USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1102 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 83 ASN : amide:sc= -0.481 K(o=-0.48,f=-2.4!) USER MOD Set 2.1: B 26 SER OG : rot -126:sc=-0.00871 USER MOD Set 2.2: B 28 GLN : amide:sc= -0.671 X(o=-0.68,f=-0.4) USER MOD Set 3.1: A 24 GLN : amide:sc= -0.757 K(o=-0.36,f=-2.3!) USER MOD Set 3.2: A 73 HIS : no HE2:sc= 0.398 K(o=-0.36,f=-5.1!) USER MOD Set 4.1: A 46 SER OG : rot -11:sc= 1.25 USER MOD Set 4.2: A 83 ASN : amide:sc= 1.05 K(o=2.3,f=-0.86) USER MOD Set 5.1: A 37 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.12) USER MOD Set 5.2: A 40 THR OG1 : rot 180:sc=-0.00252 USER MOD Set 6.1: A 26 SER OG : rot 114:sc= 0.916 USER MOD Set 6.2: B 24 GLN : amide:sc= 0.841 K(o=1.8,f=-0.39) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -3.49! K(o=-3.5!,f=-1.3) USER MOD Single : A 31 SER OG : rot 77:sc= 0.228 USER MOD Single : A 32 HIS : no HD1:sc= 0.496 K(o=0.5,f=-4.2!) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 1.08 (180deg=0.841) USER MOD Single : A 42 ASN : amide:sc= -0.242 K(o=-0.24,f=-3.6!) USER MOD Single : A 44 SER OG : rot -126:sc= 1.29 USER MOD Single : A 45 GLN : amide:sc= -0.796 K(o=-0.8,f=-4.9!) USER MOD Single : A 49 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.048) USER MOD Single : A 51 SER OG : rot -48:sc= 0.577 USER MOD Single : A 52 SER OG : rot 180:sc= -0.293 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.155 (180deg=-0.638) USER MOD Single : A 61 SER OG : rot -107:sc= 0.958 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.0355 (180deg=-0.218) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0.0906 USER MOD Single : A 80 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.52) USER MOD Single : A 91 TYR OH : rot 55:sc= 1.15 USER MOD Single : A 92 ASN : amide:sc= 1.76 K(o=1.8,f=-7.2!) USER MOD Single : B 27 LYS NZ :NH3+ 168:sc=-0.00284 (180deg=-0.128) USER MOD Single : B 31 SER OG : rot 87:sc= 0.209 USER MOD Single : B 32 HIS : no HD1:sc= -0.365 K(o=0.073,f=-6.8!) USER MOD Single : B 34 LYS NZ :NH3+ -130:sc= 0.215 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 145:sc= 1.22 (180deg=0.566) USER MOD Single : B 40 THR OG1 : rot -107:sc= 0.109 USER MOD Single : B 42 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.2) USER MOD Single : B 44 SER OG : rot 104:sc= 1.21 USER MOD Single : B 45 GLN : amide:sc= -0.481 K(o=-0.48,f=-1.8) USER MOD Single : B 49 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.1) USER MOD Single : B 51 SER OG : rot 180:sc= 0.023 USER MOD Single : B 52 SER OG : rot 180:sc=-0.00932 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 176:sc= 1.7 (180deg=1.6) USER MOD Single : B 61 SER OG : rot 94:sc= 1.32 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ -151:sc= 1.12 (180deg=-0.801) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 TYR OH : rot 180:sc= -0.0446 USER MOD Single : B 73 HIS : no HE2:sc= -2.08! C(o=-2.1!,f=-5.8!) USER MOD Single : B 80 HIS : no HE2:sc= 0.91 K(o=0.91,f=-4.6!) USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -1.02 K(o=-1,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -5.721 -5.389 -7.723 1.00 0.00 N ATOM 2 CA ALA A 22 -6.224 -4.261 -6.910 1.00 0.00 C ATOM 3 C ALA A 22 -5.064 -3.571 -6.205 1.00 0.00 C ATOM 4 O ALA A 22 -4.008 -4.176 -5.999 1.00 0.00 O ATOM 5 CB ALA A 22 -7.262 -4.749 -5.910 1.00 0.00 C ATOM 0 HA ALA A 22 -6.707 -3.536 -7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.622 -3.907 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.097 -5.201 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.811 -5.489 -5.249 1.00 0.00 H new ATOM 13 N GLU A 23 -5.255 -2.316 -5.827 1.00 0.00 N ATOM 14 CA GLU A 23 -4.170 -1.529 -5.253 1.00 0.00 C ATOM 15 C GLU A 23 -4.253 -1.473 -3.728 1.00 0.00 C ATOM 16 O GLU A 23 -5.322 -1.656 -3.142 1.00 0.00 O ATOM 17 CB GLU A 23 -4.184 -0.113 -5.832 1.00 0.00 C ATOM 18 CG GLU A 23 -2.853 0.299 -6.442 1.00 0.00 C ATOM 19 CD GLU A 23 -1.711 0.213 -5.451 1.00 0.00 C ATOM 20 OE1 GLU A 23 -1.163 -0.894 -5.261 1.00 0.00 O ATOM 21 OE2 GLU A 23 -1.371 1.246 -4.846 1.00 0.00 O ATOM 0 H GLU A 23 -6.144 -1.822 -5.906 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.233 -2.019 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.961 -0.047 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.449 0.592 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.636 -0.340 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.929 1.320 -6.817 1.00 0.00 H new ATOM 28 N GLN A 24 -3.108 -1.218 -3.102 1.00 0.00 N ATOM 29 CA GLN A 24 -3.010 -1.113 -1.652 1.00 0.00 C ATOM 30 C GLN A 24 -2.823 0.354 -1.275 1.00 0.00 C ATOM 31 O GLN A 24 -1.788 0.951 -1.575 1.00 0.00 O ATOM 32 CB GLN A 24 -1.825 -1.954 -1.151 1.00 0.00 C ATOM 33 CG GLN A 24 -1.957 -2.475 0.281 1.00 0.00 C ATOM 34 CD GLN A 24 -1.946 -1.387 1.337 1.00 0.00 C ATOM 35 OE1 GLN A 24 -2.994 -0.878 1.736 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.762 -1.031 1.807 1.00 0.00 N ATOM 0 H GLN A 24 -2.222 -1.078 -3.587 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.921 -1.490 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.695 -2.805 -1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.918 -1.353 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.885 -3.041 0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.141 -3.169 0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.083 -1.477 1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.694 -0.311 2.526 1.00 0.00 H new ATOM 45 N VAL A 25 -3.827 0.937 -0.643 1.00 0.00 N ATOM 46 CA VAL A 25 -3.791 2.356 -0.313 1.00 0.00 C ATOM 47 C VAL A 25 -3.819 2.575 1.194 1.00 0.00 C ATOM 48 O VAL A 25 -4.362 1.758 1.939 1.00 0.00 O ATOM 49 CB VAL A 25 -4.972 3.116 -0.959 1.00 0.00 C ATOM 50 CG1 VAL A 25 -4.863 3.090 -2.476 1.00 0.00 C ATOM 51 CG2 VAL A 25 -6.304 2.529 -0.511 1.00 0.00 C ATOM 0 H VAL A 25 -4.676 0.454 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.856 2.748 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.927 4.154 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.704 3.630 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.930 3.564 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.877 2.057 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.120 3.080 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.358 1.481 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.389 2.605 0.573 1.00 0.00 H new ATOM 61 N SER A 26 -3.230 3.672 1.642 1.00 0.00 N ATOM 62 CA SER A 26 -3.258 4.025 3.047 1.00 0.00 C ATOM 63 C SER A 26 -4.427 4.969 3.321 1.00 0.00 C ATOM 64 O SER A 26 -5.109 5.404 2.387 1.00 0.00 O ATOM 65 CB SER A 26 -1.930 4.667 3.457 1.00 0.00 C ATOM 66 OG SER A 26 -0.858 3.749 3.321 1.00 0.00 O ATOM 0 H SER A 26 -2.727 4.333 1.050 1.00 0.00 H new ATOM 0 HA SER A 26 -3.396 3.122 3.641 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.741 5.546 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.991 5.010 4.490 1.00 0.00 H new ATOM 0 HG SER A 26 -0.248 4.060 2.620 1.00 0.00 H new ATOM 72 N LYS A 27 -4.651 5.293 4.594 1.00 0.00 N ATOM 73 CA LYS A 27 -5.782 6.136 4.982 1.00 0.00 C ATOM 74 C LYS A 27 -5.698 7.498 4.305 1.00 0.00 C ATOM 75 O LYS A 27 -6.714 8.146 4.060 1.00 0.00 O ATOM 76 CB LYS A 27 -5.832 6.309 6.502 1.00 0.00 C ATOM 77 CG LYS A 27 -6.058 5.009 7.254 1.00 0.00 C ATOM 78 CD LYS A 27 -6.139 5.237 8.753 1.00 0.00 C ATOM 79 CE LYS A 27 -6.339 3.929 9.501 1.00 0.00 C ATOM 80 NZ LYS A 27 -6.419 4.132 10.971 1.00 0.00 N ATOM 0 H LYS A 27 -4.067 4.986 5.372 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.697 5.641 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.897 6.757 6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.629 7.008 6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.980 4.542 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.247 4.315 7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.225 5.720 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.963 5.915 8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.253 3.448 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.516 3.252 9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.555 3.214 11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.537 4.567 11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.220 4.757 11.192 1.00 0.00 H new ATOM 94 N GLN A 28 -4.478 7.907 3.992 1.00 0.00 N ATOM 95 CA GLN A 28 -4.237 9.147 3.275 1.00 0.00 C ATOM 96 C GLN A 28 -4.964 9.139 1.938 1.00 0.00 C ATOM 97 O GLN A 28 -5.710 10.062 1.625 1.00 0.00 O ATOM 98 CB GLN A 28 -2.743 9.330 3.041 1.00 0.00 C ATOM 99 CG GLN A 28 -1.936 9.436 4.321 1.00 0.00 C ATOM 100 CD GLN A 28 -0.462 9.185 4.093 1.00 0.00 C ATOM 101 OE1 GLN A 28 0.389 9.750 4.776 1.00 0.00 O ATOM 102 NE2 GLN A 28 -0.151 8.327 3.134 1.00 0.00 N ATOM 0 H GLN A 28 -3.631 7.390 4.227 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.614 9.973 3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.370 8.490 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.584 10.229 2.446 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.071 10.428 4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.316 8.718 5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.889 7.880 2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.827 8.113 2.939 1.00 0.00 H new ATOM 111 N GLU A 29 -4.756 8.081 1.161 1.00 0.00 N ATOM 112 CA GLU A 29 -5.367 7.974 -0.154 1.00 0.00 C ATOM 113 C GLU A 29 -6.873 7.777 -0.025 1.00 0.00 C ATOM 114 O GLU A 29 -7.648 8.325 -0.808 1.00 0.00 O ATOM 115 CB GLU A 29 -4.749 6.823 -0.958 1.00 0.00 C ATOM 116 CG GLU A 29 -3.244 6.946 -1.160 1.00 0.00 C ATOM 117 CD GLU A 29 -2.441 6.189 -0.119 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.448 6.592 1.061 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.799 5.178 -0.483 1.00 0.00 O ATOM 0 H GLU A 29 -4.170 7.288 1.421 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.177 8.904 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.961 5.883 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.233 6.774 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.985 6.574 -2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.964 7.999 -1.131 1.00 0.00 H new ATOM 126 N ILE A 30 -7.278 7.015 0.986 1.00 0.00 N ATOM 127 CA ILE A 30 -8.691 6.745 1.233 1.00 0.00 C ATOM 128 C ILE A 30 -9.462 8.042 1.483 1.00 0.00 C ATOM 129 O ILE A 30 -10.481 8.304 0.839 1.00 0.00 O ATOM 130 CB ILE A 30 -8.877 5.794 2.439 1.00 0.00 C ATOM 131 CG1 ILE A 30 -8.163 4.464 2.177 1.00 0.00 C ATOM 132 CG2 ILE A 30 -10.359 5.561 2.716 1.00 0.00 C ATOM 133 CD1 ILE A 30 -8.195 3.508 3.352 1.00 0.00 C ATOM 0 H ILE A 30 -6.644 6.571 1.651 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.088 6.262 0.340 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.436 6.259 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.622 3.980 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.125 4.666 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.469 4.890 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.841 6.513 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.827 5.114 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.669 2.590 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.709 3.971 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.230 3.274 3.603 1.00 0.00 H new ATOM 145 N SER A 31 -8.967 8.856 2.404 1.00 0.00 N ATOM 146 CA SER A 31 -9.624 10.110 2.744 1.00 0.00 C ATOM 147 C SER A 31 -9.452 11.149 1.633 1.00 0.00 C ATOM 148 O SER A 31 -10.355 11.946 1.371 1.00 0.00 O ATOM 149 CB SER A 31 -9.062 10.654 4.059 1.00 0.00 C ATOM 150 OG SER A 31 -9.151 9.686 5.091 1.00 0.00 O ATOM 0 H SER A 31 -8.113 8.671 2.929 1.00 0.00 H new ATOM 0 HA SER A 31 -10.690 9.912 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.021 10.947 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.610 11.551 4.349 1.00 0.00 H new ATOM 0 HG SER A 31 -8.443 9.018 4.975 1.00 0.00 H new ATOM 156 N HIS A 32 -8.303 11.127 0.966 1.00 0.00 N ATOM 157 CA HIS A 32 -7.992 12.138 -0.037 1.00 0.00 C ATOM 158 C HIS A 32 -8.807 11.918 -1.309 1.00 0.00 C ATOM 159 O HIS A 32 -9.383 12.857 -1.847 1.00 0.00 O ATOM 160 CB HIS A 32 -6.496 12.132 -0.371 1.00 0.00 C ATOM 161 CG HIS A 32 -5.959 13.473 -0.775 1.00 0.00 C ATOM 162 ND1 HIS A 32 -4.782 13.989 -0.275 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.438 14.406 -1.635 1.00 0.00 C ATOM 164 CE1 HIS A 32 -4.564 15.177 -0.806 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.553 15.454 -1.633 1.00 0.00 N ATOM 0 H HIS A 32 -7.576 10.425 1.101 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.256 13.109 0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.941 11.776 0.497 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.317 11.421 -1.178 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.347 14.337 -2.214 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.718 15.815 -0.598 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.645 16.309 -2.182 1.00 0.00 H new ATOM 174 N PHE A 33 -8.864 10.677 -1.777 1.00 0.00 N ATOM 175 CA PHE A 33 -9.556 10.372 -3.026 1.00 0.00 C ATOM 176 C PHE A 33 -11.007 9.971 -2.783 1.00 0.00 C ATOM 177 O PHE A 33 -11.772 9.805 -3.734 1.00 0.00 O ATOM 178 CB PHE A 33 -8.823 9.264 -3.790 1.00 0.00 C ATOM 179 CG PHE A 33 -7.463 9.671 -4.287 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.334 10.456 -5.421 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.316 9.269 -3.620 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.086 10.832 -5.883 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.066 9.642 -4.076 1.00 0.00 C ATOM 184 CZ PHE A 33 -4.950 10.424 -5.209 1.00 0.00 C ATOM 0 H PHE A 33 -8.443 9.870 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.557 11.280 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.718 8.395 -3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.433 8.955 -4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.218 10.778 -5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.400 8.657 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.999 11.443 -6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.180 9.322 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.974 10.716 -5.567 1.00 0.00 H new ATOM 194 N LYS A 34 -11.372 9.822 -1.506 1.00 0.00 N ATOM 195 CA LYS A 34 -12.740 9.476 -1.104 1.00 0.00 C ATOM 196 C LYS A 34 -13.092 8.058 -1.545 1.00 0.00 C ATOM 197 O LYS A 34 -13.668 7.850 -2.612 1.00 0.00 O ATOM 198 CB LYS A 34 -13.765 10.473 -1.669 1.00 0.00 C ATOM 199 CG LYS A 34 -13.492 11.925 -1.303 1.00 0.00 C ATOM 200 CD LYS A 34 -13.558 12.152 0.198 1.00 0.00 C ATOM 201 CE LYS A 34 -13.214 13.589 0.559 1.00 0.00 C ATOM 202 NZ LYS A 34 -11.846 13.960 0.108 1.00 0.00 N ATOM 0 H LYS A 34 -10.729 9.937 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.781 9.528 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.783 10.381 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.757 10.200 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.507 12.213 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.219 12.568 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.558 11.914 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.868 11.474 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.941 14.262 0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.289 13.720 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.584 14.880 0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.169 13.236 0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.828 14.024 -0.930 1.00 0.00 H new ATOM 216 N LEU A 35 -12.725 7.084 -0.728 1.00 0.00 N ATOM 217 CA LEU A 35 -12.991 5.690 -1.048 1.00 0.00 C ATOM 218 C LEU A 35 -14.117 5.132 -0.188 1.00 0.00 C ATOM 219 O LEU A 35 -14.178 5.368 1.022 1.00 0.00 O ATOM 220 CB LEU A 35 -11.723 4.852 -0.889 1.00 0.00 C ATOM 221 CG LEU A 35 -10.593 5.217 -1.854 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.397 4.306 -1.644 1.00 0.00 C ATOM 223 CD2 LEU A 35 -11.080 5.143 -3.295 1.00 0.00 C ATOM 0 H LEU A 35 -12.244 7.232 0.159 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.311 5.639 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.359 4.958 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.978 3.801 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.281 6.241 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.604 4.581 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.035 4.410 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.692 3.272 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.264 5.405 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.419 4.130 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.906 5.840 -3.436 1.00 0.00 H new ATOM 235 N VAL A 36 -15.000 4.387 -0.832 1.00 0.00 N ATOM 236 CA VAL A 36 -16.190 3.854 -0.193 1.00 0.00 C ATOM 237 C VAL A 36 -15.976 2.406 0.242 1.00 0.00 C ATOM 238 O VAL A 36 -15.594 1.557 -0.565 1.00 0.00 O ATOM 239 CB VAL A 36 -17.394 3.943 -1.156 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.654 3.353 -0.545 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.628 5.387 -1.565 1.00 0.00 C ATOM 0 H VAL A 36 -14.911 4.134 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.395 4.451 0.695 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.156 3.353 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.476 3.436 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.485 2.303 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.905 3.896 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.479 5.439 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.833 5.987 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.740 5.772 -2.066 1.00 0.00 H new ATOM 251 N LYS A 37 -16.209 2.140 1.521 1.00 0.00 N ATOM 252 CA LYS A 37 -16.077 0.797 2.068 1.00 0.00 C ATOM 253 C LYS A 37 -17.174 -0.119 1.535 1.00 0.00 C ATOM 254 O LYS A 37 -18.362 0.135 1.733 1.00 0.00 O ATOM 255 CB LYS A 37 -16.134 0.841 3.600 1.00 0.00 C ATOM 256 CG LYS A 37 -16.250 -0.530 4.254 1.00 0.00 C ATOM 257 CD LYS A 37 -16.401 -0.415 5.762 1.00 0.00 C ATOM 258 CE LYS A 37 -16.813 -1.738 6.391 1.00 0.00 C ATOM 259 NZ LYS A 37 -15.794 -2.802 6.191 1.00 0.00 N ATOM 0 H LYS A 37 -16.493 2.843 2.203 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.112 0.398 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.237 1.336 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.984 1.451 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.108 -1.060 3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.366 -1.122 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.458 -0.083 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.145 0.346 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.979 -1.594 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.761 -2.062 5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.142 -3.696 6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.616 -2.925 5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.910 -2.530 6.667 1.00 0.00 H new ATOM 273 N VAL A 38 -16.765 -1.176 0.851 1.00 0.00 N ATOM 274 CA VAL A 38 -17.699 -2.167 0.341 1.00 0.00 C ATOM 275 C VAL A 38 -17.818 -3.326 1.324 1.00 0.00 C ATOM 276 O VAL A 38 -18.913 -3.825 1.593 1.00 0.00 O ATOM 277 CB VAL A 38 -17.254 -2.706 -1.038 1.00 0.00 C ATOM 278 CG1 VAL A 38 -18.265 -3.704 -1.587 1.00 0.00 C ATOM 279 CG2 VAL A 38 -17.046 -1.562 -2.018 1.00 0.00 C ATOM 0 H VAL A 38 -15.787 -1.370 0.635 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.668 -1.681 0.223 1.00 0.00 H new ATOM 0 HB VAL A 38 -16.305 -3.225 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.927 -4.067 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.359 -4.543 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.234 -3.217 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.733 -1.962 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.979 -1.012 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.276 -0.891 -1.636 1.00 0.00 H new ATOM 289 N GLY A 39 -16.684 -3.730 1.882 1.00 0.00 N ATOM 290 CA GLY A 39 -16.663 -4.852 2.796 1.00 0.00 C ATOM 291 C GLY A 39 -15.279 -5.105 3.352 1.00 0.00 C ATOM 292 O GLY A 39 -14.435 -4.206 3.352 1.00 0.00 O ATOM 0 H GLY A 39 -15.775 -3.297 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.355 -4.663 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -17.016 -5.746 2.281 1.00 0.00 H new ATOM 296 N THR A 40 -15.048 -6.322 3.818 1.00 0.00 N ATOM 297 CA THR A 40 -13.766 -6.698 4.400 1.00 0.00 C ATOM 298 C THR A 40 -13.406 -8.128 3.997 1.00 0.00 C ATOM 299 O THR A 40 -14.269 -9.005 3.959 1.00 0.00 O ATOM 300 CB THR A 40 -13.806 -6.582 5.941 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.177 -5.250 6.322 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.456 -6.924 6.559 1.00 0.00 C ATOM 0 H THR A 40 -15.737 -7.074 3.805 1.00 0.00 H new ATOM 0 HA THR A 40 -13.006 -6.015 4.021 1.00 0.00 H new ATOM 0 HB THR A 40 -14.545 -7.294 6.309 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.202 -5.184 7.299 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.519 -6.833 7.643 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.184 -7.946 6.296 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.698 -6.238 6.180 1.00 0.00 H new ATOM 310 N ILE A 41 -12.139 -8.353 3.680 1.00 0.00 N ATOM 311 CA ILE A 41 -11.674 -9.671 3.276 1.00 0.00 C ATOM 312 C ILE A 41 -10.584 -10.168 4.213 1.00 0.00 C ATOM 313 O ILE A 41 -9.867 -9.378 4.831 1.00 0.00 O ATOM 314 CB ILE A 41 -11.126 -9.680 1.831 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.055 -8.598 1.655 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.258 -9.495 0.834 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.399 -8.601 0.291 1.00 0.00 C ATOM 0 H ILE A 41 -11.413 -7.637 3.695 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.540 -10.331 3.323 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.661 -10.647 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.507 -7.621 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.287 -8.733 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.856 -9.504 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.977 -10.306 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.754 -8.542 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.653 -7.807 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.916 -9.563 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.155 -8.434 -0.477 1.00 0.00 H new ATOM 329 N ASN A 42 -10.473 -11.480 4.323 1.00 0.00 N ATOM 330 CA ASN A 42 -9.436 -12.093 5.131 1.00 0.00 C ATOM 331 C ASN A 42 -8.806 -13.261 4.386 1.00 0.00 C ATOM 332 O ASN A 42 -9.502 -14.159 3.907 1.00 0.00 O ATOM 333 CB ASN A 42 -9.986 -12.565 6.488 1.00 0.00 C ATOM 334 CG ASN A 42 -11.084 -13.618 6.377 1.00 0.00 C ATOM 335 OD1 ASN A 42 -11.905 -13.602 5.457 1.00 0.00 O ATOM 336 ND2 ASN A 42 -11.095 -14.553 7.316 1.00 0.00 N ATOM 0 H ASN A 42 -11.093 -12.144 3.859 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.673 -11.338 5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.166 -12.971 7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.376 -11.704 7.031 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.799 -15.291 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.400 -14.535 8.062 1.00 0.00 H new ATOM 343 N VAL A 43 -7.493 -13.226 4.258 1.00 0.00 N ATOM 344 CA VAL A 43 -6.765 -14.330 3.661 1.00 0.00 C ATOM 345 C VAL A 43 -6.122 -15.162 4.756 1.00 0.00 C ATOM 346 O VAL A 43 -5.096 -14.780 5.315 1.00 0.00 O ATOM 347 CB VAL A 43 -5.675 -13.848 2.676 1.00 0.00 C ATOM 348 CG1 VAL A 43 -4.914 -15.032 2.096 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.292 -13.020 1.561 1.00 0.00 C ATOM 0 H VAL A 43 -6.909 -12.446 4.559 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.480 -14.928 3.096 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.972 -13.222 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.152 -14.671 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.438 -15.589 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.606 -15.684 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.510 -12.690 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.017 -13.625 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.792 -12.151 1.988 1.00 0.00 H new ATOM 359 N SER A 44 -6.751 -16.281 5.072 1.00 0.00 N ATOM 360 CA SER A 44 -6.245 -17.179 6.090 1.00 0.00 C ATOM 361 C SER A 44 -5.961 -18.541 5.471 1.00 0.00 C ATOM 362 O SER A 44 -6.847 -19.392 5.380 1.00 0.00 O ATOM 363 CB SER A 44 -7.267 -17.316 7.225 1.00 0.00 C ATOM 364 OG SER A 44 -7.674 -16.043 7.709 1.00 0.00 O ATOM 0 H SER A 44 -7.619 -16.589 4.633 1.00 0.00 H new ATOM 0 HA SER A 44 -5.321 -16.773 6.501 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.137 -17.868 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.833 -17.896 8.040 1.00 0.00 H new ATOM 0 HG SER A 44 -7.534 -16.001 8.678 1.00 0.00 H new ATOM 370 N GLN A 45 -4.731 -18.733 5.015 1.00 0.00 N ATOM 371 CA GLN A 45 -4.353 -19.967 4.338 1.00 0.00 C ATOM 372 C GLN A 45 -3.258 -20.684 5.115 1.00 0.00 C ATOM 373 O GLN A 45 -2.493 -20.056 5.847 1.00 0.00 O ATOM 374 CB GLN A 45 -3.868 -19.682 2.914 1.00 0.00 C ATOM 375 CG GLN A 45 -4.897 -19.012 2.008 1.00 0.00 C ATOM 376 CD GLN A 45 -6.134 -19.862 1.769 1.00 0.00 C ATOM 377 OE1 GLN A 45 -6.168 -20.676 0.847 1.00 0.00 O ATOM 378 NE2 GLN A 45 -7.166 -19.657 2.568 1.00 0.00 N ATOM 0 H GLN A 45 -3.978 -18.051 5.101 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.235 -20.605 4.287 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.984 -19.047 2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.559 -20.622 2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.197 -18.063 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.432 -18.783 1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.099 -18.973 3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.029 -20.183 2.431 1.00 0.00 H new ATOM 387 N SER A 46 -3.160 -21.991 4.918 1.00 0.00 N ATOM 388 CA SER A 46 -2.227 -22.825 5.666 1.00 0.00 C ATOM 389 C SER A 46 -0.840 -22.836 5.018 1.00 0.00 C ATOM 390 O SER A 46 -0.137 -23.850 5.034 1.00 0.00 O ATOM 391 CB SER A 46 -2.785 -24.246 5.738 1.00 0.00 C ATOM 392 OG SER A 46 -4.092 -24.245 6.295 1.00 0.00 O ATOM 0 H SER A 46 -3.722 -22.503 4.238 1.00 0.00 H new ATOM 0 HA SER A 46 -2.115 -22.413 6.669 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.810 -24.683 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.127 -24.870 6.343 1.00 0.00 H new ATOM 0 HG SER A 46 -4.282 -23.365 6.682 1.00 0.00 H new ATOM 398 N GLY A 47 -0.438 -21.697 4.472 1.00 0.00 N ATOM 399 CA GLY A 47 0.835 -21.614 3.786 1.00 0.00 C ATOM 400 C GLY A 47 0.715 -22.015 2.332 1.00 0.00 C ATOM 401 O GLY A 47 -0.334 -22.500 1.905 1.00 0.00 O ATOM 0 H GLY A 47 -0.972 -20.828 4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.218 -20.596 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.559 -22.260 4.283 1.00 0.00 H new ATOM 405 N GLY A 48 1.773 -21.794 1.561 1.00 0.00 N ATOM 406 CA GLY A 48 1.755 -22.149 0.152 1.00 0.00 C ATOM 407 C GLY A 48 1.002 -21.135 -0.691 1.00 0.00 C ATOM 408 O GLY A 48 1.512 -20.655 -1.701 1.00 0.00 O ATOM 0 H GLY A 48 2.644 -21.375 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.779 -22.231 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.295 -23.130 0.033 1.00 0.00 H new ATOM 412 N GLN A 49 -0.217 -20.815 -0.270 1.00 0.00 N ATOM 413 CA GLN A 49 -1.047 -19.825 -0.952 1.00 0.00 C ATOM 414 C GLN A 49 -0.468 -18.425 -0.777 1.00 0.00 C ATOM 415 O GLN A 49 -0.817 -17.500 -1.508 1.00 0.00 O ATOM 416 CB GLN A 49 -2.474 -19.869 -0.406 1.00 0.00 C ATOM 417 CG GLN A 49 -3.187 -21.192 -0.639 1.00 0.00 C ATOM 418 CD GLN A 49 -3.446 -21.462 -2.108 1.00 0.00 C ATOM 419 OE1 GLN A 49 -4.479 -21.066 -2.652 1.00 0.00 O ATOM 420 NE2 GLN A 49 -2.521 -22.141 -2.760 1.00 0.00 N ATOM 0 H GLN A 49 -0.657 -21.232 0.550 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.063 -20.065 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.448 -19.666 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.053 -19.070 -0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.587 -22.002 -0.224 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.135 -21.190 -0.101 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.679 -22.452 -2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.648 -22.355 -3.749 1.00 0.00 H new ATOM 429 N ILE A 50 0.383 -18.276 0.232 1.00 0.00 N ATOM 430 CA ILE A 50 1.134 -17.049 0.439 1.00 0.00 C ATOM 431 C ILE A 50 2.606 -17.398 0.602 1.00 0.00 C ATOM 432 O ILE A 50 3.055 -17.756 1.692 1.00 0.00 O ATOM 433 CB ILE A 50 0.667 -16.236 1.678 1.00 0.00 C ATOM 434 CG1 ILE A 50 -0.801 -15.812 1.556 1.00 0.00 C ATOM 435 CG2 ILE A 50 1.546 -15.006 1.870 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.788 -16.888 1.948 1.00 0.00 C ATOM 0 H ILE A 50 0.569 -19.001 0.925 1.00 0.00 H new ATOM 0 HA ILE A 50 0.962 -16.419 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 50 0.760 -16.886 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.968 -14.935 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.997 -15.511 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.205 -14.448 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.580 -15.317 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.483 -14.372 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.804 -16.509 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.651 -17.758 1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.622 -17.173 2.987 1.00 0.00 H new ATOM 448 N SER A 51 3.335 -17.354 -0.495 1.00 0.00 N ATOM 449 CA SER A 51 4.755 -17.652 -0.478 1.00 0.00 C ATOM 450 C SER A 51 5.572 -16.415 -0.837 1.00 0.00 C ATOM 451 O SER A 51 6.792 -16.481 -1.000 1.00 0.00 O ATOM 452 CB SER A 51 5.048 -18.795 -1.450 1.00 0.00 C ATOM 453 OG SER A 51 4.456 -18.556 -2.720 1.00 0.00 O ATOM 0 H SER A 51 2.966 -17.113 -1.415 1.00 0.00 H new ATOM 0 HA SER A 51 5.041 -17.958 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.126 -18.911 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.669 -19.731 -1.040 1.00 0.00 H new ATOM 0 HG SER A 51 3.522 -18.285 -2.600 1.00 0.00 H new ATOM 459 N SER A 52 4.888 -15.285 -0.932 1.00 0.00 N ATOM 460 CA SER A 52 5.507 -14.036 -1.341 1.00 0.00 C ATOM 461 C SER A 52 4.579 -12.870 -1.012 1.00 0.00 C ATOM 462 O SER A 52 3.361 -13.049 -0.950 1.00 0.00 O ATOM 463 CB SER A 52 5.801 -14.081 -2.849 1.00 0.00 C ATOM 464 OG SER A 52 6.312 -12.846 -3.325 1.00 0.00 O ATOM 0 H SER A 52 3.891 -15.209 -0.728 1.00 0.00 H new ATOM 0 HA SER A 52 6.445 -13.897 -0.803 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.519 -14.875 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.888 -14.329 -3.390 1.00 0.00 H new ATOM 0 HG SER A 52 6.488 -12.914 -4.287 1.00 0.00 H new ATOM 470 N PRO A 53 5.133 -11.668 -0.766 1.00 0.00 N ATOM 471 CA PRO A 53 4.331 -10.452 -0.597 1.00 0.00 C ATOM 472 C PRO A 53 3.412 -10.217 -1.795 1.00 0.00 C ATOM 473 O PRO A 53 2.288 -9.736 -1.647 1.00 0.00 O ATOM 474 CB PRO A 53 5.379 -9.340 -0.496 1.00 0.00 C ATOM 475 CG PRO A 53 6.612 -10.023 -0.013 1.00 0.00 C ATOM 476 CD PRO A 53 6.577 -11.405 -0.603 1.00 0.00 C ATOM 0 HA PRO A 53 3.675 -10.505 0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.544 -8.863 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.062 -8.559 0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.506 -9.486 -0.330 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.634 -10.064 1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.104 -11.449 -1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.047 -12.136 0.055 1.00 0.00 H new ATOM 484 N SER A 54 3.893 -10.578 -2.980 1.00 0.00 N ATOM 485 CA SER A 54 3.100 -10.469 -4.195 1.00 0.00 C ATOM 486 C SER A 54 2.001 -11.528 -4.189 1.00 0.00 C ATOM 487 O SER A 54 0.852 -11.250 -4.529 1.00 0.00 O ATOM 488 CB SER A 54 3.999 -10.638 -5.425 1.00 0.00 C ATOM 489 OG SER A 54 3.289 -10.393 -6.629 1.00 0.00 O ATOM 0 H SER A 54 4.832 -10.950 -3.123 1.00 0.00 H new ATOM 0 HA SER A 54 2.638 -9.482 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.845 -9.954 -5.355 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.407 -11.649 -5.442 1.00 0.00 H new ATOM 0 HG SER A 54 3.892 -10.508 -7.393 1.00 0.00 H new ATOM 495 N ASP A 55 2.370 -12.732 -3.767 1.00 0.00 N ATOM 496 CA ASP A 55 1.442 -13.857 -3.674 1.00 0.00 C ATOM 497 C ASP A 55 0.261 -13.490 -2.774 1.00 0.00 C ATOM 498 O ASP A 55 -0.899 -13.777 -3.082 1.00 0.00 O ATOM 499 CB ASP A 55 2.187 -15.069 -3.102 1.00 0.00 C ATOM 500 CG ASP A 55 1.540 -16.400 -3.426 1.00 0.00 C ATOM 501 OD1 ASP A 55 0.642 -16.445 -4.292 1.00 0.00 O ATOM 502 OD2 ASP A 55 1.961 -17.413 -2.829 1.00 0.00 O ATOM 0 H ASP A 55 3.322 -12.958 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 55 1.057 -14.099 -4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.207 -15.070 -3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.254 -14.963 -2.019 1.00 0.00 H new ATOM 507 N LEU A 56 0.580 -12.822 -1.671 1.00 0.00 N ATOM 508 CA LEU A 56 -0.423 -12.357 -0.723 1.00 0.00 C ATOM 509 C LEU A 56 -1.320 -11.287 -1.343 1.00 0.00 C ATOM 510 O LEU A 56 -2.544 -11.345 -1.226 1.00 0.00 O ATOM 511 CB LEU A 56 0.257 -11.798 0.527 1.00 0.00 C ATOM 512 CG LEU A 56 -0.692 -11.242 1.591 1.00 0.00 C ATOM 513 CD1 LEU A 56 -1.598 -12.341 2.123 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.096 -10.600 2.721 1.00 0.00 C ATOM 0 H LEU A 56 1.538 -12.589 