU A 52 -5.883 17.066 9.177 1.00 0.00 C ATOM 821 CG GLU A 52 -5.464 17.398 7.736 1.00 0.00 C ATOM 822 CD GLU A 52 -6.577 18.099 6.963 1.00 0.00 C ATOM 823 OE1 GLU A 52 -7.734 17.641 7.089 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.253 19.111 6.305 1.00 0.00 O ATOM 0 H GLU A 52 -6.154 16.130 11.414 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.978 16.168 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.516 16.179 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.484 17.884 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.579 18.034 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.186 16.480 7.219 1.00 0.00 H new ATOM 831 N ILE A 53 -4.489 18.914 11.339 1.00 0.00 N ATOM 832 CA ILE A 53 -3.944 20.194 11.750 1.00 0.00 C ATOM 833 C ILE A 53 -2.573 19.923 12.383 1.00 0.00 C ATOM 834 O ILE A 53 -1.560 20.510 12.003 1.00 0.00 O ATOM 835 CB ILE A 53 -4.909 20.901 12.732 1.00 0.00 C ATOM 836 CG1 ILE A 53 -6.352 21.106 12.218 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.343 22.283 13.091 1.00 0.00 C ATOM 838 CD1 ILE A 53 -7.207 19.841 12.107 1.00 0.00 C ATOM 0 H ILE A 53 -5.350 18.667 11.827 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.826 20.865 10.899 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.977 20.229 13.588 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.858 21.806 12.883 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.304 21.576 11.236 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.020 22.785 13.783 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.366 22.165 13.560 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.241 22.881 12.185 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.198 20.103 11.737 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.735 19.142 11.416 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.297 19.376 13.089 1.00 0.00 H new ATOM 850 N VAL A 54 -2.548 18.987 13.334 1.00 0.00 N ATOM 851 CA VAL A 54 -1.337 18.570 14.018 1.00 0.00 C ATOM 852 C VAL A 54 -0.290 18.128 12.997 1.00 0.00 C ATOM 853 O VAL A 54 0.840 18.594 13.069 1.00 0.00 O ATOM 854 CB VAL A 54 -1.660 17.490 15.064 1.00 0.00 C ATOM 855 CG1 VAL A 54 -0.388 16.914 15.703 1.00 0.00 C ATOM 856 CG2 VAL A 54 -2.522 18.104 16.175 1.00 0.00 C ATOM 0 H VAL A 54 -3.384 18.495 13.650 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.909 19.410 14.565 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.188 16.684 14.554 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.661 16.155 16.436 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.236 16.465 14.930 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.165 17.713 16.197 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.754 17.342 16.919 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.977 18.920 16.649 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.449 18.487 15.747 1.00 0.00 H new ATOM 866 N LYS A 55 -0.646 17.264 12.042 1.00 0.00 N ATOM 867 CA LYS A 55 0.259 16.844 10.979 1.00 0.00 C ATOM 868 C LYS A 55 0.834 18.058 10.252 1.00 0.00 C ATOM 869 O LYS A 55 2.053 18.172 10.133 1.00 0.00 O ATOM 870 CB LYS A 55 -0.440 15.883 10.002 1.00 0.00 C ATOM 871 CG LYS A 55 0.089 14.442 10.060 1.00 0.00 C ATOM 872 CD LYS A 55 -0.332 13.635 11.300 1.00 0.00 C ATOM 873 CE LYS A 55 0.455 13.929 12.584 1.00 0.00 C ATOM 874 NZ LYS A 55 1.909 13.775 12.394 1.00 0.00 N ATOM 0 H LYS A 55 -1.571 16.838 11.988 1.00 0.00 H new ATOM 0 HA LYS A 55 1.088 16.300 11.432 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.509 15.876 10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.321 16.263 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.250 13.912 9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.178 14.471 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.388 13.823 11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.234 12.574 11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.239 14.945 12.916 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.121 13.258 13.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.315 13.274 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.090 13.229 11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.349 14.713 12.310 1.00 0.00 H new ATOM 888 N LEU A 56 -0.031 18.960 9.776 1.00 0.00 N ATOM 889 CA LEU A 56 0.399 20.165 9.070 1.00 0.00 C ATOM 890 C LEU A 56 1.463 20.938 9.861 1.00 0.00 C ATOM 891 O LEU A 56 2.443 21.389 9.271 1.00 0.00 O ATOM 892 CB LEU A 56 -0.810 21.050 8.728 1.00 0.00 C ATOM 893 CG LEU A 56 -1.572 20.568 7.482 1.00 0.00 C ATOM 894 CD1 LEU A 56 -2.987 21.156 7.476 1.00 0.00 C ATOM 895 CD2 LEU A 56 -0.845 21.003 6.201 1.00 0.00 C ATOM 0 H LEU A 56 -1.043 18.873 9.870 1.00 0.00 H new ATOM 0 HA LEU A 56 0.866 19.858 8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.491 21.070 9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.471 22.073 8.567 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.622 19.480 7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.521 20.810 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.519 20.832 8.370 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.929 22.244 7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.400 20.652 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.776 22.090 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.158 20.575 6.189 1.00 0.00 H new ATOM 907 N MET A 57 1.292 21.088 11.180 1.00 0.00 N ATOM 908 CA MET A 57 2.309 21.724 12.015 1.00 0.00 C ATOM 909 C MET A 57 3.524 20.793 12.158 1.00 0.00 C ATOM 910 O MET A 57 4.611 21.089 11.664 1.00 0.00 O ATOM 911 CB MET A 57 1.735 22.086 13.398 1.00 0.00 C ATOM 912 CG MET A 57 1.069 23.469 13.504 1.00 0.00 C ATOM 913 SD MET A 57 -0.732 23.595 13.312 1.00 0.00 S ATOM 914 CE MET A 57 -0.937 23.637 11.520 1.00 0.00 C ATOM 0 H MET A 57 0.463 20.778 11.687 1.00 0.00 H new ATOM 0 HA MET A 57 2.628 22.648 11.534 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.002 21.328 13.676 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.541 22.034 14.130 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.326 23.884 14.478 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.526 24.113 12.753 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.295 24.621 11.218 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.020 23.436 11.039 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.661 22.880 11.219 1.00 0.00 H new ATOM 924 N ASP A 58 3.326 19.675 12.861 1.00 0.00 N ATOM 925 CA ASP A 58 4.313 18.672 13.254 1.00 0.00 C ATOM 926 C ASP A 58 5.272 18.311 12.118 1.00 0.00 C ATOM 927 O ASP A 58 6.457 18.077 12.351 1.00 0.00 O ATOM 928 CB ASP A 58 3.562 17.431 13.752 1.00 0.00 C ATOM 929 CG ASP A 58 4.486 16.290 14.160 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.465 16.568 14.884 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.182 15.152 13.736 1.00 0.00 O ATOM 0 H ASP A 58 2.394 19.430 13.196 1.00 0.00 H new ATOM 0 HA ASP A 58 4.935 19.086 14.047 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.941 17.708 14.604 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.890 17.082 12.968 1.00 0.00 H new ATOM 936 N ASP A 59 4.762 18.301 10.885 1.00 0.00 N ATOM 937 CA ASP A 59 5.542 18.162 9.668 1.00 0.00 C ATOM 938 C ASP A 59 6.876 18.916 9.734 1.00 0.00 C ATOM 939 O ASP A 59 7.917 18.344 9.405 1.00 0.00 O ATOM 940 CB ASP A 59 4.710 18.699 8.502 1.00 0.00 C ATOM 941 CG ASP A 59 5.504 18.637 7.214 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.659 17.506 6.709 1.00 0.00 O ATOM 943 OD2 ASP A 59 5.961 19.715 6.781 1.00 0.00 O ATOM 0 H ASP A 59 3.762 18.393 10.708 1.00 0.00 H new ATOM 0 HA ASP A 59 5.780 17.107 9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.795 18.116 8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.411 19.728 8.703 1.00 0.00 H new ATOM 948 N LEU A 60 6.856 20.186 10.149 1.00 0.00 N ATOM 949 CA LEU A 60 8.065 21.000 10.181 1.00 0.00 C ATOM 950 C LEU A 60 9.076 20.457 11.195 1.00 0.00 C ATOM 951 O LEU A 60 10.278 20.493 10.946 1.00 0.00 O ATOM 952 CB LEU A 60 7.723 22.486 10.388 1.00 0.00 C ATOM 953 CG LEU A 60 7.283 22.874 11.813 1.00 0.00 C ATOM 954 CD1 LEU A 60 8.465 23.377 12.656 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.233 23.988 11.745 1.00 0.00 C ATOM 0 H LEU A 60 6.015 20.668 10.466 1.00 0.00 H new ATOM 0 HA LEU A 60 8.556 20.934 9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.596 23.082 10.121 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.927 22.758 9.694 1.00 0.00 H new ATOM 0 HG LEU A 60 6.871 21.980 12.281 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.114 23.641 13.654 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.218 22.592 12.732 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.903 24.255 12.181 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.925 24.259 12.755 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.659 24.860 11.249 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.367 23.638 11.183 1.00 0.00 H new ATOM 967 N ASP A 61 8.594 19.943 12.332 1.00 0.00 N ATOM 968 CA ASP A 61 9.457 19.383 13.364 1.00 0.00 C ATOM 969 C ASP A 61 10.047 18.063 12.876 1.00 0.00 C ATOM 970 O ASP A 61 11.234 17.811 13.054 1.00 0.00 O ATOM 971 CB ASP A 61 8.680 19.187 14.670 1.00 0.00 C ATOM 972 CG ASP A 61 9.566 18.537 15.728 1.00 0.00 C ATOM 973 OD1 ASP A 61 10.490 19.234 16.201 1.00 0.00 O ATOM 974 OD2 ASP A 61 9.313 17.353 16.035 1.00 0.00 O ATOM 0 H ASP A 61 7.600 19.906 12.557 1.00 0.00 H new ATOM 0 HA ASP A 61 10.272 20.079 13.565 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.318 20.149 15.032 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.804 18.564 14.489 1.00 0.00 H new ATOM 979 N ARG A 62 9.209 17.225 12.262 1.00 0.00 N ATOM 980 CA ARG A 62 9.635 15.967 11.664 1.00 0.00 C ATOM 981 C ARG A 62 10.731 16.220 10.627 1.00 0.00 C ATOM 982 O ARG A 62 11.800 15.613 10.678 1.00 0.00 O ATOM 983 CB ARG A 62 8.407 15.269 11.069 1.00 0.00 C ATOM 984 CG ARG A 62 8.729 13.980 10.297 1.00 0.00 C ATOM 985 CD ARG A 62 7.462 13.304 9.747 1.00 0.00 C ATOM 986 NE ARG A 62 6.634 12.729 10.821 1.00 0.00 N ATOM 987 CZ ARG A 62 5.694 13.372 11.529 1.00 0.00 C ATOM 988 NH1 ARG A 62 5.315 14.613 11.212 1.00 0.00 N ATOM 989 NH2 ARG A 62 5.147 12.778 12.593 1.00 0.00 N ATOM 0 H ARG A 62 8.210 17.406 12.167 1.00 0.00 H new ATOM 0 HA ARG A 62 10.068 15.308 12.417 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.711 15.033 11.874 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.897 15.962 10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.404 14.211 9.472 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.254 13.286 10.954 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.876 14.033 9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.745 12.518 9.047 1.00 0.00 H new ATOM 0 HE ARG A 62 6.791 11.747 11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.743 15.090 10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.598 15.084 11.764 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.445 11.841 12.863 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.432 13.262 13.136 1.00 0.00 H new ATOM 1068 N GLU A 67 14.468 15.025 4.645 1.00 0.00 N ATOM 1069 CA GLU A 67 13.341 14.524 3.872 1.00 0.00 C ATOM 1070 C GLU A 67 12.757 13.293 4.570 1.00 0.00 C ATOM 1071 O GLU A 67 13.355 12.775 5.513 1.00 0.00 O ATOM 1072 CB GLU A 67 13.821 14.148 2.463 1.00 0.00 C ATOM 1073 CG GLU A 67 14.331 15.368 1.691 1.00 0.00 C ATOM 1074 CD GLU A 67 14.453 15.055 0.203 1.00 0.00 C ATOM 1075 OE1 GLU A 67 13.387 15.031 -0.452 1.00 0.00 O ATOM 1076 OE2 GLU A 67 15.600 14.835 -0.242 1.00 0.00 O ATOM 0 HA GLU A 67 12.572 15.293 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.616 13.406 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.002 13.685 1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.650 16.207 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.301 15.673 2.084 1.00 0.00 H new ATOM 1083 N VAL A 68 11.621 12.799 4.074 1.00 0.00 N ATOM 1084 CA VAL A 68 11.055 11.516 4.463 1.00 0.00 C ATOM 1085 C VAL A 68 10.985 10.638 3.216 1.00 0.00 C ATOM 1086 O VAL A 68 10.826 11.156 2.108 1.00 0.00 O ATOM 1087 CB VAL A 68 9.679 11.688 5.130 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.741 12.689 6.290 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.569 12.086 4.154 1.00 0.00 C ATOM 0 H VAL A 68 11.062 13.292 3.378 1.00 0.00 H new ATOM 0 HA VAL A 68 11.688 11.036 5.210 1.00 0.00 H new ATOM 0 HB VAL A 68 9.421 10.702 5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.753 12.787 6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.447 12.333 7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.068 13.659 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.628 12.189 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.822 13.036 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.465 11.317 3.388 1.00 0.00 H new ATOM 1099 N ASN A 69 11.114 9.319 3.395 1.00 0.00 N ATOM 1100 CA ASN A 69 10.906 8.334 2.337 1.00 0.00 C ATOM 1101 C ASN A 69 9.467 7.835 2.362 1.00 0.00 C ATOM 1102 O ASN A 69 8.744 8.073 3.331 1.00 0.00 O