USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 51 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.8) USER MOD Set 1.2: A 55 SER OG : rot -149:sc= 1.39! USER MOD Set 1.3: A 86 THR OG1 : rot -110:sc= 1.62 USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Set 2.2: A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -131:sc= -0.181 (180deg=-1.49!) USER MOD Single : A 5 GLN : amide:sc= -1.67 K(o=-1.7,f=-3.2!) USER MOD Single : A 11 THR OG1 : rot 64:sc= 0.00393! USER MOD Single : A 13 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.3) USER MOD Single : A 15 ASN : amide:sc= -6.33! C(o=-6.3!,f=-10!) USER MOD Single : A 19 SER OG : rot -20:sc= 0.825! USER MOD Single : A 20 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.011) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -17:sc= -0.0365 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0264) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.13) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -155:sc= 0.818 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0887 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 22:sc= 0.00222 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.865 K(o=-0.87,f=-6.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 71 MET CE :methyl -162:sc= -0.48 (180deg=-1.37!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -12.2! C(o=-12!,f=-19!) USER MOD Single : A 80 THR OG1 : rot 160:sc= -1.11 USER MOD Single : A 83 HIS : no HD1:sc= -3.8 K(o=-3.8,f=-5.6!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.449 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -1.96! C(o=-2!,f=-5.8!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -76:sc= -0.0961! USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot -160:sc= 1.18 USER MOD Single : A1052 NAG O6 : rot 180:sc= 0.995 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot 180:sc=-0.00989 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.384 24.438 -3.041 1.00 0.00 N ATOM 2 CA ALA A 1 5.913 24.644 -3.037 1.00 0.00 C ATOM 3 C ALA A 1 5.307 24.269 -1.689 1.00 0.00 C ATOM 4 O ALA A 1 4.643 23.241 -1.559 1.00 0.00 O ATOM 5 CB ALA A 1 5.263 23.833 -4.149 1.00 0.00 C ATOM 0 H1 ALA A 1 7.853 25.288 -3.414 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.712 24.259 -2.070 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.619 23.622 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 1 5.722 25.703 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.185 23.994 -4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.664 24.149 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.474 22.774 -3.998 1.00 0.00 H new ATOM 13 N PRO A 2 5.529 25.108 -0.666 1.00 0.00 N ATOM 14 CA PRO A 2 5.002 24.872 0.681 1.00 0.00 C ATOM 15 C PRO A 2 3.533 24.456 0.665 1.00 0.00 C ATOM 16 O PRO A 2 2.678 25.185 0.161 1.00 0.00 O ATOM 17 CB PRO A 2 5.167 26.233 1.356 1.00 0.00 C ATOM 18 CG PRO A 2 6.342 26.848 0.677 1.00 0.00 C ATOM 19 CD PRO A 2 6.309 26.356 -0.747 1.00 0.00 C ATOM 0 HA PRO A 2 5.518 24.058 1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.274 26.846 1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.339 26.126 2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.288 27.936 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.271 26.558 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.837 27.081 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.313 26.177 -1.132 1.00 0.00 H new ATOM 27 N ASP A 3 3.245 23.280 1.217 1.00 0.00 N ATOM 28 CA ASP A 3 1.878 22.771 1.262 1.00 0.00 C ATOM 29 C ASP A 3 1.716 21.730 2.364 1.00 0.00 C ATOM 30 O ASP A 3 2.550 21.628 3.263 1.00 0.00 O ATOM 31 CB ASP A 3 1.492 22.163 -0.087 1.00 0.00 C ATOM 32 CG ASP A 3 0.317 22.876 -0.725 1.00 0.00 C ATOM 33 OD1 ASP A 3 0.327 24.124 -0.756 1.00 0.00 O ATOM 34 OD2 ASP A 3 -0.615 22.186 -1.191 1.00 0.00 O ATOM 0 H ASP A 3 3.939 22.663 1.639 1.00 0.00 H new ATOM 0 HA ASP A 3 1.216 23.609 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.348 22.205 -0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.245 21.110 0.049 1.00 0.00 H new ATOM 39 N VAL A 4 0.635 20.960 2.287 1.00 0.00 N ATOM 40 CA VAL A 4 0.362 19.928 3.279 1.00 0.00 C ATOM 41 C VAL A 4 1.378 18.794 3.196 1.00 0.00 C ATOM 42 O VAL A 4 1.371 18.009 2.248 1.00 0.00 O ATOM 43 CB VAL A 4 -1.053 19.342 3.109 1.00 0.00 C ATOM 44 CG1 VAL A 4 -1.234 18.773 1.709 1.00 0.00 C ATOM 45 CG2 VAL A 4 -1.317 18.276 4.162 1.00 0.00 C ATOM 0 H VAL A 4 -0.065 21.032 1.549 1.00 0.00 H new ATOM 0 HA VAL A 4 0.437 20.408 4.255 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.777 20.145 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.240 18.364 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.090 19.564 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.503 17.983 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.321 17.873 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.587 17.474 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.233 18.717 5.155 1.00 0.00 H new ATOM 55 N GLN A 5 2.248 18.712 4.197 1.00 0.00 N ATOM 56 CA GLN A 5 3.266 17.671 4.241 1.00 0.00 C ATOM 57 C GLN A 5 2.883 16.586 5.244 1.00 0.00 C ATOM 58 O GLN A 5 3.681 16.213 6.104 1.00 0.00 O ATOM 59 CB GLN A 5 4.624 18.272 4.609 1.00 0.00 C ATOM 60 CG GLN A 5 5.802 17.542 3.985 1.00 0.00 C ATOM 61 CD GLN A 5 6.382 16.481 4.897 1.00 0.00 C ATOM 62 OE1 GLN A 5 5.750 15.459 5.164 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.594 16.720 5.382 1.00 0.00 N ATOM 0 H GLN A 5 2.268 19.355 4.989 1.00 0.00 H new ATOM 0 HA GLN A 5 3.337 17.219 3.252 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.647 19.316 4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.734 18.262 5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.483 17.078 3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.579 18.264 3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.082 17.581 5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.038 16.043 6.003 1.00 0.00 H new ATOM 72 N ASP A 6 1.654 16.089 5.130 1.00 0.00 N ATOM 73 CA ASP A 6 1.162 15.051 6.032 1.00 0.00 C ATOM 74 C ASP A 6 0.744 13.801 5.259 1.00 0.00 C ATOM 75 O ASP A 6 0.283 13.886 4.121 1.00 0.00 O ATOM 76 CB ASP A 6 -0.017 15.579 6.853 1.00 0.00 C ATOM 77 CG ASP A 6 -0.852 14.465 7.455 1.00 0.00 C ATOM 78 OD1 ASP A 6 -0.282 13.613 8.167 1.00 0.00 O ATOM 79 OD2 ASP A 6 -2.078 14.446 7.214 1.00 0.00 O ATOM 0 H ASP A 6 0.982 16.387 4.423 1.00 0.00 H new ATOM 0 HA ASP A 6 1.974 14.778 6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.358 16.219 7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.649 16.199 6.218 1.00 0.00 H new ATOM 84 N CYS A 7 0.910 12.643 5.892 1.00 0.00 N ATOM 85 CA CYS A 7 0.553 11.368 5.276 1.00 0.00 C ATOM 86 C CYS A 7 0.891 11.356 3.788 1.00 0.00 C ATOM 87 O CYS A 7 0.028 11.601 2.945 1.00 0.00 O ATOM 88 CB CYS A 7 -0.938 11.083 5.470 1.00 0.00 C ATOM 89 SG CYS A 7 -1.319 9.341 5.848 1.00 0.00 S ATOM 0 H CYS A 7 1.291 12.561 6.835 1.00 0.00 H new ATOM 0 HA CYS A 7 1.137 10.588 5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.315 11.710 6.278 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.473 11.373 4.566 1.00 0.00 H new ATOM 94 N PRO A 8 2.156 11.064 3.445 1.00 0.00 N ATOM 95 CA PRO A 8 2.607 11.015 2.052 1.00 0.00 C ATOM 96 C PRO A 8 1.972 9.860 1.285 1.00 0.00 C ATOM 97 O PRO A 8 2.087 8.701 1.685 1.00 0.00 O ATOM 98 CB PRO A 8 4.125 10.809 2.158 1.00 0.00 C ATOM 99 CG PRO A 8 4.471 11.085 3.585 1.00 0.00 C ATOM 100 CD PRO A 8 3.242 10.758 4.383 1.00 0.00 C ATOM 0 HA PRO A 8 2.329 11.918 1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.403 9.793 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.659 11.483 1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.317 10.477 3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.758 12.128 3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.227 9.713 4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.176 11.360 5.289 1.00 0.00 H new ATOM 108 N GLU A 9 1.303 10.183 0.183 1.00 0.00 N ATOM 109 CA GLU A 9 0.649 9.175 -0.639 1.00 0.00 C ATOM 110 C GLU A 9 1.429 7.867 -0.619 1.00 0.00 C ATOM 111 O GLU A 9 2.658 7.860 -0.691 1.00 0.00 O ATOM 112 CB GLU A 9 0.503 9.673 -2.077 1.00 0.00 C ATOM 113 CG GLU A 9 0.282 8.557 -3.084 1.00 0.00 C ATOM 114 CD GLU A 9 -0.402 9.038 -4.348 1.00 0.00 C ATOM 115 OE1 GLU A 9 -0.780 10.227 -4.403 1.00 0.00 O ATOM 116 OE2 GLU A 9 -0.560 8.226 -5.283 1.00 0.00 O ATOM 0 H GLU A 9 1.200 11.138 -0.161 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.342 8.993 -0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.334 10.370 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.399 10.229 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.242 8.111 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.321 7.773 -2.625 1.00 0.00 H new ATOM 123 N CYS A 10 0.703 6.764 -0.515 1.00 0.00 N ATOM 124 CA CYS A 10 1.316 5.440 -0.479 1.00 0.00 C ATOM 125 C CYS A 10 2.070 5.142 -1.772 1.00 0.00 C ATOM 126 O CYS A 10 1.512 5.236 -2.865 1.00 0.00 O ATOM 127 CB CYS A 10 0.250 4.368 -0.242 1.00 0.00 C ATOM 128 SG CYS A 10 0.907 2.670 -0.147 1.00 0.00 S ATOM 0 H CYS A 10 -0.315 6.757 -0.454 1.00 0.00 H new ATOM 0 HA CYS A 10 2.031 5.427 0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.277 4.594 0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.484 4.417 -1.046 1.00 0.00 H new ATOM 133 N THR A 11 3.340 4.771 -1.634 1.00 0.00 N ATOM 134 CA THR A 11 4.177 4.444 -2.781 1.00 0.00 C ATOM 135 C THR A 11 5.462 3.793 -2.317 1.00 0.00 C ATOM 136 O THR A 11 5.592 3.422 -1.155 1.00 0.00 O ATOM 137 CB THR A 11 4.505 5.690 -3.602 1.00 0.00 C ATOM 138 OG1 THR A 11 5.449 5.387 -4.615 1.00 0.00 O ATOM 139 CG2 THR A 11 5.071 6.821 -2.770 1.00 0.00 C ATOM 0 H THR A 11 3.812 4.690 -0.734 1.00 0.00 H new ATOM 0 HA THR A 11 3.621 3.751 -3.413 1.00 0.00 H new ATOM 0 HB THR A 11 3.556 6.014 -4.030 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.057 4.749 -5.247 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.282 7.675 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.347 7.110 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.992 6.493 -2.288 1.00 0.00 H new ATOM 147 N LEU A 12 6.406 3.661 -3.229 1.00 0.00 N ATOM 148 CA LEU A 12 7.685 3.054 -2.912 1.00 0.00 C ATOM 149 C LEU A 12 8.683 4.094 -2.457 1.00 0.00 C ATOM 150 O LEU A 12 8.792 5.169 -3.047 1.00 0.00 O ATOM 151 CB LEU A 12 8.235 2.325 -4.125 1.00 0.00 C ATOM 152 CG LEU A 12 7.515 1.033 -4.472 1.00 0.00 C ATOM 153 CD1 LEU A 12 6.042 1.305 -4.720 1.00 0.00 C ATOM 154 CD2 LEU A 12 8.159 0.400 -5.687 1.00 0.00 C ATOM 0 H LEU A 12 6.311 3.967 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 12 7.525 2.344 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.188 2.993 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.288 