USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Set 1.1: A 44 MET CE :methyl -175:sc= -0.0212 (180deg=-0.00821) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -1.23 K(o=-1.3,f=-5.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0797) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 150:sc= 0 USER MOD Single : A 7 THR OG1 : rot -67:sc= 1.17 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 12 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.31) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 81:sc= 0.683 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0316) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 70:sc= 0.572 USER MOD Single : A 46 TYR OH : rot 0:sc= 1.12 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0.769 (180deg=0.769) USER MOD Single : A 52 ASN :FLIP amide:sc=-0.00615 F(o=-0.78,f=-0.0061) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= -0.0145 (180deg=-0.155) USER MOD Single : A 54 MET CE :methyl -166:sc= -1.21 (180deg=-1.53) USER MOD Single : A 55 GLN : amide:sc= -0.286 K(o=-0.29,f=-0.91) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.467 K(o=0.47,f=-1.5) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.255 F(o=-0.91,f=0.26) USER MOD Single : A 71 GLN : amide:sc= -1.61 K(o=-1.6,f=-9.1!) USER MOD Single : A 74 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.8!) USER MOD Single : A 83 THR OG1 : rot 84:sc= 0.36 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -0.0269 (180deg=-0.176) USER MOD Single : A 92 ASN : amide:sc= -0.0239 K(o=-0.024,f=-2.1) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.645 USER MOD Single : A 95 ASN : amide:sc=-0.000736 X(o=-0.00074,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.0542 K(o=0.054,f=-9.7!) USER MOD Single : A 106 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0556) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 110 LYS NZ :NH3+ 161:sc= -0.0829 (180deg=-0.511) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.523 K(o=0.52,f=-0.51) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -133:sc= 0.71 (180deg=-0.0894) USER MOD Single : A 119 SER OG : rot 44:sc= -2.17! USER MOD Single : A 121 LYS NZ :NH3+ 172:sc= -0.0223 (180deg=-0.174) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.491 7.849 -17.139 1.00 0.00 N ATOM 2 CA MET A 1 14.440 7.184 -16.336 1.00 0.00 C ATOM 3 C MET A 1 14.313 7.861 -14.981 1.00 0.00 C ATOM 4 O MET A 1 15.122 7.629 -14.082 1.00 0.00 O ATOM 5 CB MET A 1 14.764 5.699 -16.151 1.00 0.00 C ATOM 6 CG MET A 1 14.758 4.900 -17.443 1.00 0.00 C ATOM 7 SD MET A 1 13.146 4.903 -18.250 1.00 0.00 S ATOM 8 CE MET A 1 13.470 3.859 -19.670 1.00 0.00 C ATOM 0 H1 MET A 1 15.468 7.483 -18.112 1.00 0.00 H new ATOM 0 H2 MET A 1 15.322 8.875 -17.151 1.00 0.00 H new ATOM 0 H3 MET A 1 16.423 7.657 -16.719 1.00 0.00 H new ATOM 0 HA MET A 1 13.492 7.269 -16.867 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.744 5.607 -15.683 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.040 5.263 -15.463 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.502 5.312 -18.124 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.053 3.872 -17.232 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.563 3.766 -20.268 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.260 4.303 -20.276 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.784 2.872 -19.332 1.00 0.00 H new ATOM 20 N GLU A 2 13.303 8.705 -14.836 1.00 0.00 N ATOM 21 CA GLU A 2 13.102 9.443 -13.601 1.00 0.00 C ATOM 22 C GLU A 2 12.025 8.795 -12.748 1.00 0.00 C ATOM 23 O GLU A 2 10.893 8.598 -13.196 1.00 0.00 O ATOM 24 CB GLU A 2 12.717 10.891 -13.888 1.00 0.00 C ATOM 25 CG GLU A 2 13.729 11.653 -14.719 1.00 0.00 C ATOM 26 CD GLU A 2 13.344 13.105 -14.895 1.00 0.00 C ATOM 27 OE1 GLU A 2 13.741 13.937 -14.051 1.00 0.00 O ATOM 28 OE2 GLU A 2 12.642 13.430 -15.878 1.00 