ATOM 1103 CB ASN A 69 11.881 7.157 2.468 1.00 0.00 C ATOM 1104 CG ASN A 69 11.533 6.287 3.669 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.634 5.451 3.605 1.00 0.00 O ATOM 1106 ND2 ASN A 69 12.210 6.519 4.786 1.00 0.00 N ATOM 0 H ASN A 69 11.369 8.904 4.291 1.00 0.00 H new ATOM 0 HA ASN A 69 11.099 8.820 1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.854 6.556 1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.899 7.534 2.571 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.991 5.995 5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.949 7.222 4.798 1.00 0.00 H new ATOM 1113 N PHE A 70 9.086 7.103 1.311 1.00 0.00 N ATOM 1114 CA PHE A 70 7.787 6.460 1.169 1.00 0.00 C ATOM 1115 C PHE A 70 7.216 5.953 2.494 1.00 0.00 C ATOM 1116 O PHE A 70 6.143 6.390 2.893 1.00 0.00 O ATOM 1117 CB PHE A 70 7.862 5.334 0.133 1.00 0.00 C ATOM 1118 CG PHE A 70 6.554 4.583 -0.048 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.428 5.249 -0.563 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.457 3.223 0.305 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.231 4.548 -0.784 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.258 2.523 0.089 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.146 3.182 -0.464 1.00 0.00 C ATOM 0 H PHE A 70 9.698 6.939 0.511 1.00 0.00 H new ATOM 0 HA PHE A 70 7.093 7.224 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.165 5.754 -0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.638 4.629 0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.484 6.304 -0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.305 2.718 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.375 5.059 -1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.190 1.477 0.348 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.229 2.640 -0.642 1.00 0.00 H new ATOM 1133 N GLN A 71 7.902 5.059 3.213 1.00 0.00 N ATOM 1134 CA GLN A 71 7.276 4.472 4.395 1.00 0.00 C ATOM 1135 C GLN A 71 7.092 5.508 5.503 1.00 0.00 C ATOM 1136 O GLN A 71 6.144 5.420 6.280 1.00 0.00 O ATOM 1137 CB GLN A 71 8.010 3.217 4.891 1.00 0.00 C ATOM 1138 CG GLN A 71 7.132 2.390 5.854 1.00 0.00 C ATOM 1139 CD GLN A 71 5.859 1.875 5.190 1.00 0.00 C ATOM 1140 OE1 GLN A 71 5.745 1.836 3.969 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.875 1.476 5.984 1.00 0.00 N ATOM 0 H GLN A 71 8.849 4.739 3.009 1.00 0.00 H new ATOM 0 HA GLN A 71 6.283 4.140 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.296 2.601 4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.931 3.509 5.397 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.708 1.545 6.231 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.866 3.003 6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.989 1.516 6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.004 1.129 5.582 1.00 0.00 H new ATOM 1150 N GLU A 72 7.956 6.521 5.573 1.00 0.00 N ATOM 1151 CA GLU A 72 7.754 7.602 6.525 1.00 0.00 C ATOM 1152 C GLU A 72 6.582 8.486 6.077 1.00 0.00 C ATOM 1153 O GLU A 72 5.839 8.979 6.922 1.00 0.00 O ATOM 1154 CB GLU A 72 9.069 8.333 6.813 1.00 0.00 C ATOM 1155 CG GLU A 72 9.873 7.640 7.930 1.00 0.00 C ATOM 1156 CD GLU A 72 10.085 6.139 7.723 1.00 0.00 C ATOM 1157 OE1 GLU A 72 9.191 5.369 8.136 1.00 0.00 O ATOM 1158 OE2 GLU A 72 11.147 5.783 7.170 1.00 0.00 O ATOM 0 H GLU A 72 8.788 6.612 4.990 1.00 0.00 H new ATOM 0 HA GLU A 72 7.455 7.205 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.669 8.374 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.857 9.363 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.846 8.123 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.359 7.794 8.879 1.00 0.00 H new ATOM 1165 N TYR A 73 6.345 8.635 4.771 1.00 0.00 N ATOM 1166 CA TYR A 73 5.102 9.234 4.283 1.00 0.00 C ATOM 1167 C TYR A 73 3.911 8.375 4.741 1.00 0.00 C ATOM 1168 O TYR A 73 2.942 8.898 5.291 1.00 0.00 O ATOM 1169 CB TYR A 73 5.148 9.438 2.759 1.00 0.00 C ATOM 1170 CG TYR A 73 3.834 9.223 2.024 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.896 10.266 1.913 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.573 7.987 1.401 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.735 10.088 1.140 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.390 7.795 0.671 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.490 8.859 0.502 1.00 0.00 C ATOM 1176 OH TYR A 73 0.407 8.713 -0.311 1.00 0.00 O ATOM 0 H TYR A 73 6.994 8.351 4.037 1.00 0.00 H new ATOM 0 HA TYR A 73 4.977 10.229 4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.494 10.452 2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.891 8.758 2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.068 11.203 2.421 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.288 7.182 1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.029 10.898 1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.172 6.829 0.239 1.00 0.00 H new ATOM 0 HH TYR A 73 0.574 7.990 -0.951 1.00 0.00 H new ATOM 1186 N ILE A 74 3.992 7.053 4.566 1.00 0.00 N ATOM 1187 CA ILE A 74 2.977 6.126 5.060 1.00 0.00 C ATOM 1188 C ILE A 74 2.846 6.232 6.589 1.00 0.00 C ATOM 1189 O ILE A 74 1.766 6.011 7.128 1.00 0.00 O ATOM 1190 CB ILE A 74 3.266 4.684 4.597 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.338 4.511 3.066 1.00 0.00 C ATOM 1192 CG2 ILE A 74 2.229 3.707 5.153 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.992 4.659 2.349 1.00 0.00 C ATOM 0 H ILE A 74 4.764 6.598 4.078 1.00 0.00 H new ATOM 0 HA ILE A 74 2.015 6.406 4.631 1.00 0.00 H new ATOM 0 HB ILE A 74 4.256 4.461 4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.034 5.246 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.749 3.526 2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.459 2.698 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.252 3.733 6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.237 3.992 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.134 4.523 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.297 3.907 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.587 5.653 2.538 1.00 0.00 H new ATOM 1205 N THR A 75 3.917 6.586 7.303 1.00 0.00 N ATOM 1206 CA THR A 75 3.855 6.873 8.733 1.00 0.00 C ATOM 1207 C THR A 75 3.158 8.207 9.000 1.00 0.00 C ATOM 1208 O THR A 75 2.373 8.302 9.936 1.00 0.00 O ATOM 1209 CB THR A 75 5.243 6.765 9.376 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.810 5.512 9.044 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.167 6.847 10.903 1.00 0.00 C ATOM 0 H THR A 75 4.851 6.681 6.903 1.00 0.00 H new ATOM 0 HA THR A 75 3.239 6.114 9.216 1.00 0.00 H new ATOM 0 HB THR A 75 5.845 7.593 9.003 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.038 5.498 8.091 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.170 6.767 11.322 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.727 7.801 11.195 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.550 6.032 11.281 1.00 0.00 H new ATOM 1219 N PHE A 76 3.394 9.232 8.181 1.00 0.00 N ATOM 1220 CA PHE A 76 2.689 10.505 8.282 1.00 0.00 C ATOM 1221 C PHE A 76 1.180 10.268 8.123 1.00 0.00 C ATOM 1222 O PHE A 76 0.388 10.612 9.004 1.00 0.00 O ATOM 1223 CB PHE A 76 3.256 11.483 7.242 1.00 0.00 C ATOM 1224 CG PHE A 76 2.826 12.928 7.400 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.488 13.753 8.330 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.882 13.487 6.519 1.00 0.00 C ATOM 1227 CE1 PHE A 76 3.208 15.130 8.376 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.613 14.867 6.558 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.273 15.688 7.487 1.00 0.00 C ATOM 0 H PHE A 76 4.081 9.200 7.428 1.00 0.00 H new ATOM 0 HA PHE A 76 2.839 10.956 9.263 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.344 11.440 7.284 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.962 11.141 6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.212 13.327 9.009 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.364 12.856 5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.712 15.759 9.095 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.898 15.296 5.872 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.062 16.747 7.518 1.00 0.00 H new ATOM 1239 N LEU A 77 0.786 9.620 7.019 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.603 9.237 6.789 1.00 0.00 C ATOM 1241 C LEU A 77 -1.108 8.313 7.895 1.00 0.00 C ATOM 1242 O LEU A 77 -2.217 8.478 8.390 1.00 0.00 O ATOM 1243 CB LEU A 77 -0.774 8.539 5.434 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.480 9.405 4.199 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -0.962 8.631 2.968 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.186 10.766 4.242 1.00 0.00 C ATOM 0 H LEU A 77 1.421 9.350 6.268 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.190 10.155 6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.119 7.668 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.797 8.171 5.362 1.00 0.00 H new ATOM 0 HG LEU A 77 0.591 9.606 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.768 9.218 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.429 7.682 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.032 8.441 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.940 11.332 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.264 10.615 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.856 11.319 5.121 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.306 7.321 8.272 1.00 0.00 N ATOM 1259 CA GLY A 78 -0.659 6.338 9.280 1.00 0.00 C ATOM 1260 C GLY A 78 -0.933 6.995 10.628 1.00 0.00 C ATOM 1261 O GLY A 78 -1.870 6.617 11.322 1.00 0.00 O ATOM 0 H GLY A 78 0.623 7.179 7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.541 5.785 8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.150 5.615 9.384 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.138 8.001 10.993 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.316 8.770 12.210 1.00 0.00 C ATOM 1267 C ALA A 79 -1.580 9.625 12.110 1.00 0.00 C ATOM 1268 O ALA A 79 -2.413 9.595 13.011 1.00 0.00 O ATOM 1269 CB ALA A 79 0.936 9.616 12.453 1.00 0.00 C ATOM 0 H ALA A 79 0.661 8.304 10.436 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.447 8.104 13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.811 10.198 13.366 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.802 8.963 12.555 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.088 10.291 11.611 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.740 10.370 11.010 1.00 0.00 N ATOM 1276 CA LEU A 80 -2.956 11.130 10.716 1.00 0.00 C ATOM 1277 C LEU A 80 -4.189 10.241 10.936 1.00 0.00 C ATOM 1278 O LEU A 80 -5.087 10.567 11.719 1.00 0.00 O ATOM 1279 CB LEU A 80 -2.814 11.691 9.286 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.007 12.377 8.600 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.899 11.387 7.847 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.833 13.251 9.540 1.00 0.00 C ATOM 0 H LEU A 80 -1.020 10.462 10.293 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.094 11.977 11.388 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.994 12.409 9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.504 10.866 8.645 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.559 13.047 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.726 11.924 7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.314 10.883 7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.293 10.649 8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.657 13.702 8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.231 12.639 10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.202 14.036 9.956 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.178 9.082 10.278 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.194 8.058 10.397 1.00 0.00 C ATOM 1296 C ALA A 81 -5.385 7.658 11.858 1.00 0.00 C ATOM 1297 O ALA A 81 -6.467 7.827 12.404 1.00 0.00 O ATOM 1298 CB ALA A 81 -4.803 6.860 9.530 1.00 0.00 C ATOM 0 H ALA A 81 -3.433 8.830 9.628 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.149 8.446 10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.565 6.085 9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.721 7.175 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.844 6.465 9.866 1.00 0.00 H new ATOM 1304 N MET A 82 -4.336 7.148 12.507 1.00 0.00 N ATOM 1305 CA MET A 82 -4.375 6.695 13.890 1.00 0.00 C ATOM 1306 C MET A 82 -5.020 7.741 14.800 1.00 0.00 C ATOM 1307 O MET A 82 -5.841 7.396 15.648 1.00 0.00 O ATOM 1308 CB MET A 82 -2.956 6.335 14.352 1.00 0.00 C ATOM 1309 CG MET A 82 -2.941 5.739 15.764 1.00 0.00 C ATOM 1310 SD MET A 82 -1.319 5.242 16.404 1.00 0.00 S ATOM 1311 CE MET A 82 -0.867 3.931 15.247 1.00 0.00 C ATOM 0 H MET A 82 -3.420 7.038 12.073 1.00 0.00 H new ATOM 0 HA MET A 82 -4.997 5.802 13.953 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.518 5.622 13.654 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.331 7.228 14.330 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.371 6.470 16.449 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.596 4.868 15.775 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.018 