2.102 -3.951 1.00 0.00 H new ATOM 0 HG LEU A 12 7.595 0.339 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.536 0.372 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.595 1.733 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.936 2.006 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.640 -0.526 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.096 1.086 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.206 0.184 -5.473 1.00 0.00 H new ATOM 166 N GLN A 13 9.421 3.765 -1.414 1.00 0.00 N ATOM 167 CA GLN A 13 10.422 4.676 -0.897 1.00 0.00 C ATOM 168 C GLN A 13 11.813 4.137 -1.133 1.00 0.00 C ATOM 169 O GLN A 13 12.602 3.967 -0.205 1.00 0.00 O ATOM 170 CB GLN A 13 10.211 4.936 0.573 1.00 0.00 C ATOM 171 CG GLN A 13 9.348 6.156 0.848 1.00 0.00 C ATOM 172 CD GLN A 13 9.363 6.573 2.305 1.00 0.00 C ATOM 173 OE1 GLN A 13 10.277 6.227 3.053 1.00 0.00 O ATOM 174 NE2 GLN A 13 8.345 7.321 2.713 1.00 0.00 N ATOM 0 H GLN A 13 9.347 2.880 -0.912 1.00 0.00 H new ATOM 0 HA GLN A 13 10.317 5.619 -1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.746 4.061 1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.180 5.068 1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.696 6.987 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.322 5.945 0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.610 7.583 2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.298 7.633 3.683 1.00 0.00 H new ATOM 183 N GLU A 14 12.072 3.867 -2.393 1.00 0.00 N ATOM 184 CA GLU A 14 13.349 3.326 -2.854 1.00 0.00 C ATOM 185 C GLU A 14 14.303 3.100 -1.705 1.00 0.00 C ATOM 186 O GLU A 14 14.609 4.006 -0.933 1.00 0.00 O ATOM 187 CB GLU A 14 14.005 4.235 -3.883 1.00 0.00 C ATOM 188 CG GLU A 14 15.328 3.697 -4.409 1.00 0.00 C ATOM 189 CD GLU A 14 16.144 4.760 -5.121 1.00 0.00 C ATOM 190 OE1 GLU A 14 15.707 5.225 -6.194 1.00 0.00 O ATOM 191 OE2 GLU A 14 17.222 5.126 -4.605 1.00 0.00 O ATOM 0 H GLU A 14 11.398 4.016 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 14 13.128 2.367 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.321 4.377 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 14 14.172 5.215 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.908 3.293 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.135 2.872 -5.094 1.00 0.00 H new ATOM 198 N ASN A 15 14.755 1.876 -1.609 1.00 0.00 N ATOM 199 CA ASN A 15 15.664 1.463 -0.562 1.00 0.00 C ATOM 200 C ASN A 15 17.029 2.121 -0.679 1.00 0.00 C ATOM 201 O ASN A 15 17.871 1.687 -1.465 1.00 0.00 O ATOM 202 CB ASN A 15 15.828 -0.049 -0.573 1.00 0.00 C ATOM 203 CG ASN A 15 15.532 -0.664 0.775 1.00 0.00 C ATOM 204 OD1 ASN A 15 16.436 -1.090 1.493 1.00 0.00 O ATOM 205 ND2 ASN A 15 14.257 -0.714 1.122 1.00 0.00 N ATOM 0 H ASN A 15 14.503 1.130 -2.258 1.00 0.00 H new ATOM 0 HA ASN A 15 15.223 1.785 0.381 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.163 -0.480 -1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.846 -0.300 -0.870 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.988 -1.119 2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.543 -0.348 0.493 1.00 0.00 H new ATOM 212 N PRO A 16 17.294 3.145 0.149 1.00 0.00 N ATOM 213 CA PRO A 16 18.588 3.804 0.172 1.00 0.00 C ATOM 214 C PRO A 16 19.553 2.958 0.980 1.00 0.00 C ATOM 215 O PRO A 16 20.703 3.323 1.221 1.00 0.00 O ATOM 216 CB PRO A 16 18.294 5.127 0.871 1.00 0.00 C ATOM 217 CG PRO A 16 17.173 4.813 1.805 1.00 0.00 C ATOM 218 CD PRO A 16 16.382 3.690 1.173 1.00 0.00 C ATOM 0 HA PRO A 16 19.038 3.949 -0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 16 19.168 5.495 1.409 1.00 0.00 H new ATOM 0 HB3 PRO A 16 18.011 5.900 0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 16 17.555 4.515 2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 16 16.544 5.689 1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 16 16.107 2.933 1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.455 4.055 0.729 1.00 0.00 H new ATOM 226 N PHE A 17 19.030 1.808 1.387 1.00 0.00 N ATOM 227 CA PHE A 17 19.757 0.831 2.173 1.00 0.00 C ATOM 228 C PHE A 17 20.369 -0.222 1.260 1.00 0.00 C ATOM 229 O PHE A 17 21.575 -0.468 1.294 1.00 0.00 O ATOM 230 CB PHE A 17 18.796 0.168 3.164 1.00 0.00 C ATOM 231 CG PHE A 17 19.485 -0.628 4.230 1.00 0.00 C ATOM 232 CD1 PHE A 17 20.412 -1.598 3.895 1.00 0.00 C ATOM 233 CD2 PHE A 17 19.209 -0.399 5.567 1.00 0.00 C ATOM 234 CE1 PHE A 17 21.052 -2.327 4.874 1.00 0.00 C ATOM 235 CE2 PHE A 17 19.845 -1.128 6.554 1.00 0.00 C ATOM 236 CZ PHE A 17 20.770 -2.093 6.207 1.00 0.00 C ATOM 0 H PHE A 17 18.073 1.528 1.174 1.00 0.00 H new ATOM 0 HA PHE A 17 20.559 1.328 2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 17 18.186 0.938 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.117 -0.486 2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 17 20.637 -1.786 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.489 0.358 5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 17 21.774 -3.082 4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 17 19.619 -0.944 7.594 1.00 0.00 H new ATOM 0 HZ PHE A 17 21.272 -2.663 6.975 1.00 0.00 H new ATOM 246 N PHE A 18 19.522 -0.838 0.442 1.00 0.00 N ATOM 247 CA PHE A 18 19.965 -1.864 -0.489 1.00 0.00 C ATOM 248 C PHE A 18 20.513 -1.219 -1.757 1.00 0.00 C ATOM 249 O PHE A 18 21.257 -1.841 -2.516 1.00 0.00 O ATOM 250 CB PHE A 18 18.805 -2.801 -0.842 1.00 0.00 C ATOM 251 CG PHE A 18 18.052 -3.331 0.350 1.00 0.00 C ATOM 252 CD1 PHE A 18 18.380 -2.930 1.636 1.00 0.00 C ATOM 253 CD2 PHE A 18 17.013 -4.234 0.181 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.689 -3.420 2.729 1.00 0.00 C ATOM 255 CE2 PHE A 18 16.319 -4.726 1.271 1.00 0.00 C ATOM 256 CZ PHE A 18 16.657 -4.319 2.546 1.00 0.00 C ATOM 0 H PHE A 18 18.522 -0.642 0.407 1.00 0.00 H new ATOM 0 HA PHE A 18 20.755 -2.446 -0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 18 18.108 -2.270 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 18 19.194 -3.643 -1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 18 19.185 -2.226 1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.743 -4.557 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.956 -3.100 3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.512 -5.429 1.125 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.116 -4.703 3.398 1.00 0.00 H new ATOM 266 N SER A 19 20.132 0.037 -1.977 1.00 0.00 N ATOM 267 CA SER A 19 20.568 0.781 -3.148 1.00 0.00 C ATOM 268 C SER A 19 22.004 0.447 -3.509 1.00 0.00 C ATOM 269 O SER A 19 22.937 0.728 -2.757 1.00 0.00 O ATOM 270 CB SER A 19 20.425 2.284 -2.918 1.00 0.00 C ATOM 271 OG SER A 19 21.654 2.861 -2.511 1.00 0.00 O ATOM 0 H SER A 19 19.518 0.561 -1.353 1.00 0.00 H new ATOM 0 HA SER A 19 19.928 0.488 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 19 20.081 2.763 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.665 2.467 -2.158 1.00 0.00 H new ATOM 0 HG SER A 19 22.243 2.161 -2.159 1.00 0.00 H new ATOM 277 N GLN A 20 22.161 -0.148 -4.675 1.00 0.00 N ATOM 278 CA GLN A 20 23.472 -0.531 -5.183 1.00 0.00 C ATOM 279 C GLN A 20 23.682 0.059 -6.573 1.00 0.00 C ATOM 280 O GLN A 20 22.722 0.280 -7.308 1.00 0.00 O ATOM 281 CB GLN A 20 23.600 -2.061 -5.213 1.00 0.00 C ATOM 282 CG GLN A 20 24.441 -2.606 -6.362 1.00 0.00 C ATOM 283 CD GLN A 20 23.668 -3.567 -7.245 1.00 0.00 C ATOM 284 OE1 GLN A 20 23.570 -4.758 -6.948 1.00 0.00 O ATOM 285 NE2 GLN A 20 23.118 -3.055 -8.340 1.00 0.00 N ATOM 0 H GLN A 20 21.388 -0.381 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 20 24.243 -0.137 -4.521 1.00 0.00 H new ATOM 0 HB2 GLN A 20 24.036 -2.394 -4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.602 -2.495 -5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 20 24.805 -1.775 -6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 20 25.317 -3.114 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 20 23.224 -2.062 -8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.589 -3.655 -8.973 1.00 0.00 H new ATOM 294 N PRO A 21 24.943 0.325 -6.948 1.00 0.00 N ATOM 295 CA PRO A 21 25.277 0.895 -8.256 1.00 0.00 C ATOM 296 C PRO A 21 24.519 0.219 -9.393 1.00 0.00 C ATOM 297 O PRO A 21 25.086 -0.576 -10.142 1.00 0.00 O ATOM 298 CB PRO A 21 26.775 0.626 -8.375 1.00 0.00 C ATOM 299 CG PRO A 21 27.269 0.629 -6.970 1.00 0.00 C ATOM 300 CD PRO A 21 26.144 0.088 -6.125 1.00 0.00 C ATOM 0 HA PRO A 21 25.009 1.949 -8.328 1.00 0.00 H new ATOM 0 HB2 PRO A 21 26.969 -0.330 -8.861 1.00 0.00 H new ATOM 0 HB3 PRO A 21 27.270 1.393 -8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 21 28.162 0.012 -6.870 1.00 0.00 H new ATOM 0 HG3 PRO A 21 27.542 1.637 -6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 21 26.279 -0.972 -5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 21 26.080 0.602 -5.166 1.00 0.00 H new ATOM 308 N GLY A 22 23.235 0.538 -9.513 1.00 0.00 N ATOM 309 CA GLY A 22 22.418 -0.049 -10.557 1.00 0.00 C ATOM 310 C GLY A 22 21.205 -0.772 -10.008 1.00 0.00 C ATOM 311 O GLY A 22 20.559 -1.540 -10.722 1.00 0.00 O ATOM 0 H GLY A 22 22.745 1.194 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 22 22.091 0.734 -11.241 1.00 0.00 H new ATOM 0 HA3 GLY A 22 23.022 -0.747 -11.137 1.00 0.00 H new ATOM 315 N ALA A 23 20.890 -0.529 -8.740 1.00 0.00 N ATOM 316 CA ALA A 23 19.741 -1.172 -8.115 1.00 0.00 C ATOM 317 C ALA A 23 19.313 -0.457 -6.852 1.00 0.00 C ATOM 318 O ALA A 23 19.916 -0.594 -5.788 1.00 0.00 O ATOM 319 CB ALA A 23 20.035 -2.636 -7.837 1.00 0.00 C ATOM 0 H ALA A 23 21.409 0.103 -8.130 1.00 0.00 H new ATOM 0 HA ALA A 23 18.909 -1.112 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 23 19.166 -3.099 -7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 23 20.259 -3.146 -8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 23 20.891 -2.714 -7.167 1.00 0.00 H new ATOM 325 N PRO A 24 18.253 0.332 -6.990 1.00 0.00 N ATOM 326 CA PRO A 24 17.673 1.124 -5.936 1.00 0.00 C ATOM 327 C PRO A 24 16.412 0.493 -5.358 1.00 0.00 C ATOM 328 O PRO A 24 15.295 0.905 -5.671 1.00 0.00 O ATOM 329 CB PRO A 24 17.344 2.409 -6.693 1.00 0.00 C ATOM 330 CG PRO A 24 17.174 2.006 -8.135 1.00 0.00 C ATOM 331 CD PRO A 24 17.525 0.550 -8.229 1.00 0.00 C ATOM 0 HA PRO A 24 18.325 1.249 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 24 16.435 2.869 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 24 18.143 3.142 -6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 24 16.149 2.178 -8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 24 17.820 2.601 -8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.638 -0.080 -8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 24 18.137 0.334 -9.105 1.00 0.00 H new ATOM 339 N ILE A 25 16.614 -0.514 -4.522 1.00 0.00 N ATOM 340 CA ILE A 25 15.539 -1.235 -3.880 1.00 0.00 C ATOM 341 C ILE A 25 14.410 -0.336 -3.410 1.00 0.00 C ATOM 342 O ILE A 