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.046 -13.209 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.860 -12.587 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.943 -11.006 0.225 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.318 -10.477 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.266 -11.928 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.187 -12.755 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.991 -13.130 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.594 -10.210 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.746 -11.345 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.701 -9.785 2.325 1.00 0.00 H new ATOM 526 N ARG A 57 -0.709 -10.312 -2.006 1.00 0.00 N ATOM 527 CA ARG A 57 -1.461 -9.212 -2.601 1.00 0.00 C ATOM 528 C ARG A 57 -2.316 -9.697 -3.765 1.00 0.00 C ATOM 529 O ARG A 57 -3.342 -9.092 -4.083 1.00 0.00 O ATOM 530 CB ARG A 57 -0.524 -8.097 -3.060 1.00 0.00 C ATOM 531 CG ARG A 57 0.161 -7.376 -1.913 1.00 0.00 C ATOM 532 CD ARG A 57 0.988 -6.206 -2.410 1.00 0.00 C ATOM 533 NE ARG A 57 0.162 -5.184 -3.054 1.00 0.00 N ATOM 534 CZ ARG A 57 0.542 -4.494 -4.129 1.00 0.00 C ATOM 535 NH1 ARG A 57 1.690 -4.783 -4.729 1.00 0.00 N ATOM 536 NH2 ARG A 57 -0.233 -3.532 -4.617 1.00 0.00 N ATOM 0 H ARG A 57 0.300 -10.260 -2.145 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.124 -8.813 -1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.235 -8.518 -3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.091 -7.374 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.588 -7.020 -1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.802 -8.074 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.527 -5.762 -1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.736 -6.565 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.757 -4.989 -2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.280 -5.532 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.982 -4.256 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.124 -3.318 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.063 -3.007 -5.440 1.00 0.00 H new ATOM 550 N GLU A 58 -1.890 -10.782 -4.398 1.00 0.00 N ATOM 551 CA GLU A 58 -2.693 -11.425 -5.427 1.00 0.00 C ATOM 552 C GLU A 58 -3.994 -11.925 -4.809 1.00 0.00 C ATOM 553 O GLU A 58 -5.077 -11.711 -5.350 1.00 0.00 O ATOM 554 CB GLU A 58 -1.925 -12.589 -6.062 1.00 0.00 C ATOM 555 CG GLU A 58 -2.655 -13.242 -7.226 1.00 0.00 C ATOM 556 CD GLU A 58 -2.804 -12.317 -8.416 1.00 0.00 C ATOM 557 OE1 GLU A 58 -3.565 -11.334 -8.322 1.00 0.00 O ATOM 558 OE2 GLU A 58 -2.158 -12.571 -9.454 1.00 0.00 O ATOM 0 H GLU A 58 -0.994 -11.234 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.917 -10.701 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.957 -12.227 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.729 -13.342 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.114 -14.137 -7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.643 -13.564 -6.895 1.00 0.00 H new ATOM 565 N LYS A 59 -3.873 -12.574 -3.654 1.00 0.00 N ATOM 566 CA LYS A 59 -5.036 -13.041 -2.906 1.00 0.00 C ATOM 567 C LYS A 59 -5.945 -11.878 -2.542 1.00 0.00 C ATOM 568 O LYS A 59 -7.158 -11.943 -2.731 1.00 0.00 O ATOM 569 CB LYS A 59 -4.596 -13.765 -1.633 1.00 0.00 C ATOM 570 CG LYS A 59 -3.904 -15.085 -1.899 1.00 0.00 C ATOM 571 CD LYS A 59 -4.863 -16.087 -2.516 1.00 0.00 C ATOM 572 CE LYS A 59 -4.123 -17.287 -3.067 1.00 0.00 C ATOM 573 NZ LYS A 59 -3.184 -16.895 -4.152 1.00 0.00 N ATOM 0 H LYS A 59 -2.978 -12.789 -3.215 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.588 -13.734 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.923 -13.118 -1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.469 -13.941 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.057 -14.928 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.505 -15.485 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.583 -16.414 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.429 -15.608 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.570 -17.775 -2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.840 -18.014 -3.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.992 -17.717 -4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.609 -16.136 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.293 -16.557 -3.735 1.00 0.00 H new ATOM 587 N LEU A 60 -5.345 -10.813 -2.027 1.00 0.00 N ATOM 588 CA LEU A 60 -6.089 -9.626 -1.634 1.00 0.00 C ATOM 589 C LEU A 60 -6.843 -9.038 -2.822 1.00 0.00 C ATOM 590 O LEU A 60 -8.027 -8.726 -2.721 1.00 0.00 O ATOM 591 CB LEU A 60 -5.142 -8.583 -1.036 1.00 0.00 C ATOM 592 CG LEU A 60 -4.406 -9.028 0.230 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.399 -7.973 0.657 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.393 -9.306 1.353 1.00 0.00 C ATOM 0 H LEU A 60 -4.339 -10.748 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.819 -9.915 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.404 -8.310 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.714 -7.683 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.869 -9.950 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.884 -8.305 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.672 -7.820 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.918 -7.036 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.851 -9.621 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.958 -8.400 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.079 -10.096 1.047 1.00 0.00 H new ATOM 606 N SER A 61 -6.157 -8.911 -3.950 1.00 0.00 N ATOM 607 CA SER A 61 -6.766 -8.379 -5.163 1.00 0.00 C ATOM 608 C SER A 61 -7.911 -9.269 -5.637 1.00 0.00 C ATOM 609 O SER A 61 -8.992 -8.784 -5.976 1.00 0.00 O ATOM 610 CB SER A 61 -5.714 -8.253 -6.264 1.00 0.00 C ATOM 611 OG SER A 61 -4.671 -7.374 -5.873 1.00 0.00 O ATOM 0 H SER A 61 -5.176 -9.170 -4.051 1.00 0.00 H new ATOM 0 HA SER A 61 -7.171 -7.393 -4.936 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.300 -9.236 -6.491 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.181 -7.885 -7.178 1.00 0.00 H new ATOM 0 HG SER A 61 -4.751 -6.531 -6.367 1.00 0.00 H new ATOM 617 N GLU A 62 -7.665 -10.570 -5.637 1.00 0.00 N ATOM 618 CA GLU A 62 -8.636 -11.544 -6.109 1.00 0.00 C ATOM 619 C GLU A 62 -9.901 -11.529 -5.253 1.00 0.00 C ATOM 620 O GLU A 62 -11.017 -11.490 -5.774 1.00 0.00 O ATOM 621 CB GLU A 62 -8.000 -12.932 -6.107 1.00 0.00 C ATOM 622 CG GLU A 62 -8.910 -14.039 -6.602 1.00 0.00 C ATOM 623 CD GLU A 62 -8.149 -15.314 -6.877 1.00 0.00 C ATOM 624 OE1 GLU A 62 -7.855 -16.059 -5.921 1.00 0.00 O ATOM 625 OE2 GLU A 62 -7.830 -15.572 -8.055 1.00 0.00 O ATOM 0 H GLU A 62 -6.789 -10.979 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.930 -11.281 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.105 -12.909 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.678 -13.169 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.684 -14.232 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.415 -13.714 -7.512 1.00 0.00 H new ATOM 632 N LEU A 63 -9.726 -11.535 -3.938 1.00 0.00 N ATOM 633 CA LEU A 63 -10.862 -11.564 -3.028 1.00 0.00 C ATOM 634 C LEU A 63 -11.588 -10.218 -3.021 1.00 0.00 C ATOM 635 O LEU A 63 -12.803 -10.164 -2.832 1.00 0.00 O ATOM 636 CB LEU A 63 -10.418 -11.935 -1.610 1.00 0.00 C ATOM 637 CG LEU A 63 -9.630 -13.245 -1.486 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.385 -13.578 -0.023 1.00 0.00 C ATOM 639 CD2 LEU A 63 -10.356 -14.393 -2.176 1.00 0.00 C ATOM 0 H LEU A 63 -8.814 -11.520 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.554 -12.328 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.805 -11.124 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.303 -12.002 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.669 -13.108 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.825 -14.510 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.814 -12.775 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.340 -13.688 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.773 -15.308 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.335 -14.532 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.480 -14.161 -3.234 1.00 0.00 H new ATOM 651 N ALA A 64 -10.842 -9.138 -3.237 1.00 0.00 N ATOM 652 CA ALA A 64 -11.424 -7.800 -3.274 1.00 0.00 C ATOM 653 C ALA A 64 -12.301 -7.621 -4.508 1.00 0.00 C ATOM 654 O ALA A 64 -13.364 -6.998 -4.444 1.00 0.00 O ATOM 655 CB ALA A 64 -10.335 -6.738 -3.245 1.00 0.00 C ATOM 0 H ALA A 64 -9.834 -9.163 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.048 -7.683 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.791 -5.748 -3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.750 -6.842 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.683 -6.862 -4.110 1.00 0.00 H new ATOM 661 N ASP A 65 -11.859 -8.177 -5.627 1.00 0.00 N ATOM 662 CA ASP A 65 -12.618 -8.091 -6.868 1.00 0.00 C ATOM 663 C ASP A 65 -13.879 -8.944 -6.776 1.00 0.00 C ATOM 664 O ASP A 65 -14.911 -8.610 -7.358 1.00 0.00 O ATOM 665 CB ASP A 65 -11.764 -8.527 -8.060 1.00 0.00 C ATOM 666 CG ASP A 65 -12.466 -8.311 -9.388 1.00 0.00 C ATOM 667 OD1 ASP A 65 -12.697 -7.139 -9.761 1.00 0.00 O ATOM 668 OD2 ASP A 65 -12.763 -9.306 -10.077 1.00 0.00 O ATOM 0 H ASP A 65 -10.981 -8.691 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.908 -7.052 -7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.826 -7.971 -8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.510 -9.582 -7.954 1.00 0.00 H new ATOM 673 N ALA A 66 -13.791 -10.036 -6.023 1.00 0.00 N ATOM 674 CA ALA A 66 -14.945 -10.891 -5.773 1.00 0.00 C ATOM 675 C ALA A 66 -15.989 -10.157 -4.933 1.00 0.00 C ATOM 676 O ALA A 66 -17.190 -10.395 -5.068 1.00 0.00 O ATOM 677 CB ALA A 66 -14.512 -12.177 -5.084 1.00 0.00 C ATOM 0 H ALA A 66 -12.930 -10.350 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.398 -11.147 -6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.385 -12.805 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.806 -12.711 -5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.035 -11.938 -4.134 1.00 0.00 H new ATOM 683 N LYS A 67 -15.522 -9.268 -4.062 1.00 0.00 N ATOM 684 CA LYS A 67 -16.417 -8.440 -3.259 1.00 0.00 C ATOM 685 C LYS A 67 -17.029 -7.336 -4.112 1.00 0.00 C ATOM 686 O LYS A 67 -18.238 -7.106 -4.081 1.00 0.00 O ATOM 687 CB LYS A 67 -15.665 -7.809 -2.084 1.00 0.00 C ATOM 688 CG LYS A 67 -15.183 -8.804 -1.043 1.00 0.00 C ATOM 689 CD LYS A 67 -16.342 -9.522 -0.375 1.00 0.00 C ATOM 690 CE LYS A 67 -15.876 -10.323 0.828 1.00 0.00 C ATOM 691 NZ LYS A 67 -16.989 -11.071 1.467 1.00 0.00 N ATOM 0 H LYS A 67 -14.530 -9.102 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.209 -9.082 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.806 -7.260 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.316 -7.081 -1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.525 -9.534 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.593 -8.284 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.091 -8.795 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.823 -10.187 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.100 -11.023 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.426 -9.651 1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.626 -11.603 2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.718 -10.402 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.403 -11.732 0.779 1.00 0.00 H new ATOM 705 N GLY A 68 -16.180 -6.657 -4.865 1.00 0.00 N ATOM 706 CA GLY A 68 -16.636 -5.572 -5.706 1.00 0.00 C ATOM 707 C GLY A 68 -15.906 -4.281 -5.410 1.00 0.00 C ATOM 708 O GLY A 68 -16.525 -3.227 -5.256 1.00 0.00 O ATOM 0 H GLY A 68 -15.177 -6.839 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.491 -5.839 -6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.706 -5.425 -5.560 1.00 0.00 H new ATOM 712 N GLY A 69 -14.586 -4.361 -5.322 1.00 0.00 N ATOM 713 CA GLY A 69 -13.789 -3.188 -5.038 1.00 0.00 C ATOM 714 C GLY A 69 -12.527 -3.144 -5.870 1.00 0.00 C ATOM 715 O GLY A 69 -12.150 -4.142 -6.487 1.00 0.00 O ATOM 0 H GLY A 69 -14.052 -5.222 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.381 -2.293 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.526 -3.176 -3.980 1.00 0.00 H new ATOM 719 N LYS A 70 -11.875 -1.991 -5.888 1.00 0.00 N ATOM 720 CA LYS A 70 -10.665 -1.808 -6.681 1.00 0.00 C ATOM 721 C LYS A 70 -9.471 -1.522 -5.780 1.00 0.00 C ATOM 722 O LYS A 70 -8.318 -1.707 -6.170 1.00 0.00 O ATOM 723 CB LYS A 70 -10.854 -0.663 -7.675 1.00 0.00 C ATOM 724 CG LYS A 70 -12.008 -0.886 -8.633 1.00 0.00 C ATOM 725 CD LYS A 70 -12.178 0.281 -9.586 1.00 0.00 C ATOM 726 CE LYS A 70 -13.343 0.055 -10.532 1.00 0.00 C ATOM 727 NZ LYS A 70 -13.153 -1.152 -11.377 1.00 0.00 N ATOM 0 H LYS A 70 -12.163 -1.166 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.473 -2.729 -7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.021 0.263 -7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.936 -0.532 -8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.837 -1.799 -9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.928 -1.031 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.341 1.197 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.262 0.421 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.262 -0.048 -9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.464 0.929 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.850 -1.148 -12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.193 -1.148 -11.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.283 -2.006 -10.797 1.00 0.00 H new ATOM 741 N TYR A 71 -9.754 -1.073 -4.568 1.00 0.00 N ATOM 742 CA TYR A 71 -8.711 -0.741 -3.616 1.00 0.00 C ATOM 743 C TYR A 71 -8.887 -1.568 -2.354 1.00 0.00 C ATOM 744 O TYR A 71 -10.011 -1.892 -1.972 1.00 0.00 O ATOM 745 CB TYR A 71 -8.761 0.748 -3.252 1.00 0.00 C ATOM 746 CG TYR A 71 -8.722 1.690 -4.438 1.00 0.00 C ATOM 747 CD1 TYR A 71 -7.515 2.155 -4.945 1.00 0.00 C ATOM 748 CD2 TYR A 71 -9.898 2.129 -5.037 1.00 0.00 C ATOM 749 CE1 TYR A 71 -7.480 3.027 -6.018 1.00 0.00 C ATOM 750 CE2 TYR A 71 -9.871 3.002 -6.107 1.00 0.00 C ATOM 751 CZ TYR A 71 -8.662 3.449 -6.593 1.00 0.00 C ATOM 752 OH TYR A 71 -8.636 4.328 -7.655 1.00 0.00 O ATOM 0 H TYR A 71 -10.702 -0.930 -4.221 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.747 -0.961 -4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.671 0.939 -2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.921 0.976 -2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.589 1.830 -4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.848 1.781 -4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.533 3.376 -6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.794 3.333 -6.561 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.553 4.522 -7.942 1.00 0.00 H new ATOM 762 N TYR A 72 -7.785 -1.921 -1.719 1.00 0.00 N ATOM 763 CA TYR A 72 -7.838 -2.598 -0.437 1.00 0.00 C ATOM 764 C TYR A 72 -6.810 -2.001 0.510 1.00 0.00 C ATOM 765 O TYR A 72 -5.833 -1.388 0.076 1.00 0.00 O ATOM 766 CB TYR A 72 -7.620 -4.114 -0.585 1.00 0.00 C ATOM 767 CG TYR A 72 -6.333 -4.507 -1.279 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.115 -4.487 -0.609 1.00 0.00 C ATOM 769 CD2 TYR A 72 -6.339 -4.903 -2.608 1.00 0.00 C ATOM 770 CE1 TYR A 72 -3.943 -4.847 -1.247 1.00 0.00 C ATOM 771 CE2 TYR A 72 -5.171 -5.265 -3.251 1.00 0.00 C ATOM 772 CZ TYR A 72 -3.978 -5.235 -2.568 1.00 0.00 C ATOM 773 OH TYR A 72 -2.813 -5.585 -3.214 1.00 0.00 O ATOM 0 H TYR A 72 -6.843 -1.750 -2.070 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.835 -2.451 -0.021 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.634 -4.567 0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.458 -4.535 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.084 -4.185 0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.273 -4.929 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.005 -4.824 -0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.195 -5.571 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.015 -5.834 -4.140 1.00 0.00 H new ATOM 783 N HIS A 73 -7.040 -2.164 1.798 1.00 0.00 N ATOM 784 CA HIS A 73 -6.099 -1.695 2.799 1.00 0.00 C ATOM 785 C HIS A 73 -5.870 -2.762 3.852 1.00 0.00 C ATOM 786 O HIS A 73 -6.799 -3.152 4.560 1.00 0.00 O ATOM 787 CB HIS A 73 -6.592 -0.401 3.462 1.00 0.00 C ATOM 788 CG HIS A 73 -5.708 0.067 4.581 1.00 0.00 C ATOM 789 ND1 HIS A 73 -4.518 0.722 4.374 1.00 0.00 N ATOM 790 CD2 HIS A 73 -5.833 -0.062 5.923 1.00 0.00 C ATOM 791 CE1 HIS A 73 -3.945 0.971 5.537 1.00 0.00 C ATOM 792 NE2 HIS A 73 -4.722 0.505 6.497 1.00 0.00 N ATOM 0 H HIS A 73 -7.871 -2.618 2.177 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.156 -1.483 2.296 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.658 0.383 2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.600 -0.559 3.846 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -4.136 0.976 3.463 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.656 -0.526 6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.999 1.472 5.679 1.00 0.00 H new ATOM 801 N ILE A 74 -4.635 -3.230 3.949 1.00 0.00 N ATOM 802 CA ILE A 74 -4.266 -4.201 4.964 1.00 0.00 C ATOM 803 C ILE A 74 -4.308 -3.549 6.340 1.00 0.00 C ATOM 804 O ILE A 74 -3.545 -2.624 6.622 1.00 0.00 O ATOM 805 CB ILE A 74 -2.852 -4.771 4.715 1.00 0.00 C ATOM 806 CG1 ILE A 74 -2.742 -5.317 3.288 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.534 -5.861 5.730 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.350 -5.798 2.926 1.00 0.00 C ATOM 0 H ILE A 74 -3.870 -2.951 3.334 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.981 -5.022 4.915 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.126 -3.967 4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.444 -6.142 3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.042 -4.539 2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.534 -6.253 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.577 -5.445 6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.263 -6.667 5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.349 -6.170 1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.645 -4.971 3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.054 -6.599 3.604 1.00 0.00 H new ATOM 820 N ILE A 75 -5.217 -4.011 7.185 1.00 0.00 N ATOM 821 CA ILE A 75 -5.357 -3.447 8.517 1.00 0.00 C ATOM 822 C ILE A 75 -4.627 -4.301 9.543 1.00 0.00 C ATOM 823 O ILE A 75 -4.271 -3.822 10.621 1.00 0.00 O ATOM 824 CB ILE A 75 -6.839 -3.289 8.930 1.00 0.00 C ATOM 825 CG1 ILE A 75 -7.568 -4.636 8.883 1.00 0.00 C ATOM 826 CG2 ILE A 75 -7.530 -2.273 8.032 1.00 0.00 C ATOM 827 CD1 ILE A 75 -9.003 -4.568 9.361 1.00 0.00 C ATOM 0 H ILE A 75 -5.865 -4.770 6.973 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.909 -2.454 8.488 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.872 -2.926 9.957 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.552 -5.012 7.860 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.024 -5.355 9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.573 -2.171 8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.030 -1.309 8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.483 -2.611 6.997 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.454 -5.558 9.299 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.026 -4.223 10.395 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.563 -3.874 8.734 1.00 0.00 H new ATOM 839 N ALA A 76 -4.401 -5.566 9.198 1.00 0.00 N ATOM 840 CA ALA A 76 -3.690 -6.483 10.077 1.00 0.00 C ATOM 841 C ALA A 76 -3.141 -7.674 9.299 1.00 0.00 C ATOM 842 O ALA A 76 -3.901 -8.471 8.748 1.00 0.00 O ATOM 843 CB ALA A 76 -4.602 -6.964 11.197 1.00 0.00 C ATOM 0 H ALA A 76 -4.701 -5.977 8.314 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.850 -5.943 10.514 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.054 -7.649 11.844 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.944 -6.109 11.780 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.462 -7.479 10.770 1.00 0.00 H new ATOM 849 N ALA A 77 -1.823 -7.783 9.248 1.00 0.00 N ATOM 850 CA ALA A 77 -1.172 -8.923 8.623 1.00 0.00 C ATOM 851 C ALA A 77 -0.577 -9.815 9.702 1.00 0.00 C ATOM 852 O ALA A 77 0.593 -9.680 10.071 1.00 0.00 O ATOM 853 CB ALA A 77 -0.102 -8.471 7.640 1.00 0.00 C ATOM 0 H ALA A 77 -1.180 -7.092 9.634 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.912 -9.490 8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.368 -9.344 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.558 -7.860 6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.651 -7.885 8.166 1.00 0.00 H new ATOM 859 N ARG A 78 -1.394 -10.720 10.214 1.00 0.00 N ATOM 860 CA ARG A 78 -1.030 -11.497 11.386 1.00 0.00 C ATOM 861 C ARG A 78 -0.674 -12.928 11.011 1.00 0.00 C ATOM 862 O ARG A 78 -0.960 -13.391 9.907 1.00 0.00 O ATOM 863 CB ARG A 78 -2.173 -11.475 12.403 1.00 0.00 C ATOM 864 CG ARG A 78 -3.476 -12.057 11.879 1.00 0.00 C ATOM 865 CD ARG A 78 -4.655 -11.659 12.751 1.00 0.00 C ATOM 866 NE ARG A 78 -4.504 -12.109 14.134 1.00 0.00 N ATOM 867 CZ ARG A 78 -4.261 -11.297 15.162 1.00 0.00 C ATOM 868 NH1 ARG A 78 -4.069 -9.996 14.961 1.00 0.00 N ATOM 869 NH2 ARG A 78 -4.190 -11.791 16.388 1.00 0.00 N ATOM 0 H ARG A 78 -2.316 -10.935 9.835 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.146 -11.044 11.836 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.868 -12.032 13.289 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.347 -10.446 12.717 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.645 -11.713 10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.401 -13.144 11.841 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.765 -10.575 12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.570 -12.079 12.333 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.590 -13.107 14.324 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.107 -9.615 14.016 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.883 -9.380 15.752 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.321 -12.791 16.543 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.004 -11.172 17.177 1.00 0.00 H new ATOM 883 N GLU A 79 -0.055 -13.627 11.944 1.00 0.00 N ATOM 884 CA GLU A 79 0.413 -14.977 11.700 1.00 0.00 C ATOM 885 C GLU A 79 -0.197 -15.923 12.727 1.00 0.00 C ATOM 886 O GLU A 79 0.257 -15.998 13.869 1.00 0.00 O ATOM 887 CB GLU A 79 1.939 -14.998 11.764 1.00 0.00 C ATOM 888 CG GLU A 79 2.580 -16.157 11.025 1.00 0.00 C ATOM 889 CD GLU A 79 4.065 -15.945 10.830 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.443 -15.146 9.942 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.859 -16.563 11.565 1.00 0.00 O ATOM 0 H GLU A 79 0.136 -13.279 12.883 1.00 0.00 H new ATOM 0 HA GLU A 79 0.104 -15.310 10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.321 -14.064 11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.246 -15.034 12.809 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.414 -17.079 11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.100 -16.280 10.054 1.00 0.00 H new ATOM 898 N HIS A 80 -1.241 -16.627 12.319 1.00 0.00 N ATOM 899 CA HIS A 80 -2.007 -17.472 13.225 1.00 0.00 C ATOM 900 C HIS A 80 -1.455 -18.895 13.218 1.00 0.00 C ATOM 901 O HIS A 80 -2.152 -19.846 12.857 1.00 0.00 O ATOM 902 CB HIS A 80 -3.483 -17.466 12.810 1.00 0.00 C ATOM 903 CG HIS A 80 -4.418 -18.040 13.830 1.00 0.00 C ATOM 904 ND1 HIS A 80 -4.818 -19.359 13.837 1.00 0.00 N ATOM 905 CD2 HIS A 80 -5.051 -17.455 14.873 1.00 0.00 C ATOM 906 CE1 HIS A 80 -5.659 -19.555 14.835 1.00 0.00 C ATOM 907 NE2 HIS A 80 -5.817 -18.417 15.480 1.00 0.00 N ATOM 0 H HIS A 80 -1.581 -16.630 11.357 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.922 -17.079 14.238 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.783 -16.440 12.597 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.589 -18.028 11.882 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -4.968 -16.421 15.172 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.138 -20.491 15.082 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.411 -18.275 16.297 1.00 0.00 H new ATOM 916 N GLY A 81 -0.189 -19.026 13.585 1.00 0.00 N ATOM 917 CA GLY A 81 0.433 -20.331 13.644 1.00 0.00 C ATOM 918 C GLY A 81 0.733 -20.876 12.265 1.00 0.00 C ATOM 919 O GLY A 81 1.535 -20.300 11.533 1.00 0.00 O ATOM 0 H GLY A 81 0.420 -18.249 13.844 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.357 -20.267 14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.223 -21.022 14.173 1.00 0.00 H new ATOM 923 N PRO A 82 0.096 -21.994 11.886 1.00 0.00 N ATOM 924 CA PRO A 82 0.252 -22.585 10.556 1.00 0.00 C ATOM 925 C PRO A 82 -0.494 -21.795 9.482 1.00 0.00 C ATOM 926 O PRO A 82 -0.193 -21.906 8.292 1.00 0.00 O ATOM 927 CB PRO A 82 -0.358 -23.989 10.698 1.00 0.00 C ATOM 928 CG PRO A 82 -0.644 -24.169 12.155 1.00 0.00 C ATOM 929 CD PRO A 82 -0.806 -22.790 12.724 1.00 0.00 C ATOM 0 HA PRO A 82 1.296 -22.593 10.242 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.270 -24.080 10.107 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.332 -24.752 10.339 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.548 -24.760 12.304 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.170 -24.701 12.649 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.837 -22.441 12.656 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.524 -22.749 13.776 1.00 0.00 H new ATOM 937 N ASN A 83 -1.470 -21.000 9.906 1.00 0.00 N ATOM 938 CA ASN A 83 -2.266 -20.214 8.972 1.00 0.00 C ATOM 939 C ASN A 83 -1.902 -18.742 9.050 1.00 0.00 C ATOM 940 O ASN A 83 -2.009 -18.120 10.105 1.00 0.00 O ATOM 941 CB ASN A 83 -3.768 -20.383 9.234 1.00 0.00 C ATOM 942 CG ASN A 83 -4.293 -21.744 8.825 1.00 0.00 C ATOM 943 OD1 ASN A 83 -4.650 -21.965 7.668 1.00 0.00 O ATOM 944 ND2 ASN A 83 -4.372 -22.660 9.773 1.00 0.00 N ATOM 0 H ASN A 83 -1.728 -20.883 10.886 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.042 -20.585 7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.965 -20.228 10.295 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.314 -19.611 8.692 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.739 -23.587 9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.066 -22.440 10.721 1.00 0.00 H new ATOM 951 N PHE A 84 -1.464 -18.192 7.934 1.00 0.00 N ATOM 952 CA PHE A 84 -1.189 -16.769 7.848 1.00 0.00 C ATOM 953 C PHE A 84 -2.487 -16.035 7.545 1.00 0.00 C ATOM 954 O PHE A 84 -3.217 -16.426 6.633 1.00 0.00 O ATOM 955 CB PHE A 84 -0.145 -16.491 6.762 1.00 0.00 C ATOM 956 CG PHE A 84 0.220 -15.039 6.626 1.00 0.00 C ATOM 957 CD1 PHE A 84 1.087 -14.441 7.525 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.307 -14.274 5.599 1.00 0.00 C ATOM 959 CE1 PHE A 84 1.423 -13.107 7.403 1.00 0.00 C ATOM 960 CE2 PHE A 84 0.025 -12.939 5.471 1.00 0.00 C ATOM 961 CZ PHE A 84 0.891 -12.354 6.374 1.00 0.00 C ATOM 0 H PHE A 84 -1.290 -18.709 7.072 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.786 -16.415 8.797 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.756 -17.063 6.983 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.525 -16.851 5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.506 -15.025 8.331 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.985 -14.726 4.890 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.101 -12.653 8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.392 -12.353 4.665 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.152 -11.311 6.276 1.00 0.00 H new ATOM 971 N GLU A 85 -2.779 -14.990 8.310 1.00 0.00 N ATOM 972 CA GLU A 85 -4.042 -14.281 8.165 1.00 0.00 C ATOM 973 C GLU A 85 -3.819 -12.816 7.815 1.00 0.00 C ATOM 974 O GLU A 85 -3.356 -12.026 8.642 1.00 0.00 O ATOM 975 CB GLU A 85 -4.877 -14.383 9.442 1.00 0.00 C ATOM 976 CG GLU A 85 -5.178 -15.809 9.869 1.00 0.00 C ATOM 977 CD GLU A 85 -6.319 -15.887 10.859 1.00 0.00 C ATOM 978 OE1 GLU A 85 -6.072 -15.799 12.081 1.00 0.00 O ATOM 979 OE2 GLU A 85 -7.475 -16.049 10.418 1.00 0.00 O ATOM 0 H GLU A 85 -2.162 -14.618 9.032 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.585 -14.755 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.350 -13.876 10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.818 -13.853 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.423 -16.405 8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.285 -16.248 10.313 1.00 0.00 H new ATOM 986 N ALA A 86 -4.153 -12.461 6.590 1.00 0.00 N ATOM 987 CA ALA A 86 -4.071 -11.082 6.145 1.00 0.00 C ATOM 988 C ALA A 86 -5.463 -10.479 6.062 1.00 0.00 C ATOM 989 O ALA A 86 -6.277 -10.882 5.230 1.00 0.00 O ATOM 990 CB ALA A 86 -3.372 -10.994 4.800 1.00 0.00 C ATOM 0 H ALA A 86 -4.486 -13.113 5.880 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.485 -10.516 6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.321 -9.952 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.363 -11.397 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.930 -11.570 4.062 1.00 0.00 H new ATOM 996 N VAL A 87 -5.739 -9.530 6.941 1.00 0.00 N ATOM 997 CA VAL A 87 -7.043 -8.892 6.990 1.00 0.00 C ATOM 998 C VAL A 87 -6.985 -7.518 6.336 1.00 0.00 C ATOM 999 O VAL A 87 -6.179 -6.663 6.720 1.00 0.00 O ATOM 1000 CB VAL A 87 -7.550 -8.750 8.442 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -8.976 -8.223 8.465 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -7.455 -10.079 9.177 1.00 0.00 C ATOM 0 H VAL A 87 -5.074 -9.184 7.633 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.739 -9.528 6.443 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.913 -8.030 8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.313 -8.131 9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.011 -7.246 7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.628 -8.914 7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.817 -9.957 10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.063 -10.823 8.663 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.417 -10.410 9.197 1.00 0.00 H new ATOM 1012 N ALA A 88 -7.837 -7.311 5.345 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.880 -6.056 4.615 1.00 0.00 C ATOM 1014 C ALA A 88 -9.319 -5.685 4.289 1.00 0.00 C ATOM 1015 O ALA A 88 -10.180 -6.554 4.204 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.059 -6.164 3.337 1.00 0.00 C ATOM 0 H ALA A 88 -8.514 -8.004 5.026 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.452 -5.272 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.099 -5.217 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.024 -6.396 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.466 -6.956 2.709 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.583 -4.402 4.109 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.920 -3.972 3.732 1.00 0.00 C ATOM 1024 C GLU A 89 -10.966 -3.650 2.248 1.00 0.00 C ATOM 1025 O GLU A 89 -9.950 -3.307 1.646 1.00 0.00 O ATOM 1026 CB GLU A 89 -11.366 -2.751 4.533 1.00 0.00 C ATOM 1027 CG GLU A 89 -11.509 -3.013 6.020 1.00 0.00 C ATOM 1028 CD GLU A 89 -12.477 -2.054 6.673 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -12.309 -0.829 6.515 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -13.438 -2.531 7.313 1.00 0.00 O ATOM 0 H GLU A 89 -8.902 -3.650 4.215 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.604 -4.792 3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.646 -1.947 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.321 -2.401 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.851 -4.036 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.534 -2.926 6.499 1.00 0.00 H new ATOM 1037 N VAL A 90 -12.152 -3.766 1.672 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.336 -3.543 0.248 1.00 0.00 C ATOM 1039 C VAL A 90 -13.033 -2.213 0.002 1.00 0.00 C ATOM 1040 O VAL A 90 -14.116 -1.960 0.539 1.00 0.00 O ATOM 1041 CB VAL A 90 -13.161 -4.684 -0.385 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.325 -4.473 -1.880 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.506 -6.024 -0.099 1.00 0.00 C ATOM 0 H VAL A 90 -13.005 -4.015 2.172 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.350 -3.522 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.155 -4.679 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.910 -5.291 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.839 -3.529 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.344 -4.448 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.097 -6.821 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.500 -6.035 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.450 -6.179 0.978 1.00 0.00 H new ATOM 1053 N TYR A 91 -12.406 -1.367 -0.799 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.938 -0.045 -1.086 1.00 0.00 C ATOM 1055 C TYR A 91 -13.174 0.132 -2.582 1.00 0.00 C ATOM 1056 O TYR A 91 -12.448 -0.424 -3.413 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.978 1.039 -0.585 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.602 0.907 0.876 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -12.463 1.333 1.881 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -10.381 0.359 1.249 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -12.117 1.215 3.216 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -10.028 0.238 2.579 1.00 0.00 C ATOM 1063 CZ TYR A 91 -10.898 0.666 3.558 1.00 0.00 C ATOM 1064 OH TYR A 91 -10.544 0.547 4.883 1.00 0.00 O ATOM 0 H TYR A 91 -11.522 -1.574 -1.265 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.891 