3.411 15.614 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.692 3.224 15.157 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.654 4.365 14.270 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.636 9.009 14.642 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.153 10.075 15.480 1.00 0.00 C ATOM 1323 C ILE A 83 -6.654 10.259 15.224 1.00 0.00 C ATOM 1324 O ILE A 83 -7.431 10.146 16.175 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.338 11.372 15.326 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.872 11.171 15.751 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.946 12.480 16.205 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -1.962 12.251 15.153 1.00 0.00 C ATOM 0 H ILE A 83 -3.966 9.316 13.937 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.038 9.793 16.526 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.369 11.654 14.273 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.801 11.194 16.838 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.530 10.187 15.430 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.364 13.395 16.091 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.976 12.664 15.898 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.929 12.167 17.249 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.934 12.079 15.473 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.015 12.210 14.065 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.289 13.233 15.495 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.079 10.582 13.989 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.493 10.917 13.775 1.00 0.00 C ATOM 1342 C TYR A 84 -9.424 9.700 13.750 1.00 0.00 C ATOM 1343 O TYR A 84 -10.552 9.778 14.230 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.750 11.986 12.696 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.333 11.813 11.247 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.274 10.553 10.622 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.298 12.975 10.451 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.274 10.458 9.220 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -8.237 12.882 9.052 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.279 11.622 8.437 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.378 11.534 7.083 1.00 0.00 O ATOM 0 H TYR A 84 -6.490 10.617 13.157 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.793 11.439 14.684 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.825 12.167 12.689 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.275 12.902 13.048 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.229 9.656 11.222 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.318 13.947 10.922 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.270 9.488 8.745 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.158 13.776 8.452 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.764 10.667 6.839 1.00 0.00 H new ATOM 1361 N ASN A 85 -8.951 8.543 13.285 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.652 7.267 13.402 1.00 0.00 C ATOM 1363 C ASN A 85 -9.354 6.726 14.803 1.00 0.00 C ATOM 1364 O ASN A 85 -8.808 5.633 14.969 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.212 6.290 12.297 1.00 0.00 C ATOM 1366 CG ASN A 85 -9.320 6.861 10.882 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -8.316 7.094 10.217 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -10.531 7.076 10.378 1.00 0.00 N ATOM 0 H ASN A 85 -8.053 8.467 12.808 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.727 7.395 13.271 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.179 5.992 12.480 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.820 5.388 12.361 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.632 7.438 9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.359 6.879 10.939 1.00 0.00 H new ATOM 1375 N GLU A 86 -9.714 7.535 15.805 1.00 0.00 N ATOM 1376 CA GLU A 86 -9.355 7.411 17.209 1.00 0.00 C ATOM 1377 C GLU A 86 -9.351 5.980 17.753 1.00 0.00 C ATOM 1378 O GLU A 86 -8.452 5.628 18.516 1.00 0.00 O ATOM 1379 CB GLU A 86 -10.185 8.387 18.068 1.00 0.00 C ATOM 1380 CG GLU A 86 -11.650 8.600 17.644 1.00 0.00 C ATOM 1381 CD GLU A 86 -12.471 7.316 17.641 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -12.996 6.974 18.722 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -12.532 6.681 16.565 1.00 0.00 O ATOM 0 H GLU A 86 -10.306 8.349 15.637 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.307 7.701 17.280 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.176 8.028 19.097 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.684 9.355 18.064 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.115 9.319 18.319 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.672 9.039 16.647 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.331 5.163 17.360 1.00 0.00 N ATOM 1391 CA ALA A 87 -10.462 3.767 17.756 1.00 0.00 C ATOM 1392 C ALA A 87 -9.137 3.004 17.651 1.00 0.00 C ATOM 1393 O ALA A 87 -8.835 2.182 18.513 1.00 0.00 O ATOM 1394 CB ALA A 87 -11.539 3.100 16.898 1.00 0.00 C ATOM 0 H ALA A 87 -11.078 5.469 16.737 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.754 3.739 18.806 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.641 2.055 17.190 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.490 3.612 17.044 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.254 3.157 15.847 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.337 3.283 16.614 1.00 0.00 N ATOM 1401 CA LEU A 88 -7.055 2.617 16.418 1.00 0.00 C ATOM 1402 C LEU A 88 -6.129 2.757 17.632 1.00 0.00 C ATOM 1403 O LEU A 88 -5.314 1.869 17.879 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.369 3.123 15.143 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.085 2.696 13.849 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.411 3.392 12.663 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -7.026 1.177 13.616 1.00 0.00 C ATOM 0 H LEU A 88 -8.563 3.972 15.896 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.263 1.553 16.303 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.315 4.211 15.177 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.344 2.753 15.120 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.133 2.980 13.944 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.908 3.099 11.738 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.483 4.473 12.787 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.362 3.101 12.619 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.546 0.930 12.690 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.986 0.860 13.543 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.505 0.662 14.449 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.805 12.339 2.816 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.889 11.206 2.789 1.00 0.00 C ATOM 1471 C ALA B 2 -13.111 11.188 1.469 1.00 0.00 C ATOM 1472 O ALA B 2 -13.304 10.294 0.639 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.672 9.912 3.030 1.00 0.00 C ATOM 0 HA ALA B 2 -13.153 11.298 3.587 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -13.988 9.064 3.010 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.163 9.959 4.002 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.423 9.791 2.250 1.00 0.00 H new ATOM 1479 N SER B 3 -12.245 12.194 1.286 1.00 0.00 N ATOM 1480 CA SER B 3 -11.402 12.404 0.114 1.00 0.00 C ATOM 1481 C SER B 3 -10.669 11.126 -0.313 1.00 0.00 C ATOM 1482 O SER B 3 -10.437 10.278 0.542 1.00 0.00 O ATOM 1483 CB SER B 3 -10.376 13.488 0.464 1.00 0.00 C ATOM 1484 OG SER B 3 -10.990 14.487 1.258 1.00 0.00 O ATOM 0 H SER B 3 -12.111 12.918 1.992 1.00 0.00 H new ATOM 0 HA SER B 3 -12.034 12.704 -0.722 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.536 13.048 1.002 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.974 13.930 -0.448 1.00 0.00 H new ATOM 0 HG SER B 3 -10.332 15.178 1.482 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.242 10.986 -1.583 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.577 9.789 -2.093 1.00 0.00 C ATOM 1492 C PRO B 4 -8.546 9.185 -1.134 1.00 0.00 C ATOM 1493 O PRO B 4 -8.596 7.991 -0.847 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.959 10.201 -3.431 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.949 11.251 -3.932 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.378 11.968 -2.650 1.00 0.00 C ATOM 0 HA PRO B 4 -10.300 8.982 -2.210 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.957 10.612 -3.308 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.876 9.359 -4.118 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.484 11.937 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.798 10.794 -4.441 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.752 12.840 -2.461 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.406 12.324 -2.726 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.632 10.002 -0.603 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.722 9.541 0.437 1.00 0.00 C ATOM 1506 C LEU B 5 -7.443 8.970 1.657 1.00 0.00 C ATOM 1507 O LEU B 5 -7.107 7.877 2.104 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.747 10.643 0.875 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.309 10.523 0.347 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.437 11.508 1.140 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.702 9.123 0.541 1.00 0.00 C ATOM 0 H LEU B 5 -7.507 10.977 -0.876 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.155 8.729 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.150 11.604 0.556 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.712 10.657 1.964 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.338 10.730 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.407 11.447 0.788 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.810 12.522 0.996 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.474 11.255 2.200 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.686 9.109 0.146 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.682 8.879 1.603 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.307 8.387 0.011 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.407 9.700 2.223 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.124 9.234 3.403 1.00 0.00 C ATOM 1525 C ASP B 6 -9.866 7.939 3.081 1.00 0.00 C ATOM 1526 O ASP B 6 -9.944 7.049 3.917 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.104 10.290 3.923 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.804 9.783 5.181 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -10.100 9.671 6.209 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -12.020 9.513 5.090 1.00 0.00 O ATOM 0 H ASP B 6 -8.706 10.613 1.881 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.392 9.048 4.189 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.571 11.215 4.142 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -10.842 10.522 3.155 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.398 7.833 1.863 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.055 6.644 1.357 1.00 0.00 C ATOM 1537 C GLN B 7 -10.069 5.471 1.364 1.00 0.00 C ATOM 1538 O GLN B 7 -10.346 4.418 1.932 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.588 6.938 -0.057 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.779 6.055 -0.445 1.00 0.00 C ATOM 1541 CD GLN B 7 -14.008 6.287 0.429 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.676 5.337 0.822 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -14.328 7.536 0.754 1.00 0.00 N ATOM 0 H GLN B 7 -10.379 8.598 1.188 1.00 0.00 H new ATOM 0 HA GLN B 7 -11.898 6.368 1.991 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -11.885 7.985 -0.117 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -10.785 6.793 -0.779 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -13.040 6.245 -1.486 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -12.484 5.008 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -13.759 8.312 0.417 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -15.142 7.718 1.341 1.00 0.00 H new ATOM 1552 N ALA B 8 -8.908 5.661 0.736 1.00 0.00 N ATOM 1553 CA ALA B 8 -7.872 4.646 0.611 1.00 0.00 C ATOM 1554 C ALA B 8 -7.357 4.207 1.990 1.00 0.00 C ATOM 1555 O ALA B 8 -7.261 3.017 2.287 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.755 5.204 -0.266 1.00 0.00 C ATOM 0 H ALA B 8 -8.660 6.545 0.292 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.281 3.752 0.141 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.968 4.457 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.154 5.452 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.344 6.102 0.196 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.055 5.179 2.854 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.738 4.943 4.256 1.00 0.00 C ATOM 1564 C ILE B 9 -7.862 4.110 4.876 1.00 0.00 C ATOM 1565 O ILE B 9 -7.608 3.056 5.449 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.514 6.293 4.972 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.177 6.907 4.511 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.534 6.144 