25 14.393 0.856 -3.707 1.00 0.00 O ATOM 343 CB ILE A 25 16.109 -2.039 -2.717 1.00 0.00 C ATOM 344 CG1 ILE A 25 16.982 -3.125 -3.294 1.00 0.00 C ATOM 345 CG2 ILE A 25 14.999 -2.650 -1.894 1.00 0.00 C ATOM 346 CD1 ILE A 25 16.354 -3.727 -4.525 1.00 0.00 C ATOM 0 H ILE A 25 17.543 -0.853 -4.271 1.00 0.00 H new ATOM 0 HA ILE A 25 15.097 -1.901 -4.622 1.00 0.00 H new ATOM 0 HB ILE A 25 16.687 -1.388 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 25 17.961 -2.715 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 25 17.143 -3.902 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.428 -3.219 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.363 -1.859 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.404 -3.313 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 25 17.004 -4.507 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.387 -4.157 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 25 16.216 -2.952 -5.279 1.00 0.00 H new ATOM 358 N LEU A 26 13.420 -0.927 -2.737 1.00 0.00 N ATOM 359 CA LEU A 26 12.258 -0.177 -2.315 1.00 0.00 C ATOM 360 C LEU A 26 11.597 -0.684 -1.066 1.00 0.00 C ATOM 361 O LEU A 26 12.131 -1.487 -0.305 1.00 0.00 O ATOM 362 CB LEU A 26 11.251 -0.251 -3.428 1.00 0.00 C ATOM 363 CG LEU A 26 11.898 -0.529 -4.753 1.00 0.00 C ATOM 364 CD1 LEU A 26 11.089 -1.517 -5.557 1.00 0.00 C ATOM 365 CD2 LEU A 26 12.139 0.757 -5.516 1.00 0.00 C ATOM 0 H LEU A 26 13.408 -1.914 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 26 12.600 0.833 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.524 -1.033 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.701 0.689 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 26 12.870 -0.986 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.582 -1.699 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.007 -2.454 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.093 -1.112 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.609 0.530 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.188 1.261 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.794 1.407 -4.936 1.00 0.00 H new ATOM 377 N GLN A 27 10.396 -0.176 -0.906 1.00 0.00 N ATOM 378 CA GLN A 27 9.535 -0.513 0.219 1.00 0.00 C ATOM 379 C GLN A 27 8.363 0.457 0.291 1.00 0.00 C ATOM 380 O GLN A 27 8.465 1.541 0.868 1.00 0.00 O ATOM 381 CB GLN A 27 10.326 -0.501 1.523 1.00 0.00 C ATOM 382 CG GLN A 27 9.449 -0.548 2.764 1.00 0.00 C ATOM 383 CD GLN A 27 10.224 -0.292 4.042 1.00 0.00 C ATOM 384 OE1 GLN A 27 9.712 0.609 4.873 1.00 0.00 O flip ATOM 385 NE2 GLN A 27 11.270 -0.897 4.281 1.00 0.00 N flip ATOM 0 H GLN A 27 9.980 0.490 -1.557 1.00 0.00 H new ATOM 0 HA GLN A 27 9.144 -1.519 0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.005 -1.354 1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.942 0.398 1.557 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.656 0.194 2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.967 -1.524 2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.627 -1.581 3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.779 -0.714 5.146 1.00 0.00 H new ATOM 394 N CYS A 28 7.257 0.060 -0.320 1.00 0.00 N ATOM 395 CA CYS A 28 6.057 0.882 -0.361 1.00 0.00 C ATOM 396 C CYS A 28 5.830 1.579 0.978 1.00 0.00 C ATOM 397 O CYS A 28 5.428 0.949 1.957 1.00 0.00 O ATOM 398 CB CYS A 28 4.836 0.036 -0.743 1.00 0.00 C ATOM 399 SG CYS A 28 4.466 0.050 -2.532 1.00 0.00 S ATOM 0 H CYS A 28 7.166 -0.836 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 28 6.197 1.649 -1.123 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.003 -0.993 -0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.966 0.402 -0.198 1.00 0.00 H new ATOM 404 N MET A 29 6.096 2.882 1.016 1.00 0.00 N ATOM 405 CA MET A 29 5.926 3.662 2.237 1.00 0.00 C ATOM 406 C MET A 29 4.978 4.835 2.009 1.00 0.00 C ATOM 407 O MET A 29 4.910 5.386 0.911 1.00 0.00 O ATOM 408 CB MET A 29 7.281 4.176 2.732 1.00 0.00 C ATOM 409 CG MET A 29 7.820 3.417 3.934 1.00 0.00 C ATOM 410 SD MET A 29 6.971 3.846 5.464 1.00 0.00 S ATOM 411 CE MET A 29 7.871 2.843 6.644 1.00 0.00 C ATOM 0 H MET A 29 6.430 3.419 0.216 1.00 0.00 H new ATOM 0 HA MET A 29 5.492 3.010 2.995 1.00 0.00 H new ATOM 0 HB2 MET A 29 8.004 4.111 1.918 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.187 5.230 2.991 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.721 2.346 3.756 1.00 0.00 H new ATOM 0 HG3 MET A 29 8.884 3.625 4.043 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.461 2.999 7.642 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.777 1.791 6.374 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.923 3.127 6.635 1.00 0.00 H new ATOM 421 N GLY A 30 4.250 5.213 3.056 1.00 0.00 N ATOM 422 CA GLY A 30 3.318 6.319 2.948 1.00 0.00 C ATOM 423 C GLY A 30 2.000 6.044 3.646 1.00 0.00 C ATOM 424 O GLY A 30 1.970 5.768 4.845 1.00 0.00 O ATOM 0 H GLY A 30 4.289 4.773 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.771 7.214 3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.130 6.529 1.895 1.00 0.00 H new ATOM 428 N CYS A 31 0.909 6.123 2.892 1.00 0.00 N ATOM 429 CA CYS A 31 -0.420 5.886 3.442 1.00 0.00 C ATOM 430 C CYS A 31 -1.496 6.363 2.469 1.00 0.00 C ATOM 431 O CYS A 31 -1.422 7.473 1.944 1.00 0.00 O ATOM 432 CB CYS A 31 -0.572 6.596 4.789 1.00 0.00 C ATOM 433 SG CYS A 31 0.080 8.297 4.812 1.00 0.00 S ATOM 0 H CYS A 31 0.919 6.350 1.898 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.543 4.814 3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.628 6.620 5.058 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.061 6.012 5.555 1.00 0.00 H new ATOM 438 N CYS A 32 -2.488 5.512 2.227 1.00 0.00 N ATOM 439 CA CYS A 32 -3.574 5.842 1.310 1.00 0.00 C ATOM 440 C CYS A 32 -4.493 6.908 1.896 1.00 0.00 C ATOM 441 O CYS A 32 -4.365 7.286 3.061 1.00 0.00 O ATOM 442 CB CYS A 32 -4.393 4.592 0.982 1.00 0.00 C ATOM 443 SG CYS A 32 -3.395 3.126 0.570 1.00 0.00 S ATOM 0 H CYS A 32 -2.562 4.588 2.653 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.124 6.235 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.029 4.355 1.835 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.053 4.815 0.144 1.00 0.00 H new ATOM 448 N PHE A 33 -5.430 7.375 1.077 1.00 0.00 N ATOM 449 CA PHE A 33 -6.391 8.387 1.500 1.00 0.00 C ATOM 450 C PHE A 33 -7.657 8.309 0.655 1.00 0.00 C ATOM 451 O PHE A 33 -7.660 7.713 -0.421 1.00 0.00 O ATOM 452 CB PHE A 33 -5.786 9.788 1.399 1.00 0.00 C ATOM 453 CG PHE A 33 -4.869 9.970 0.223 1.00 0.00 C ATOM 454 CD1 PHE A 33 -5.367 9.969 -1.071 1.00 0.00 C ATOM 455 CD2 PHE A 33 -3.509 10.148 0.413 1.00 0.00 C ATOM 456 CE1 PHE A 33 -4.523 10.141 -2.152 1.00 0.00 C ATOM 457 CE2 PHE A 33 -2.660 10.320 -0.664 1.00 0.00 C ATOM 458 CZ PHE A 33 -3.168 10.317 -1.948 1.00 0.00 C ATOM 0 H PHE A 33 -5.544 7.067 0.111 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.647 8.192 2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.593 10.518 1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.234 10.002 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.426 9.832 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.107 10.152 1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.922 10.138 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.601 10.457 -0.502 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.507 10.452 -2.791 1.00 0.00 H new ATOM 468 N SER A 34 -8.733 8.915 1.148 1.00 0.00 N ATOM 469 CA SER A 34 -10.004 8.909 0.432 1.00 0.00 C ATOM 470 C SER A 34 -11.053 9.735 1.171 1.00 0.00 C ATOM 471 O SER A 34 -10.852 10.125 2.321 1.00 0.00 O ATOM 472 CB SER A 34 -10.501 7.473 0.255 1.00 0.00 C ATOM 473 OG SER A 34 -11.468 7.392 -0.777 1.00 0.00 O ATOM 0 H SER A 34 -8.750 9.415 2.037 1.00 0.00 H new ATOM 0 HA SER A 34 -9.843 9.358 -0.548 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.660 6.820 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.932 7.116 1.190 1.00 0.00 H new ATOM 0 HG SER A 34 -11.769 6.464 -0.872 1.00 0.00 H new ATOM 479 N ARG A 35 -12.174 9.996 0.505 1.00 0.00 N ATOM 480 CA ARG A 35 -13.252 10.771 1.107 1.00 0.00 C ATOM 481 C ARG A 35 -13.976 9.950 2.169 1.00 0.00 C ATOM 482 O ARG A 35 -14.380 8.814 1.920 1.00 0.00 O ATOM 483 CB ARG A 35 -14.245 11.235 0.040 1.00 0.00 C ATOM 484 CG ARG A 35 -14.478 12.737 0.045 1.00 0.00 C ATOM 485 CD ARG A 35 -14.900 13.243 -1.324 1.00 0.00 C ATOM 486 NE ARG A 35 -13.752 13.586 -2.158 1.00 0.00 N ATOM 487 CZ ARG A 35 -13.353 12.863 -3.199 1.00 0.00 C ATOM 488 NH1 ARG A 35 -13.987 11.743 -3.520 1.00 0.00 N ATOM 489 NH2 ARG A 35 -12.311 13.259 -3.917 1.00 0.00 N ATOM 0 H ARG A 35 -12.359 9.683 -0.448 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.812 11.648 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.879 10.935 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.197 10.727 0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.247 12.984 0.777 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.566 13.246 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -15.497 12.480 -1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.537 14.119 -1.206 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.226 14.429 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.786 11.432 -2.967 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.676 11.192 -4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.818 14.117 -3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.003 12.706 -4.717 1.00 0.00 H new ATOM 503 N ALA A 36 -14.132 10.529 3.355 1.00 0.00 N ATOM 504 CA ALA A 36 -14.803 9.846 4.455 1.00 0.00 C ATOM 505 C ALA A 36 -16.192 10.422 4.704 1.00 0.00 C ATOM 506 O ALA A 36 -16.450 11.593 4.426 1.00 0.00 O ATOM 507 CB ALA A 36 -13.964 9.934 5.720 1.00 0.00 C ATOM 0 H ALA A 36 -13.803 11.468 3.579 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.920 8.799 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.477 9.420 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.995 9.465 5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.818 10.980 5.987 1.00 0.00 H new ATOM 513 N TYR A 37 -17.080 9.588 5.234 1.00 0.00 N ATOM 514 CA TYR A 37 -18.446 10.006 5.529 1.00 0.00 C ATOM 515 C TYR A 37 -19.242 8.859 6.141 1.00 0.00 C ATOM 516 O TYR A 37 -19.598 7.901 5.455 1.00 0.00 O ATOM 517 CB TYR A 37 -19.141 10.502 4.260 1.00 0.00 C ATOM 518 CG TYR A 37 -20.500 11.115 4.518 1.00 0.00 C ATOM 519 CD1 TYR A 37 -20.644 12.188 5.388 1.00 0.00 C ATOM 520 CD2 TYR A 37 -21.639 10.622 3.891 1.00 0.00 C ATOM 521 CE1 TYR A 37 -21.883 12.752 5.627 1.00 0.00 C ATOM 522 CE2 TYR A 37 -22.881 11.181 4.125 1.00 0.00 C ATOM 523 CZ TYR A 37 -22.997 12.246 4.994 1.00 0.00 C ATOM 524 OH TYR A 37 -24.231 12.806 5.229 1.00 0.00 O ATOM 0 H TYR A 37 -16.878 8.616 5.469 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.400 10.823 