0.053 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.069 1.010 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.435 2.016 -0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.417 1.763 1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.696 0.022 0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.797 1.551 3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.074 -0.190 2.850 1.00 0.00 H new ATOM 0 HH TYR A 91 -11.237 0.047 5.363 1.00 0.00 H new ATOM 1074 N ASN A 92 -14.196 0.902 -2.917 1.00 0.00 N ATOM 1075 CA ASN A 92 -14.499 1.231 -4.304 1.00 0.00 C ATOM 1076 C ASN A 92 -14.926 2.697 -4.375 1.00 0.00 C ATOM 1077 O ASN A 92 -14.819 3.420 -3.384 1.00 0.00 O ATOM 1078 CB ASN A 92 -15.604 0.313 -4.849 1.00 0.00 C ATOM 1079 CG ASN A 92 -15.559 0.154 -6.365 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -15.097 1.036 -7.088 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -16.039 -0.976 -6.855 1.00 0.00 N ATOM 0 H ASN A 92 -14.837 1.316 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.613 1.079 -4.921 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.514 -0.669 -4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.576 0.714 -4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.034 -1.138 -7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.415 -1.686 -6.226 1.00 0.00 H new ATOM 1088 N ASP A 93 -15.392 3.138 -5.530 1.00 0.00 N ATOM 1089 CA ASP A 93 -15.794 4.524 -5.710 1.00 0.00 C ATOM 1090 C ASP A 93 -17.309 4.668 -5.547 1.00 0.00 C ATOM 1091 O ASP A 93 -18.066 3.738 -5.829 1.00 0.00 O ATOM 1092 CB ASP A 93 -15.348 5.025 -7.085 1.00 0.00 C ATOM 1093 CG ASP A 93 -15.517 6.521 -7.239 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -16.594 6.956 -7.680 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -14.572 7.271 -6.920 1.00 0.00 O ATOM 0 H ASP A 93 -15.502 2.556 -6.360 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.311 5.132 -4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.302 4.763 -7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.924 4.516 -7.858 1.00 0.00 H new ATOM 1100 N ALA A 94 -17.744 5.843 -5.099 1.00 0.00 N ATOM 1101 CA ALA A 94 -19.155 6.087 -4.783 1.00 0.00 C ATOM 1102 C ALA A 94 -20.040 6.177 -6.030 1.00 0.00 C ATOM 1103 O ALA A 94 -21.267 6.203 -5.921 1.00 0.00 O ATOM 1104 CB ALA A 94 -19.291 7.362 -3.965 1.00 0.00 C ATOM 0 H ALA A 94 -17.137 6.648 -4.945 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.501 5.230 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -20.342 7.536 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -18.728 7.261 -3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -18.901 8.204 -4.536 1.00 0.00 H new ATOM 1290 N ALA B 22 8.294 -0.261 -7.768 1.00 0.00 N ATOM 1291 CA ALA B 22 8.215 -0.270 -6.292 1.00 0.00 C ATOM 1292 C ALA B 22 6.764 -0.194 -5.833 1.00 0.00 C ATOM 1293 O ALA B 22 5.950 0.505 -6.438 1.00 0.00 O ATOM 1294 CB ALA B 22 9.019 0.884 -5.713 1.00 0.00 C ATOM 0 HA ALA B 22 8.640 -1.206 -5.928 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.952 0.865 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA B 22 10.062 0.788 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.620 1.828 -6.085 1.00 0.00 H new ATOM 1302 N GLU B 23 6.449 -0.905 -4.758 1.00 0.00 N ATOM 1303 CA GLU B 23 5.087 -0.948 -4.235 1.00 0.00 C ATOM 1304 C GLU B 23 5.030 -0.323 -2.846 1.00 0.00 C ATOM 1305 O GLU B 23 6.065 -0.158 -2.192 1.00 0.00 O ATOM 1306 CB GLU B 23 4.592 -2.395 -4.177 1.00 0.00 C ATOM 1307 CG GLU B 23 4.517 -3.067 -5.540 1.00 0.00 C ATOM 1308 CD GLU B 23 3.364 -2.561 -6.387 1.00 0.00 C ATOM 1309 OE1 GLU B 23 3.298 -1.347 -6.654 1.00 0.00 O ATOM 1310 OE2 GLU B 23 2.512 -3.384 -6.785 1.00 0.00 O ATOM 0 H GLU B 23 7.120 -1.462 -4.229 1.00 0.00 H new ATOM 0 HA GLU B 23 4.441 -0.377 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.255 -2.972 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU B 23 3.604 -2.414 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU B 23 5.453 -2.900 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU B 23 4.415 -4.144 -5.403 1.00 0.00 H new ATOM 1317 N GLN B 24 3.832 0.030 -2.397 1.00 0.00 N ATOM 1318 CA GLN B 24 3.673 0.610 -1.072 1.00 0.00 C ATOM 1319 C GLN B 24 3.307 -0.468 -0.065 1.00 0.00 C ATOM 1320 O GLN B 24 2.391 -1.259 -0.292 1.00 0.00 O ATOM 1321 CB GLN B 24 2.599 1.702 -1.051 1.00 0.00 C ATOM 1322 CG GLN B 24 2.754 2.644 0.135 1.00 0.00 C ATOM 1323 CD GLN B 24 1.509 3.455 0.445 1.00 0.00 C ATOM 1324 OE1 GLN B 24 1.299 3.860 1.588 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.675 3.683 -0.552 1.00 0.00 N ATOM 0 H GLN B 24 2.966 -0.074 -2.925 1.00 0.00 H new ATOM 0 HA GLN B 24 4.627 1.063 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.650 2.276 -1.976 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.613 1.238 -1.017 1.00 0.00 H new ATOM 0 HG2 GLN B 24 3.025 2.062 1.016 1.00 0.00 H new ATOM 0 HG3 GLN B 24 3.580 3.327 -0.062 1.00 0.00 H new ATOM 0 HE21 GLN B 24 0.887 3.329 -1.485 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.181 4.213 -0.390 1.00 0.00 H new ATOM 1334 N VAL B 25 4.028 -0.492 1.039 1.00 0.00 N ATOM 1335 CA VAL B 25 3.762 -1.436 2.112 1.00 0.00 C ATOM 1336 C VAL B 25 3.511 -0.694 3.420 1.00 0.00 C ATOM 1337 O VAL B 25 4.037 0.401 3.632 1.00 0.00 O ATOM 1338 CB VAL B 25 4.927 -2.435 2.293 1.00 0.00 C ATOM 1339 CG1 VAL B 25 4.971 -3.421 1.135 1.00 0.00 C ATOM 1340 CG2 VAL B 25 6.255 -1.699 2.411 1.00 0.00 C ATOM 0 H VAL B 25 4.810 0.137 1.219 1.00 0.00 H new ATOM 0 HA VAL B 25 2.871 -2.001 1.839 1.00 0.00 H new ATOM 0 HB VAL B 25 4.758 -2.990 3.216 1.00 0.00 H new ATOM 0 HG11 VAL B 25 5.798 -4.116 1.280 1.00 0.00 H new ATOM 0 HG12 VAL B 25 4.034 -3.976 1.094 1.00 0.00 H new ATOM 0 HG13 VAL B 25 5.113 -2.878 0.200 1.00 0.00 H new ATOM 0 HG21 VAL B 25 7.061 -2.421 2.538 1.00 0.00 H new ATOM 0 HG22 VAL B 25 6.429 -1.116 1.507 1.00 0.00 H new ATOM 0 HG23 VAL B 25 6.226 -1.032 3.273 1.00 0.00 H new ATOM 1350 N SER B 26 2.692 -1.272 4.280 1.00 0.00 N ATOM 1351 CA SER B 26 2.380 -0.671 5.565 1.00 0.00 C ATOM 1352 C SER B 26 3.216 -1.333 6.658 1.00 0.00 C ATOM 1353 O SER B 26 3.994 -2.250 6.379 1.00 0.00 O ATOM 1354 CB SER B 26 0.881 -0.816 5.856 1.00 0.00 C ATOM 1355 OG SER B 26 0.499 -0.073 7.002 1.00 0.00 O ATOM 0 H SER B 26 2.227 -2.164 4.110 1.00 0.00 H new ATOM 0 HA SER B 26 2.623 0.391 5.542 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.308 -0.477 4.993 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.639 -1.868 6.006 1.00 0.00 H new ATOM 0 HG SER B 26 0.044 -0.663 7.638 1.00 0.00 H new ATOM 1361 N LYS B 27 3.062 -0.879 7.901 1.00 0.00 N ATOM 1362 CA LYS B 27 3.821 -1.445 9.012 1.00 0.00 C ATOM 1363 C LYS B 27 3.452 -2.906 9.221 1.00 0.00 C ATOM 1364 O LYS B 27 4.231 -3.673 9.786 1.00 0.00 O ATOM 1365 CB LYS B 27 3.585 -0.678 10.313 1.00 0.00 C ATOM 1366 CG LYS B 27 4.082 0.756 10.295 1.00 0.00 C ATOM 1367 CD LYS B 27 4.115 1.335 11.701 1.00 0.00 C ATOM 1368 CE LYS B 27 4.410 2.824 11.692 1.00 0.00 C ATOM 1369 NZ LYS B 27 3.270 3.608 11.152 1.00 0.00 N ATOM 0 H LYS B 27 2.424 -0.127 8.162 1.00 0.00 H new ATOM 0 HA LYS B 27 4.876 -1.363 8.750 1.00 0.00 H new ATOM 0 HB2 LYS B 27 2.517 -0.677 10.531 1.00 0.00 H new ATOM 0 HB3 LYS B 27 4.076 -1.210 11.128 1.00 0.00 H new ATOM 0 HG2 LYS B 27 5.080 0.794 9.858 1.00 0.00 H new ATOM 0 HG3 LYS B 27 3.434 1.362 9.663 1.00 0.00 H new ATOM 0 HD2 LYS B 27 3.157 1.157 12.190 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.873 0.818 12.289 1.00 0.00 H new ATOM 0 HE2 LYS B 27 4.632 3.157 12.706 1.00 0.00 H new ATOM 0 HE3 LYS B 27 5.299 3.015 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 3.420 4.618 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 3.202 3.460 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 2.388 3.296 11.606 1.00 0.00 H new ATOM 1383 N GLN B 28 2.268 -3.282 8.749 1.00 0.00 N ATOM 1384 CA GLN B 28 1.794 -4.652 8.875 1.00 0.00 C ATOM 1385 C GLN B 28 2.764 -5.591 8.166 1.00 0.00 C ATOM 1386 O GLN B 28 3.083 -6.672 8.662 1.00 0.00 O ATOM 1387 CB GLN B 28 0.389 -4.820 8.267 1.00 0.00 C ATOM 1388 CG GLN B 28 -0.441 -3.542 8.173 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.729 -2.885 9.512 1.00 0.00 C ATOM 1390 OE1 GLN B 28 -0.863 -1.661 9.590 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -0.834 -3.678 10.566 1.00 0.00 N ATOM 0 H GLN B 28 1.619 -2.654 8.275 1.00 0.00 H new ATOM 0 HA GLN B 28 1.738 -4.895 9.936 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.492 -5.240 7.267 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -0.162 -5.548 8.863 1.00 0.00 H new ATOM 0 HG2 GLN B 28 0.082 -2.829 7.536 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -1.387 -3.772 7.683 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -0.716 -4.686 10.460 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -1.033 -3.282 11.485 1.00 0.00 H new ATOM 1400 N GLU B 29 3.236 -5.156 7.004 1.00 0.00 N ATOM 1401 CA GLU B 29 4.175 -5.933 6.212 1.00 0.00 C ATOM 1402 C GLU B 29 5.612 -5.627 6.627 1.00 0.00 C ATOM 1403 O GLU B 29 6.408 -6.540 6.853 1.00 0.00 O ATOM 1404 CB GLU B 29 4.002 -5.641 4.714 1.00 0.00 C ATOM 1405 CG GLU B 29 2.557 -5.653 4.230 1.00 0.00 C ATOM 1406 CD GLU B 29 1.899 -4.286 4.309 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.517 -3.862 5.418 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.774 -3.621 3.262 1.00 0.00 O ATOM 0 H GLU B 29 2.979 -4.261 6.588 1.00 0.00 H new ATOM 0 HA GLU B 29 3.967 -6.988 6.393 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.437 -4.666 4.494 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.568 -6.378 4.145 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.527 -6.007 3.200 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.984 -6.362 4.828 1.00 0.00 H new ATOM 1415 N ILE B 30 5.929 -4.337 6.742 1.00 0.00 N ATOM 1416 CA ILE B 30 7.290 -3.892 7.049 1.00 0.00 C ATOM 1417 C ILE B 30 7.817 -4.525 8.336 1.00 0.00 C ATOM 1418 O ILE B 30 8.943 -5.027 8.374 1.00 0.00 O ATOM 1419 CB ILE B 30 7.372 -2.350 7.177 1.00 0.00 C ATOM 1420 CG1 ILE B 30 6.987 -1.685 5.853 1.00 0.00 C ATOM 1421 CG2 ILE B 30 8.770 -1.918 7.600 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.973 -0.171 5.911 1.00 0.00 C ATOM 0 H ILE B 30 5.258 -3.578 6.627 1.00 0.00 H new ATOM 0 HA ILE B 30 7.911 -4.216 6.214 1.00 0.00 H new ATOM 0 HB ILE B 30 6.668 -2.032 7.946 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.687 -2.003 5.080 1.00 0.00 H new ATOM 0 HG13 ILE B 30 6.000 -2.037 5.554 1.00 0.00 H new ATOM 0 HG21 ILE B 30 8.805 -0.832 7.684 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.013 -2.364 8.564 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.494 -2.248 6.855 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.691 0.228 4.936 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.252 0.158 6.660 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.965 0.192 6.179 1.00 0.00 H new ATOM 1434 N SER B 31 6.998 -4.515 9.378 1.00 0.00 N ATOM 1435 CA SER B 31 7.412 -5.030 10.675 1.00 0.00 C ATOM 1436 C SER B 31 7.360 -6.556 10.705 1.00 0.00 C ATOM 1437 O SER B 31 8.034 -7.195 11.513 1.00 0.00 O ATOM 1438 CB SER B 31 6.521 -4.450 11.773 1.00 0.00 C ATOM 1439 OG SER B 31 6.445 -3.037 11.670 1.00 0.00 O ATOM 0 H SER B 31 6.044 -4.156 9.351 1.00 0.00 H new ATOM 0 HA SER B 31 8.444 -4.726 10.850 1.00 0.00 H new ATOM 0 HB2 SER B 31 5.521 -4.878 11.700 1.00 0.00 H new ATOM 0 HB3 SER B 31 6.915 -4.727 12.751 1.00 0.00 H new ATOM 0 HG SER B 31 5.719 -2.792 11.059 1.00 0.00 H new ATOM 1445 N HIS B 32 6.571 -7.142 9.811 1.00 0.00 N ATOM 1446 CA HIS B 32 6.408 -8.590 9.781 1.00 0.00 C ATOM 1447 C HIS B 32 7.570 -9.239 9.037 1.00 0.00 C ATOM 1448 O HIS B 32 8.152 -10.209 9.511 1.00 0.00 O ATOM 1449 CB HIS B 32 5.080 -8.975 9.119 1.00 0.00 C ATOM 1450 CG HIS B 32 4.593 -10.354 9.473 1.00 0.00 C ATOM 1451 ND1 HIS B 32 3.339 -10.592 9.999 1.00 0.00 N ATOM 1452 CD2 HIS B 32 5.191 -11.569 9.373 1.00 0.00 C ATOM 1453 CE1 HIS B 32 3.190 -11.888 10.208 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.296 -12.501 9.836 1.00 0.00 N ATOM 0 H HIS B 32 6.037 -6.640 9.102 1.00 0.00 H new ATOM 0 HA HIS B 32 6.399 -8.952 10.809 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.320 -8.248 9.405 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.193 -8.908 8.037 1.00 0.00 H new ATOM 0 HD2 HIS B 32 6.185 -11.765 8.999 1.00 0.00 H new ATOM 0 HE1 HIS B 32 2.310 -12.365 10.615 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.460 -13.507 9.884 1.00 0.00 H new ATOM 1463 N PHE B 33 7.910 -8.691 7.878 1.00 0.00 N ATOM 1464 CA PHE B 33 8.969 -9.260 7.050 1.00 0.00 C ATOM 1465 C PHE B 33 10.330 -8.665 7.399 1.00 0.00 C ATOM 1466 O PHE B 33 11.362 -9.183 6.973 1.00 0.00 O ATOM 1467 CB PHE B 33 8.666 -9.039 5.566 1.00 0.00 C ATOM 1468 CG PHE B 33 7.419 -9.734 5.095 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.422 -11.100 4.857 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.248 -9.025 4.887 1.00 0.00 C ATOM 1471 CE1 PHE B 33 6.279 -11.745 4.422 1.00 0.00 C ATOM 1472 CE2 PHE B 33 5.101 -9.663 4.452 1.00 0.00 C ATOM 1473 CZ PHE B 33 5.117 -11.024 4.219 1.00 0.00 C ATOM 0 H PHE B 33 7.471 -7.856 7.490 1.00 0.00 H new ATOM 0 HA PHE B 33 9.005 -10.331 7.251 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.568 -7.970 5.379 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.512 -9.390 4.975 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.328 -11.667 5.013 1.00 0.00 H new ATOM 0 HD2 PHE B 33 6.230 -7.960 5.067 1.00 0.00 H new ATOM 0 HE1 PHE B 33 6.294 -12.810 4.241 1.00 0.00 H new ATOM 0 HE2 PHE B 33 4.194 -9.098 4.295 1.00 0.00 H new ATOM 0 HZ PHE B 33 4.223 -11.525 3.879 1.00 0.00 H new ATOM 1483 N LYS B 34 10.317 -7.584 8.181 1.00 0.00 N ATOM 1484 CA LYS B 34 11.538 -6.883 8.587 1.00 0.00 C ATOM 1485 C LYS B 34 12.270 -6.307 7.378 1.00 0.00 C ATOM 1486 O LYS B 34 13.258 -6.872 6.901 1.00 0.00 O ATOM 1487 CB LYS B 34 12.486 -7.788 9.392 1.00 0.00 C ATOM 1488 CG LYS B 34 12.053 -8.043 10.832 1.00 0.00 C ATOM 1489 CD LYS B 34 10.831 -8.942 10.920 1.00 0.00 C ATOM 1490 CE LYS B 34 10.484 -9.261 12.363 1.00 0.00 C ATOM 1491 NZ LYS B 34 9.301 -10.155 12.474 1.00 0.00 N ATOM 0 H LYS B 34 9.461 -7.170 8.551 1.00 0.00 H new ATOM 0 HA LYS B 34 11.226 -6.064 9.235 1.00 0.00 H new ATOM 0 HB2 LYS B 34 12.575 -8.745 8.879 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.478 -7.337 9.400 1.00 0.00 H new ATOM 0 HG2 LYS B 34 12.877 -8.500 11.381 1.00 0.00 H new ATOM 0 HG3 LYS B 34 11.836 -7.091 11.317 1.00 0.00 H new ATOM 0 HD2 LYS B 34 9.983 -8.455 10.439 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.018 -9.868 10.375 1.00 0.00 H new ATOM 0 HE2 LYS B 34 11.340 -9.733 12.844 1.00 0.00 H new ATOM 0 HE3 LYS B 34 10.288 -8.333 12.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 8.623 -9.752 13.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 8.846 -10.246 11.543 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 9.605 -11.093 12.805 1.00 0.00 H new ATOM 1505 N LEU B 35 11.772 -5.186 6.880 1.00 0.00 N ATOM 1506 CA LEU B 35 12.380 -4.527 5.731 1.00 0.00 C ATOM 1507 C LEU B 35 13.444 -3.530 6.179 1.00 0.00 C ATOM 1508 O LEU B 35 13.313 -2.898 7.230 1.00 0.00 O ATOM 1509 CB LEU B 35 11.312 -3.817 4.896 1.00 0.00 C ATOM 1510 CG LEU B 35 10.240 -4.731 4.297 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.204 -3.911 3.543 1.00 0.00 C ATOM 1512 CD2 LEU B 35 10.872 -5.765 3.377 1.00 0.00 C ATOM 0 H LEU B 35 10.949 -4.712 7.252 1.00 0.00 H new ATOM 0 HA LEU B 35 12.858 -5.289 5.116 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.822 -3.070 5.521 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.805 -3.281 4.085 1.00 0.00 H new ATOM 0 HG LEU B 35 9.741 -5.256 5.112 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.449 -4.576 3.123 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.729 -3.208 4.227 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.691 -3.361 2.738 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.094 -6.405 2.961 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.397 -5.259 2.567 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.578 -6.373 3.943 1.00 0.00 H new ATOM 1524 N VAL B 36 14.492 -3.395 5.377 1.00 0.00 N ATOM 1525 CA VAL B 36 15.591 -2.492 5.694 1.00 0.00 C ATOM 1526 C VAL B 36 15.365 -1.135 5.036 1.00 0.00 C ATOM 1527 O VAL B 36 15.070 -1.062 3.845 1.00 0.00 O ATOM 1528 CB VAL B 36 16.947 -3.065 5.219 1.00 0.00 C ATOM 1529 CG1 VAL B 36 18.097 -2.158 5.634 1.00 0.00 C ATOM 1530 CG2 VAL B 36 17.154 -4.472 5.758 1.00 0.00 C ATOM 0 H VAL B 36 14.604 -3.901 4.499 1.00 0.00 H new ATOM 0 HA VAL B 36 15.620 -2.378 6.778 1.00 0.00 H new ATOM 0 HB VAL B 36 16.930 -3.113 4.130 1.00 0.00 H new ATOM 0 HG11 VAL B 36 19.039 -2.583 5.288 1.00 0.00 H new ATOM 0 HG12 VAL B 36 17.960 -1.171 5.191 1.00 0.00 H new ATOM 0 HG13 VAL B 36 18.116 -2.069 6.720 1.00 0.00 H new ATOM 0 HG21 VAL B 36 18.113 -4.857 5.412 1.00 0.00 H new ATOM 0 HG22 VAL B 36 17.144 -4.449 6.848 1.00 0.00 H new ATOM 0 HG23 VAL B 36 16.353 -5.120 5.401 1.00 0.00 H new ATOM 1540 N LYS B 37 15.492 -0.069 5.813 1.00 0.00 N ATOM 1541 CA LYS B 37 15.314 1.279 5.290 1.00 0.00 C ATOM 1542 C LYS B 37 16.551 1.726 4.519 1.00 0.00 C ATOM 1543 O LYS B 37 17.672 1.641 5.019 1.00 0.00 O ATOM 1544 CB LYS B 37 15.014 2.262 6.423 1.00 0.00 C ATOM 1545 CG LYS B 37 15.023 3.716 5.983 1.00 0.00 C ATOM 1546 CD LYS B 37 14.705 4.653 7.132 1.00 0.00 C ATOM 1547 CE LYS B 37 15.008 6.094 6.763 1.00 0.00 C ATOM 1548 NZ LYS B 37 14.603 7.040 7.833 1.00 0.00 N ATOM 0 H LYS B 37 15.717 -0.111 6.807 1.00 0.00 H new ATOM 0 HA LYS B 37 14.465 1.267 4.606 1.00 0.00 H new ATOM 0 HB2 LYS B 37 14.039 2.026 6.849 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.750 2.126 7.216 1.00 0.00 H new ATOM 0 HG2 LYS B 37 16.001 3.965 5.571 1.00 0.00 H new ATOM 0 HG3 LYS B 37 14.295 3.859 5.185 1.00 0.00 H new ATOM 0 HD2 LYS B 37 13.654 4.557 7.403 1.00 0.00 H new ATOM 0 HD3 LYS B 37 15.287 4.369 8.009 1.00 0.00 H new ATOM 0 HE2 LYS B 37 16.075 6.202 6.569 1.00 0.00 H new ATOM 0 HE3 LYS B 37 14.489 6.348 5.