6.498 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.013 8.370 4.937 1.00 0.00 C ATOM 0 H ILE B 9 -7.025 6.164 2.591 1.00 0.00 H new ATOM 0 HA ILE B 9 -5.812 4.379 4.364 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.335 6.957 4.703 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.354 6.321 4.920 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.108 6.840 3.425 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.373 7.118 6.961 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.500 5.748 6.812 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -5.744 5.460 6.807 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.053 8.746 4.584 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -5.817 8.967 4.507 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.052 8.439 6.024 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.106 4.570 4.729 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.312 3.899 5.184 1.00 0.00 C ATOM 1583 C GLY B 10 -10.348 2.438 4.749 1.00 0.00 C ATOM 1584 O GLY B 10 -10.671 1.568 5.549 1.00 0.00 O ATOM 0 H GLY B 10 -9.302 5.459 4.269 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.371 3.956 6.271 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.186 4.417 4.790 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.004 2.156 3.492 1.00 0.00 N ATOM 1589 CA LEU B 11 -9.882 0.802 2.974 1.00 0.00 C ATOM 1590 C LEU B 11 -8.832 0.005 3.765 1.00 0.00 C ATOM 1591 O LEU B 11 -9.151 -1.061 4.294 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.605 0.861 1.461 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.918 0.943 0.661 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.800 1.890 -0.540 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.312 -0.461 0.188 1.00 0.00 C ATOM 0 H LEU B 11 -9.800 2.876 2.799 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.818 0.260 3.109 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -8.983 1.727 1.235 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -9.044 -0.022 1.156 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.689 1.346 1.317 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.749 1.918 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.551 2.892 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.016 1.534 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.241 -0.406 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.523 -0.866 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.452 -1.110 1.052 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.598 0.505 3.887 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.548 -0.200 4.634 1.00 0.00 C ATOM 1609 C LEU B 12 -6.963 -0.441 6.094 1.00 0.00 C ATOM 1610 O LEU B 12 -6.757 -1.536 6.630 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.197 0.536 4.529 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.366 0.070 3.319 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.056 0.377 1.991 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -2.996 0.751 3.318 1.00 0.00 C ATOM 0 H LEU B 12 -7.301 1.392 3.480 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.415 -1.180 4.177 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.376 1.608 4.452 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.626 0.373 5.443 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.257 -1.010 3.415 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.432 0.030 1.168 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.019 -0.132 1.955 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.210 1.452 1.901 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.421 0.411 2.457 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.127 1.832 3.263 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.462 0.496 4.234 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.553 0.570 6.737 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.136 0.453 8.073 1.00 0.00 C ATOM 1628 C ILE B 13 -9.210 -0.634 8.098 1.00 0.00 C ATOM 1629 O ILE B 13 -9.181 -1.504 8.960 1.00 0.00 O ATOM 1630 CB ILE B 13 -8.715 1.800 8.545 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.576 2.808 8.756 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.517 1.638 9.852 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.105 4.200 9.098 1.00 0.00 C ATOM 0 H ILE B 13 -7.640 1.505 6.338 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.342 0.169 8.763 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.393 2.167 7.775 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -6.926 2.459 9.558 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -6.967 2.862 7.854 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -9.912 2.606 10.159 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.342 0.944 9.689 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -8.864 1.249 10.633 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.267 4.883 9.239 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -8.734 4.560 8.284 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -8.692 4.151 10.015 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.180 -0.572 7.189 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.292 -1.506 7.135 1.00 0.00 C ATOM 1647 C GLY B 14 -10.764 -2.932 7.053 1.00 0.00 C ATOM 1648 O GLY B 14 -11.148 -3.791 7.843 1.00 0.00 O ATOM 0 H GLY B 14 -10.212 0.141 6.460 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -11.919 -1.391 8.019 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -11.919 -1.290 6.270 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.842 -3.161 6.119 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.158 -4.433 5.966 1.00 0.00 C ATOM 1654 C ILE B 15 -8.510 -4.854 7.291 1.00 0.00 C ATOM 1655 O ILE B 15 -8.715 -5.976 7.748 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.152 -4.326 4.806 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.868 -4.202 3.446 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.189 -5.513 4.818 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.435 -5.519 2.901 1.00 0.00 C ATOM 0 H ILE B 15 -9.549 -2.457 5.442 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.868 -5.220 5.713 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.571 -3.415 4.949 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.682 -3.484 3.543 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.168 -3.794 2.717 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.486 -5.419 3.991 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.641 -5.527 5.760 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.753 -6.440 4.712 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.920 -5.337 1.942 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.625 -6.236 2.767 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.163 -5.921 3.606 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.736 -3.966 7.922 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.118 -4.263 9.212 1.00 0.00 C ATOM 1673 C PHE B 16 -8.167 -4.726 10.225 1.00 0.00 C ATOM 1674 O PHE B 16 -8.067 -5.804 10.814 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.405 -3.010 9.734 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.629 -3.189 11.023 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.604 -4.148 11.101 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -5.864 -2.327 12.111 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.786 -4.213 12.240 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.039 -2.389 13.246 1.00 0.00 C ATOM 1681 CZ PHE B 16 -4.012 -3.343 13.317 1.00 0.00 C ATOM 0 H PHE B 16 -7.524 -3.037 7.558 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.396 -5.068 9.078 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.719 -2.656 8.964 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.148 -2.227 9.884 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.446 -4.836 10.283 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.678 -1.618 12.073 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.982 -4.933 12.287 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.195 -1.702 14.065 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.395 -3.407 14.201 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.174 -3.880 10.432 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.176 -4.033 11.465 1.00 0.00 C ATOM 1693 C HIS B 17 -11.005 -5.297 11.231 1.00 0.00 C ATOM 1694 O HIS B 17 -11.334 -5.988 12.188 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.029 -2.764 11.514 1.00 0.00 C ATOM 1696 CG HIS B 17 -11.813 -2.590 12.790 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -11.283 -2.474 14.059 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -13.144 -2.280 12.869 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -12.280 -2.087 14.872 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -13.436 -1.969 14.198 1.00 0.00 N ATOM 0 H HIS B 17 -9.312 -3.045 9.863 1.00 0.00 H new ATOM 0 HA HIS B 17 -9.701 -4.160 12.438 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -10.380 -1.899 11.380 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -11.723 -2.775 10.674 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -13.845 -2.277 12.047 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -12.167 -1.896 15.929 1.00 0.00 H new ATOM 0 HE2 HIS B 17 -14.344 -1.705 14.580 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.306 -5.622 9.968 1.00 0.00 N ATOM 1709 CA LYS B 18 -11.996 -6.848 9.586 1.00 0.00 C ATOM 1710 C LYS B 18 -11.339 -8.070 10.235 1.00 0.00 C ATOM 1711 O LYS B 18 -12.029 -8.902 10.820 1.00 0.00 O ATOM 1712 CB LYS B 18 -12.017 -6.955 8.052 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.638 -8.257 7.526 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.588 -8.267 5.993 1.00 0.00 C ATOM 1715 CE LYS B 18 -13.031 -9.628 5.445 1.00 0.00 C ATOM 1716 NZ LYS B 18 -12.901 -9.689 3.978 1.00 0.00 N ATOM 0 H LYS B 18 -11.071 -5.027 9.174 1.00 0.00 H new ATOM 0 HA LYS B 18 -13.024 -6.817 9.947 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.573 -6.110 7.647 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.996 -6.874 7.678 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.098 -9.116 7.923 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.670 -8.344 7.867 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -13.234 -7.483 5.598 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.575 -8.046 5.656 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.430 -10.417 5.898 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -14.067 -9.815 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.502 -10.453 3.608 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.199 -8.782 3.565 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -11.910 -9.875 3.725 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.012 -8.190 10.130 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.304 -9.370 10.616 1.00 0.00 C ATOM 1732 C TYR B 19 -8.914 -9.212 12.086 1.00 0.00 C ATOM 1733 O TYR B 19 -8.919 -10.193 12.825 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.098 -9.676 9.721 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.486 -10.302 8.391 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -8.936 -9.490 7.335 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.480 -11.701 8.238 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -9.325 -10.066 6.113 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -8.918 -12.280 7.033 1.00 0.00 C ATOM 1740 CZ TYR B 19 -9.323 -11.463 5.965 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.762 -12.034 4.808 1.00 0.00 O ATOM 0 H TYR B 19 -9.409 -7.481 9.712 1.00 0.00 H new ATOM 0 HA TYR B 19 -9.975 -10.228 10.562 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.548 -8.754 9.535 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.423 -10.349 10.249 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.983 -8.419 7.463 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.139 -12.331 9.046 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.625 -9.435 5.289 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -8.943 -13.355 6.929 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.902 -11.338 4.132 1.00 0.00 H new ATOM 1751 N SER B 20 -8.603 -7.992 12.532 1.00 0.00 N ATOM 1752 CA SER B 20 -8.314 -7.745 13.940 1.00 0.00 C ATOM 1753 C SER B 20 -9.548 -8.035 14.807 1.00 0.00 C ATOM 1754 O SER B 20 -9.429 -8.625 15.881 1.00 0.00 O ATOM 1755 CB SER B 20 -7.816 -6.309 14.137 1.00 0.00 C ATOM 1756 OG SER B 20 -6.765 -6.001 13.244 1.00 0.00 O ATOM 0 H SER B 20 -8.546 -7.165 11.938 1.00 0.00 H new ATOM 0 HA SER B 20 -7.522 -8.422 14.259 1.00 0.00 H new ATOM 0 HB2 SER B 20 -8.640 -5.612 13.985 1.00 0.00 H new ATOM 0 HB3 SER B 20 -7.473 -6.179 15.163 1.00 0.00 H new ATOM 0 HG SER B 20 -7.133 -5.831 12.352 1.00 0.00 H new ATOM 1847 N HIS B 27 -7.542 -3.545 17.177 1.00 0.00 N ATOM 1848 CA HIS B 27 -6.618 -2.577 16.619 1.00 0.00 C ATOM 1849 C HIS B 27 -5.191 -3.151 16.650 1.00 0.00 C ATOM 1850 O HIS B 27 -4.226 -2.426 16.400 1.00 0.00 O ATOM 1851 CB HIS B 27 -6.737 -1.273 17.416 1.00 0.00 C