6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -18.505 11.240 3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -19.253 9.668 3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -19.773 12.588 5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -21.552 9.788 3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -21.977 13.586 6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -23.756 10.786 3.630 1.00 0.00 H new ATOM 0 HH TYR A 37 -24.910 12.333 4.704 1.00 0.00 H new ATOM 534 N PRO A 38 -19.530 8.944 7.447 1.00 0.00 N ATOM 535 CA PRO A 38 -20.286 7.917 8.159 1.00 0.00 C ATOM 536 C PRO A 38 -21.450 7.373 7.338 1.00 0.00 C ATOM 537 O PRO A 38 -22.122 8.118 6.624 1.00 0.00 O ATOM 538 CB PRO A 38 -20.800 8.666 9.384 1.00 0.00 C ATOM 539 CG PRO A 38 -19.753 9.689 9.665 1.00 0.00 C ATOM 540 CD PRO A 38 -19.141 10.056 8.335 1.00 0.00 C ATOM 0 HA PRO A 38 -19.678 7.043 8.391 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -21.766 9.131 9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -20.936 7.994 10.232 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -20.187 10.565 10.147 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -18.997 9.294 10.343 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -19.521 11.010 7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.057 10.150 8.406 1.00 0.00 H new ATOM 548 N THR A 39 -21.685 6.070 7.449 1.00 0.00 N ATOM 549 CA THR A 39 -22.771 5.424 6.722 1.00 0.00 C ATOM 550 C THR A 39 -22.887 5.984 5.306 1.00 0.00 C ATOM 551 O THR A 39 -23.800 6.747 4.995 1.00 0.00 O ATOM 552 CB THR A 39 -24.089 5.601 7.481 1.00 0.00 C ATOM 553 OG1 THR A 39 -24.879 6.623 6.901 1.00 0.00 O ATOM 554 CG2 THR A 39 -23.893 5.950 8.940 1.00 0.00 C ATOM 0 H THR A 39 -21.138 5.440 8.036 1.00 0.00 H new ATOM 0 HA THR A 39 -22.550 4.359 6.645 1.00 0.00 H new ATOM 0 HB THR A 39 -24.588 4.635 7.413 1.00 0.00 H new ATOM 0 HG1 THR A 39 -24.318 7.183 6.325 1.00 0.00 H new ATOM 0 HG21 THR A 39 -24.865 6.062 9.421 1.00 0.00 H new ATOM 0 HG22 THR A 39 -23.334 5.155 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 39 -23.339 6.886 9.019 1.00 0.00 H new ATOM 562 N PRO A 40 -21.950 5.604 4.426 1.00 0.00 N ATOM 563 CA PRO A 40 -21.936 6.063 3.034 1.00 0.00 C ATOM 564 C PRO A 40 -23.297 5.921 2.359 1.00 0.00 C ATOM 565 O PRO A 40 -24.022 4.954 2.597 1.00 0.00 O ATOM 566 CB PRO A 40 -20.909 5.144 2.376 1.00 0.00 C ATOM 567 CG PRO A 40 -19.979 4.777 3.479 1.00 0.00 C ATOM 568 CD PRO A 40 -20.825 4.697 4.721 1.00 0.00 C ATOM 0 HA PRO A 40 -21.695 7.123 2.954 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -21.383 4.262 1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -20.384 5.650 1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -19.490 3.824 3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -19.191 5.522 3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -21.168 3.680 4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -20.273 5.016 5.605 1.00 0.00 H new ATOM 576 N LEU A 41 -23.638 6.892 1.518 1.00 0.00 N ATOM 577 CA LEU A 41 -24.913 6.878 0.810 1.00 0.00 C ATOM 578 C LEU A 41 -24.712 7.155 -0.677 1.00 0.00 C ATOM 579 O LEU A 41 -25.302 8.084 -1.229 1.00 0.00 O ATOM 580 CB LEU A 41 -25.861 7.923 1.410 1.00 0.00 C ATOM 581 CG LEU A 41 -27.305 7.460 1.649 1.00 0.00 C ATOM 582 CD1 LEU A 41 -28.249 8.140 0.671 1.00 0.00 C ATOM 583 CD2 LEU A 41 -27.423 5.947 1.537 1.00 0.00 C ATOM 0 H LEU A 41 -23.049 7.699 1.310 1.00 0.00 H new ATOM 0 HA LEU A 41 -25.353 5.887 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -25.446 8.259 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -25.882 8.789 0.748 1.00 0.00 H new ATOM 0 HG LEU A 41 -27.586 7.745 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -29.269 7.801 0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -28.196 9.220 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -27.960 7.887 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -28.457 5.649 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -27.117 5.631 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -26.779 5.476 2.280 1.00 0.00 H new ATOM 595 N ARG A 42 -23.880 6.342 -1.321 1.00 0.00 N ATOM 596 CA ARG A 42 -23.610 6.502 -2.745 1.00 0.00 C ATOM 597 C ARG A 42 -24.862 6.207 -3.564 1.00 0.00 C ATOM 598 O ARG A 42 -25.959 6.106 -3.015 1.00 0.00 O ATOM 599 CB ARG A 42 -22.465 5.580 -3.178 1.00 0.00 C ATOM 600 CG ARG A 42 -22.933 4.245 -3.736 1.00 0.00 C ATOM 601 CD ARG A 42 -21.827 3.202 -3.698 1.00 0.00 C ATOM 602 NE ARG A 42 -21.783 2.494 -2.422 1.00 0.00 N ATOM 603 CZ ARG A 42 -22.510 1.414 -2.155 1.00 0.00 C ATOM 604 NH1 ARG A 42 -23.341 0.931 -3.070 1.00 0.00 N ATOM 605 NH2 ARG A 42 -22.409 0.818 -0.976 1.00 0.00 N ATOM 0 H ARG A 42 -23.383 5.568 -0.880 1.00 0.00 H new ATOM 0 HA ARG A 42 -23.314 7.536 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -21.866 6.089 -3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -21.814 5.398 -2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -23.788 3.890 -3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -23.272 4.379 -4.763 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -21.978 2.485 -4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -20.867 3.686 -3.877 1.00 0.00 H new ATOM 0 HE ARG A 42 -21.160 2.848 -1.696 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -23.422 1.389 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -23.899 0.102 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -21.772 1.188 -0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -22.968 -0.011 -0.774 1.00 0.00 H new ATOM 619 N SER A 43 -24.690 6.070 -4.877 1.00 0.00 N ATOM 620 CA SER A 43 -25.802 5.784 -5.781 1.00 0.00 C ATOM 621 C SER A 43 -27.003 5.215 -5.027 1.00 0.00 C ATOM 622 O SER A 43 -26.908 4.167 -4.389 1.00 0.00 O ATOM 623 CB SER A 43 -25.359 4.804 -6.867 1.00 0.00 C ATOM 624 OG SER A 43 -25.254 5.448 -8.124 1.00 0.00 O ATOM 0 H SER A 43 -23.785 6.153 -5.341 1.00 0.00 H new ATOM 0 HA SER A 43 -26.106 6.724 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 43 -24.397 4.368 -6.597 1.00 0.00 H new ATOM 0 HB3 SER A 43 -26.073 3.984 -6.934 1.00 0.00 H new ATOM 0 HG SER A 43 -24.967 4.800 -8.801 1.00 0.00 H new ATOM 630 N LYS A 44 -28.129 5.918 -5.103 1.00 0.00 N ATOM 631 CA LYS A 44 -29.349 5.490 -4.426 1.00 0.00 C ATOM 632 C LYS A 44 -29.589 3.995 -4.616 1.00 0.00 C ATOM 633 O LYS A 44 -29.122 3.176 -3.825 1.00 0.00 O ATOM 634 CB LYS A 44 -30.552 6.281 -4.946 1.00 0.00 C ATOM 635 CG LYS A 44 -30.487 7.768 -4.634 1.00 0.00 C ATOM 636 CD LYS A 44 -31.867 8.406 -4.670 1.00 0.00 C ATOM 637 CE LYS A 44 -32.621 8.036 -5.938 1.00 0.00 C ATOM 638 NZ LYS A 44 -32.336 8.984 -7.050 1.00 0.00 N ATOM 0 H LYS A 44 -28.222 6.788 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 44 -29.226 5.685 -3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -30.624 6.148 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -31.463 5.867 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -30.043 7.915 -3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.837 8.264 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -32.439 8.086 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -31.769 9.490 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -32.346 7.026 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -33.692 8.027 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -32.869 8.697 -7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -32.622 9.944 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -31.318 8.974 -7.262 1.00 0.00 H new ATOM 652 N LYS A 45 -30.323 3.648 -5.669 1.00 0.00 N ATOM 653 CA LYS A 45 -30.629 2.251 -5.963 1.00 0.00 C ATOM 654 C LYS A 45 -30.916 1.472 -4.682 1.00 0.00 C ATOM 655 O LYS A 45 -31.187 2.056 -3.633 1.00 0.00 O ATOM 656 CB LYS A 45 -29.468 1.597 -6.714 1.00 0.00 C ATOM 657 CG LYS A 45 -29.854 1.049 -8.080 1.00 0.00 C ATOM 658 CD LYS A 45 -30.488 -0.328 -7.969 1.00 0.00 C ATOM 659 CE LYS A 45 -30.629 -0.990 -9.331 1.00 0.00 C ATOM 660 NZ LYS A 45 -29.324 -1.494 -9.842 1.00 0.00 N ATOM 0 H LYS A 45 -30.717 4.314 -6.333 1.00 0.00 H new ATOM 0 HA LYS A 45 -31.520 2.229 -6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -28.669 2.328 -6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -29.066 0.786 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -30.551 1.733 -8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -28.969 0.993 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -29.881 -0.958 -7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -31.469 -0.241 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -31.335 -1.817 -9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -31.045 -0.275 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -29.480 -2.041 -10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.697 -0.690 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -28.883 -2.104 -9.125 1.00 0.00 H new ATOM 674 N THR A 46 -30.849 0.149 -4.784 1.00 0.00 N ATOM 675 CA THR A 46 -31.094 -0.728 -3.644 1.00 0.00 C ATOM 676 C THR A 46 -30.289 -2.016 -3.783 1.00 0.00 C ATOM 677 O THR A 46 -30.626 -3.042 -3.190 1.00 0.00 O ATOM 678 CB THR A 46 -32.585 -1.055 -3.533 1.00 0.00 C ATOM 679 OG1 THR A 46 -33.372 -0.010 -4.078 1.00 0.00 O ATOM 680 CG2 THR A 46 -33.045 -1.278 -2.109 1.00 0.00 C ATOM 0 H THR A 46 -30.626 -0.342 -5.650 1.00 0.00 H new ATOM 0 HA THR A 46 -30.779 -0.210 -2.738 1.00 0.00 H new ATOM 0 HB THR A 46 -32.717 -1.982 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 46 -34.321 -0.240 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 46 -34.111 -1.505 -2.102 1.00 0.00 H new ATOM 0 HG22 THR A 46 -32.493 -2.112 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 46 -32.862 -0.378 -1.522 1.00 0.00 H new ATOM 688 N MET A 47 -29.225 -1.953 -4.577 1.00 0.00 N ATOM 689 CA MET A 47 -28.366 -3.109 -4.808 1.00 0.00 C ATOM 690 C MET A 47 -27.750 -3.604 -3.504 1.00 0.00 C ATOM 691 O MET A 47 -28.013 -3.057 -2.433 1.00 0.00 O ATOM 692 CB MET A 47 -27.261 -2.751 -5.804 1.00 0.00 C ATOM 693 CG MET A 47 -26.796 -3.926 -6.646 1.00 0.00 C ATOM 694 SD MET A 47 -25.024 -4.221 -6.502 1.00 0.00 S ATOM 695 CE MET A 47 -24.608 -4.608 -8.199 1.00 0.00 C ATOM 0 H MET A 47 -28.936 -1.110 -5.073 1.00 0.00 H new ATOM 0 HA MET A 47 -28.979 -3.910 -5.222 1.00 0.00 H new ATOM 0 HB2 MET A 47 -27.621 -1.962 -6.464 1.00 0.00 H new ATOM 0 HB3 MET A 47 -26.409 -2.346 -5.258 1.00 0.00 H new ATOM 0 HG2 MET A 47 -27.336 -4.823 -6.342 1.00 0.00 H new ATOM 0 HG3 MET A 47 -27.047 -3.742 -7.691 1.00 0.00 H new ATOM 0 HE1 MET A 47 -23.541 -4.815 -8.274 1.00 0.00 H new ATOM 0 HE2 MET A 47 -25.171 -5.484 -8.521 1.00 0.00 H new ATOM 0 HE3 MET A 47 -24.859 -3.761 -8.837 1.00 0.00 H new ATOM 705 N LEU A 48 -26.931 -4.646 -3.603 1.00 0.00 N ATOM 706 CA LEU A 48 -26.280 -5.217 -2.433 1.00 0.00 C ATOM 707 C LEU A 48 -24.971 -5.901 -2.815 1.00 0.00 C ATOM 708 O LEU A 48 -24.850 -6.468 -3.900 1.00 0.00 O ATOM 709 CB LEU A 48 -27.208 -6.221 -1.748 1.00 0.00 C ATOM 710 CG LEU A 48 -28.466 -5.619 -1.124 1.00 0.00 C ATOM 711 CD1 LEU A 48 -29.649 -5.751 -2.071 1.00 0.00 C ATOM 712 CD2 LEU A 48 -28.769 -6.290 0.205 1.00 0.00 C ATOM 0 H LEU A 48 -26.703 -5.111 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 48 -26.056 -4.404 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -27.507 -6.973 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -26.647 -6.739 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 48 -28.289 -4.559 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -30.535 -5.317 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -29.431 -5.226 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -29.830 -6.805 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -29.668 -5.851 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -28.927 -7.357 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -27.930 -6.144 0.886 1.00 0.00 H new ATOM 724 N VAL A 49 -23.994 -5.845 -1.915 1.00 0.00 N ATOM 725 CA VAL A 49 -22.696 -6.462 -2.160 1.00 0.00 C ATOM 726 C VAL A 49 -22.181 -7.173 -0.915 1.00 0.00 C ATOM 727 O VAL A 49 -22.132 -6.594 0.170 1.00 0.00 O ATOM 728 CB VAL A 49 -21.652 -5.426 -2.615 1.00 0.00 C ATOM 729 CG1 VAL A 49 -21.409 -5.534 -4.112 1.00 0.00 C ATOM 730 CG2 VAL A 49 -22.092 -4.020 -2.238 1.00 0.00 C ATOM 0 H VAL A 49 -24.077 -5.379 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 49 -22.842 -7.190 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 49 -20.713 -5.636 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -20.668 -4.794 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -21.042 -6.533 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -22.342 -5.353 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -21.341 -3.303 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -23.044 -3.795 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -22.207 -3.953 -1.156 1.00 0.00 H new ATOM 740 N GLN A 50 -21.798 -8.433 -1.081 1.00 0.00 N ATOM 741 CA GLN A 50 -21.287 -9.227 0.028 1.00 0.00 C ATOM 742 C GLN A 50 -19.765 -9.158 0.093 1.00 0.00 C ATOM 743 O GLN A 50 -19.083 -9.294 -0.922 1.00 0.00 O ATOM 744 CB GLN A 50 -21.740 -10.681 -0.111 1.00 0.00 C ATOM 745 CG GLN A 50 -23.155 -10.923 0.387 1.00 0.00 C ATOM 746 CD GLN A 50 -23.267 -10.796 1.893 1.00 0.00 C ATOM 747 OE1 GLN A 50 -24.160 -10.122 2.407 1.00 0.00 O ATOM 748 NE2 GLN A 50 -22.359 -11.448 2.609 1.00 0.00 N ATOM 0 H GLN A 50 -21.832 -8.926 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 50 -21.688 -8.815 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -21.676 -10.975 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -21.054 -11.322 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -23.831 -10.210 -0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -23.479 -11.919 0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -21.637 -11.995 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -22.384 -11.402 3.628 1.00 0.00 H new ATOM 757 N LYS A 51 -19.240 -8.948 1.296 1.00 0.00 N ATOM 758 CA LYS A 51 -17.798 -8.862 1.496 1.00 0.00 C ATOM 759 C LYS A 51 -17.396 -9.520 2.810 1.00 0.00 C ATOM 760 O LYS A 51 -16.275 -9.347 3.288 1.00 0.00 O ATOM 761 CB LYS A 51 -17.348 -7.401 1.484 1.00 0.00 C ATOM 762 CG LYS A 51 -15.847 -7.228 1.318 1.00 0.00 C ATOM 763 CD LYS A 51 -15.443 -7.258 -0.147 1.00 0.00 C ATOM 764 CE LYS A 51 -14.426 -6.175 -0.466 1.00 0.00 C ATOM 765 NZ LYS A 51 -13.083 -6.498 0.090 1.00 0.00 N ATOM 0 H LYS A 51 -19.791 -8.834 2.147 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.308 -9.391 0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -17.857 -6.879 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -17.659 -6.926 2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.537 -6.283 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.326 -8.020 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.025 -8.235 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.326 -7.125 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.352 -6.052 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.769 -5.223 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.607 -5.620 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.190 -7.123 0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.513 -6.977 -0.636 1.00 0.00 H new ATOM 779 N ASN A 52 -18.321 -10.276 3.388 1.00 0.00 N ATOM 780 CA ASN A 52 -18.075 -10.964 4.648 1.00 0.00 C ATOM 781 C ASN A 52 -17.226 -10.110 5.585 1.00 0.00 C ATOM 782 O ASN A 52 -17.106 -8.900 5.398 1.00 0.00 O ATOM 783 CB ASN A 52 -17.404 -12.315 4.395 1.00 0.00 C ATOM 784 CG ASN A 52 -15.918 -12.200 4.113 1.00 0.00 C ATOM 785 OD1 ASN A 52 -15.142 -11.787 4.975 1.00 0.00 O ATOM 786 ND2 ASN A 52 -15.519 -12.565 2.897 1.00 0.00 N ATOM 0 H ASN A 52 -19.253 -10.428 3.002 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.036 -11.137 5.132 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.554 -12.956 5.264 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.891 -12.803 3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.200 -12.901 2.216 1.00 0.00 H new ATOM 791 N VAL A 53 -16.651 -10.741 6.603 1.00 0.00 N ATOM 792 CA VAL A 53 -15.829 -10.027 7.574 1.00 0.00 C ATOM 793 C VAL A 53 -14.342 -10.251 7.324 1.00 0.00 C ATOM 794 O VAL A 53 -13.846 -11.372 7.439 1.00 0.00 O ATOM 795 CB VAL A 53 -16.164 -10.458 9.013 1.00 0.00 C ATOM 796 CG1 VAL A 53 -17.526 -9.924 9.428 1.00 0.00 C ATOM 797 CG2 VAL A 53 -16.115 -11.973 9.140 1.00 0.00 C ATOM 0 H VAL A 53 -16.738 -11.742 6.777 1.00 0.00 H new ATOM 0 HA VAL A 53 -16.054 -8.967 7.452 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.416 -10.035 9.683 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -17.745 -10.239 10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.521 -8.835 9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -18.290 -10.314 8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -16.354 -12.260 10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.840 -12.419 8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.115 -12.327 8.888 1.00 0.00 H new ATOM 807 N THR A 54 -13.632 -9.172 6.997 1.00 0.00 N ATOM 808 CA THR A 54 -12.195 -9.247 6.743 1.00 0.00 C ATOM 809 C THR A 54 -11.677 -7.980 6.061 1.00 0.00 C ATOM 810 O THR A 54 -10.468 -7.753 6.001 1.00 0.00 O ATOM 811 CB THR A 54 -11.863 -10.476 5.888 1.00 0.00 C ATOM 812 OG1 THR A 54 -10.833 -11.238 6.491 1.00 0.00 O ATOM 813 CG2 THR A 54 -11.415 -10.136 4.480 1.00 0.00 C ATOM 0 H THR A 54 -14.028 -8.237 6.902 1.00 0.00 H new ATOM 0 HA THR A 54 -11.697 -9.338 7.708 1.00 0.00 H new ATOM 0 HB THR A 54 -12.794 -11.039 5.825 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.635 -12.019 5.933 1.00 0.00 H new ATOM 0 HG21 THR A 54 -11.198 -11.055 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.207 -9.589 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.518 -9.519 4.523 1.00 0.00 H new ATOM 821 N SER A 55 -12.587 -7.161 5.542 1.00 0.00 N ATOM 822 CA SER A 55 -12.195 -5.931 4.862 1.00 0.00 C ATOM 823 C SER A 55 -12.975 -4.726 5.380 1.00 0.00 C ATOM 824 O SER A 55 -14.100 -4.471 4.951 1.00 0.00 O ATOM 825 CB SER A 55 -12.404 -6.070 3.354 1.00 0.00 C ATOM 826 OG SER A 55 -11.462 -6.964 2.788 1.00 0.00 O ATOM 0 H SER A 55 -13.593 -7.325 5.579 1.00 0.00 H new ATOM 0 HA SER A 55 -11.138 -5.765 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.414 -6.428 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.313 -5.093 2.880 1.00 0.00 H new ATOM 0 HG SER A 55 -11.261 -6.689 1.869 1.00 0.00 H new ATOM 832 N GLU A 56 -12.361 -3.981 6.295 1.00 0.00 N ATOM 833 CA GLU A 56 -12.987 -2.791 6.863 1.00 0.00 C ATOM 834 C GLU A 56 -12.115 -1.560 6.629 1.00 0.00 C ATOM 835 O GLU A 56 -12.605 -0.431 6.622 1.00 0.00 O ATOM 836 CB GLU A 56 -13.238 -2.979 8.360 1.00 0.00 C ATOM 837 CG GLU A 56 -14.042 -1.850 8.985 1.00 0.00 C ATOM 838 CD GLU A 56 -15.433 -2.285 9.404 1.00 0.00 C ATOM 839 OE1 GLU A 56 -15.554 -2.971 10.442 1.00 0.00 O ATOM 840 OE2 GLU A 56 -16.402 -1.941 8.695 1.00 0.00 O ATOM 0 H GLU A 56 -11.429 -4.181 6.659 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.944 -2.640 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.765 -3.920 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.280 -3.060 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.508 -1.467 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.122 -1.029 8.273 1.00 0.00 H new ATOM 847 N SER A 57 -10.820 -1.788 6.429 1.00 0.00 N ATOM 848 CA SER A 57 -9.879 -0.701 6.185 1.00 0.00 C ATOM 849 C SER A 57 -8.990 -1.024 4.990 1.00 0.00 C ATOM 850 O SER A 57 -8.632 -2.180 4.766 1.00 0.00 O ATOM 851 CB SER A 57 -9.020 -0.444 7.424 1.00 0.00 C ATOM 852 OG SER A 57 -8.415 -1.640 7.890 1.00 0.00 O ATOM 0 H SER A 57 -10.399 -2.717 6.431 1.00 0.00 H new ATOM 0 HA SER A 57 -10.450 0.201 5.964 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.248 0.288 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.636 -0.014 8.214 1.00 0.00 H new ATOM 0 HG SER A 57 -8.216 -1.555 8.846 1.00 0.00 H new ATOM 858 N THR A 58 -8.646 0.001 4.218 1.00 0.00 N ATOM 859 CA THR A 58 -7.810 -0.181 3.038 1.00 0.00 C ATOM 860 C THR A 58 -6.331 -0.250 3.404 1.00 0.00 C ATOM 861 O THR A 58 -5.940 0.066 4.529 1.00 0.00 O ATOM 862 CB THR A 58 -8.048 0.951 2.039 1.00 0.00 C ATOM 863 OG1 THR A 58 -8.468 2.129 2.706 1.00 0.00 O ATOM 864 CG2 THR A 58 -9.091 0.615 0.996 1.00 0.00 C ATOM 0 H THR A 58 -8.933 0.965 4.388 1.00 0.00 H new ATOM 0 HA THR A 58 -8.088 -1.130 2.580 1.00 0.00 H new ATOM 0 HB THR A 58 -7.092 1.103 1.538 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.613 2.842 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.213 1.460 0.318 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.772 -0.261 0.431 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.041 0.404 1.487 1.00 0.00 H new ATOM 872 N CYS A 59 -5.515 -0.668 2.442 1.00 0.00 N ATOM 873 CA CYS A 59 -4.077 -0.783 2.649 1.00 0.00 C ATOM 874 C CYS A 59 -3.385 -1.240 1.369 1.00 0.00 C ATOM 875 O CYS A 59 -3.946 -2.008 0.588 1.00 0.00 O ATOM 876 CB CYS A 59 -3.783 -1.763 3.785 1.00 0.00 C ATOM 877 SG CYS A 59 -2.106 -2.475 3.737 1.00 0.00 S ATOM 0 H CYS A 59 -5.827 -0.934 1.508 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.689 0.199 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.922 -1.251 4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.511 -2.573 3.749 1.00 0.00 H new ATOM 882 N CYS A 60 -2.163 -0.760 1.158 1.00 0.00 N ATOM 883 CA CYS A 60 -1.403 -1.119 -0.034 1.00 0.00 C ATOM 884 C CYS A 60 -0.436 -2.264 0.245 1.00 0.00 C ATOM 885 O CYS A 60 0.061 -2.422 1.360 1.00 0.00 O ATOM 886 CB CYS A 60 -0.630 0.089 -0.577 1.00 0.00 C ATOM 887 SG CYS A 60 -0.674 1.566 0.491 1.00 