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 15.279 7.829 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 13.652 7.408 7.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 14.594 6.546 8.748 1.00 0.00 H new ATOM 1562 N VAL B 38 16.336 2.199 3.301 1.00 0.00 N ATOM 1563 CA VAL B 38 17.423 2.672 2.457 1.00 0.00 C ATOM 1564 C VAL B 38 17.545 4.192 2.538 1.00 0.00 C ATOM 1565 O VAL B 38 18.644 4.747 2.477 1.00 0.00 O ATOM 1566 CB VAL B 38 17.211 2.251 0.986 1.00 0.00 C ATOM 1567 CG1 VAL B 38 18.359 2.724 0.107 1.00 0.00 C ATOM 1568 CG2 VAL B 38 17.049 0.745 0.884 1.00 0.00 C ATOM 0 H VAL B 38 15.413 2.266 2.873 1.00 0.00 H new ATOM 0 HA VAL B 38 18.344 2.217 2.822 1.00 0.00 H new ATOM 0 HB VAL B 38 16.298 2.726 0.628 1.00 0.00 H new ATOM 0 HG11 VAL B 38 18.181 2.413 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL B 38 18.427 3.811 0.151 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.293 2.288 0.462 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.901 0.465 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.945 0.256 1.267 1.00 0.00 H new ATOM 0 HG23 VAL B 38 16.185 0.431 1.470 1.00 0.00 H new ATOM 1578 N GLY B 39 16.407 4.859 2.685 1.00 0.00 N ATOM 1579 CA GLY B 39 16.394 6.306 2.752 1.00 0.00 C ATOM 1580 C GLY B 39 14.985 6.856 2.744 1.00 0.00 C ATOM 1581 O GLY B 39 14.033 6.132 3.036 1.00 0.00 O ATOM 0 H GLY B 39 15.489 4.420 2.759 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.907 6.633 3.657 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.948 6.714 1.907 1.00 0.00 H new ATOM 1585 N THR B 40 14.845 8.128 2.410 1.00 0.00 N ATOM 1586 CA THR B 40 13.541 8.769 2.357 1.00 0.00 C ATOM 1587 C THR B 40 13.403 9.583 1.069 1.00 0.00 C ATOM 1588 O THR B 40 14.357 10.231 0.637 1.00 0.00 O ATOM 1589 CB THR B 40 13.336 9.689 3.583 1.00 0.00 C ATOM 1590 OG1 THR B 40 13.608 8.961 4.791 1.00 0.00 O ATOM 1591 CG2 THR B 40 11.917 10.239 3.631 1.00 0.00 C ATOM 0 H THR B 40 15.624 8.741 2.170 1.00 0.00 H new ATOM 0 HA THR B 40 12.777 7.992 2.371 1.00 0.00 H new ATOM 0 HB THR B 40 14.027 10.527 3.493 1.00 0.00 H new ATOM 0 HG1 THR B 40 12.766 8.767 5.253 1.00 0.00 H new ATOM 0 HG21 THR B 40 11.805 10.882 4.504 1.00 0.00 H new ATOM 0 HG22 THR B 40 11.720 10.816 2.728 1.00 0.00 H new ATOM 0 HG23 THR B 40 11.209 9.413 3.695 1.00 0.00 H new ATOM 1599 N ILE B 41 12.230 9.529 0.447 1.00 0.00 N ATOM 1600 CA ILE B 41 11.971 10.293 -0.766 1.00 0.00 C ATOM 1601 C ILE B 41 10.835 11.284 -0.539 1.00 0.00 C ATOM 1602 O ILE B 41 9.975 11.077 0.321 1.00 0.00 O ATOM 1603 CB ILE B 41 11.622 9.389 -1.972 1.00 0.00 C ATOM 1604 CG1 ILE B 41 10.453 8.458 -1.634 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.841 8.592 -2.411 1.00 0.00 C ATOM 1606 CD1 ILE B 41 10.001 7.598 -2.796 1.00 0.00 C ATOM 0 H ILE B 41 11.443 8.963 0.764 1.00 0.00 H new ATOM 0 HA ILE B 41 12.892 10.826 -1.001 1.00 0.00 H new ATOM 0 HB ILE B 41 11.314 10.027 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.744 7.811 -0.807 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.611 9.058 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.577 7.962 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.638 9.277 -2.701 1.00 0.00 H new ATOM 0 HG23 ILE B 41 13.182 7.966 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE B 41 9.171 6.966 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.678 8.237 -3.618 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.828 6.971 -3.128 1.00 0.00 H new ATOM 1618 N ASN B 42 10.840 12.358 -1.305 1.00 0.00 N ATOM 1619 CA ASN B 42 9.829 13.393 -1.172 1.00 0.00 C ATOM 1620 C ASN B 42 9.361 13.857 -2.541 1.00 0.00 C ATOM 1621 O ASN B 42 10.154 14.357 -3.342 1.00 0.00 O ATOM 1622 CB ASN B 42 10.387 14.581 -0.376 1.00 0.00 C ATOM 1623 CG ASN B 42 9.391 15.719 -0.233 1.00 0.00 C ATOM 1624 OD1 ASN B 42 8.181 15.507 -0.191 1.00 0.00 O ATOM 1625 ND2 ASN B 42 9.899 16.940 -0.159 1.00 0.00 N ATOM 0 H ASN B 42 11.535 12.538 -2.029 1.00 0.00 H new ATOM 0 HA ASN B 42 8.977 12.977 -0.634 1.00 0.00 H new ATOM 0 HB2 ASN B 42 10.685 14.239 0.615 1.00 0.00 H new ATOM 0 HB3 ASN B 42 11.286 14.952 -0.869 1.00 0.00 H new ATOM 0 HD21 ASN B 42 9.280 17.745 -0.064 1.00 0.00 H new ATOM 0 HD22 ASN B 42 10.909 17.075 -0.197 1.00 0.00 H new ATOM 1632 N VAL B 43 8.082 13.683 -2.812 1.00 0.00 N ATOM 1633 CA VAL B 43 7.505 14.146 -4.058 1.00 0.00 C ATOM 1634 C VAL B 43 6.758 15.443 -3.809 1.00 0.00 C ATOM 1635 O VAL B 43 5.638 15.444 -3.298 1.00 0.00 O ATOM 1636 CB VAL B 43 6.542 13.108 -4.681 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.966 13.622 -5.993 1.00 0.00 C ATOM 1638 CG2 VAL B 43 7.244 11.776 -4.900 1.00 0.00 C ATOM 0 H VAL B 43 7.422 13.223 -2.185 1.00 0.00 H new ATOM 0 HA VAL B 43 8.320 14.300 -4.765 1.00 0.00 H new ATOM 0 HB VAL B 43 5.722 12.953 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL B 43 5.292 12.875 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.416 14.546 -5.812 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.777 13.814 -6.696 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.545 11.064 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL B 43 8.089 11.917 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.601 11.392 -3.945 1.00 0.00 H new ATOM 1648 N SER B 44 7.394 16.543 -4.150 1.00 0.00 N ATOM 1649 CA SER B 44 6.800 17.849 -3.974 1.00 0.00 C ATOM 1650 C SER B 44 6.494 18.440 -5.336 1.00 0.00 C ATOM 1651 O SER B 44 7.402 18.783 -6.095 1.00 0.00 O ATOM 1652 CB SER B 44 7.752 18.754 -3.190 1.00 0.00 C ATOM 1653 OG SER B 44 7.122 19.962 -2.797 1.00 0.00 O ATOM 0 H SER B 44 8.330 16.557 -4.554 1.00 0.00 H new ATOM 0 HA SER B 44 5.873 17.762 -3.408 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.111 18.226 -2.306 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.625 18.981 -3.802 1.00 0.00 H new ATOM 0 HG SER B 44 6.898 19.919 -1.844 1.00 0.00 H new ATOM 1659 N GLN B 45 5.219 18.523 -5.660 1.00 0.00 N ATOM 1660 CA GLN B 45 4.807 18.992 -6.967 1.00 0.00 C ATOM 1661 C GLN B 45 3.969 20.249 -6.834 1.00 0.00 C ATOM 1662 O GLN B 45 3.100 20.341 -5.968 1.00 0.00 O ATOM 1663 CB GLN B 45 4.025 17.905 -7.708 1.00 0.00 C ATOM 1664 CG GLN B 45 4.836 16.645 -7.976 1.00 0.00 C ATOM 1665 CD GLN B 45 6.091 16.912 -8.790 1.00 0.00 C ATOM 1666 OE1 GLN B 45 6.128 17.819 -9.623 1.00 0.00 O ATOM 1667 NE2 GLN B 45 7.128 16.122 -8.553 1.00 0.00 N ATOM 0 H GLN B 45 4.452 18.272 -5.037 1.00 0.00 H new ATOM 0 HA GLN B 45 5.700 19.227 -7.547 1.00 0.00 H new ATOM 0 HB2 GLN B 45 3.143 17.642 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.670 18.307 -8.657 1.00 0.00 H new ATOM 0 HG2 GLN B 45 5.115 16.190 -7.026 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.213 15.923 -8.504 1.00 0.00 H new ATOM 0 HE21 GLN B 45 7.056 15.382 -7.855 1.00 0.00 H new ATOM 0 HE22 GLN B 45 7.998 16.254 -9.069 1.00 0.00 H new ATOM 1676 N SER B 46 4.234 21.214 -7.691 1.00 0.00 N ATOM 1677 CA SER B 46 3.529 22.476 -7.645 1.00 0.00 C ATOM 1678 C SER B 46 2.381 22.463 -8.640 1.00 0.00 C ATOM 1679 O SER B 46 2.530 22.857 -9.799 1.00 0.00 O ATOM 1680 CB SER B 46 4.491 23.628 -7.925 1.00 0.00 C ATOM 1681 OG SER B 46 5.575 23.599 -7.011 1.00 0.00 O ATOM 0 H SER B 46 4.935 21.147 -8.429 1.00 0.00 H new ATOM 0 HA SER B 46 3.114 22.621 -6.648 1.00 0.00 H new ATOM 0 HB2 SER B 46 4.866 23.557 -8.946 1.00 0.00 H new ATOM 0 HB3 SER B 46 3.964 24.579 -7.844 1.00 0.00 H new ATOM 0 HG SER B 46 6.185 24.342 -7.203 1.00 0.00 H new ATOM 1687 N GLY B 47 1.248 21.960 -8.186 1.00 0.00 N ATOM 1688 CA GLY B 47 0.086 21.862 -9.031 1.00 0.00 C ATOM 1689 C GLY B 47 -0.490 20.470 -9.032 1.00 0.00 C ATOM 1690 O GLY B 47 0.025 19.575 -8.354 1.00 0.00 O ATOM 0 H GLY B 47 1.114 21.615 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -0.671 22.568 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.352 22.146 -10.049 1.00 0.00 H new ATOM 1694 N GLY B 48 -1.551 20.275 -9.799 1.00 0.00 N ATOM 1695 CA GLY B 48 -2.194 18.982 -9.864 1.00 0.00 C ATOM 1696 C GLY B 48 -1.470 18.029 -10.788 1.00 0.00 C ATOM 1697 O GLY B 48 -2.043 17.558 -11.770 1.00 0.00 O ATOM 0 H GLY B 48 -1.980 20.995 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.240 18.551 -8.864 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -3.222 19.106 -10.206 1.00 0.00 H new ATOM 1701 N GLN B 49 -0.207 17.767 -10.479 1.00 0.00 N ATOM 1702 CA GLN B 49 0.595 16.813 -11.233 1.00 0.00 C ATOM 1703 C GLN B 49 0.019 15.413 -11.080 1.00 0.00 C ATOM 1704 O GLN B 49 -0.193 14.702 -12.063 1.00 0.00 O ATOM 1705 CB GLN B 49 2.049 16.846 -10.752 1.00 0.00 C ATOM 1706 CG GLN B 49 2.790 18.115 -11.134 1.00 0.00 C ATOM 1707 CD GLN B 49 3.043 18.222 -12.625 1.00 0.00 C ATOM 1708 OE1 GLN B 49 3.079 19.321 -13.180 1.00 0.00 O ATOM 1709 NE2 GLN B 49 3.234 17.086 -13.282 1.00 0.00 N ATOM 0 H GLN B 49 0.288 18.207 -9.703 1.00 0.00 H new ATOM 0 HA GLN B 49 0.572 17.089 -12.287 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.066 16.738 -9.667 1.00 0.00 H new ATOM 0 HB3 GLN B 49 2.579 15.988 -11.166 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.214 18.980 -10.805 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.743 18.147 -10.605 1.00 0.00 H new ATOM 0 HE21 GLN B 49 3.196 16.196 -12.784 1.00 0.00 H new ATOM 0 HE22 GLN B 49 3.419 17.102 -14.285 1.00 0.00 H new ATOM 1718 N ILE B 50 -0.247 15.034 -9.840 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.870 13.755 -9.556 1.00 0.00 C ATOM 1720 C ILE B 50 -2.379 13.868 -9.755 1.00 0.00 C ATOM 1721 O ILE B 50 -3.103 14.389 -8.900 1.00 0.00 O ATOM 1722 CB ILE B 50 -0.560 13.250 -8.121 1.00 0.00 C ATOM 1723 CG1 ILE B 50 0.941 12.961 -7.944 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -1.371 12.001 -7.805 1.00 0.00 C ATOM 1725 CD1 ILE B 50 1.794 14.197 -7.741 1.00 0.00 C ATOM 0 H ILE B 50 -0.040 15.596 -9.014 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.453 13.024 -10.249 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.841 14.040 -7.425 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.073 12.298 -7.089 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.302 12.425 -8.822 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.140 11.663 -6.795 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.434 12.230 -7.876 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.121 11.215 -8.517 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.837 13.904 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.696 14.853 -8.606 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.463 14.724 -6.846 1.00 0.00 H new ATOM 1737 N SER B 51 -2.839 13.418 -10.910 1.00 0.00 N ATOM 1738 CA SER B 51 -4.249 13.481 -11.254 1.00 0.00 C ATOM 1739 C SER B 51 -4.985 12.225 -10.793 1.00 0.00 C ATOM 1740 O SER B 51 -6.198 12.240 -10.587 1.00 0.00 O ATOM 1741 CB SER B 51 -4.392 13.660 -12.766 1.00 0.00 C ATOM 1742 OG SER B 51 -3.570 12.736 -13.459 1.00 0.00 O ATOM 0 H SER B 51 -2.250 13.001 -11.631 1.00 0.00 H new ATOM 0 HA SER B 51 -4.698 14.332 -10.742 1.00 0.00 H new ATOM 0 HB2 SER B 51 -5.433 13.518 -13.057 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.119 14.678 -13.044 1.00 0.00 H new ATOM 0 HG SER B 51 -3.676 12.864 -14.425 1.00 0.00 H new ATOM 1748 N SER B 52 -4.246 11.137 -10.639 1.00 0.00 N ATOM 1749 CA SER B 52 -4.820 9.866 -10.223 1.00 0.00 C ATOM 1750 C SER B 52 -3.795 9.063 -9.421 1.00 0.00 C ATOM 1751 O SER B 52 -2.593 9.307 -9.534 1.00 0.00 O ATOM 1752 CB SER B 52 -5.287 9.079 -11.455 1.00 0.00 C ATOM 1753 OG SER B 52 -6.271 9.803 -12.178 1.00 0.00 O ATOM 0 H SER B 52 -3.239 11.109 -10.797 1.00 0.00 H new ATOM 0 HA SER B 52 -5.682 10.053 -9.583 1.00 0.00 H new ATOM 0 HB2 SER B 52 -4.435 8.870 -12.102 1.00 0.00 H new ATOM 0 HB3 SER B 52 -5.694 8.117 -11.144 1.00 0.00 H new ATOM 0 HG SER B 52 -6.552 9.282 -12.959 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.257 8.099 -8.596 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.377 7.278 -7.750 1.00 0.00 C ATOM 1761 C PRO B 53 -2.281 6.569 -8.545 1.00 0.00 C ATOM 1762 O PRO B 53 -1.190 6.326 -8.028 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.325 6.250 -7.111 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.589 6.330 -7.900 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.671 7.739 -8.409 1.00 0.00 C ATOM 0 HA PRO B 53 -2.845 7.892 -7.023 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -3.900 5.247 -7.150 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -4.503 6.480 -6.060 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -5.580 5.617 -8.725 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -6.452 6.089 -7.280 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -6.231 7.800 -9.342 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.166 8.399 -7.696 1.00 0.00 H new ATOM 1773 N SER B 54 -2.576 6.249 -9.801 1.00 0.00 N ATOM 1774 CA SER B 54 -1.611 5.603 -10.683 1.00 0.00 C ATOM 1775 C SER B 54 -0.364 6.471 -10.845 1.00 0.00 C ATOM 1776 O SER B 54 0.761 5.992 -10.685 1.00 0.00 O ATOM 1777 CB SER B 54 -2.257 5.330 -12.046 1.00 0.00 C ATOM 1778 OG SER B 54 -1.341 4.743 -12.955 1.00 0.00 O ATOM 0 H SER B 54 -3.482 6.428 -10.233 1.00 0.00 H new ATOM 0 HA SER B 54 -1.307 4.655 -10.239 1.00 0.00 H new ATOM 0 HB2 SER B 54 -3.114 4.669 -11.916 1.00 0.00 H new ATOM 0 HB3 SER B 54 -2.635 6.264 -12.463 1.00 0.00 H new ATOM 0 HG SER B 54 -1.788 4.582 -13.812 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.570 7.755 -11.130 1.00 0.00 N ATOM 1785 CA ASP B 55 0.538 8.691 -11.295 1.00 0.00 C ATOM 1786 C ASP B 55 1.313 8.831 -9.994 1.00 0.00 C ATOM 1787 O ASP B 55 2.546 8.853 -9.994 1.00 0.00 O ATOM 1788 CB ASP B 55 0.032 10.061 -11.749 1.00 0.00 C ATOM 1789 CG ASP B 55 1.157 11.071 -11.877 1.00 0.00 C ATOM 1790 OD1 ASP B 55 1.933 10.980 -12.849 1.00 0.00 O ATOM 1791 OD2 ASP B 55 1.286 11.942 -11.000 1.00 0.00 O ATOM 0 H ASP B 55 -1.494 8.170 -11.251 1.00 0.00 H new ATOM 0 HA ASP B 55 1.202 8.294 -12.063 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.475 9.960 -12.709 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -0.706 10.429 -11.036 1.00 0.00 H new ATOM 1796 N LEU B 56 0.575 8.906 -8.888 1.00 0.00 N ATOM 1797 CA LEU B 56 1.172 9.002 -7.559 1.00 0.00 C ATOM 1798 C LEU B 56 2.115 7.832 -7.307 1.00 0.00 C ATOM 1799 O LEU B 56 3.254 8.021 -6.874 1.00 0.00 O ATOM 1800 CB LEU B 56 0.076 9.029 -6.488 1.00 0.00 C ATOM 1801 CG LEU B 56 0.571 9.128 -5.043 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.332 10.426 -4.822 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.597 9.021 -4.074 1.00 0.00 C ATOM 0 H LEU B 56 -0.445 8.902 -8.888 1.00 0.00 H new ATOM 0 HA LEU B 56 1.745 9.928 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.582 9.875 -6.687 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.527 8.126 -6.586 1.00 0.00 H new ATOM 0 HG LEU B 56 1.253 8.298 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.675 10.475 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.192 10.462 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.676 11.272 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.229 9.093 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.302 9.830 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.098 8.063 -4.212 1.00 0.00 H new ATOM 1815 N ARG B 57 1.638 6.623 -7.592 1.00 0.00 N ATOM 1816 CA ARG B 57 2.452 5.425 -7.432 1.00 0.00 C ATOM 1817 C ARG B 57 3.671 5.489 -8.336 1.00 0.00 C ATOM 1818 O ARG B 57 4.775 5.146 -7.924 1.00 0.00 O ATOM 1819 CB ARG B 57 1.646 4.163 -7.750 1.00 0.00 C ATOM 1820 CG ARG