ATOM 1852 CG HIS B 27 -8.170 -0.868 17.684 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -8.810 -0.946 18.901 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -9.125 -0.582 16.745 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -10.109 -0.673 18.699 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -10.355 -0.460 17.396 1.00 0.00 N ATOM 0 HA HIS B 27 -6.857 -2.363 15.577 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.214 -1.386 18.366 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -6.236 -0.474 16.870 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -8.956 -0.470 15.684 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -10.855 -0.630 19.479 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -11.257 -0.251 16.968 1.00 0.00 H new ATOM 1864 N THR B 28 -5.055 -4.452 16.938 1.00 0.00 N ATOM 1865 CA THR B 28 -3.818 -5.209 16.876 1.00 0.00 C ATOM 1866 C THR B 28 -4.143 -6.578 16.283 1.00 0.00 C ATOM 1867 O THR B 28 -5.300 -7.000 16.332 1.00 0.00 O ATOM 1868 CB THR B 28 -3.227 -5.379 18.282 1.00 0.00 C ATOM 1869 OG1 THR B 28 -4.158 -5.995 19.151 1.00 0.00 O ATOM 1870 CG2 THR B 28 -2.757 -4.064 18.898 1.00 0.00 C ATOM 0 H THR B 28 -5.847 -5.023 17.233 1.00 0.00 H new ATOM 0 HA THR B 28 -3.086 -4.686 16.261 1.00 0.00 H new ATOM 0 HB THR B 28 -2.352 -6.018 18.161 1.00 0.00 H new ATOM 0 HG1 THR B 28 -3.759 -6.095 20.041 1.00 0.00 H new ATOM 0 HG21 THR B 28 -2.350 -4.253 19.891 1.00 0.00 H new ATOM 0 HG22 THR B 28 -1.985 -3.622 18.267 1.00 0.00 H new ATOM 0 HG23 THR B 28 -3.600 -3.377 18.976 1.00 0.00 H new ATOM 1878 N LEU B 29 -3.145 -7.272 15.732 1.00 0.00 N ATOM 1879 CA LEU B 29 -3.300 -8.656 15.302 1.00 0.00 C ATOM 1880 C LEU B 29 -1.929 -9.315 15.152 1.00 0.00 C ATOM 1881 O LEU B 29 -0.932 -8.645 15.406 1.00 0.00 O ATOM 1882 CB LEU B 29 -4.198 -8.757 14.059 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.908 -7.743 12.942 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -2.452 -7.781 12.477 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.812 -8.017 11.739 1.00 0.00 C ATOM 0 H LEU B 29 -2.213 -6.890 15.574 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.826 -9.224 16.070 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -4.103 -9.761 13.646 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -5.235 -8.638 14.372 1.00 0.00 H new ATOM 0 HG LEU B 29 -4.105 -6.755 13.358 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.303 -7.045 11.687 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.796 -7.551 13.316 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.218 -8.775 12.095 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -4.600 -7.293 10.952 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.626 -9.024 11.366 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.856 -7.929 12.041 1.00 0.00 H new ATOM 1897 N SER B 30 -1.848 -10.601 14.782 1.00 0.00 N ATOM 1898 CA SER B 30 -0.572 -11.306 14.685 1.00 0.00 C ATOM 1899 C SER B 30 -0.466 -12.154 13.408 1.00 0.00 C ATOM 1900 O SER B 30 -1.246 -12.006 12.465 1.00 0.00 O ATOM 1901 CB SER B 30 -0.343 -12.143 15.957 1.00 0.00 C ATOM 1902 OG SER B 30 1.009 -12.563 16.047 1.00 0.00 O ATOM 0 H SER B 30 -2.659 -11.173 14.545 1.00 0.00 H new ATOM 0 HA SER B 30 0.222 -10.563 14.611 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.605 -11.555 16.837 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.999 -13.013 15.948 1.00 0.00 H new ATOM 0 HG SER B 30 1.134 -13.092 16.863 1.00 0.00 H new ATOM 1908 N LYS B 31 0.531 -13.045 13.400 1.00 0.00 N ATOM 1909 CA LYS B 31 0.981 -13.834 12.261 1.00 0.00 C ATOM 1910 C LYS B 31 -0.175 -14.490 11.507 1.00 0.00 C ATOM 1911 O LYS B 31 -0.290 -14.333 10.295 1.00 0.00 O ATOM 1912 CB LYS B 31 2.058 -14.844 12.699 1.00 0.00 C ATOM 1913 CG LYS B 31 1.671 -15.742 13.884 1.00 0.00 C ATOM 1914 CD LYS B 31 2.821 -16.704 14.208 1.00 0.00 C ATOM 1915 CE LYS B 31 2.422 -17.701 15.303 1.00 0.00 C ATOM 1916 NZ LYS B 31 2.216 -17.036 16.602 1.00 0.00 N ATOM 0 H LYS B 31 1.074 -13.242 14.241 1.00 0.00 H new ATOM 0 HA LYS B 31 1.439 -13.153 11.544 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.305 -15.479 11.848 1.00 0.00 H new ATOM 0 HB3 LYS B 31 2.963 -14.295 12.960 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.441 -15.129 14.756 1.00 0.00 H new ATOM 0 HG3 LYS B 31 0.770 -16.306 13.645 1.00 0.00 H new ATOM 0 HD2 LYS B 31 3.109 -17.246 13.307 1.00 0.00 H new ATOM 0 HD3 LYS B 31 3.693 -16.136 14.531 1.00 0.00 H new ATOM 0 HE2 LYS B 31 1.507 -18.216 15.010 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.197 -18.461 15.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 2.014 -17.751 17.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 3.074 -16.509 16.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.414 -16.378 16.532 1.00 0.00 H new ATOM 1930 N LYS B 32 -1.043 -15.209 12.222 1.00 0.00 N ATOM 1931 CA LYS B 32 -2.203 -15.872 11.667 1.00 0.00 C ATOM 1932 C LYS B 32 -3.043 -14.898 10.844 1.00 0.00 C ATOM 1933 O LYS B 32 -3.389 -15.170 9.693 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.987 -16.442 12.858 1.00 0.00 C ATOM 1935 CG LYS B 32 -4.233 -17.232 12.463 1.00 0.00 C ATOM 1936 CD LYS B 32 -3.857 -18.381 11.521 1.00 0.00 C ATOM 1937 CE LYS B 32 -4.684 -19.621 11.844 1.00 0.00 C ATOM 1938 NZ LYS B 32 -6.131 -19.365 11.728 1.00 0.00 N ATOM 0 H LYS B 32 -0.947 -15.344 13.229 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.918 -16.671 10.983 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.328 -17.089 13.437 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.282 -15.621 13.511 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.719 -17.628 13.355 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -4.951 -16.573 11.975 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.026 -18.082 10.486 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -2.795 -18.608 11.618 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.404 -20.430 11.169 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.455 -19.956 12.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.609 -20.223 11.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.513 -19.105 12.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.293 -18.586 11.058 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.371 -13.755 11.446 1.00 0.00 N ATOM 1953 CA GLU B 33 -4.225 -12.765 10.826 1.00 0.00 C ATOM 1954 C GLU B 33 -3.507 -12.108 9.653 1.00 0.00 C ATOM 1955 O GLU B 33 -4.150 -11.800 8.660 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.658 -11.710 11.841 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.522 -12.269 12.983 1.00 0.00 C ATOM 1958 CD GLU B 33 -4.751 -13.129 13.981 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -3.565 -12.805 14.221 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -5.352 -14.111 14.466 1.00 0.00 O ATOM 0 H GLU B 33 -3.047 -13.497 12.378 1.00 0.00 H new ATOM 0 HA GLU B 33 -5.118 -13.268 10.454 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.770 -11.241 12.265 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -5.216 -10.929 11.324 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -5.984 -11.438 13.516 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -6.331 -12.862 12.556 1.00 0.00 H new ATOM 1967 N LEU B 34 -2.196 -11.880 9.747 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.421 -11.316 8.643 1.00 0.00 C ATOM 1969 C LEU B 34 -1.363 -12.276 7.453 1.00 0.00 C ATOM 1970 O LEU B 34 -1.603 -11.870 6.314 1.00 0.00 O ATOM 1971 CB LEU B 34 -0.019 -10.943 9.125 1.00 0.00 C ATOM 1972 CG LEU B 34 -0.046 -9.652 9.954 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.175 -9.617 10.869 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.045 -8.402 9.065 1.00 0.00 C ATOM 0 H LEU B 34 -1.646 -12.079 10.583 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.921 -10.411 8.299 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.391 -11.756 9.725 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.642 -10.815 8.268 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.966 -9.648 10.539 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.160 -8.701 11.460 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.155 -10.480 11.535 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.083 -9.645 10.266 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -0.065 -7.510 9.691 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.855 -8.394 8.450 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.925 -8.413 8.421 1.00 0.00 H new ATOM 1986 N LYS B 35 -1.054 -13.550 7.705 1.00 0.00 N ATOM 1987 CA LYS B 35 -1.065 -14.580 6.677 1.00 0.00 C ATOM 1988 C LYS B 35 -2.454 -14.656 6.038 1.00 0.00 C ATOM 1989 O LYS B 35 -2.570 -14.629 4.813 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.628 -15.932 7.255 1.00 0.00 C ATOM 1991 CG LYS B 35 0.879 -15.948 7.546 1.00 0.00 C ATOM 1992 CD LYS B 35 1.290 -17.324 8.086 1.00 0.00 C ATOM 1993 CE LYS B 35 2.789 -17.396 8.401 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.621 -17.171 7.205 1.00 0.00 N ATOM 0 H LYS B 35 -0.790 -13.891 8.629 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.347 -14.319 5.900 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -1.181 -16.134 8.172 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -0.874 -16.728 6.552 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.437 -15.723 6.637 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.127 -15.174 8.272 1.00 0.00 H new ATOM 0 HD2 LYS B 35 0.719 -17.544 8.988 1.00 0.00 H new ATOM 0 HD3 LYS B 35 1.037 -18.091 7.354 1.00 0.00 H new ATOM 0 HE2 LYS B 35 3.036 -16.652 9.158 1.00 0.00 H new ATOM 0 HE3 LYS B 35 3.023 -18.372 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 4.321 -17.936 7.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 3.016 -17.159 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 4.114 -16.259 7.291 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.508 -14.716 6.859 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.875 -14.637 6.366 1.00 0.00 C ATOM 2010 C GLU B 36 -5.069 -13.399 5.493 1.00 0.00 C ATOM 2011 O GLU B 36 -5.447 -13.533 4.339 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.865 -14.639 7.534 1.00 0.00 C ATOM 2013 CG GLU B 36 -6.152 -16.070 7.997 1.00 0.00 C ATOM 2014 CD GLU B 36 -6.818 -16.127 9.370 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -7.245 -15.058 9.860 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -6.886 -17.251 9.914 1.00 0.00 O ATOM 0 H GLU B 36 -3.433 -14.819 7.871 1.00 0.00 H new ATOM 0 HA GLU B 36 -5.068 -15.515 5.750 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.459 -14.058 8.362 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.794 -14.156 7.231 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -6.795 -16.561 7.266 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -5.218 -16.631 8.028 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.819 -12.206 6.032 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.952 -10.938 5.328 1.00 0.00 C ATOM 2025 C LEU B 37 -4.344 -11.042 3.938 1.00 0.00 C ATOM 2026 O LEU B 37 -5.053 -10.892 2.947 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.268 -9.809 6.115 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.196 -9.144 7.137 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.373 -8.394 8.187 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -6.095 -8.137 6.419 1.00 0.00 C ATOM 0 H LEU B 37 -4.510 -12.096 6.998 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.013 -10.706 5.236 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.396 -10.210 6.631 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.906 -9.055 5.417 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.795 -9.914 7.623 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.043 -7.925 8.908 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.717 -9.095 8.703 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.772 -7.627 7.698 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.758 -7.661 7.142 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.479 -7.378 5.937 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.691 -8.653 5.666 1.00 0.00 H new ATOM 2042 N ILE B 38 -3.037 -11.294 3.854 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.378 -11.295 2.560 1.00 0.00 C ATOM 2044 C ILE B 38 -2.945 -12.408 1.671 1.00 0.00 C ATOM 2045 O ILE B 38 -3.309 -12.148 0.530 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.847 -11.285 2.724 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.154 -10.855 1.424 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.292 -12.623 3.217 1.00 0.00 C ATOM 2049 CD1 ILE B 38 1.340 -10.597 1.643 1.00 0.00 C ATOM 0 H ILE B 38 -2.431 -11.495 4.650 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.597 -10.372 2.023 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.627 -10.549 3.497 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -0.284 -11.629 0.668 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.628 -9.952 1.039 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.792 -12.554 3.313 