0.00 S ATOM 0 H CYS A 60 -1.680 -0.125 1.793 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.121 -1.448 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.410 -0.201 -0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.034 0.352 -1.554 1.00 0.00 H new ATOM 892 N VAL A 61 -0.175 -3.056 -0.791 1.00 0.00 N ATOM 893 CA VAL A 61 0.731 -4.194 -0.697 1.00 0.00 C ATOM 894 C VAL A 61 1.326 -4.504 -2.067 1.00 0.00 C ATOM 895 O VAL A 61 0.827 -5.371 -2.786 1.00 0.00 O ATOM 896 CB VAL A 61 0.004 -5.441 -0.165 1.00 0.00 C ATOM 897 CG1 VAL A 61 0.966 -6.610 -0.044 1.00 0.00 C ATOM 898 CG2 VAL A 61 -0.658 -5.141 1.172 1.00 0.00 C ATOM 0 H VAL A 61 -0.585 -2.927 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 61 1.527 -3.931 -0.000 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.775 -5.717 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.433 -7.482 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.387 -6.838 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.770 -6.350 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.168 -6.034 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.101 -4.838 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.382 -4.336 1.047 1.00 0.00 H new ATOM 908 N ALA A 62 2.381 -3.772 -2.424 1.00 0.00 N ATOM 909 CA ALA A 62 3.049 -3.930 -3.717 1.00 0.00 C ATOM 910 C ALA A 62 2.321 -4.907 -4.635 1.00 0.00 C ATOM 911 O ALA A 62 2.349 -6.118 -4.417 1.00 0.00 O ATOM 912 CB ALA A 62 4.493 -4.370 -3.536 1.00 0.00 C ATOM 0 H ALA A 62 2.796 -3.055 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 62 3.030 -2.950 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.965 -4.480 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.031 -3.621 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.519 -5.325 -3.011 1.00 0.00 H new ATOM 918 N LYS A 63 1.700 -4.372 -5.683 1.00 0.00 N ATOM 919 CA LYS A 63 0.999 -5.193 -6.656 1.00 0.00 C ATOM 920 C LYS A 63 1.968 -6.193 -7.242 1.00 0.00 C ATOM 921 O LYS A 63 1.630 -7.347 -7.503 1.00 0.00 O ATOM 922 CB LYS A 63 0.448 -4.325 -7.782 1.00 0.00 C ATOM 923 CG LYS A 63 -0.444 -5.090 -8.743 1.00 0.00 C ATOM 924 CD LYS A 63 -0.178 -4.705 -10.189 1.00 0.00 C ATOM 925 CE LYS A 63 -1.352 -5.069 -11.083 1.00 0.00 C ATOM 926 NZ LYS A 63 -0.942 -5.943 -12.217 1.00 0.00 N ATOM 0 H LYS A 63 1.670 -3.371 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 63 0.173 -5.704 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.117 -3.498 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.279 -3.889 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.281 -6.160 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.489 -4.896 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.012 -3.634 -10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.721 -5.210 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.114 -5.577 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.806 -4.158 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.773 -6.167 -12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.234 -5.450 -12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.532 -6.824 -11.846 1.00 0.00 H new ATOM 940 N SER A 64 3.186 -5.720 -7.430 1.00 0.00 N ATOM 941 CA SER A 64 4.254 -6.527 -7.970 1.00 0.00 C ATOM 942 C SER A 64 5.548 -6.174 -7.262 1.00 0.00 C ATOM 943 O SER A 64 5.820 -5.005 -6.993 1.00 0.00 O ATOM 944 CB SER A 64 4.393 -6.308 -9.477 1.00 0.00 C ATOM 945 OG SER A 64 3.475 -7.111 -10.197 1.00 0.00 O ATOM 0 H SER A 64 3.459 -4.762 -7.211 1.00 0.00 H new ATOM 0 HA SER A 64 4.024 -7.580 -7.807 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.223 -5.257 -9.712 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.410 -6.544 -9.789 1.00 0.00 H new ATOM 0 HG SER A 64 2.728 -7.358 -9.613 1.00 0.00 H new ATOM 951 N TYR A 65 6.327 -7.183 -6.933 1.00 0.00 N ATOM 952 CA TYR A 65 7.573 -6.968 -6.226 1.00 0.00 C ATOM 953 C TYR A 65 8.742 -7.554 -6.980 1.00 0.00 C ATOM 954 O TYR A 65 8.588 -8.483 -7.772 1.00 0.00 O ATOM 955 CB TYR A 65 7.493 -7.622 -4.854 1.00 0.00 C ATOM 956 CG TYR A 65 6.641 -8.866 -4.850 1.00 0.00 C ATOM 957 CD1 TYR A 65 5.266 -8.780 -5.008 1.00 0.00 C ATOM 958 CD2 TYR A 65 7.210 -10.124 -4.703 1.00 0.00 C ATOM 959 CE1 TYR A 65 4.476 -9.913 -5.018 1.00 0.00 C ATOM 960 CE2 TYR A 65 6.427 -11.264 -4.714 1.00 0.00 C ATOM 961 CZ TYR A 65 5.061 -11.153 -4.871 1.00 0.00 C ATOM 962 OH TYR A 65 4.279 -12.285 -4.883 1.00 0.00 O ATOM 0 H TYR A 65 6.120 -8.159 -7.143 1.00 0.00 H new ATOM 0 HA TYR A 65 7.727 -5.893 -6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.499 -7.874 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.087 -6.907 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.805 -7.810 -5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.279 -10.214 -4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.406 -9.828 -5.140 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.883 -12.236 -4.600 1.00 0.00 H new ATOM 0 HH TYR A 65 4.846 -13.076 -4.769 1.00 0.00 H new ATOM 972 N ASN A 66 9.918 -7.037 -6.690 1.00 0.00 N ATOM 973 CA ASN A 66 11.125 -7.552 -7.307 1.00 0.00 C ATOM 974 C ASN A 66 12.073 -7.938 -6.207 1.00 0.00 C ATOM 975 O ASN A 66 13.295 -7.885 -6.340 1.00 0.00 O ATOM 976 CB ASN A 66 11.755 -6.530 -8.237 1.00 0.00 C ATOM 977 CG ASN A 66 11.674 -6.941 -9.693 1.00 0.00 C ATOM 978 OD1 ASN A 66 10.684 -6.671 -10.373 1.00 0.00 O ATOM 979 ND2 ASN A 66 12.719 -7.600 -10.178 1.00 0.00 N ATOM 0 H ASN A 66 10.065 -6.267 -6.037 1.00 0.00 H new ATOM 0 HA ASN A 66 10.885 -8.420 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.257 -5.569 -8.106 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.800 -6.388 -7.961 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.723 -7.905 -11.151 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.518 -7.802 -9.577 1.00 0.00 H new ATOM 986 N ARG A 67 11.446 -8.311 -5.114 1.00 0.00 N ATOM 987 CA ARG A 67 12.128 -8.719 -3.900 1.00 0.00 C ATOM 988 C ARG A 67 13.603 -8.950 -4.147 1.00 0.00 C ATOM 989 O ARG A 67 13.996 -9.763 -4.983 1.00 0.00 O ATOM 990 CB ARG A 67 11.480 -9.972 -3.324 1.00 0.00 C ATOM 991 CG ARG A 67 11.123 -9.853 -1.850 1.00 0.00 C ATOM 992 CD ARG A 67 10.898 -11.217 -1.221 1.00 0.00 C ATOM 993 NE ARG A 67 9.616 -11.288 -0.525 1.00 0.00 N ATOM 994 CZ ARG A 67 8.466 -11.566 -1.129 1.00 0.00 C ATOM 995 NH1 ARG A 67 8.439 -11.802 -2.432 1.00 0.00 N ATOM 996 NH2 ARG A 67 7.339 -11.607 -0.430 1.00 0.00 N ATOM 0 H ARG A 67 10.429 -8.341 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 67 12.035 -7.910 -3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.576 -10.196 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.158 -10.815 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.923 -9.335 -1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.223 -9.247 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.935 -11.984 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.705 -11.432 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 67 9.603 -11.115 0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.303 -11.771 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.555 -12.015 -2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.354 -11.425 0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.457 -11.821 -0.896 1.00 0.00 H new ATOM 1010 N VAL A 68 14.406 -8.219 -3.405 1.00 0.00 N ATOM 1011 CA VAL A 68 15.850 -8.312 -3.511 1.00 0.00 C ATOM 1012 C VAL A 68 16.450 -8.646 -2.162 1.00 0.00 C ATOM 1013 O VAL A 68 17.397 -8.006 -1.722 1.00 0.00 O ATOM 1014 CB VAL A 68 16.471 -6.992 -4.018 1.00 0.00 C ATOM 1015 CG1 VAL A 68 15.756 -6.481 -5.265 1.00 0.00 C ATOM 1016 CG2 VAL A 68 16.444 -5.935 -2.923 1.00 0.00 C ATOM 0 H VAL A 68 14.080 -7.545 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 68 16.072 -9.101 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 68 17.508 -7.196 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.219 -5.551 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.832 -7.225 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.706 -6.302 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.885 -5.012 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.413 -5.749 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.014 -6.287 -2.063 1.00 0.00 H new ATOM 1026 N THR A 69 15.879 -9.643 -1.502 1.00 0.00 N ATOM 1027 CA THR A 69 16.349 -10.048 -0.187 1.00 0.00 C ATOM 1028 C THR A 69 17.817 -9.697 -0.012 1.00 0.00 C ATOM 1029 O THR A 69 18.680 -10.183 -0.742 1.00 0.00 O ATOM 1030 CB THR A 69 16.150 -11.542 0.044 1.00 0.00 C ATOM 1031 OG1 THR A 69 14.773 -11.873 0.069 1.00 0.00 O ATOM 1032 CG2 THR A 69 16.763 -12.009 1.347 1.00 0.00 C ATOM 0 H THR A 69 15.091 -10.185 -1.856 1.00 0.00 H new ATOM 0 HA THR A 69 15.757 -9.505 0.550 1.00 0.00 H new ATOM 0 HB THR A 69 16.649 -12.042 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.671 -12.836 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.595 -13.079 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 69 17.834 -11.809 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 69 16.302 -11.475 2.178 1.00 0.00 H new ATOM 1040 N VAL A 70 18.086 -8.845 0.959 1.00 0.00 N ATOM 1041 CA VAL A 70 19.445 -8.415 1.241 1.00 0.00 C ATOM 1042 C VAL A 70 19.787 -8.592 2.701 1.00 0.00 C ATOM 1043 O VAL A 70 19.030 -9.178 3.475 1.00 0.00 O ATOM 1044 CB VAL A 70 19.677 -6.936 0.881 1.00 0.00 C ATOM 1045 CG1 VAL A 70 21.100 -6.724 0.386 1.00 0.00 C ATOM 1046 CG2 VAL A 70 18.677 -6.469 -0.161 1.00 0.00 C ATOM 0 H VAL A 70 17.379 -8.435 1.569 1.00 0.00 H new ATOM 0 HA VAL A 70 20.086 -9.043 0.622 1.00 0.00 H new ATOM 0 HB VAL A 70 19.531 -6.341 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 70 21.246 -5.673 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 70 21.804 -7.012 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 70 21.272 -7.335 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 70 18.862 -5.421 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 70 18.785 -7.070 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 70 17.666 -6.580 0.230 1.00 0.00 H new ATOM 1056 N MET A 71 20.935 -8.060 3.061 1.00 0.00 N ATOM 1057 CA MET A 71 21.418 -8.117 4.419 1.00 0.00 C ATOM 1058 C MET A 71 21.233 -9.491 5.035 1.00 0.00 C ATOM 1059 O MET A 71 21.626 -10.508 4.462 1.00 0.00 O ATOM 1060 CB MET A 71 20.715 -7.074 5.268 1.00 0.00 C ATOM 1061 CG MET A 71 20.970 -5.677 4.783 1.00 0.00 C ATOM 1062 SD MET A 71 22.697 -5.190 4.971 1.00 0.00 S ATOM 1063 CE MET A 71 23.031 -5.746 6.641 1.00 0.00 C ATOM 0 H MET A 71 21.560 -7.575 2.417 1.00 0.00 H new ATOM 0 HA MET A 71 22.488 -7.909 4.391 1.00 0.00 H new ATOM 0 HB2 MET A 71 19.642 -7.268 5.263 1.00 0.00 H new ATOM 0 HB3 MET A 71 21.050 -7.164 6.301 1.00 0.00 H new ATOM 0 HG2 MET A 71 20.686 -5.602 3.733 1.00 0.00 H new ATOM 0 HG3 MET A 71 20.337 -4.982 5.335 1.00 0.00 H new ATOM 0 HE1 MET A 71 23.924 -5.248 7.018 1.00 0.00 H new ATOM 0 HE2 MET A 71 22.183 -5.504 7.282 1.00 0.00 H new ATOM 0 HE3 MET A 71 23.189 -6.824 6.641 1.00 0.00 H new ATOM 1073 N GLY A 72 20.642 -9.500 6.220 1.00 0.00 N ATOM 1074 CA GLY A 72 20.416 -10.729 6.932 1.00 0.00 C ATOM 1075 C GLY A 72 19.225 -11.512 6.415 1.00 0.00 C ATOM 1076 O GLY A 72 18.786 -12.472 7.050 1.00 0.00 O ATOM 0 H GLY A 72 20.313 -8.663 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 72 21.309 -11.351 6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.265 -10.506 7.988 1.00 0.00 H new ATOM 1080 N GLY A 73 18.697 -11.108 5.266 1.00 0.00 N ATOM 1081 CA GLY A 73 17.554 -11.795 4.698 1.00 0.00 C ATOM 1082 C GLY A 73 16.346 -10.892 4.564 1.00 0.00 C ATOM 1083 O GLY A 73 15.209 -11.363 4.538 1.00 0.00 O ATOM 0 H GLY A 73 19.040 -10.318 4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.821 -12.189 3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.298 -12.649 5.325 1.00 0.00 H new ATOM 1087 N PHE A 74 16.593 -9.590 4.474 1.00 0.00 N ATOM 1088 CA PHE A 74 15.517 -8.619 4.336 1.00 0.00 C ATOM 1089 C PHE A 74 14.686 -8.919 3.097 1.00 0.00 C ATOM 1090 O PHE A 74 14.954 -9.883 2.380 1.00 0.00 O ATOM 1091 CB PHE A 74 16.087 -7.202 4.251 1.00 0.00 C ATOM 1092 CG PHE A 74 16.609 -6.676 5.560 1.00 0.00 C ATOM 1093 CD1 PHE A 74 17.328 -7.493 6.419 1.00 0.00 C ATOM 1094 CD2 PHE A 74 16.382 -5.360 5.928 1.00 0.00 C ATOM 1095 CE1 PHE A 74 17.809 -7.006 7.620 1.00 0.00 C ATOM 1096 CE2 PHE A 74 16.860 -4.867 7.127 1.00 0.00 C ATOM 1097 CZ PHE A 74 17.575 -5.691 7.974 1.00 0.00 C ATOM 0 H PHE A 74 17.528 -9.184 4.494 1.00 0.00 H new ATOM 0 HA PHE A 74 14.876 -8.690 5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 74 16.893 -7.189 3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 74 15.311 -6.530 3.884 1.00 0.00 H new ATOM 0 HD1 PHE A 74 17.514 -8.521 6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 74 15.824 -4.711 5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.367 -7.653 8.281 1.00 0.00 H new ATOM 0 HE2 PHE A 74 16.675 -3.839 7.401 1.00 0.00 H new ATOM 0 HZ PHE A 74 17.951 -5.308 8.911 1.00 0.00 H new ATOM 1107 N LYS A 75 13.677 -8.093 2.846 1.00 0.00 N ATOM 1108 CA LYS A 75 12.816 -8.284 1.688 1.00 0.00 C ATOM 1109 C LYS A 75 12.053 -7.006 1.343 1.00 0.00 C ATOM 1110 O LYS A 75 11.121 -6.615 2.047 1.00 0.00 O ATOM 1111 CB LYS A 75 11.834 -9.428 1.942 1.00 0.00 C ATOM 1112 CG LYS A 75 12.514 -10.748 2.270 1.00 0.00 C ATOM 1113 CD LYS A 75 11.543 -11.911 2.177 1.00 0.00 C ATOM 1114 CE LYS A 75 11.454 -12.671 3.490 1.00 0.00 C ATOM 1115 NZ LYS A 75 12.270 -13.916 3.468 1.00 0.00 N ATOM 0 H LYS A 75 13.437 -7.289 3.426 1.00 0.00 H new ATOM 0 HA LYS A 75 13.451 -8.537 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.174 -9.154 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.207 -9.560 1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.345 -10.911 1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.934 -10.703 3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.555 -11.540 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.861 -12.589 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.792 -12.030 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.413 -12.923 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.182 -14.405 4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.931 -14.540 2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.267 -13.674 3.299 1.00 0.00 H new ATOM 1129 N VAL A 76 12.456 -6.369 0.248 1.00 0.00 N ATOM 1130 CA VAL A 76 11.820 -5.137 -0.223 1.00 0.00 C ATOM 1131 C VAL A 76 10.901 -5.440 -1.357 1.00 0.00 C ATOM 1132 O VAL A 76 10.492 -4.544 -2.096 1.00 0.00 O ATOM 1133 CB VAL A 76 12.876 -4.135 -0.744 1.00 0.00 C ATOM 1134 CG1 VAL A 76 13.703 -3.591 0.418 1.00 0.00 C ATOM 1135 CG2 VAL A 76 13.759 -4.888 -1.737 1.00 0.00 C ATOM 0 H VAL A 76 13.228 -6.688 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 76 11.277 -4.707 0.619 1.00 0.00 H new ATOM 0 HB VAL A 76 12.402 -3.283 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.443 -2.886 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.047 -3.083 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.210 -4.415 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.521 -4.215 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.241 -5.726 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.147 -5.262 -2.558 1.00 0.00 H new ATOM 1145 N GLU A 77 10.614 -6.712 -1.512 1.00 0.00 N ATOM 1146 CA GLU A 77 9.774 -7.154 -2.617 1.00 0.00 C ATOM 1147 C GLU A 77 9.953 -6.127 -3.705 1.00 0.00 C ATOM 1148 O GLU A 77 9.000 -5.679 -4.335 1.00 0.00 O ATOM 1149 CB GLU A 77 8.309 -7.242 -2.187 1.00 0.00 C ATOM 1150 CG GLU A 77 8.082 -6.873 -0.733 1.00 0.00 C ATOM 1151 CD GLU A 77 8.511 -7.973 0.219 1.00 0.00 C ATOM 1152 OE1 GLU A 77 9.727 -8.248 0.299 1.00 0.00 O ATOM 1153 OE2 GLU A 77 7.631 -8.561 0.883 1.00 0.00 O ATOM 0 H GLU A 77 10.942 -7.457 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 77 10.056 -8.150 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.713 -6.583 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.949 -8.257 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.634 -5.962 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.026 -6.654 -0.578 1.00 0.00 H new ATOM 1160 N ASN A 78 11.213 -5.708 -3.831 1.00 0.00 N ATOM 1161 CA ASN A 78 11.602 -4.651 -4.732 1.00 0.00 C ATOM 1162 C ASN A 78 10.385 -4.192 -5.496 1.00 0.00 C ATOM 1163 O ASN A 78 10.207 -4.486 -6.677 1.00 0.00 O ATOM 1164 CB ASN A 78 12.722 -5.049 -5.663 1.00 0.00 C ATOM 1165 CG ASN A 78 13.285 -3.805 -6.289 1.00 0.00 C ATOM 1166 OD1 ASN A 78 13.733 -2.898 -5.590 1.00 0.00 O ATOM 1167 ND2 ASN A 78 13.263 -3.748 -7.597 1.00 0.00 N ATOM 0 H ASN A 78 11.990 -6.103 -3.301 1.00 0.00 H new ATOM 0 HA ASN A 78 12.000 -3.828 -4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.499 -5.582 -5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.352 -5.727 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.881 -4.526 -8.135 1.00 0.00 H new ATOM 1172 N HIS A 79 9.523 -3.523 -4.760 1.00 0.00 N ATOM 1173 CA HIS A 79 8.254 -3.053 -5.271 1.00 0.00 C ATOM 1174 C HIS A 79 8.330 -2.450 -6.646 1.00 0.00 C ATOM 1175 O HIS A 79 9.036 -1.481 -6.910 1.00 0.00 O ATOM 1176 CB HIS A 79 7.618 -2.076 -4.300 1.00 0.00 C ATOM 1177 CG HIS A 79 7.338 -2.730 -3.003 1.00 0.00 C ATOM 1178 ND1 HIS A 79 6.744 -2.121 -1.933 1.00 0.00 N ATOM 1179 CD2 HIS A 79 7.623 -3.988 -2.621 1.00 0.00 C ATOM 1180 CE1 HIS A 79 6.694 -3.011 -0.933 1.00 0.00 C ATOM 1181 NE2 HIS A 79 7.215 -4.169 -1.302 1.00 0.00 N ATOM 0 H HIS A 79 9.686 -3.288 -3.781 1.00 0.00 H new ATOM 0 HA HIS A 79 7.628 -3.940 -5.368 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.281 -1.225 -4.147 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.692 -1.687 -4.723 1.00 0.00 H new ATOM 0 HD1 HIS A 79 6.400 -1.161 -1.902 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.093 -4.738 -3.239 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.283 -2.809 0.045 1.00 0.00 H new ATOM 1189 N THR A 80 7.544 -3.039 -7.504 1.00 0.00 N ATOM 1190 CA THR A 80 7.427 -2.589 -8.875 1.00 0.00 C ATOM 1191 C THR A 80 6.055 -1.975 -9.076 1.00 0.00 C ATOM 1192 O THR A 80 5.825 -1.213 -10.016 1.00 0.00 O ATOM 1193 CB THR A 80 7.652 -3.754 -9.820 1.00 0.00 C ATOM 1194 OG1 THR A 80 6.437 -4.428 -10.094 1.00 0.00 O ATOM 1195 CG2 THR A 80 8.621 -4.750 -9.245 1.00 0.00 C ATOM 0 H THR A 80 6.963 -3.846 -7.278 1.00 0.00 H new ATOM 0 HA THR A 80 8.184 -1.834 -9.089 1.00 0.00 H new ATOM 0 HB THR A 80 8.062 -3.335 -10.739 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.530 -4.947 -10.920 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.759 -5.571 -9.948 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.579 -4.263 -9.064 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.228 -5.139 -8.305 1.00 0.00 H new ATOM 1203 N ALA A 81 5.148 -2.307 -8.162 1.00 0.00 N ATOM 1204 CA ALA A 81 3.791 -1.781 -8.209 1.00 0.00 C ATOM 1205 C ALA A 81 3.115 -1.922 -6.855 1.00 0.00 C ATOM 1206 O ALA A 81 3.378 -2.874 -6.124 1.00 0.00 O ATOM 1207 CB ALA A 81 2.982 -2.493 -9.282 1.00 0.00 C ATOM 0 H ALA A 81 5.330 -2.938 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 81 3.842 -0.721 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.970 -2.088 -9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.454 -2.343 -10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.941 -3.559 -9.059 1.00 0.00 H new ATOM 1213 N CYS A 82 2.242 -0.975 -6.527 1.00 0.00 N ATOM 1214 CA CYS A 82 1.520 -1.001 -5.260 1.00 0.00 C ATOM 1215 C CYS A 82 0.022 -0.841 -5.504 1.00 0.00 C ATOM 1216 O CYS A 82 -0.390 -0.216 -6.482 1.00 0.00 O ATOM 1217 CB CYS A 82 2.023 0.106 -4.331 1.00 0.00 C ATOM 1218 SG CYS A 82 2.507 -0.468 -2.666 1.00 0.00 S ATOM 0 H CYS A 82 2.017 -0.178 -7.123 1.00 0.00 H new ATOM 0 HA CYS A 82 1.699 -1.963 -4.781 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.879 0.593 -4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.243 0.861 -4.229 1.00 0.00 H new ATOM 1223 N HIS A 83 -0.791 -1.409 -4.620 1.00 0.00 N ATOM 1224 CA HIS A 83 -2.241 -1.324 -4.757 1.00 0.00 C ATOM 1225 C HIS A 83 -2.924 -1.335 -3.393 1.00 0.00 C ATOM 1226 O HIS A 83 -2.799 -2.296 -2.634 1.00 0.00 O ATOM 1227 CB HIS A 83 -2.766 -2.483 -5.610 1.00 0.00 C ATOM 1228 CG HIS A 83 -2.341 -3.835 -5.123 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -3.119 -4.966 -5.269 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -1.210 -4.238 -4.496 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -2.485 -6.004 -4.752 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -1.326 -5.589 -4.278 1.00 0.00 N ATOM 0 H HIS A 83 -0.473 -1.931 -3.804 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.474 -0.381 -5.252 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.855 -2.441 -5.632 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.421 -2.352 -6.636 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.373 -3.614 -4.219 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.853 -7.019 -4.723 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.628 -6.177 -3.823 1.00 0.00 H new ATOM 1241 N CYS A 84 -3.652 -0.265 -3.091 1.00 0.00 N ATOM 1242 CA CYS A 84 -4.361 -0.158 -1.820 1.00 0.00 C ATOM 1243 C CYS A 84 -5.655 -0.965 -1.861 1.00 0.00 C ATOM 1244 O CYS A 84 -6.427 -0.869 -2.816 1.00 0.00 O ATOM 1245 CB CYS A 84 -4.666 1.306 -1.502 1.00 0.00 C ATOM 1246 SG CYS A 84 -4.780 1.670 0.280 1.00 0.00 S ATOM 0 H CYS A 84 -3.767 0.539 -3.708 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.722 -0.562 -1.035 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -3.889 1.932 -1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.606 1.583 -1.980 1.00 0.00 H new ATOM 1251 N