B 57 0.487 3.911 -6.800 1.00 0.00 C ATOM 1821 CD ARG B 57 0.943 3.905 -5.351 1.00 0.00 C ATOM 1822 NE ARG B 57 -0.109 3.444 -4.452 1.00 0.00 N ATOM 1823 CZ ARG B 57 -0.577 4.136 -3.420 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -0.150 5.369 -3.184 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -1.482 3.596 -2.621 1.00 0.00 N ATOM 0 H ARG B 57 0.693 6.449 -7.934 1.00 0.00 H new ATOM 0 HA ARG B 57 2.774 5.380 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG B 57 1.259 4.239 -8.766 1.00 0.00 H new ATOM 0 HB3 ARG B 57 2.315 3.302 -7.727 1.00 0.00 H new ATOM 0 HG2 ARG B 57 -0.273 4.680 -6.940 1.00 0.00 H new ATOM 0 HG3 ARG B 57 0.021 2.955 -7.039 1.00 0.00 H new ATOM 0 HD2 ARG B 57 1.817 3.261 -5.248 1.00 0.00 H new ATOM 0 HD3 ARG B 57 1.252 4.910 -5.063 1.00 0.00 H new ATOM 0 HE ARG B 57 -0.514 2.525 -4.629 1.00 0.00 H new ATOM 0 HH11 ARG B 57 0.544 5.795 -3.798 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -0.516 5.892 -2.388 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -1.819 2.650 -2.798 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -1.843 4.126 -1.828 1.00 0.00 H new ATOM 1839 N GLU B 58 3.461 5.948 -9.563 1.00 0.00 N ATOM 1840 CA GLU B 58 4.534 6.045 -10.541 1.00 0.00 C ATOM 1841 C GLU B 58 5.648 6.967 -10.046 1.00 0.00 C ATOM 1842 O GLU B 58 6.825 6.640 -10.170 1.00 0.00 O ATOM 1843 CB GLU B 58 3.993 6.559 -11.874 1.00 0.00 C ATOM 1844 CG GLU B 58 5.017 6.517 -12.992 1.00 0.00 C ATOM 1845 CD GLU B 58 4.622 7.376 -14.169 1.00 0.00 C ATOM 1846 OE1 GLU B 58 4.954 8.579 -14.157 1.00 0.00 O ATOM 1847 OE2 GLU B 58 3.988 6.856 -15.110 1.00 0.00 O ATOM 0 H GLU B 58 2.552 6.260 -9.905 1.00 0.00 H new ATOM 0 HA GLU B 58 4.949 5.047 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.127 5.963 -12.161 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.646 7.584 -11.747 1.00 0.00 H new ATOM 0 HG2 GLU B 58 5.982 6.851 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.145 5.487 -13.325 1.00 0.00 H new ATOM 1854 N LYS B 59 5.271 8.114 -9.478 1.00 0.00 N ATOM 1855 CA LYS B 59 6.254 9.075 -8.973 1.00 0.00 C ATOM 1856 C LYS B 59 7.103 8.425 -7.894 1.00 0.00 C ATOM 1857 O LYS B 59 8.332 8.414 -7.973 1.00 0.00 O ATOM 1858 CB LYS B 59 5.573 10.313 -8.370 1.00 0.00 C ATOM 1859 CG LYS B 59 4.549 11.014 -9.259 1.00 0.00 C ATOM 1860 CD LYS B 59 5.184 11.790 -10.407 1.00 0.00 C ATOM 1861 CE LYS B 59 5.523 10.897 -11.588 1.00 0.00 C ATOM 1862 NZ LYS B 59 4.325 10.199 -12.132 1.00 0.00 N ATOM 0 H LYS B 59 4.299 8.399 -9.357 1.00 0.00 H new ATOM 0 HA LYS B 59 6.872 9.384 -9.816 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.079 10.017 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.346 11.034 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS B 59 3.862 10.272 -9.666 1.00 0.00 H new ATOM 0 HG3 LYS B 59 3.956 11.697 -8.651 1.00 0.00 H new ATOM 0 HD2 LYS B 59 4.502 12.576 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS B 59 6.091 12.281 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS B 59 5.979 11.497 -12.375 1.00 0.00 H new ATOM 0 HE3 LYS B 59 6.263 10.158 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 4.594 9.655 -12.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 3.943 9.553 -11.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 3.601 10.900 -12.388 1.00 0.00 H new ATOM 1876 N LEU B 60 6.424 7.877 -6.895 1.00 0.00 N ATOM 1877 CA LEU B 60 7.082 7.245 -5.762 1.00 0.00 C ATOM 1878 C LEU B 60 7.944 6.078 -6.220 1.00 0.00 C ATOM 1879 O LEU B 60 9.098 5.955 -5.817 1.00 0.00 O ATOM 1880 CB LEU B 60 6.034 6.758 -4.763 1.00 0.00 C ATOM 1881 CG LEU B 60 5.113 7.845 -4.209 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.948 7.219 -3.466 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.884 8.783 -3.293 1.00 0.00 C ATOM 0 H LEU B 60 5.405 7.859 -6.848 1.00 0.00 H new ATOM 0 HA LEU B 60 7.727 7.980 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.422 5.995 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.545 6.277 -3.929 1.00 0.00 H new ATOM 0 HG LEU B 60 4.722 8.426 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.300 8.005 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.380 6.585 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.325 6.617 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.212 9.550 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.302 8.217 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.691 9.256 -3.852 1.00 0.00 H new ATOM 1895 N SER B 61 7.377 5.235 -7.074 1.00 0.00 N ATOM 1896 CA SER B 61 8.080 4.070 -7.585 1.00 0.00 C ATOM 1897 C SER B 61 9.334 4.484 -8.340 1.00 0.00 C ATOM 1898 O SER B 61 10.410 3.948 -8.094 1.00 0.00 O ATOM 1899 CB SER B 61 7.164 3.250 -8.498 1.00 0.00 C ATOM 1900 OG SER B 61 7.809 2.073 -8.964 1.00 0.00 O ATOM 0 H SER B 61 6.426 5.340 -7.428 1.00 0.00 H new ATOM 0 HA SER B 61 8.375 3.453 -6.736 1.00 0.00 H new ATOM 0 HB2 SER B 61 6.258 2.979 -7.957 1.00 0.00 H new ATOM 0 HB3 SER B 61 6.857 3.859 -9.349 1.00 0.00 H new ATOM 0 HG SER B 61 7.596 1.325 -8.368 1.00 0.00 H new ATOM 1906 N GLU B 62 9.196 5.453 -9.238 1.00 0.00 N ATOM 1907 CA GLU B 62 10.311 5.889 -10.067 1.00 0.00 C ATOM 1908 C GLU B 62 11.477 6.347 -9.200 1.00 0.00 C ATOM 1909 O GLU B 62 12.630 5.993 -9.448 1.00 0.00 O ATOM 1910 CB GLU B 62 9.890 7.036 -10.984 1.00 0.00 C ATOM 1911 CG GLU B 62 10.782 7.178 -12.200 1.00 0.00 C ATOM 1912 CD GLU B 62 10.827 8.584 -12.749 1.00 0.00 C ATOM 1913 OE1 GLU B 62 9.758 9.139 -13.074 1.00 0.00 O ATOM 1914 OE2 GLU B 62 11.938 9.136 -12.875 1.00 0.00 O ATOM 0 H GLU B 62 8.323 5.951 -9.410 1.00 0.00 H new ATOM 0 HA GLU B 62 10.623 5.040 -10.675 1.00 0.00 H new ATOM 0 HB2 GLU B 62 8.863 6.875 -11.310 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.903 7.969 -10.420 1.00 0.00 H new ATOM 0 HG2 GLU B 62 11.793 6.865 -11.938 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.431 6.502 -12.980 1.00 0.00 H new ATOM 1921 N LEU B 63 11.161 7.121 -8.172 1.00 0.00 N ATOM 1922 CA LEU B 63 12.178 7.679 -7.297 1.00 0.00 C ATOM 1923 C LEU B 63 12.742 6.609 -6.370 1.00 0.00 C ATOM 1924 O LEU B 63 13.944 6.579 -6.107 1.00 0.00 O ATOM 1925 CB LEU B 63 11.592 8.839 -6.489 1.00 0.00 C ATOM 1926 CG LEU B 63 10.964 9.955 -7.332 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.360 11.027 -6.441 1.00 0.00 C ATOM 1928 CD2 LEU B 63 11.991 10.563 -8.277 1.00 0.00 C ATOM 0 H LEU B 63 10.205 7.377 -7.924 1.00 0.00 H new ATOM 0 HA LEU B 63 12.996 8.056 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.835 8.445 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.381 9.269 -5.872 1.00 0.00 H new ATOM 0 HG LEU B 63 10.166 9.517 -7.931 1.00 0.00 H new ATOM 0 HD11 LEU B 63 9.920 11.809 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.588 10.585 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.138 11.458 -5.811 1.00 0.00 H new ATOM 0 HD21 LEU B 63 11.522 11.352 -8.865 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.815 10.982 -7.699 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.372 9.791 -8.945 1.00 0.00 H new ATOM 1940 N ALA B 64 11.878 5.721 -5.893 1.00 0.00 N ATOM 1941 CA ALA B 64 12.293 4.650 -4.993 1.00 0.00 C ATOM 1942 C ALA B 64 13.175 3.635 -5.716 1.00 0.00 C ATOM 1943 O ALA B 64 14.250 3.276 -5.230 1.00 0.00 O ATOM 1944 CB ALA B 64 11.079 3.965 -4.386 1.00 0.00 C ATOM 0 H ALA B 64 10.882 5.721 -6.115 1.00 0.00 H new ATOM 0 HA ALA B 64 12.881 5.094 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.407 3.169 -3.717 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.494 4.693 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.465 3.541 -5.181 1.00 0.00 H new ATOM 1950 N ASP B 65 12.725 3.186 -6.887 1.00 0.00 N ATOM 1951 CA ASP B 65 13.490 2.231 -7.687 1.00 0.00 C ATOM 1952 C ASP B 65 14.819 2.839 -8.121 1.00 0.00 C ATOM 1953 O ASP B 65 15.802 2.124 -8.318 1.00 0.00 O ATOM 1954 CB ASP B 65 12.697 1.767 -8.919 1.00 0.00 C ATOM 1955 CG ASP B 65 11.621 0.744 -8.587 1.00 0.00 C ATOM 1956 OD1 ASP B 65 11.963 -0.437 -8.367 1.00 0.00 O ATOM 1957 OD2 ASP B 65 10.426 1.109 -8.562 1.00 0.00 O ATOM 0 H ASP B 65 11.837 3.467 -7.302 1.00 0.00 H new ATOM 0 HA ASP B 65 13.685 1.360 -7.061 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.233 2.633 -9.392 1.00 0.00 H new ATOM 0 HB3 ASP B 65 13.386 1.337 -9.646 1.00 0.00 H new ATOM 1962 N ALA B 66 14.844 4.162 -8.264 1.00 0.00 N ATOM 1963 CA ALA B 66 16.073 4.874 -8.594 1.00 0.00 C ATOM 1964 C ALA B 66 17.024 4.896 -7.399 1.00 0.00 C ATOM 1965 O ALA B 66 18.232 4.714 -7.554 1.00 0.00 O ATOM 1966 CB ALA B 66 15.765 6.292 -9.052 1.00 0.00 C ATOM 0 H ALA B 66 14.026 4.762 -8.156 1.00 0.00 H new ATOM 0 HA ALA B 66 16.562 4.345 -9.412 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.695 6.806 -9.293 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.129 6.259 -9.936 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.250 6.828 -8.255 1.00 0.00 H new ATOM 1972 N LYS B 67 16.468 5.116 -6.208 1.00 0.00 N ATOM 1973 CA LYS B 67 17.253 5.090 -4.974 1.00 0.00 C ATOM 1974 C LYS B 67 17.814 3.695 -4.733 1.00 0.00 C ATOM 1975 O LYS B 67 18.909 3.535 -4.191 1.00 0.00 O ATOM 1976 CB LYS B 67 16.397 5.505 -3.773 1.00 0.00 C ATOM 1977 CG LYS B 67 15.947 6.958 -3.789 1.00 0.00 C ATOM 1978 CD LYS B 67 17.121 7.916 -3.656 1.00 0.00 C ATOM 1979 CE LYS B 67 16.643 9.350 -3.489 1.00 0.00 C ATOM 1980 NZ LYS B 67 17.774 10.301 -3.330 1.00 0.00 N ATOM 0 H LYS B 67 15.477 5.314 -6.071 1.00 0.00 H new ATOM 0 HA LYS B 67 18.074 5.798 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.515 4.866 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.963 5.324 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.414 7.163 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS B 67 15.244 7.130 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.731 7.631 -2.799 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.756 7.842 -4.539 1.00 0.00 H new ATOM 0 HE2 LYS B 67 16.048 9.637 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS B 67 15.990 9.415 -2.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 17.403 11.266 -3.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 18.328 10.044 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 18.384 10.259 -4.171 1.00 0.00 H new ATOM 1994 N GLY B 68 17.047 2.689 -5.131 1.00 0.00 N ATOM 1995 CA GLY B 68 17.485 1.321 -4.988 1.00 0.00 C ATOM 1996 C GLY B 68 16.626 0.536 -4.021 1.00 0.00 C ATOM 1997 O GLY B 68 17.035 -0.517 -3.543 1.00 0.00 O ATOM 0 H GLY B 68 16.125 2.800 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.468 0.833 -5.963 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.519 1.308 -4.644 1.00 0.00 H new ATOM 2001 N GLY B 69 15.436 1.046 -3.732 1.00 0.00 N ATOM 2002 CA GLY B 69 14.529 0.361 -2.832 1.00 0.00 C ATOM 2003 C GLY B 69 13.168 0.173 -3.460 1.00 0.00 C ATOM 2004 O GLY B 69 12.545 1.139 -3.890 1.00 0.00 O ATOM 0 H GLY B 69 15.082 1.926 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.945 -0.610 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY B 69 14.430 0.932 -1.909 1.00 0.00 H new ATOM 2008 N LYS B 70 12.699 -1.063 -3.516 1.00 0.00 N ATOM 2009 CA LYS B 70 11.467 -1.363 -4.233 1.00 0.00 C ATOM 2010 C LYS B 70 10.261 -1.414 -3.301 1.00 0.00 C ATOM 2011 O LYS B 70 9.171 -1.833 -3.701 1.00 0.00 O ATOM 2012 CB LYS B 70 11.609 -2.674 -5.002 1.00 0.00 C ATOM 2013 CG LYS B 70 12.778 -2.663 -5.971 1.00 0.00 C ATOM 2014 CD LYS B 70 12.629 -3.724 -7.045 1.00 0.00 C ATOM 2015 CE LYS B 70 13.727 -3.608 -8.089 1.00 0.00 C ATOM 2016 NZ LYS B 70 13.837 -2.228 -8.634 1.00 0.00 N ATOM 0 H LYS B 70 13.146 -1.869 -3.079 1.00 0.00 H new ATOM 0 HA LYS B 70 11.292 -0.553 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.737 -3.493 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS B 70 10.688 -2.869 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.854 -1.681 -6.438 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.706 -2.828 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS B 70 12.660 -4.714 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS B 70 11.655 -3.625 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS B 70 14.680 -3.900 -7.647 1.00 0.00 H new ATOM 0 HE3 LYS B 70 13.527 -4.304 -8.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 14.193 -2.268 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 12.901 -1.776 -8.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 14.494 -1.675 -8.048 1.00 0.00 H new ATOM 2030 N TYR B 71 10.451 -0.975 -2.068 1.00 0.00 N ATOM 2031 CA TYR B 71 9.360 -0.883 -1.113 1.00 0.00 C ATOM 2032 C TYR B 71 9.321 0.526 -0.538 1.00 0.00 C ATOM 2033 O TYR B 71 10.361 1.091 -0.211 1.00 0.00 O ATOM 2034 CB TYR B 71 9.536 -1.899 0.022 1.00 0.00 C ATOM 2035 CG TYR B 71 9.808 -3.314 -0.444 1.00 0.00 C ATOM 2036 CD1 TYR B 71 8.782 -4.125 -0.913 1.00 0.00 C ATOM 2037 CD2 TYR B 71 11.095 -3.837 -0.412 1.00 0.00 C ATOM 2038 CE1 TYR B 71 9.033 -5.418 -1.337 1.00 0.00 C ATOM 2039 CE2 TYR B 71 11.354 -5.127 -0.833 1.00 0.00 C ATOM 2040 CZ TYR B 71 10.320 -5.914 -1.295 1.00 0.00 C ATOM 2041 OH TYR B 71 10.572 -7.199 -1.717 1.00 0.00 O ATOM 0 H TYR B 71 11.355 -0.675 -1.704 1.00 0.00 H new ATOM 0 HA TYR B 71 8.424 -1.105 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR B 71 10.358 -1.575 0.660 1.00 0.00 H new ATOM 0 HB3 TYR B 71 8.636 -1.898 0.637 1.00 0.00 H new ATOM 0 HD1 TYR B 71 7.773 -3.740 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR B 71 11.908 -3.224 -0.051 1.00 0.00 H new ATOM 0 HE1 TYR B 71 8.225 -6.036 -1.699 1.00 0.00 H new ATOM 0 HE2 TYR B 71 12.361 -5.517 -0.801 1.00 0.00 H new ATOM 0 HH TYR B 71 11.528 -7.392 -1.624 1.00 0.00 H new ATOM 2051 N TYR B 72 8.142 1.108 -0.433 1.00 0.00 N ATOM 2052 CA TYR B 72 8.021 2.431 0.160 1.00 0.00 C ATOM 2053 C TYR B 72 6.730 2.555 0.950 1.00 0.00 C ATOM 2054 O TYR B 72 5.821 1.739 0.812 1.00 0.00 O ATOM 2055 CB TYR B 72 8.107 3.535 -0.908 1.00 0.00 C ATOM 2056 CG TYR B 72 7.085 3.432 -2.022 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.773 3.855 -1.841 1.00 0.00 C ATOM 2058 CD2 TYR B 72 7.440 2.921 -3.262 1.00 0.00 C ATOM 2059 CE1 TYR B 72 4.847 3.765 -2.863 1.00 0.00 C ATOM 2060 CE2 TYR B 72 6.521 2.831 -4.287 1.00 0.00 C ATOM 2061 CZ TYR B 72 5.226 3.253 -4.084 1.00 0.00 C ATOM 2062 OH TYR B 72 4.309 3.163 -5.107 1.00 0.00 O ATOM 0 H TYR B 72 7.263 0.695 -0.745 1.00 0.00 H new ATOM 0 HA TYR B 72 8.859 2.561 0.845 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.992 4.502 -0.419 1.00 0.00 H new ATOM 0 HB3 TYR B 72 9.104 3.517 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR B 72 5.473 4.261 -0.886 1.00 0.00 H new ATOM 0 HD2 TYR B 72 8.454 2.588 -3.428 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.831 4.095 -2.705 1.00 0.00 H new ATOM 0 HE2 TYR B 72 6.816 2.431 -5.246 1.00 0.00 H new ATOM 0 HH TYR B 72 4.740 2.781 -5.900 1.00 0.00 H new ATOM 2072 N HIS B 73 6.668 3.570 1.792 1.00 0.00 N ATOM 2073 CA HIS B 73 5.465 3.867 2.550 1.00 0.00 C ATOM 2074 C HIS B 73 5.262 5.369 2.618 1.00 0.00 C ATOM 2075 O HIS B 73 6.133 6.092 3.102 1.00 0.00 O ATOM 2076 CB HIS B 73 5.555 3.288 3.969 1.00 0.00 C ATOM 2077 CG HIS B 73 4.329 3.539 4.800 1.00 0.00 C ATOM 2078 ND1 HIS B 73 3.284 2.651 4.881 1.00 0.00 N ATOM 2079 CD2 HIS B 73 3.981 4.593 5.575 1.00 0.00 C ATOM 2080 CE1 HIS B 73 2.347 3.148 5.666 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.742 4.326 6.102 1.00 0.00 N ATOM 0 H HIS B 73 7.444 4.208 1.970 1.00 0.00 H new ATOM 0 HA HIS B 73 4.616 3.406 2.045 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.726 2.213 3.904 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.420 3.718 4.474 1.00 0.00 H new ATOM 0 HD1 HIS B 73 3.239 1.748 4.408 1.00 0.00 H new ATOM 0 HD2 HIS B 73 4.570 5.481 5.747 1.00 0.00 H new ATOM 0 HE1 HIS B 73 1.411 2.668 5.910 1.00 0.00 H new ATOM 2090 N ILE B 74 4.122 5.836 2.131 1.00 0.00 N ATOM 2091 CA ILE B 74 3.799 7.252 2.198 1.00 0.00 C ATOM 2092 C ILE B 74 3.460 7.623 3.631 1.00 0.00 C ATOM 2093 O ILE B 74 2.417 7.227 4.151 1.00 0.00 O ATOM 2094 CB ILE B 74 2.605 7.623 1.297 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.728 6.963 -0.076 1.00 0.00 C ATOM 2096 CG2 ILE B 74 2.524 9.135 1.146 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.521 7.192 -0.960 1.00 0.00 C ATOM 0 H ILE B 74 3.409 5.258 1.687 1.00 0.00 H new ATOM 0 HA ILE B 74 4.672 7.802 1.846 1.00 0.00 H new ATOM 0 HB ILE B 74 1.692 7.258 1.767 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.616 7.347 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.875 5.891 0.056 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.678 9.392 0.508 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.391 9.592 2.127 1.00 0.00 H new ATOM 0 HG23 ILE B 74 3.445 9.505 0.695 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.673 6.697 