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.728 -12.863 4.187 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.544 -13.407 2.503 1.00 0.00 H new ATOM 0 HD11 ILE B 38 1.799 -10.294 0.702 1.00 0.00 H new ATOM 0 HD12 ILE B 38 1.468 -9.805 2.380 1.00 0.00 H new ATOM 0 HD13 ILE B 38 1.818 -11.508 2.003 1.00 0.00 H new ATOM 2061 N GLN B 39 -3.089 -13.633 2.186 1.00 0.00 N ATOM 2062 CA GLN B 39 -3.569 -14.747 1.380 1.00 0.00 C ATOM 2063 C GLN B 39 -4.976 -14.480 0.821 1.00 0.00 C ATOM 2064 O GLN B 39 -5.215 -14.696 -0.363 1.00 0.00 O ATOM 2065 CB GLN B 39 -3.508 -16.038 2.206 1.00 0.00 C ATOM 2066 CG GLN B 39 -3.833 -17.281 1.364 1.00 0.00 C ATOM 2067 CD GLN B 39 -3.965 -18.530 2.228 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -5.016 -19.162 2.256 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -2.911 -18.892 2.951 1.00 0.00 N ATOM 0 H GLN B 39 -2.879 -13.873 3.155 1.00 0.00 H new ATOM 0 HA GLN B 39 -2.919 -14.862 0.513 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -2.513 -16.144 2.638 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -4.211 -15.970 3.036 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -4.762 -17.117 0.817 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -3.049 -17.433 0.622 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -2.050 -18.346 2.907 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -2.962 -19.716 3.550 1.00 0.00 H new ATOM 2078 N LYS B 40 -5.917 -14.058 1.668 1.00 0.00 N ATOM 2079 CA LYS B 40 -7.309 -13.849 1.295 1.00 0.00 C ATOM 2080 C LYS B 40 -7.434 -12.575 0.451 1.00 0.00 C ATOM 2081 O LYS B 40 -8.051 -12.589 -0.612 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.213 -13.746 2.542 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.761 -15.056 3.152 1.00 0.00 C ATOM 2084 CD LYS B 40 -7.819 -15.865 4.051 1.00 0.00 C ATOM 2085 CE LYS B 40 -6.924 -16.856 3.303 1.00 0.00 C ATOM 2086 NZ LYS B 40 -7.672 -18.008 2.776 1.00 0.00 N ATOM 0 H LYS B 40 -5.725 -13.850 2.648 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.638 -14.708 0.710 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.653 -13.225 3.318 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -9.064 -13.115 2.286 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -9.651 -14.811 3.731 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -9.081 -15.701 2.333 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.187 -15.174 4.609 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.415 -16.413 4.781 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.428 -16.342 2.480 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.142 -17.211 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -7.004 -18.726 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -8.259 -18.416 3.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.282 -17.697 1.993 1.00 0.00 H new ATOM 2100 N GLU B 41 -6.900 -11.454 0.944 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.130 -10.143 0.352 1.00 0.00 C ATOM 2102 C GLU B 41 -6.160 -9.842 -0.797 1.00 0.00 C ATOM 2103 O GLU B 41 -6.430 -8.946 -1.595 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.062 -9.054 1.434 1.00 0.00 C ATOM 2105 CG GLU B 41 -7.992 -9.312 2.632 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.470 -9.348 2.254 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -9.867 -8.526 1.399 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -10.185 -10.185 2.848 1.00 0.00 O ATOM 0 H GLU B 41 -6.296 -11.435 1.766 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.130 -10.149 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.036 -8.975 1.793 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.318 -8.094 0.987 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.720 -10.260 3.096 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.834 -8.534 3.379 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.033 -10.551 -0.891 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.073 -10.440 -1.984 1.00 0.00 C ATOM 2117 C LEU B 42 -3.701 -11.851 -2.444 1.00 0.00 C ATOM 2118 O LEU B 42 -2.533 -12.230 -2.418 1.00 0.00 O ATOM 2119 CB LEU B 42 -2.831 -9.652 -1.529 1.00 0.00 C ATOM 2120 CG LEU B 42 -3.101 -8.161 -1.272 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -2.091 -7.628 -0.253 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -2.986 -7.353 -2.568 1.00 0.00 C ATOM 0 H LEU B 42 -4.758 -11.237 -0.188 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.513 -9.894 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.440 -10.103 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.055 -9.745 -2.289 1.00 0.00 H new ATOM 0 HG LEU B 42 -4.115 -8.056 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -2.282 -6.571 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -2.190 -8.181 0.681 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -1.081 -7.752 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.181 -6.301 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -1.981 -7.461 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.713 -7.721 -3.292 1.00 0.00 H new ATOM 2243 N ASP B 50 8.169 -11.207 -6.086 1.00 0.00 N ATOM 2244 CA ASP B 50 8.718 -11.808 -4.872 1.00 0.00 C ATOM 2245 C ASP B 50 8.005 -11.263 -3.633 1.00 0.00 C ATOM 2246 O ASP B 50 7.794 -11.989 -2.664 1.00 0.00 O ATOM 2247 CB ASP B 50 10.230 -11.593 -4.719 1.00 0.00 C ATOM 2248 CG ASP B 50 10.638 -10.134 -4.522 1.00 0.00 C ATOM 2249 OD1 ASP B 50 10.111 -9.278 -5.267 1.00 0.00 O ATOM 2250 OD2 ASP B 50 11.464 -9.894 -3.616 1.00 0.00 O ATOM 0 HA ASP B 50 8.548 -12.881 -4.965 1.00 0.00 H new ATOM 0 HB2 ASP B 50 10.584 -12.176 -3.869 1.00 0.00 H new ATOM 0 HB3 ASP B 50 10.733 -11.983 -5.604 1.00 0.00 H new ATOM 2255 N ALA B 51 7.666 -9.971 -3.659 1.00 0.00 N ATOM 2256 CA ALA B 51 7.154 -9.211 -2.528 1.00 0.00 C ATOM 2257 C ALA B 51 6.207 -10.003 -1.629 1.00 0.00 C ATOM 2258 O ALA B 51 6.443 -10.102 -0.431 1.00 0.00 O ATOM 2259 CB ALA B 51 6.452 -7.961 -3.045 1.00 0.00 C ATOM 0 H ALA B 51 7.746 -9.408 -4.506 1.00 0.00 H new ATOM 0 HA ALA B 51 8.012 -8.952 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.066 -7.386 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.161 -7.351 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA B 51 5.627 -8.250 -3.696 1.00 0.00 H new ATOM 2265 N GLU B 52 5.128 -10.552 -2.193 1.00 0.00 N ATOM 2266 CA GLU B 52 4.108 -11.241 -1.412 1.00 0.00 C ATOM 2267 C GLU B 52 4.703 -12.450 -0.682 1.00 0.00 C ATOM 2268 O GLU B 52 4.377 -12.723 0.474 1.00 0.00 O ATOM 2269 CB GLU B 52 2.948 -11.654 -2.333 1.00 0.00 C ATOM 2270 CG GLU B 52 1.668 -11.958 -1.544 1.00 0.00 C ATOM 2271 CD GLU B 52 0.701 -12.841 -2.327 1.00 0.00 C ATOM 2272 OE1 GLU B 52 0.614 -12.644 -3.559 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.106 -13.728 -1.677 1.00 0.00 O ATOM 0 H GLU B 52 4.941 -10.530 -3.196 1.00 0.00 H new ATOM 0 HA GLU B 52 3.722 -10.564 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU B 52 2.752 -10.856 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.237 -12.534 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU B 52 1.929 -12.451 -0.608 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.173 -11.022 -1.284 1.00 0.00 H new ATOM 2280 N ILE B 53 5.585 -13.176 -1.368 1.00 0.00 N ATOM 2281 CA ILE B 53 6.200 -14.382 -0.859 1.00 0.00 C ATOM 2282 C ILE B 53 7.131 -13.959 0.282 1.00 0.00 C ATOM 2283 O ILE B 53 7.059 -14.487 1.390 1.00 0.00 O ATOM 2284 CB ILE B 53 6.943 -15.130 -1.989 1.00 0.00 C ATOM 2285 CG1 ILE B 53 6.118 -15.400 -3.272 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.443 -16.479 -1.453 1.00 0.00 C ATOM 2287 CD1 ILE B 53 5.844 -14.172 -4.138 1.00 0.00 C ATOM 0 H ILE B 53 5.892 -12.930 -2.309 1.00 0.00 H new ATOM 0 HA ILE B 53 5.457 -15.083 -0.480 1.00 0.00 H new ATOM 0 HB ILE B 53 7.751 -14.461 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE B 53 6.645 -16.140 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.164 -15.843 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE B 53 7.968 -17.013 -2.245 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.122 -16.309 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.594 -17.074 -1.116 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.261 -14.465 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.286 -13.436 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.789 -13.737 -4.463 1.00 0.00 H new ATOM 2299 N VAL B 54 7.976 -12.959 0.013 1.00 0.00 N ATOM 2300 CA VAL B 54 8.862 -12.374 1.008 1.00 0.00 C ATOM 2301 C VAL B 54 8.059 -11.928 2.231 1.00 0.00 C ATOM 2302 O VAL B 54 8.467 -12.214 3.349 1.00 0.00 O ATOM 2303 CB VAL B 54 9.692 -11.236 0.389 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.558 -10.527 1.440 1.00 0.00 C ATOM 2305 CG2 VAL B 54 10.624 -11.800 -0.691 1.00 0.00 C ATOM 0 H VAL B 54 8.060 -12.534 -0.910 1.00 0.00 H new ATOM 0 HA VAL B 54 9.573 -13.126 1.351 1.00 0.00 H new ATOM 0 HB VAL B 54 8.990 -10.519 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.129 -9.730 0.964 1.00 0.00 H new ATOM 0 HG12 VAL B 54 9.917 -10.102 2.213 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.243 -11.245 1.891 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.209 -10.990 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.295 -12.534 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.030 -12.278 -1.470 1.00 0.00 H new ATOM 2315 N LYS B 55 6.919 -11.260 2.041 1.00 0.00 N ATOM 2316 CA LYS B 55 6.030 -10.872 3.130 1.00 0.00 C ATOM 2317 C LYS B 55 5.599 -12.103 3.924 1.00 0.00 C ATOM 2318 O LYS B 55 5.753 -12.131 5.144 1.00 0.00 O ATOM 2319 CB LYS B 55 4.820 -10.089 2.598 1.00 0.00 C ATOM 2320 CG LYS B 55 4.877 -8.583 2.888 1.00 0.00 C ATOM 2321 CD LYS B 55 5.948 -7.791 2.123 1.00 0.00 C ATOM 2322 CE LYS B 55 7.387 -7.897 2.647 1.00 0.00 C ATOM 2323 NZ LYS B 55 7.484 -7.608 4.089 1.00 0.00 N ATOM 0 H LYS B 55 6.588 -10.973 1.120 1.00 0.00 H new ATOM 0 HA LYS B 55 6.572 -10.209 3.805 1.00 0.00 H new ATOM 0 HB2 LYS B 55 4.748 -10.239 1.521 1.00 0.00 H new ATOM 0 HB3 LYS B 55 3.912 -10.500 3.039 1.00 0.00 H new ATOM 0 HG2 LYS B 55 3.902 -8.152 2.660 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.045 -8.445 3.956 1.00 0.00 H new ATOM 0 HD2 LYS B 55 5.939 -8.121 1.084 1.00 0.00 H new ATOM 0 HD3 LYS B 55 5.661 -6.739 2.126 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.768 -8.900 2.454 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.023 -7.203 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 8.331 -7.032 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.638 -7.087 4.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.552 -8.501 4.618 1.00 0.00 H new ATOM 2337 N LEU B 56 5.072 -13.124 3.242 1.00 0.00 N ATOM 2338 CA LEU B 56 4.661 -14.358 3.900 1.00 0.00 C ATOM 2339 C LEU B 56 5.791 -14.937 4.761 1.00 0.00 C ATOM 2340 O LEU B 56 5.522 -15.393 5.871 1.00 0.00 O ATOM 2341 CB LEU B 56 4.138 -15.377 2.875 1.00 0.00 C ATOM 2342 CG LEU B 56 2.717 -15.053 2.381 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.441 -15.797 1.069 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.669 -15.474 3.421 1.00 0.00 C ATOM 0 H LEU B 56 4.922 -13.116 2.233 1.00 0.00 H new ATOM 0 HA LEU B 56 3.838 -14.123 4.576 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.816 -15.407 2.022 1.00 0.00 H new ATOM 0 HB3 LEU B 56 4.144 -16.371 3.322 1.00 0.00 H new ATOM 0 HG LEU B 56 2.650 -13.977 2.223 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.434 -15.564 0.724 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.164 -15.486 0.315 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.529 -16.871 1.234 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.672 -15.235 3.050 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.743 -16.547 3.598 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.847 -14.939 4.354 1.00 0.00 H new ATOM 2356 N MET B 57 7.043 -14.920 4.284 1.00 0.00 N ATOM 2357 CA MET B 57 8.164 -15.387 5.099 1.00 0.00 C ATOM 2358 C MET B 57 8.406 -14.412 6.266 1.00 0.00 C ATOM 2359 O MET B 57 8.290 -14.772 7.440 1.00 0.00 O ATOM 2360 CB MET B 57 9.443 -15.550 4.259 1.00 0.00 C ATOM 2361 CG MET B 57 9.354 -16.417 2.992 1.00 0.00 C ATOM 2362 SD MET B 57 8.597 -18.063 3.087 1.00 0.00 S ATOM 2363 CE MET B 57 6.932 -17.731 2.456 1.00 0.00 C ATOM 0 H MET B 57 7.299 -14.593 3.353 1.00 0.00 H new ATOM 0 HA MET B 57 7.907 -16.368 5.499 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.781 -14.557 3.964 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.216 -15.971 4.901 1.00 0.00 H new ATOM 0 HG2 MET B 57 8.803 -15.847 2.244 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.368 -16.545 2.612 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.477 -18.664 2.123 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.324 -17.293 3.247 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.992 -17.037 1.618 1.00 0.00 H new ATOM 2373 N ASP B 58 8.739 -13.165 5.915 1.00 0.00 N ATOM 2374 CA ASP B 58 9.066 -12.046 6.795 1.00 0.00 C ATOM 2375 C ASP B 58 8.102 -11.946 7.968 1.00 0.00 C ATOM 2376 O ASP B 58 8.516 -11.597 9.069 1.00 0.00 O ATOM 2377 CB ASP B 58 9.040 -10.735 5.996 1.00 0.00 C ATOM 2378 CG ASP B 58 9.200 -9.504 6.885 1.00 0.00 C ATOM 2379 OD1 ASP B 58 10.259 -9.409 7.542 1.00 0.00 O ATOM 2380 OD2 ASP B 58 8.263 -8.672 6.886 1.00 0.00 O ATOM 0 H ASP B 58 8.790 -12.895 4.933 1.00 0.00 H new ATOM 0 HA ASP B 58 10.064 -12.221 7.197 1.00 0.00 H new ATOM 0 HB2 ASP B 58 9.839 -10.750 5.254 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.099 -10.665 5.450 1.00 0.00 H new ATOM 2385 N ASP B 59 6.825 -12.250 7.730 1.00 0.00 N ATOM 2386 CA ASP B 59 5.788 -12.296 8.743 1.00 0.00 C ATOM 2387 C ASP B 59 6.295 -12.893 10.058 1.00 0.00 C ATOM 2388 O ASP B 59 6.094 -12.298 11.116 1.00 0.00 O ATOM 2389 CB ASP B 59 4.611 -13.117 8.210 1.00 0.00 C ATOM 2390 CG ASP B 59 3.469 -13.127 9.211 1.00 0.00 C ATOM 2391 OD1 ASP B 59 2.840 -12.060 9.359 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.265 -14.192 9.830 1.00 0.00 O ATOM 0 H ASP B 59 6.481 -12.477 6.797 1.00 0.00 H new ATOM 0 HA ASP B 59 5.472 -11.275 8.957 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.268 -12.699 7.263 1.00 0.00 H new ATOM 0 HB3 ASP B 59 4.934 -14.138 8.009 1.00 0.00 H new ATOM 2397 N LEU B 60 6.961 -14.049 10.014 1.00 0.00 N ATOM 2398 CA LEU B 60 7.442 -14.692 11.233 1.00 0.00 C ATOM 2399 C LEU B 60 8.373 -13.740 11.993 1.00 0.00 C ATOM 2400 O LEU B 60 8.159 -13.454 13.173 1.00 0.00 O ATOM 2401 CB LEU B 60 8.155 -16.014 10.904 1.00 0.00 C ATOM 2402 CG LEU B 60 7.235 -17.215 10.610 1.00 0.00 C ATOM 2403 CD1 LEU B 60 6.411 -17.631 11.836 1.00 0.00 C ATOM 2404 CD2 LEU B 60 6.305 -16.997 9.412 1.00 0.00 C ATOM 0 H LEU B 60 7.177 -14.553 9.154 1.00 0.00 H new ATOM 0 HA LEU B 60 6.589 -14.924 11.870 1.00 0.00 H new ATOM 0 HB2 LEU B 60 8.799 -15.853 10.039 1.00 0.00 H new ATOM 0 HB3 LEU B 60 8.804 -16.273 11.740 1.00 0.00 H new ATOM 0 HG LEU B 60 7.916 -18.025 10.351 1.00 0.00 H new ATOM 0 HD11 LEU B 60 5.779 -18.481 11.578 1.00 0.00 H new ATOM 0 HD12 LEU B 60 7.082 -17.911 12.648 1.00 0.00 H new ATOM 0 HD13 LEU B 60 5.786 -16.797 12.154 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.687 -17.883 9.265 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.664 -16.135 9.601 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.901 -16.817 8.517 1.00 0.00 H new ATOM 2416 N ASP B 61 9.395 -13.237 11.298 1.00 0.00 N ATOM 2417 CA ASP B 61 10.403 -12.341 11.850 1.00 0.00 C ATOM 2418 C ASP B 61 9.768 -11.048 12.356 1.00 0.00 C ATOM 2419 O ASP B 61 10.175 -10.522 13.386 1.00 0.00 O ATOM 2420 CB ASP B 61 11.461 -12.019 10.785 1.00 0.00 C ATOM 2421 CG ASP B 61 12.089 -13.275 10.192 1.00 0.00 C ATOM 2422 OD1 ASP B 61 11.441 -13.855 9.294 1.00 0.00 O ATOM 2423 OD2 ASP B 61 13.194 -13.635 10.652 1.00 0.00 O ATOM 0 H ASP B 61 9.545 -13.449 10.312 1.00 0.00 H new ATOM 0 HA ASP B 61 10.879 -12.843 12.692 1.00 0.00 H new ATOM 0 HB2 ASP B 61 11.003 -11.434 9.988 1.00 0.00 H new ATOM 0 HB3 ASP B 61 12.241 -11.400 11.227 1.00 0.00 H new ATOM 2428 N ARG B 62 8.787 -10.523 11.622 1.00 0.00 N ATOM 2429 CA ARG B 62 8.071 -9.313 11.989 1.00 0.00 C ATOM 2430 C ARG B 62 7.335 -9.525 13.309 1.00 0.00 C ATOM 2431 O ARG B 62 7.495 -8.743 14.243 1.00 0.00 O ATOM 2432 CB ARG B 62 7.108 -8.933 10.857 1.00 0.00 C ATOM 2433 CG ARG B 62 6.329 -7.643 11.158 1.00 0.00 C ATOM 2434 CD ARG B 62 5.380 -7.297 10.005 1.00 0.00 C ATOM 2435 NE ARG B 62 6.135 -7.128 8.758 1.00 0.00 N ATOM 2436 CZ ARG B 62 6.391 -5.982 8.114 1.00 0.00 C ATOM 2437 NH1 ARG B 62 5.801 -4.829 8.447 1.00 0.00 N ATOM 2438 NH2 ARG B 62 7.266 -6.016 7.104 1.00 0.00 N ATOM 0 H ARG B 62 8.467 -10.935 10.746 1.00 0.00 H new ATOM 0 HA ARG B 62 8.772 -8.491 12.132 1.00 0.00 H new ATOM 0 HB2 ARG B 62 7.671 -8.807 9.932 1.00 0.00 H new ATOM 0 HB3 ARG B 62 6.404 -9.749 10.693 1.00 0.00 H new ATOM 0 HG2 ARG B 62 5.760 -7.764 12.080 1.00 0.00 H new ATOM 0 HG3 ARG B 62 7.027 -6.821 11.320 1.00 0.00 H new ATOM 0 HD2 ARG B 62 4.639 -8.087 9.885 1.00 0.00 H new ATOM 0 HD3 ARG B 62 4.835 -6.381 10.235 1.00 0.00 H new ATOM 0 HE ARG B 62 6.506 -7.978 8.334 1.00 0.00 H new ATOM 0 HH11 ARG B 62 5.130 -4.802 9.215 1.00 0.00 H new ATOM 0 HH12 ARG B 62 6.022 -3.976 7.933 1.00 0.00 H new ATOM 0 HH21 ARG B 62 7.714 -6.895 6.847 1.00 0.00 H new ATOM 0 HH22 ARG B 62 7.486 -5.162 6.591 1.00 0.00 H new ATOM 2452 N ASN B 63 6.500 -10.564 13.375 1.00 0.00 N ATOM 2453 CA ASN B 63 5.643 -10.776 14.533 1.00 0.00 C ATOM 2454 C ASN B 63 6.457 -11.183 15.750 1.00 0.00 C ATOM 2455 O ASN B 63 6.187 -10.706 16.848 1.00 0.00 O ATOM 2456 CB ASN B 63 4.577 -11.843 14.262 1.00 0.00 C ATOM 2457 CG ASN B 63 3.475 -11.329 13.348 1.00 0.00 C ATOM 2458 OD1 ASN B 63 2.488 -10.767 13.803 1.00 0.00 O ATOM 2459 ND2 ASN B 63 3.629 -11.536 12.048 1.00 0.00 N ATOM 0 H ASN B 63 6.402 -11.266 12.642 1.00 0.00 H new ATOM 0 HA ASN B 63 5.146 -9.827 14.732 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.046 -12.717 13.809 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.142 -12.169 15.207 1.00 0.00 H new ATOM 0 HD21 ASN B 63 2.912 -11.223 11.393 1.00 0.00 H new ATOM 0 HD22 ASN B 63 4.465 -12.008 11.702 1.00 0.00 H new ATOM 2517 N GLU B 67 1.627 -9.625 18.996 1.00 0.00 N ATOM 2518 CA GLU B 67 0.581 -8.866 18.331 1.00 0.00 C ATOM 2519 C GLU B 67 1.180 -7.555 17.817 1.00 0.00 C ATOM 2520 O GLU B 67 1.612 -6.724 18.614 1.00 0.00 O ATOM 2521 CB GLU B 67 -0.583 -8.609 19.300 1.00 0.00 C ATOM 2522 CG GLU B 67 -1.455 -9.854 19.536 1.00 0.00 C ATOM 2523 CD GLU B 67 -0.684 -11.028 20.130 1.00 0.00 C ATOM 2524 OE1 GLU B 67 -0.047 -10.814 21.184 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -0.728 -12.111 19.506 1.00 0.00 O ATOM 0 HA GLU B 67 0.184 -9.429 17.486 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -0.185 -8.265 20.255 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -1.206 -7.806 18.906 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -2.276 -9.593 20.204 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -1.900 -10.162 18.590 1.00 0.00 H new ATOM 2532 N VAL B 68 1.202 -7.364 16.497 1.00 0.00 N ATOM 2533 CA VAL B 68 1.593 -6.107 15.883 1.00 0.00 C ATOM 2534 C VAL B 68 0.415 -5.132 15.951 1.00 0.00 C ATOM 2535 O VAL B 68 -0.743 -5.560 16.011 1.00 0.00 O ATOM 2536 CB VAL B 68 2.064 -6.328 14.432 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.279 -7.262 14.376 1.00 0.00 C ATOM 2538 CG2 VAL B 68 0.979 -6.827 13.477 1.00 0.00 C ATOM 0 H VAL B 68 0.946 -8.087 15.824 1.00 0.00 H new ATOM 0 HA VAL B 68 2.435 -5.680 16.428 1.00 0.00 H new ATOM 0 HB VAL B 68 2.343 -5.335 14.081 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.586 -7.397 13.339 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.100 -6.825 14.944 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.015 -8.229 14.805 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.402 -6.954 12.480 1.00 0.00 H new ATOM 0 HG22 VAL B 68 0.594 -7.783 13.832 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.167 -6.101 13.437 1.00 0.00 H new ATOM 2548 N ASN B 69 0.709 -3.827 15.921 1.00 0.00 N ATOM 2549 CA ASN B 69 -0.301 -2.785 15.794 1.00 0.00 C ATOM 2550 C ASN B 69 -0.360 -2.269 14.359 1.00 0.00 C ATOM 2551 O ASN B 69 0.483 -2.597 13.517 1.00 0.00 O ATOM 2552 CB ASN B 69 -0.094 -1.646 16.813 1.00 0.00 C ATOM 2553 CG ASN B 69 0.921 -0.585 16.378 1.00 0.00 C ATOM 2554 OD1 ASN B 69 0.704 0.150 15.417 1.00 0.00 O ATOM 2555 ND2 ASN B 69 2.033 -0.474 17.096 1.00 0.00 N ATOM 0 H ASN B 69 1.662 -3.468 15.985 1.00 0.00 H new ATOM 0 HA ASN B 69 -1.268 -3.228 16.030 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -1.053 -1.161 16.997 1.00 0.00 H new ATOM 0 HB3 ASN B 69 0.232 -2.077 17.760 1.00 0.00 H new ATOM 0 HD21 ASN B 69 2.728 0.232 16.854 1.00 0.00 H new ATOM 0 HD22 ASN B 69 2.192 -1.095 17.889 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.376 -1.434 14.126 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.669 -0.754 12.878 1.00 0.00 C ATOM 2564 C PHE B 70 -0.424 -0.410 12.060 1.00 0.00 C ATOM 2565 O PHE B 70 -0.322 -0.845 10.922 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.501 0.498 13.175 1.00 0.00 C ATOM 2567 CG PHE B 70 -2.957 1.251 11.940 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -3.851 0.643 11.040 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.510 2.564 11.701 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.322 1.354 9.924 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -2.999 3.281 10.598 1.00 0.00 C ATOM 2572 CZ PHE B 70 -3.907 2.680 9.709 1.00 0.00 C ATOM 0 H PHE B 70 -2.053 -1.206 14.854 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.238 -1.443 12.254 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.378 0.208 13.754 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -1.914 1.171 13.800 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.176 -0.373 11.208 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -1.791 3.020 12.366 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.003 0.882 9.231 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -2.676 4.298 10.432 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.285 3.235 8.863 1.00 0.00 H new ATOM 2582 N GLN B 71 0.530 0.358 12.590 1.00 0.00 N ATOM 2583 CA GLN B 71 1.597 0.878 11.740 1.00 0.00 C ATOM 2584 C GLN B 71 2.497 -0.237 11.192 1.00 0.00 C ATOM 2585 O GLN B 71 2.915 -0.198 10.032 1.00 0.00 O ATOM 2586 CB GLN B 71 2.399 1.961 12.475 1.00 0.00 C ATOM 2587 CG GLN B 71 3.124 2.885 11.481 1.00 0.00 C ATOM 2588 CD GLN B 71 2.149 3.707 10.637 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.165 4.227 11.151 1.00 0.00 O ATOM 2590 NE2 GLN B 71 2.404 3.825 9.336 1.00 0.00 N ATOM 0 H GLN B 71 0.585 0.626 13.573 1.00 0.00 H new ATOM 0 HA GLN B 71 1.130 1.344 10.872 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.730 2.550 13.102 1.00 0.00 H new ATOM 0 HB3 GLN B 71 3.127 1.492 13.137 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.784 3.558 12.029 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.754 2.285 10.824 1.00 0.00 H new ATOM 0 HE21 GLN B 71 3.231 3.381 8.936 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.773 4.359 8.739 1.00 0.00 H new ATOM 2599 N GLU B 72 2.800 -1.248 12.011 1.00 0.00 N ATOM 2600 CA GLU B 72 3.611 -2.370 11.558 1.00 0.00 C ATOM 2601 C GLU B 72 2.820 -3.205 10.549 1.00 0.00 C ATOM 2602 O GLU B 72 3.391 -3.676 9.562 1.00 0.00 O ATOM 2603 CB GLU B 72 4.069 -3.244 12.723 1.00 0.00 C ATOM 2604 CG GLU B 72 4.852 -2.488 13.804 1.00 0.00 C ATOM 2605 CD GLU B 72 3.919 -1.861 14.831 1.00 0.00 C ATOM 2606 OE1 GLU B 72 3.234 -2.650 15.521 1.00 0.00 O ATOM 2607 OE2 GLU B 72 3.888 -0.612 14.890 1.00 0.00 O ATOM 0 H GLU B 72 2.496 -1.308 12.983 1.00 0.00 H new ATOM 0 HA GLU B 72 4.504 -1.968 11.079 1.00 0.00 H new ATOM 0 HB2 GLU B 72 3.195 -3.708 13.180 1.00 0.00 H new ATOM 0 HB3 GLU B 72 4.692 -4.050 12.335 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.538 -3.172 14.304 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.459 -1.711 13.339 1.00 0.00 H new ATOM 2614 N TYR B 73 1.514 -3.375 10.796 1.00 0.00 N ATOM 2615 CA TYR B 73 0.620 -3.996 9.828 1.00 0.00 C ATOM 2616 C TYR B 73 0.715 -3.249 8.493 1.00 0.00 C ATOM 2617 O TYR B 73 1.014 -3.857 7.469 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.828 -4.056 10.349 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.897 -3.899 9.275 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.154 -4.944 8.367 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.534 -2.655 9.096 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.081 -4.759 7.323 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.414 -2.456 8.019 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.730 -3.525 7.165 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.724 -3.393 6.239 1.00 0.00 O ATOM 0 H TYR B 73 1.059 -3.088 11.662 1.00 0.00 H new ATOM 0 HA TYR B 73 0.932 -5.029 9.672 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -0.978 -5.009 10.856 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -0.964 -3.273 11.095 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.640 -5.888 8.471 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.345 -1.850 9.791 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.293 -5.570 6.642 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.847 -1.482 7.848 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.353 -2.701 6.531 1.00 0.00 H new ATOM 2635 N ILE B 74 0.485 -1.931 8.505 1.00 0.00 N ATOM 2636 CA ILE B 74 0.575 -1.091 7.320 1.00 0.00 C ATOM 2637 C ILE B 74 1.907 -1.358 6.640 1.00 0.00 C ATOM 2638 O ILE B 74 1.942 -1.597 5.440 1.00 0.00 O ATOM 2639 CB ILE B 74 0.425 0.406 7.665 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -0.988 0.777 8.155 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.780 1.276 6.458 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -2.054 0.784 7.052 1.00 0.00 C ATOM 0 H ILE B 74 0.229 -1.419 9.349 1.00 0.00 H new ATOM 0 HA ILE B 74 -0.245 -1.339 6.646 1.00 0.00 H new ATOM 0 HB ILE B 74 1.118 0.595 8.484 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.288 0.072 8.930 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -0.953 1.764 8.617 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.668 2.328 