SER A 85 -5.885 -1.765 -0.826 1.00 0.00 N ATOM 1252 CA SER A 85 -7.083 -2.591 -0.754 1.00 0.00 C ATOM 1253 C SER A 85 -7.114 -3.397 0.543 1.00 0.00 C ATOM 1254 O SER A 85 -6.665 -2.925 1.587 1.00 0.00 O ATOM 1255 CB SER A 85 -7.144 -3.531 -1.961 1.00 0.00 C ATOM 1256 OG SER A 85 -6.315 -4.663 -1.769 1.00 0.00 O ATOM 0 H SER A 85 -5.258 -1.859 -0.027 1.00 0.00 H new ATOM 0 HA SER A 85 -7.953 -1.935 -0.767 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.173 -3.853 -2.123 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.832 -2.996 -2.858 1.00 0.00 H new ATOM 0 HG SER A 85 -6.373 -5.248 -2.553 1.00 0.00 H new ATOM 1262 N THR A 86 -7.647 -4.613 0.471 1.00 0.00 N ATOM 1263 CA THR A 86 -7.734 -5.477 1.642 1.00 0.00 C ATOM 1264 C THR A 86 -6.366 -5.645 2.297 1.00 0.00 C ATOM 1265 O THR A 86 -5.418 -6.114 1.666 1.00 0.00 O ATOM 1266 CB THR A 86 -8.301 -6.844 1.251 1.00 0.00 C ATOM 1267 OG1 THR A 86 -9.716 -6.832 1.302 1.00 0.00 O ATOM 1268 CG2 THR A 86 -7.820 -7.973 2.136 1.00 0.00 C ATOM 0 H THR A 86 -8.024 -5.021 -0.384 1.00 0.00 H new ATOM 0 HA THR A 86 -8.404 -5.007 2.362 1.00 0.00 H new ATOM 0 HB THR A 86 -7.941 -7.024 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.021 -7.385 2.052 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.262 -8.911 1.801 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.734 -8.042 2.079 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.118 -7.780 3.167 1.00 0.00 H new ATOM 1276 N CYS A 87 -6.270 -5.262 3.566 1.00 0.00 N ATOM 1277 CA CYS A 87 -5.017 -5.375 4.303 1.00 0.00 C ATOM 1278 C CYS A 87 -5.057 -4.534 5.577 1.00 0.00 C ATOM 1279 O CYS A 87 -4.574 -3.402 5.603 1.00 0.00 O ATOM 1280 CB CYS A 87 -3.846 -4.941 3.417 1.00 0.00 C ATOM 1281 SG CYS A 87 -2.372 -4.395 4.340 1.00 0.00 S ATOM 0 H CYS A 87 -7.043 -4.871 4.104 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.879 -6.418 4.589 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.568 -5.772 2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -4.177 -4.129 2.769 1.00 0.00 H new ATOM 1286 N TYR A 88 -5.641 -5.094 6.631 1.00 0.00 N ATOM 1287 CA TYR A 88 -5.748 -4.395 7.907 1.00 0.00 C ATOM 1288 C TYR A 88 -4.528 -4.653 8.787 1.00 0.00 C ATOM 1289 O TYR A 88 -4.658 -4.879 9.990 1.00 0.00 O ATOM 1290 CB TYR A 88 -7.016 -4.830 8.644 1.00 0.00 C ATOM 1291 CG TYR A 88 -7.175 -4.184 10.000 1.00 0.00 C ATOM 1292 CD1 TYR A 88 -6.926 -2.829 10.177 1.00 0.00 C ATOM 1293 CD2 TYR A 88 -7.572 -4.928 11.103 1.00 0.00 C ATOM 1294 CE1 TYR A 88 -7.067 -2.234 11.415 1.00 0.00 C ATOM 1295 CE2 TYR A 88 -7.717 -4.340 12.345 1.00 0.00 C ATOM 1296 CZ TYR A 88 -7.463 -2.993 12.496 1.00 0.00 C ATOM 1297 OH TYR A 88 -7.604 -2.404 13.732 1.00 0.00 O ATOM 0 H TYR A 88 -6.047 -6.030 6.627 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.798 -3.327 7.697 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.884 -4.588 8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.003 -5.913 8.765 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.617 -2.231 9.332 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.771 -5.983 10.988 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.868 -1.179 11.536 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.028 -4.932 13.193 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.890 -3.077 14.384 1.00 0.00 H new ATOM 1307 N TYR A 89 -3.344 -4.616 8.185 1.00 0.00 N ATOM 1308 CA TYR A 89 -2.107 -4.844 8.926 1.00 0.00 C ATOM 1309 C TYR A 89 -0.915 -4.207 8.218 1.00 0.00 C ATOM 1310 O TYR A 89 -1.018 -3.780 7.068 1.00 0.00 O ATOM 1311 CB TYR A 89 -1.861 -6.344 9.100 1.00 0.00 C ATOM 1312 CG TYR A 89 -2.503 -6.930 10.338 1.00 0.00 C ATOM 1313 CD1 TYR A 89 -2.610 -6.192 11.512 1.00 0.00 C ATOM 1314 CD2 TYR A 89 -3.006 -8.224 10.331 1.00 0.00 C ATOM 1315 CE1 TYR A 89 -3.199 -6.729 12.642 1.00 0.00 C ATOM 1316 CE2 TYR A 89 -3.596 -8.768 11.455 1.00 0.00 C ATOM 1317 CZ TYR A 89 -3.691 -8.017 12.608 1.00 0.00 C ATOM 1318 OH TYR A 89 -4.281 -8.556 13.728 1.00 0.00 O ATOM 0 H TYR A 89 -3.214 -4.431 7.190 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.215 -4.379 9.906 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.240 -6.869 8.223 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.787 -6.524 9.140 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.227 -5.183 11.542 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.935 -8.816 9.430 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.273 -6.143 13.546 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.981 -9.777 11.431 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.575 -9.471 13.535 1.00 0.00 H new ATOM 1328 N HIS A 90 0.216 -4.151 8.914 1.00 0.00 N ATOM 1329 CA HIS A 90 1.433 -3.573 8.355 1.00 0.00 C ATOM 1330 C HIS A 90 2.409 -3.180 9.459 1.00 0.00 C ATOM 1331 O HIS A 90 2.134 -3.374 10.643 1.00 0.00 O ATOM 1332 CB HIS A 90 1.099 -2.356 7.489 1.00 0.00 C ATOM 1333 CG HIS A 90 1.147 -2.644 6.020 1.00 0.00 C ATOM 1334 ND1 HIS A 90 1.142 -3.922 5.506 1.00 0.00 N ATOM 1335 CD2 HIS A 90 1.200 -1.811 4.952 1.00 0.00 C ATOM 1336 CE1 HIS A 90 1.191 -3.866 4.187 1.00 0.00 C ATOM 1337 NE2 HIS A 90 1.227 -2.597 3.826 1.00 0.00 N ATOM 0 H HIS A 90 0.315 -4.499 9.868 1.00 0.00 H new ATOM 0 HA HIS A 90 1.909 -4.330 7.731 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.104 -1.995 7.749 1.00 0.00 H new ATOM 0 HB3 HIS A 90 1.799 -1.553 7.718 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.218 -0.732 4.981 1.00 0.00 H new ATOM 0 HE1 HIS A 90 1.200 -4.714 3.518 1.00 0.00 H new ATOM 0 HE2 HIS A 90 1.268 -2.255 2.866 1.00 0.00 H new ATOM 1346 N LYS A 91 3.553 -2.632 9.061 1.00 0.00 N ATOM 1347 CA LYS A 91 4.575 -2.215 10.014 1.00 0.00 C ATOM 1348 C LYS A 91 4.012 -1.210 11.015 1.00 0.00 C ATOM 1349 O LYS A 91 4.608 -0.963 12.063 1.00 0.00 O ATOM 1350 CB LYS A 91 5.767 -1.603 9.276 1.00 0.00 C ATOM 1351 CG LYS A 91 6.718 -0.840 10.185 1.00 0.00 C ATOM 1352 CD LYS A 91 8.161 -0.976 9.727 1.00 0.00 C ATOM 1353 CE LYS A 91 9.133 -0.725 10.868 1.00 0.00 C ATOM 1354 NZ LYS A 91 9.629 -1.996 11.466 1.00 0.00 N ATOM 0 H LYS A 91 3.795 -2.466 8.084 1.00 0.00 H new ATOM 0 HA LYS A 91 4.907 -3.097 10.562 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.318 -2.397 8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.398 -0.930 8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.439 0.214 10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.623 -1.211 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.323 -1.975 9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.356 -0.270 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.978 -0.142 10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.643 -0.129 11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.289 -1.781 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.825 -2.542 11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.119 -2.554 10.738 1.00 0.00 H new ATOM 1368 N SER A 92 2.860 -0.636 10.683 1.00 0.00 N ATOM 1369 CA SER A 92 2.215 0.342 11.552 1.00 0.00 C ATOM 1370 C SER A 92 2.809 1.731 11.343 1.00 0.00 C ATOM 1371 O SER A 92 3.105 2.406 12.352 1.00 0.00 O ATOM 1372 CB SER A 92 2.360 -0.073 13.017 1.00 0.00 C ATOM 1373 OG SER A 92 3.533 0.479 13.590 1.00 0.00 O ATOM 1374 OXT SER A 92 2.975 2.133 10.172 1.00 0.00 O ATOM 0 H SER A 92 2.354 -0.831 9.819 1.00 0.00 H new ATOM 0 HA SER A 92 1.156 0.377 11.295 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.487 0.257 13.580 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.393 -1.160 13.089 1.00 0.00 H new ATOM 0 HG SER A 92 4.317 -0.017 13.273 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 -14.113 -12.521 2.543 1.00 0.00 C HETATM 1382 C2 NAG A1052 -13.659 -13.923 2.153 1.00 0.00 C HETATM 1383 C3 NAG A1052 -12.203 -13.910 1.723 1.00 0.00 C HETATM 1384 C4 NAG A1052 -11.982 -12.862 0.651 1.00 0.00 C HETATM 1385 C5 NAG A1052 -12.502 -11.510 1.113 1.00 0.00 C HETATM 1386 C6 NAG A1052 -12.387 -10.450 0.037 1.00 0.00 C HETATM 1387 C7 NAG A1052 -13.162 -14.571 4.422 1.00 0.00 C HETATM 1388 C8 NAG A1052 -13.379 -15.543 5.572 1.00 0.00 C HETATM 1389 N2 NAG A1052 -13.814 -14.811 3.289 1.00 0.00 N HETATM 1390 O3 NAG A1052 -11.857 -15.187 1.207 1.00 0.00 O HETATM 1391 O4 NAG A1052 -10.593 -12.759 0.376 1.00 0.00 O HETATM 1392 O5 NAG A1052 -13.893 -11.592 1.473 1.00 0.00 O HETATM 1393 O6 NAG A1052 -11.035 -10.250 -0.347 1.00 0.00 O HETATM 1394 O7 NAG A1052 -12.406 -13.611 4.566 1.00 0.00 O HETATM 0 HO6 NAG A1052 -10.991 -9.562 -1.044 1.00 0.00 H new HETATM 0 HO4 NAG A1052 -10.407 -11.897 -0.052 1.00 0.00 H new HETATM 0 HO3 NAG A1052 -10.918 -15.183 0.926 1.00 0.00 H new HETATM 0 HN2 NAG A1052 -14.426 -15.624 3.218 1.00 0.00 H new HETATM 0 H83 NAG A1052 -14.435 -15.556 5.843 1.00 0.00 H new HETATM 0 H82 NAG A1052 -13.070 -16.543 5.267 1.00 0.00 H new HETATM 0 H81 NAG A1052 -12.788 -15.227 6.432 1.00 0.00 H new HETATM 0 H62 NAG A1052 -12.974 -10.746 -0.832 1.00 0.00 H new HETATM 0 H61 NAG A1052 -12.807 -9.512 0.401 1.00 0.00 H new HETATM 0 H5 NAG A1052 -11.887 -11.234 1.969 1.00 0.00 H new HETATM 0 H4 NAG A1052 -12.522 -13.159 -0.248 1.00 0.00 H new HETATM 0 H3 NAG A1052 -11.580 -13.673 2.585 1.00 0.00 H new HETATM 0 H2 NAG A1052 -14.270 -14.271 1.320 1.00 0.00 H new HETATM 1404 C1 NAG A1078 13.662 -2.538 -8.259 1.00 0.00 C HETATM 1405 C2 NAG A1078 14.886 -2.801 -9.125 1.00 0.00 C HETATM 1406 C3 NAG A1078 15.271 -1.546 -9.884 1.00 0.00 C HETATM 1407 C4 NAG A1078 14.079 -0.998 -10.643 1.00 0.00 C HETATM 1408 C5 NAG A1078 12.885 -0.824 -9.717 1.00 0.00 C HETATM 1409 C6 NAG A1078 11.637 -0.395 -10.462 1.00 0.00 C HETATM 1410 C7 NAG A1078 16.560 -4.406 -8.477 1.00 0.00 C HETATM 1411 C8 NAG A1078 17.728 -4.775 -7.577 1.00 0.00 C HETATM 1412 N2 NAG A1078 15.996 -3.217 -8.292 1.00 0.00 N HETATM 1413 O3 NAG A1078 16.308 -1.855 -10.803 1.00 0.00 O HETATM 1414 O4 NAG A1078 14.422 0.262 -11.201 1.00 0.00 O HETATM 1415 O5 NAG A1078 12.570 -2.054 -9.053 1.00 0.00 O HETATM 1416 O6 NAG A1078 11.339 -1.289 -11.523 1.00 0.00 O HETATM 1417 O7 NAG A1078 16.176 -5.200 -9.336 1.00 0.00 O HETATM 0 HO6 NAG A1078 10.529 -0.989 -11.985 1.00 0.00 H new HETATM 0 HO4 NAG A1078 13.808 0.473 -11.935 1.00 0.00 H new HETATM 0 HO3 NAG A1078 16.559 -1.047 -11.297 1.00 0.00 H new HETATM 0 HN2 NAG A1078 16.345 -2.596 -7.562 1.00 0.00 H new HETATM 0 H83 NAG A1078 18.532 -4.051 -7.709 1.00 0.00 H new HETATM 0 H82 NAG A1078 17.402 -4.769 -6.537 1.00 0.00 H new HETATM 0 H81 NAG A1078 18.089 -5.770 -7.839 1.00 0.00 H new HETATM 0 H62 NAG A1078 10.795 -0.353 -9.771 1.00 0.00 H new HETATM 0 H61 NAG A1078 11.775 0.611 -10.859 1.00 0.00 H new HETATM 0 H5 NAG A1078 13.174 -0.052 -9.004 1.00 0.00 H new HETATM 0 H4 NAG A1078 13.812 -1.702 -11.431 1.00 0.00 H new HETATM 0 H3 NAG A1078 15.612 -0.794 -9.172 1.00 0.00 H new HETATM 0 H2 NAG A1078 14.647 -3.591 -9.837 1.00 0.00 H new