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.634 6.783 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE B 74 1.386 8.262 -1.121 1.00 0.00 H new ATOM 2109 N ILE B 75 4.344 8.361 4.273 1.00 0.00 N ATOM 2110 CA ILE B 75 4.154 8.718 5.666 1.00 0.00 C ATOM 2111 C ILE B 75 3.559 10.113 5.797 1.00 0.00 C ATOM 2112 O ILE B 75 3.167 10.531 6.887 1.00 0.00 O ATOM 2113 CB ILE B 75 5.472 8.632 6.460 1.00 0.00 C ATOM 2114 CG1 ILE B 75 6.530 9.562 5.855 1.00 0.00 C ATOM 2115 CG2 ILE B 75 5.966 7.191 6.481 1.00 0.00 C ATOM 2116 CD1 ILE B 75 7.813 9.629 6.654 1.00 0.00 C ATOM 0 H ILE B 75 5.200 8.725 3.854 1.00 0.00 H new ATOM 0 HA ILE B 75 3.455 7.996 6.088 1.00 0.00 H new ATOM 0 HB ILE B 75 5.290 8.956 7.485 1.00 0.00 H new ATOM 0 HG12 ILE B 75 6.760 9.226 4.844 1.00 0.00 H new ATOM 0 HG13 ILE B 75 6.113 10.565 5.771 1.00 0.00 H new ATOM 0 HG21 ILE B 75 6.898 7.134 7.043 1.00 0.00 H new ATOM 0 HG22 ILE B 75 5.217 6.556 6.955 1.00 0.00 H new ATOM 0 HG23 ILE B 75 6.137 6.850 5.460 1.00 0.00 H new ATOM 0 HD11 ILE B 75 8.512 10.306 6.164 1.00 0.00 H new ATOM 0 HD12 ILE B 75 7.598 9.994 7.658 1.00 0.00 H new ATOM 0 HD13 ILE B 75 8.255 8.635 6.717 1.00 0.00 H new ATOM 2128 N ALA B 76 3.493 10.828 4.681 1.00 0.00 N ATOM 2129 CA ALA B 76 2.878 12.145 4.659 1.00 0.00 C ATOM 2130 C ALA B 76 2.401 12.508 3.258 1.00 0.00 C ATOM 2131 O ALA B 76 3.159 13.053 2.459 1.00 0.00 O ATOM 2132 CB ALA B 76 3.844 13.200 5.180 1.00 0.00 C ATOM 0 H ALA B 76 3.858 10.517 3.781 1.00 0.00 H new ATOM 0 HA ALA B 76 2.008 12.116 5.315 1.00 0.00 H new ATOM 0 HB1 ALA B 76 3.363 14.178 5.155 1.00 0.00 H new ATOM 0 HB2 ALA B 76 4.126 12.961 6.205 1.00 0.00 H new ATOM 0 HB3 ALA B 76 4.736 13.218 4.553 1.00 0.00 H new ATOM 2138 N ALA B 77 1.158 12.165 2.954 1.00 0.00 N ATOM 2139 CA ALA B 77 0.534 12.585 1.707 1.00 0.00 C ATOM 2140 C ALA B 77 -0.353 13.791 1.971 1.00 0.00 C ATOM 2141 O ALA B 77 -1.549 13.654 2.232 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.270 11.453 1.086 1.00 0.00 C ATOM 0 H ALA B 77 0.561 11.596 3.554 1.00 0.00 H new ATOM 0 HA ALA B 77 1.315 12.858 0.997 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.724 11.796 0.156 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.389 10.610 0.878 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.052 11.140 1.778 1.00 0.00 H new ATOM 2148 N ARG B 78 0.243 14.969 1.919 1.00 0.00 N ATOM 2149 CA ARG B 78 -0.436 16.176 2.349 1.00 0.00 C ATOM 2150 C ARG B 78 -0.796 17.053 1.164 1.00 0.00 C ATOM 2151 O ARG B 78 -0.154 17.005 0.112 1.00 0.00 O ATOM 2152 CB ARG B 78 0.441 16.963 3.321 1.00 0.00 C ATOM 2153 CG ARG B 78 1.055 16.108 4.413 1.00 0.00 C ATOM 2154 CD ARG B 78 1.831 16.953 5.404 1.00 0.00 C ATOM 2155 NE ARG B 78 0.959 17.596 6.385 1.00 0.00 N ATOM 2156 CZ ARG B 78 1.166 18.818 6.875 1.00 0.00 C ATOM 2157 NH1 ARG B 78 2.142 19.577 6.390 1.00 0.00 N ATOM 2158 NH2 ARG B 78 0.381 19.293 7.836 1.00 0.00 N ATOM 0 H ARG B 78 1.195 15.114 1.583 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.356 15.878 2.853 1.00 0.00 H new ATOM 0 HB2 ARG B 78 1.239 17.453 2.763 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -0.156 17.751 3.780 1.00 0.00 H new ATOM 0 HG2 ARG B 78 0.269 15.561 4.935 1.00 0.00 H new ATOM 0 HG3 ARG B 78 1.718 15.366 3.967 1.00 0.00 H new ATOM 0 HD2 ARG B 78 2.558 16.327 5.922 1.00 0.00 H new ATOM 0 HD3 ARG B 78 2.394 17.716 4.866 1.00 0.00 H new ATOM 0 HE ARG B 78 0.144 17.079 6.714 1.00 0.00 H new ATOM 0 HH11 ARG B 78 2.737 19.225 5.640 1.00 0.00 H new ATOM 0 HH12 ARG B 78 2.297 20.512 6.768 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -0.382 18.722 8.200 1.00 0.00 H new ATOM 0 HH22 ARG B 78 0.541 20.228 8.210 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.820 17.863 1.353 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.286 18.758 0.317 1.00 0.00 C ATOM 2174 C GLU B 79 -1.846 20.179 0.642 1.00 0.00 C ATOM 2175 O GLU B 79 -2.297 20.779 1.618 1.00 0.00 O ATOM 2176 CB GLU B 79 -3.806 18.658 0.185 1.00 0.00 C ATOM 2177 CG GLU B 79 -4.365 19.348 -1.045 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.760 18.865 -1.379 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -6.722 19.299 -0.715 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -5.900 18.029 -2.298 1.00 0.00 O ATOM 0 H GLU B 79 -2.348 17.918 2.224 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.851 18.475 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -4.090 17.606 0.159 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.267 19.091 1.073 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -4.384 20.425 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.705 19.167 -1.894 1.00 0.00 H new ATOM 2187 N HIS B 80 -0.954 20.698 -0.179 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.306 21.976 0.075 1.00 0.00 C ATOM 2189 C HIS B 80 -1.024 23.085 -0.693 1.00 0.00 C ATOM 2190 O HIS B 80 -0.395 23.955 -1.294 1.00 0.00 O ATOM 2191 CB HIS B 80 1.163 21.857 -0.355 1.00 0.00 C ATOM 2192 CG HIS B 80 2.069 22.972 0.081 1.00 0.00 C ATOM 2193 ND1 HIS B 80 3.408 23.000 -0.243 1.00 0.00 N ATOM 2194 CD2 HIS B 80 1.839 24.090 0.811 1.00 0.00 C ATOM 2195 CE1 HIS B 80 3.961 24.082 0.266 1.00 0.00 C ATOM 2196 NE2 HIS B 80 3.032 24.765 0.909 1.00 0.00 N ATOM 0 H HIS B 80 -0.656 20.247 -1.044 1.00 0.00 H new ATOM 0 HA HIS B 80 -0.352 22.230 1.134 1.00 0.00 H new ATOM 0 HB2 HIS B 80 1.560 20.920 0.034 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.198 21.791 -1.442 1.00 0.00 H new ATOM 0 HD1 HIS B 80 3.896 22.292 -0.792 1.00 0.00 H new ATOM 0 HD2 HIS B 80 0.894 24.394 1.237 1.00 0.00 H new ATOM 0 HE1 HIS B 80 5.000 24.363 0.173 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.350 23.041 -0.665 1.00 0.00 N ATOM 2206 CA GLY B 81 -3.143 24.017 -1.383 1.00 0.00 C ATOM 2207 C GLY B 81 -3.120 23.752 -2.874 1.00 0.00 C ATOM 2208 O GLY B 81 -3.665 22.748 -3.333 1.00 0.00 O ATOM 0 H GLY B 81 -2.891 22.343 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -4.171 23.990 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -2.761 25.018 -1.183 1.00 0.00 H new ATOM 2212 N PRO B 82 -2.493 24.643 -3.655 1.00 0.00 N ATOM 2213 CA PRO B 82 -2.274 24.423 -5.082 1.00 0.00 C ATOM 2214 C PRO B 82 -1.159 23.410 -5.328 1.00 0.00 C ATOM 2215 O PRO B 82 -1.038 22.862 -6.421 1.00 0.00 O ATOM 2216 CB PRO B 82 -1.864 25.808 -5.614 1.00 0.00 C ATOM 2217 CG PRO B 82 -2.080 26.760 -4.484 1.00 0.00 C ATOM 2218 CD PRO B 82 -1.978 25.947 -3.227 1.00 0.00 C ATOM 0 HA PRO B 82 -3.159 24.019 -5.574 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -0.822 25.811 -5.934 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -2.464 26.087 -6.480 1.00 0.00 H new ATOM 0 HG2 PRO B 82 -1.333 27.554 -4.496 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -3.056 27.239 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -0.951 25.881 -2.868 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -2.572 26.373 -2.418 1.00 0.00 H new ATOM 2226 N ASN B 83 -0.354 23.163 -4.299 1.00 0.00 N ATOM 2227 CA ASN B 83 0.761 22.225 -4.398 1.00 0.00 C ATOM 2228 C ASN B 83 0.395 20.895 -3.750 1.00 0.00 C ATOM 2229 O ASN B 83 -0.613 20.790 -3.049 1.00 0.00 O ATOM 2230 CB ASN B 83 2.019 22.782 -3.718 1.00 0.00 C ATOM 2231 CG ASN B 83 2.618 23.988 -4.423 1.00 0.00 C ATOM 2232 OD1 ASN B 83 1.914 24.785 -5.040 1.00 0.00 O ATOM 2233 ND2 ASN B 83 3.931 24.125 -4.336 1.00 0.00 N ATOM 0 H ASN B 83 -0.453 23.601 -3.383 1.00 0.00 H new ATOM 0 HA ASN B 83 0.969 22.075 -5.457 1.00 0.00 H new ATOM 0 HB2 ASN B 83 1.774 23.058 -2.692 1.00 0.00 H new ATOM 0 HB3 ASN B 83 2.770 21.994 -3.665 1.00 0.00 H new ATOM 0 HD21 ASN B 83 4.393 24.913 -4.790 1.00 0.00 H new ATOM 0 HD22 ASN B 83 4.482 23.443 -3.815 1.00 0.00 H new ATOM 2240 N PHE B 84 1.221 19.885 -3.976 1.00 0.00 N ATOM 2241 CA PHE B 84 1.005 18.575 -3.383 1.00 0.00 C ATOM 2242 C PHE B 84 2.318 18.019 -2.834 1.00 0.00 C ATOM 2243 O PHE B 84 3.350 18.074 -3.506 1.00 0.00 O ATOM 2244 CB PHE B 84 0.405 17.620 -4.417 1.00 0.00 C ATOM 2245 CG PHE B 84 0.085 16.260 -3.860 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -0.972 16.089 -2.980 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.846 15.156 -4.212 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.265 14.842 -2.463 1.00 0.00 C ATOM 2249 CE2 PHE B 84 0.556 13.907 -3.696 1.00 0.00 C ATOM 2250 CZ PHE B 84 -0.501 13.750 -2.821 1.00 0.00 C ATOM 0 H PHE B 84 2.049 19.948 -4.568 1.00 0.00 H new ATOM 0 HA PHE B 84 0.302 18.674 -2.556 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.505 18.061 -4.823 1.00 0.00 H new ATOM 0 HB3 PHE B 84 1.103 17.509 -5.247 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -1.573 16.940 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.674 15.273 -4.896 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.092 14.722 -1.779 1.00 0.00 H new ATOM 0 HE2 PHE B 84 1.156 13.054 -3.977 1.00 0.00 H new ATOM 0 HZ PHE B 84 -0.729 12.774 -2.418 1.00 0.00 H new ATOM 2260 N GLU B 85 2.268 17.487 -1.617 1.00 0.00 N ATOM 2261 CA GLU B 85 3.462 16.977 -0.948 1.00 0.00 C ATOM 2262 C GLU B 85 3.279 15.508 -0.591 1.00 0.00 C ATOM 2263 O GLU B 85 2.417 15.164 0.222 1.00 0.00 O ATOM 2264 CB GLU B 85 3.733 17.767 0.337 1.00 0.00 C ATOM 2265 CG GLU B 85 3.568 19.271 0.198 1.00 0.00 C ATOM 2266 CD GLU B 85 4.625 19.919 -0.667 1.00 0.00 C ATOM 2267 OE1 GLU B 85 5.820 19.616 -0.485 1.00 0.00 O ATOM 2268 OE2 GLU B 85 4.267 20.773 -1.504 1.00 0.00 O ATOM 0 H GLU B 85 1.411 17.397 -1.072 1.00 0.00 H new ATOM 0 HA GLU B 85 4.305 17.088 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU B 85 3.059 17.411 1.116 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.748 17.555 0.672 1.00 0.00 H new ATOM 0 HG2 GLU B 85 2.585 19.483 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU B 85 3.594 19.724 1.189 1.00 0.00 H new ATOM 2275 N ALA B 86 4.076 14.642 -1.192 1.00 0.00 N ATOM 2276 CA ALA B 86 4.024 13.224 -0.880 1.00 0.00 C ATOM 2277 C ALA B 86 5.363 12.743 -0.337 1.00 0.00 C ATOM 2278 O ALA B 86 6.319 12.548 -1.088 1.00 0.00 O ATOM 2279 CB ALA B 86 3.622 12.419 -2.108 1.00 0.00 C ATOM 0 H ALA B 86 4.767 14.895 -1.899 1.00 0.00 H new ATOM 0 HA ALA B 86 3.269 13.072 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.589 11.360 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.638 12.742 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA B 86 4.351 12.579 -2.902 1.00 0.00 H new ATOM 2285 N VAL B 87 5.429 12.564 0.971 1.00 0.00 N ATOM 2286 CA VAL B 87 6.645 12.101 1.621 1.00 0.00 C ATOM 2287 C VAL B 87 6.553 10.607 1.904 1.00 0.00 C ATOM 2288 O VAL B 87 5.605 10.142 2.545 1.00 0.00 O ATOM 2289 CB VAL B 87 6.903 12.854 2.944 1.00 0.00 C ATOM 2290 CG1 VAL B 87 8.232 12.430 3.558 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.870 14.360 2.724 1.00 0.00 C ATOM 0 H VAL B 87 4.650 12.733 1.608 1.00 0.00 H new ATOM 0 HA VAL B 87 7.475 12.300 0.943 1.00 0.00 H new ATOM 0 HB VAL B 87 6.107 12.594 3.641 1.00 0.00 H new ATOM 0 HG11 VAL B 87 8.392 12.973 4.489 1.00 0.00 H new ATOM 0 HG12 VAL B 87 8.214 11.359 3.761 1.00 0.00 H new ATOM 0 HG13 VAL B 87 9.042 12.654 2.863 1.00 0.00 H new ATOM 0 HG21 VAL B 87 7.054 14.870 3.670 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.640 14.640 2.005 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.892 14.650 2.340 1.00 0.00 H new ATOM 2301 N ALA B 88 7.534 9.858 1.425 1.00 0.00 N ATOM 2302 CA ALA B 88 7.553 8.416 1.603 1.00 0.00 C ATOM 2303 C ALA B 88 8.955 7.937 1.951 1.00 0.00 C ATOM 2304 O ALA B 88 9.942 8.508 1.497 1.00 0.00 O ATOM 2305 CB ALA B 88 7.054 7.724 0.342 1.00 0.00 C ATOM 0 H ALA B 88 8.331 10.228 0.907 1.00 0.00 H new ATOM 0 HA ALA B 88 6.889 8.161 2.429 1.00 0.00 H new ATOM 0 HB1 ALA B 88 7.073 6.644 0.488 1.00 0.00 H new ATOM 0 HB2 ALA B 88 6.034 8.044 0.131 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.698 7.988 -0.497 1.00 0.00 H new ATOM 2311 N GLU B 89 9.048 6.897 2.760 1.00 0.00 N ATOM 2312 CA GLU B 89 10.344 6.341 3.108 1.00 0.00 C ATOM 2313 C GLU B 89 10.607 5.076 2.310 1.00 0.00 C ATOM 2314 O GLU B 89 9.682 4.324 1.997 1.00 0.00 O ATOM 2315 CB GLU B 89 10.444 6.064 4.606 1.00 0.00 C ATOM 2316 CG GLU B 89 10.312 7.318 5.451 1.00 0.00 C ATOM 2317 CD GLU B 89 10.952 7.176 6.812 1.00 0.00 C ATOM 2318 OE1 GLU B 89 12.156 7.488 6.936 1.00 0.00 O ATOM 2319 OE2 GLU B 89 10.265 6.765 7.764 1.00 0.00 O ATOM 0 H GLU B 89 8.251 6.424 3.185 1.00 0.00 H new ATOM 0 HA GLU B 89 11.106 7.078 2.856 1.00 0.00 H new ATOM 0 HB2 GLU B 89 9.666 5.356 4.892 1.00 0.00 H new ATOM 0 HB3 GLU B 89 11.401 5.588 4.819 1.00 0.00 H new ATOM 0 HG2 GLU B 89 10.770 8.155 4.925 1.00 0.00 H new ATOM 0 HG3 GLU B 89 9.256 7.558 5.574 1.00 0.00 H new ATOM 2326 N VAL B 90 11.871 4.857 1.981 1.00 0.00 N ATOM 2327 CA VAL B 90 12.265 3.757 1.115 1.00 0.00 C ATOM 2328 C VAL B 90 12.798 2.581 1.920 1.00 0.00 C ATOM 2329 O VAL B 90 13.713 2.729 2.734 1.00 0.00 O ATOM 2330 CB VAL B 90 13.344 4.203 0.102 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.785 3.042 -0.779 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.835 5.356 -0.749 1.00 0.00 C ATOM 0 H VAL B 90 12.648 5.433 2.305 1.00 0.00 H new ATOM 0 HA VAL B 90 11.371 3.444 0.575 1.00 0.00 H new ATOM 0 HB VAL B 90 14.212 4.545 0.666 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.544 3.386 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL B 90 14.200 2.249 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.927 2.658 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.609 5.656 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.947 5.040 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.584 6.200 -0.106 1.00 0.00 H new ATOM 2342 N TYR B 91 12.214 1.423 1.684 1.00 0.00 N ATOM 2343 CA TYR B 91 12.672 0.180 2.270 1.00 0.00 C ATOM 2344 C TYR B 91 13.055 -0.782 1.156 1.00 0.00 C ATOM 2345 O TYR B 91 12.514 -0.709 0.053 1.00 0.00 O ATOM 2346 CB TYR B 91 11.582 -0.438 3.154 1.00 0.00 C ATOM 2347 CG TYR B 91 11.350 0.302 4.454 1.00 0.00 C ATOM 2348 CD1 TYR B 91 10.551 1.439 4.506 1.00 0.00 C ATOM 2349 CD2 TYR B 91 11.935 -0.141 5.633 1.00 0.00 C ATOM 2350 CE1 TYR B 91 10.346 2.113 5.697 1.00 0.00 C ATOM 2351 CE2 TYR B 91 11.733 0.525 6.825 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.940 1.650 6.852 1.00 0.00 C ATOM 2353 OH TYR B 91 10.742 2.315 8.042 1.00 0.00 O ATOM 0 H TYR B 91 11.402 1.318 1.075 1.00 0.00 H new ATOM 0 HA TYR B 91 13.540 0.379 2.898 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.648 -0.468 2.593 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.852 -1.470 3.378 1.00 0.00 H new ATOM 0 HD1 TYR B 91 10.083 1.802 3.603 1.00 0.00 H new ATOM 0 HD2 TYR B 91 12.559 -1.022 5.617 1.00 0.00 H new ATOM 0 HE1 TYR B 91 9.725 2.996 5.722 1.00 0.00 H new ATOM 0 HE2 TYR B 91 12.195 0.165 7.732 1.00 0.00 H new ATOM 0 HH TYR B 91 11.230 1.857 8.758 1.00 0.00 H new ATOM 2363 N ASN B 92 14.000 -1.661 1.420 1.00 0.00 N ATOM 2364 CA ASN B 92 14.433 -2.609 0.409 1.00 0.00 C ATOM 2365 C ASN B 92 14.803 -3.945 1.039 1.00 0.00 C ATOM 2366 O ASN B 92 14.839 -4.079 2.267 1.00 0.00 O ATOM 2367 CB ASN B 92 15.625 -2.034 -0.363 1.00 0.00 C ATOM 2368 CG ASN B 92 16.000 -2.849 -1.586 1.00 0.00 C ATOM 2369 OD1 ASN B 92 15.148 -3.479 -2.217 1.00 0.00 O ATOM 2370 ND2 ASN B 92 17.277 -2.839 -1.928 1.00 0.00 N ATOM 0 H ASN B 92 14.480 -1.740 2.316 1.00 0.00 H new ATOM 0 HA ASN B 92 13.608 -2.781 -0.283 1.00 0.00 H new ATOM 0 HB2 ASN B 92 15.391 -1.015 -0.672 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.486 -1.975 0.303 1.00 0.00 H new ATOM 0 HD21 ASN B 92 17.591 -3.367 -2.743 1.00 0.00 H new ATOM 0 HD22 ASN B 92 17.948 -2.304 -1.377 1.00 0.00 H new ATOM 2377 N ASP B 93 15.046 -4.930 0.186 1.00 0.00 N ATOM 2378 CA ASP B 93 15.528 -6.233 0.614 1.00 0.00 C ATOM 2379 C ASP B 93 16.927 -6.095 1.209 1.00 0.00 C ATOM 2380 O ASP B 93 17.656 -5.156 0.879 1.00 0.00 O ATOM 2381 CB ASP B 93 15.547 -7.192 -0.583 1.00 0.00 C ATOM 2382 CG ASP B 93 15.995 -8.592 -0.216 1.00 0.00 C ATOM 2383 OD1 ASP B 93 15.144 -9.394 0.223 1.00 0.00 O ATOM 2384 OD2 ASP B 93 17.198 -8.895 -0.361 1.00 0.00 O ATOM 0 H ASP B 93 14.914 -4.847 -0.822 1.00 0.00 H new ATOM 0 HA ASP B 93 14.862 -6.636 1.377 1.00 0.00 H new ATOM 0 HB2 ASP B 93 14.549 -7.239 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP B 93 16.212 -6.794 -1.350 1.00 0.00 H new ATOM 2389 N ALA B 94 17.308 -7.031 2.067 1.00 0.00 N ATOM 2390 CA ALA B 94 18.600 -6.980 2.748 1.00 0.00 C ATOM 2391 C ALA B 94 19.752 -7.380 1.820 1.00 0.00 C ATOM 2392 O ALA B 94 20.774 -7.896 2.274 1.00 0.00 O ATOM 2393 CB ALA B 94 18.573 -7.880 3.973 1.00 0.00 C ATOM 0 H ALA B 94 16.738 -7.841 2.311 1.00 0.00 H new ATOM 0 HA ALA B 94 18.774 -5.949 3.057 1.00 0.00 H new ATOM 0 HB1 ALA B 94 19.539 -7.838 4.477 1.00 0.00 H new ATOM 0 HB2 ALA B 94 17.793 -7.542 4.655 1.00 0.00 H new ATOM 0 HB3 ALA B 94 18.368 -8.906 3.666 1.00 0.00 H new