6.722 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.811 1.084 6.162 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.114 1.037 5.629 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.019 1.055 7.480 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.780 1.510 6.286 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.121 -0.208 6.605 1.00 0.00 H new ATOM 2654 N THR B 75 3.000 -1.352 7.400 1.00 0.00 N ATOM 2655 CA THR B 75 4.329 -1.583 6.855 1.00 0.00 C ATOM 2656 C THR B 75 4.485 -2.947 6.175 1.00 0.00 C ATOM 2657 O THR B 75 5.354 -3.093 5.320 1.00 0.00 O ATOM 2658 CB THR B 75 5.385 -1.248 7.920 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.144 0.070 8.389 1.00 0.00 O ATOM 2660 CG2 THR B 75 6.811 -1.296 7.363 1.00 0.00 C ATOM 0 H THR B 75 2.986 -1.187 8.407 1.00 0.00 H new ATOM 0 HA THR B 75 4.495 -0.898 6.023 1.00 0.00 H new ATOM 0 HB THR B 75 5.304 -1.990 8.714 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.374 0.066 8.995 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.519 -1.052 8.155 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.020 -2.297 6.985 1.00 0.00 H new ATOM 0 HG23 THR B 75 6.910 -0.574 6.553 1.00 0.00 H new ATOM 2668 N PHE B 76 3.636 -3.933 6.477 1.00 0.00 N ATOM 2669 CA PHE B 76 3.590 -5.170 5.702 1.00 0.00 C ATOM 2670 C PHE B 76 3.209 -4.822 4.256 1.00 0.00 C ATOM 2671 O PHE B 76 3.885 -5.205 3.301 1.00 0.00 O ATOM 2672 CB PHE B 76 2.582 -6.134 6.358 1.00 0.00 C ATOM 2673 CG PHE B 76 2.708 -7.605 6.005 1.00 0.00 C ATOM 2674 CD1 PHE B 76 3.873 -8.304 6.369 1.00 0.00 C ATOM 2675 CD2 PHE B 76 1.572 -8.327 5.587 1.00 0.00 C ATOM 2676 CE1 PHE B 76 3.920 -9.706 6.282 1.00 0.00 C ATOM 2677 CE2 PHE B 76 1.609 -9.732 5.529 1.00 0.00 C ATOM 2678 CZ PHE B 76 2.790 -10.421 5.853 1.00 0.00 C ATOM 0 H PHE B 76 2.973 -3.896 7.252 1.00 0.00 H new ATOM 0 HA PHE B 76 4.559 -5.669 5.686 1.00 0.00 H new ATOM 0 HB2 PHE B 76 2.674 -6.036 7.440 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.577 -5.806 6.092 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.738 -7.759 6.718 1.00 0.00 H new ATOM 0 HD2 PHE B 76 0.671 -7.800 5.310 1.00 0.00 H new ATOM 0 HE1 PHE B 76 4.825 -10.233 6.545 1.00 0.00 H new ATOM 0 HE2 PHE B 76 0.728 -10.282 5.235 1.00 0.00 H new ATOM 0 HZ PHE B 76 2.829 -11.497 5.772 1.00 0.00 H new ATOM 2688 N LEU B 77 2.144 -4.029 4.104 1.00 0.00 N ATOM 2689 CA LEU B 77 1.629 -3.588 2.813 1.00 0.00 C ATOM 2690 C LEU B 77 2.572 -2.567 2.167 1.00 0.00 C ATOM 2691 O LEU B 77 2.799 -2.591 0.961 1.00 0.00 O ATOM 2692 CB LEU B 77 0.221 -3.000 2.985 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.750 -3.905 3.763 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -2.114 -3.213 3.844 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.908 -5.284 3.110 1.00 0.00 C ATOM 0 H LEU B 77 1.608 -3.671 4.894 1.00 0.00 H new ATOM 0 HA LEU B 77 1.570 -4.450 2.148 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.300 -2.043 3.500 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.199 -2.798 2.000 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.339 -4.065 4.760 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.811 -3.846 4.394 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -2.008 -2.258 4.359 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.496 -3.042 2.837 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.603 -5.886 3.695 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.295 -5.165 2.098 1.00 0.00 H new ATOM 0 HD23 LEU B 77 0.061 -5.782 3.072 1.00 0.00 H new ATOM 2707 N GLY B 78 3.135 -1.665 2.969 1.00 0.00 N ATOM 2708 CA GLY B 78 4.113 -0.683 2.533 1.00 0.00 C ATOM 2709 C GLY B 78 5.323 -1.385 1.926 1.00 0.00 C ATOM 2710 O GLY B 78 5.740 -1.067 0.815 1.00 0.00 O ATOM 0 H GLY B 78 2.915 -1.599 3.963 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.665 -0.013 1.799 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.425 -0.068 3.378 1.00 0.00 H new ATOM 2714 N ALA B 79 5.869 -2.369 2.641 1.00 0.00 N ATOM 2715 CA ALA B 79 6.962 -3.188 2.147 1.00 0.00 C ATOM 2716 C ALA B 79 6.540 -3.948 0.887 1.00 0.00 C ATOM 2717 O ALA B 79 7.282 -3.970 -0.091 1.00 0.00 O ATOM 2718 CB ALA B 79 7.425 -4.131 3.258 1.00 0.00 C ATOM 0 H ALA B 79 5.561 -2.617 3.581 1.00 0.00 H new ATOM 0 HA ALA B 79 7.801 -2.552 1.865 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.246 -4.748 2.893 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.764 -3.547 4.114 1.00 0.00 H new ATOM 0 HB3 ALA B 79 6.596 -4.771 3.561 1.00 0.00 H new ATOM 2724 N LEU B 80 5.349 -4.561 0.894 1.00 0.00 N ATOM 2725 CA LEU B 80 4.820 -5.271 -0.267 1.00 0.00 C ATOM 2726 C LEU B 80 4.878 -4.371 -1.505 1.00 0.00 C ATOM 2727 O LEU B 80 5.479 -4.725 -2.522 1.00 0.00 O ATOM 2728 CB LEU B 80 3.380 -5.724 0.017 1.00 0.00 C ATOM 2729 CG LEU B 80 2.745 -6.518 -1.132 1.00 0.00 C ATOM 2730 CD1 LEU B 80 3.230 -7.965 -1.100 1.00 0.00 C ATOM 2731 CD2 LEU B 80 1.224 -6.496 -0.984 1.00 0.00 C ATOM 0 H LEU B 80 4.730 -4.576 1.705 1.00 0.00 H new ATOM 0 HA LEU B 80 5.429 -6.154 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.373 -6.337 0.918 1.00 0.00 H new ATOM 0 HB3 LEU B 80 2.767 -4.847 0.223 1.00 0.00 H new ATOM 0 HG LEU B 80 3.033 -6.063 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU B 80 2.773 -8.520 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU B 80 4.315 -7.988 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU B 80 2.949 -8.422 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU B 80 0.771 -7.060 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU B 80 0.945 -6.947 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU B 80 0.870 -5.465 -1.015 1.00 0.00 H new ATOM 2743 N ALA B 81 4.251 -3.197 -1.387 1.00 0.00 N ATOM 2744 CA ALA B 81 4.254 -2.164 -2.402 1.00 0.00 C ATOM 2745 C ALA B 81 5.684 -1.864 -2.832 1.00 0.00 C ATOM 2746 O ALA B 81 6.008 -2.007 -4.008 1.00 0.00 O ATOM 2747 CB ALA B 81 3.572 -0.906 -1.857 1.00 0.00 C ATOM 0 H ALA B 81 3.716 -2.942 -0.557 1.00 0.00 H new ATOM 0 HA ALA B 81 3.700 -2.508 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.575 -0.130 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.544 -1.140 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA B 81 4.111 -0.552 -0.978 1.00 0.00 H new ATOM 2753 N MET B 82 6.526 -1.457 -1.877 1.00 0.00 N ATOM 2754 CA MET B 82 7.903 -1.066 -2.123 1.00 0.00 C ATOM 2755 C MET B 82 8.644 -2.125 -2.940 1.00 0.00 C ATOM 2756 O MET B 82 9.367 -1.781 -3.871 1.00 0.00 O ATOM 2757 CB MET B 82 8.602 -0.759 -0.791 1.00 0.00 C ATOM 2758 CG MET B 82 9.996 -0.159 -1.016 1.00 0.00 C ATOM 2759 SD MET B 82 10.974 0.181 0.471 1.00 0.00 S ATOM 2760 CE MET B 82 9.987 1.480 1.247 1.00 0.00 C ATOM 0 H MET B 82 6.257 -1.392 -0.895 1.00 0.00 H new ATOM 0 HA MET B 82 7.913 -0.156 -2.723 1.00 0.00 H new ATOM 0 HB2 MET B 82 7.994 -0.064 -0.211 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.688 -1.674 -0.204 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.563 -0.840 -1.650 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.882 0.772 -1.571 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.507 1.855 2.128 1.00 0.00 H new ATOM 0 HE2 MET B 82 9.838 2.295 0.539 1.00 0.00 H new ATOM 0 HE3 MET B 82 9.019 1.074 1.542 1.00 0.00 H new ATOM 2770 N ILE B 83 8.487 -3.405 -2.589 1.00 0.00 N ATOM 2771 CA ILE B 83 9.149 -4.478 -3.311 1.00 0.00 C ATOM 2772 C ILE B 83 8.540 -4.652 -4.708 1.00 0.00 C ATOM 2773 O ILE B 83 9.279 -4.536 -5.686 1.00 0.00 O ATOM 2774 CB ILE B 83 9.178 -5.785 -2.498 1.00 0.00 C ATOM 2775 CG1 ILE B 83 9.982 -5.628 -1.195 1.00 0.00 C ATOM 2776 CG2 ILE B 83 9.818 -6.898 -3.343 1.00 0.00 C ATOM 2777 CD1 ILE B 83 9.831 -6.862 -0.292 1.00 0.00 C ATOM 0 H ILE B 83 7.907 -3.716 -1.810 1.00 0.00 H new ATOM 0 HA ILE B 83 10.193 -4.198 -3.454 1.00 0.00 H new ATOM 0 HB ILE B 83 8.150 -6.039 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.035 -5.475 -1.431 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.643 -4.740 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE B 83 9.839 -7.824 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.234 -7.047 -4.251 1.00 0.00 H new ATOM 0 HG23 ILE B 83 10.836 -6.613 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.411 -6.719 0.620 1.00 0.00 H new ATOM 0 HD12 ILE B 83 8.780 -6.999 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.194 -7.745 -0.818 1.00 0.00 H new ATOM 2789 N TYR B 84 7.245 -5.000 -4.835 1.00 0.00 N ATOM 2790 CA TYR B 84 6.739 -5.356 -6.164 1.00 0.00 C ATOM 2791 C TYR B 84 6.622 -4.148 -7.093 1.00 0.00 C ATOM 2792 O TYR B 84 7.004 -4.236 -8.259 1.00 0.00 O ATOM 2793 CB TYR B 84 5.585 -6.381 -6.207 1.00 0.00 C ATOM 2794 CG TYR B 84 4.287 -6.214 -5.427 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.593 -4.989 -5.389 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.603 -7.392 -5.068 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.238 -4.952 -5.003 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.265 -7.355 -4.650 1.00 0.00 C ATOM 2799 CZ TYR B 84 1.566 -6.137 -4.654 1.00 0.00 C ATOM 2800 OH TYR B 84 0.233 -6.130 -4.366 1.00 0.00 O ATOM 0 H TYR B 84 6.566 -5.040 -4.075 1.00 0.00 H new ATOM 0 HA TYR B 84 7.527 -5.964 -6.610 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.303 -6.483 -7.255 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.010 -7.336 -5.897 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.101 -4.074 -5.657 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.118 -8.340 -5.116 1.00 0.00 H new ATOM 0 HE1 TYR B 84 1.713 -4.009 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR B 84 1.774 -8.260 -4.326 1.00 0.00 H new ATOM 0 HH TYR B 84 -0.221 -5.475 -4.936 1.00 0.00 H new ATOM 2810 N ASN B 85 6.195 -2.988 -6.589 1.00 0.00 N ATOM 2811 CA ASN B 85 6.294 -1.744 -7.346 1.00 0.00 C ATOM 2812 C ASN B 85 7.687 -1.182 -7.084 1.00 0.00 C ATOM 2813 O ASN B 85 7.827 -0.094 -6.528 1.00 0.00 O ATOM 2814 CB ASN B 85 5.194 -0.743 -6.967 1.00 0.00 C ATOM 2815 CG ASN B 85 3.816 -1.213 -7.404 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.469 -1.146 -8.578 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.006 -1.681 -6.460 1.00 0.00 N ATOM 0 H ASN B 85 5.779 -2.887 -5.663 1.00 0.00 H new ATOM 0 HA ASN B 85 6.148 -1.935 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.199 -0.591 -5.888 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.409 0.222 -7.426 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.067 -1.997 -6.704 1.00 0.00 H new ATOM 0 HD22 ASN B 85 3.323 -1.725 -5.492 1.00 0.00 H new ATOM 2824 N GLU B 86 8.707 -1.945 -7.497 1.00 0.00 N ATOM 2825 CA GLU B 86 10.123 -1.659 -7.290 1.00 0.00 C ATOM 2826 C GLU B 86 10.468 -0.185 -7.536 1.00 0.00 C ATOM 2827 O GLU B 86 11.274 0.387 -6.805 1.00 0.00 O ATOM 2828 CB GLU B 86 11.004 -2.638 -8.093 1.00 0.00 C ATOM 2829 CG GLU B 86 10.475 -3.082 -9.470 1.00 0.00 C ATOM 2830 CD GLU B 86 10.254 -1.925 -10.434 1.00 0.00 C ATOM 2831 OE1 GLU B 86 11.244 -1.530 -11.089 1.00 0.00 O ATOM 2832 OE2 GLU B 86 9.105 -1.430 -10.476 1.00 0.00 O ATOM 0 H GLU B 86 8.556 -2.816 -8.006 1.00 0.00 H new ATOM 0 HA GLU B 86 10.346 -1.826 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU B 86 11.980 -2.175 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU B 86 11.161 -3.530 -7.486 1.00 0.00 H new ATOM 0 HG2 GLU B 86 11.181 -3.785 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU B 86 9.535 -3.617 -9.335 1.00 0.00 H new ATOM 2839 N ALA B 87 9.817 0.425 -8.533 1.00 0.00 N ATOM 2840 CA ALA B 87 9.808 1.852 -8.825 1.00 0.00 C ATOM 2841 C ALA B 87 9.933 2.714 -7.565 1.00 0.00 C ATOM 2842 O ALA B 87 10.774 3.612 -7.514 1.00 0.00 O ATOM 2843 CB ALA B 87 8.504 2.182 -9.559 1.00 0.00 C ATOM 0 H ALA B 87 9.249 -0.103 -9.195 1.00 0.00 H new ATOM 0 HA ALA B 87 10.676 2.081 -9.444 1.00 0.00 H new ATOM 0 HB1 ALA B 87 8.475 3.247 -9.788 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.453 1.610 -10.485 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.655 1.924 -8.926 1.00 0.00 H new ATOM 2849 N LEU B 88 9.109 2.429 -6.551 1.00 0.00 N ATOM 2850 CA LEU B 88 9.080 3.146 -5.283 1.00 0.00 C ATOM 2851 C LEU B 88 10.470 3.349 -4.693 1.00 0.00 C ATOM 2852 O LEU B 88 10.744 4.417 -4.158 1.00 0.00 O ATOM 2853 CB LEU B 88 8.209 2.391 -4.273 1.00 0.00 C ATOM 2854 CG LEU B 88 6.715 2.674 -4.473 1.00 0.00 C ATOM 2855 CD1 LEU B 88 5.897 1.559 -3.819 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.329 4.008 -3.822 1.00 0.00 C ATOM 0 H LEU B 88 8.427 1.672 -6.596 1.00 0.00 H new ATOM 0 HA LEU B 88 8.659 4.131 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.390 1.320 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.499 2.675 -3.261 1.00 0.00 H new ATOM 0 HG LEU B 88 6.511 2.722 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU B 88 4.834 1.757 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU B 88 6.152 0.604 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU B 88 6.121 1.521 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.266 4.193 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.541 3.966 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU B 88 6.906 4.814 -4.275 1.00 0.00 H new