0.00 O ATOM 0 H GLU A 2 12.610 8.895 -15.560 1.00 0.00 H new ATOM 0 HA GLU A 2 14.045 9.426 -13.055 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.757 10.904 -14.404 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.576 11.412 -12.941 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.707 11.593 -14.242 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.822 11.182 -15.698 1.00 0.00 H new ATOM 35 N PHE A 3 12.389 8.452 -11.528 1.00 0.00 N ATOM 36 CA PHE A 3 11.433 7.952 -10.559 1.00 0.00 C ATOM 37 C PHE A 3 11.036 9.067 -9.609 1.00 0.00 C ATOM 38 O PHE A 3 11.891 9.756 -9.052 1.00 0.00 O ATOM 39 CB PHE A 3 12.015 6.772 -9.778 1.00 0.00 C ATOM 40 CG PHE A 3 11.082 6.229 -8.732 1.00 0.00 C ATOM 41 CD1 PHE A 3 11.232 6.578 -7.398 1.00 0.00 C ATOM 42 CD2 PHE A 3 10.051 5.379 -9.084 1.00 0.00 C ATOM 43 CE1 PHE A 3 10.368 6.086 -6.437 1.00 0.00 C ATOM 44 CE2 PHE A 3 9.185 4.883 -8.129 1.00 0.00 C ATOM 45 CZ PHE A 3 9.343 5.237 -6.804 1.00 0.00 C ATOM 0 H PHE A 3 13.347 8.511 -11.182 1.00 0.00 H new ATOM 0 HA PHE A 3 10.549 7.602 -11.091 1.00 0.00 H new ATOM 0 HB2 PHE A 3 12.270 5.974 -10.476 1.00 0.00 H new ATOM 0 HB3 PHE A 3 12.943 7.085 -9.299 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.033 7.242 -7.107 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.921 5.099 -10.119 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.495 6.365 -5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 3 8.385 4.218 -8.419 1.00 0.00 H new ATOM 0 HZ PHE A 3 8.666 4.851 -6.056 1.00 0.00 H new ATOM 55 N THR A 4 9.745 9.250 -9.436 1.00 0.00 N ATOM 56 CA THR A 4 9.234 10.275 -8.545 1.00 0.00 C ATOM 57 C THR A 4 8.585 9.639 -7.328 1.00 0.00 C ATOM 58 O THR A 4 7.657 8.837 -7.453 1.00 0.00 O ATOM 59 CB THR A 4 8.204 11.170 -9.251 1.00 0.00 C ATOM 60 OG1 THR A 4 8.349 11.063 -10.675 1.00 0.00 O ATOM 61 CG2 THR A 4 8.393 12.614 -8.833 1.00 0.00 C ATOM 0 H THR A 4 9.024 8.700 -9.903 1.00 0.00 H new ATOM 0 HA THR A 4 10.079 10.890 -8.236 1.00 0.00 H new ATOM 0 HB THR A 4 7.205 10.840 -8.965 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.687 11.636 -11.115 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.657 13.239 -9.340 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.261 12.701 -7.754 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.396 12.943 -9.104 1.00 0.00 H new ATOM 69 N VAL A 5 9.083 9.987 -6.154 1.00 0.00 N ATOM 70 CA VAL A 5 8.504 9.484 -4.921 1.00 0.00 C ATOM 71 C VAL A 5 7.244 10.277 -4.605 1.00 0.00 C ATOM 72 O VAL A 5 7.181 11.491 -4.817 1.00 0.00 O ATOM 73 CB VAL A 5 9.485 9.525 -3.713 1.00 0.00 C ATOM 74 CG1 VAL A 5 10.916 9.300 -4.168 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.369 10.809 -2.906 1.00 0.00 C ATOM 0 H VAL A 5 9.880 10.611 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 5 8.267 8.432 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 5 9.198 8.710 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.582 9.333 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.996 8.326 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.200 10.079 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.076 10.783 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.592 11.663 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.356 10.903 -2.516 1.00 0.00 H new ATOM 85 N SER A 6 6.231 9.576 -4.142 1.00 0.00 N ATOM 86 CA SER A 6 4.951 10.192 -3.848 1.00 0.00 C ATOM 87 C SER A 6 4.916 10.698 -2.410 1.00 0.00 C ATOM 88 O SER A 6 4.785 9.912 -1.474 1.00 0.00 O ATOM 89 CB SER A 6 3.830 9.179 -4.079 1.00 0.00 C ATOM 90 OG SER A 6 3.925 8.608 -5.373 1.00 0.00 O ATOM 0 H SER A 6 6.268 8.573 -3.960 1.00 0.00 H new ATOM 0 HA SER A 6 4.809 11.044 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.883 8.393 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.863 9.668 -3.963 1.00 0.00 H new ATOM 0 HG SER A 6 3.569 7.695 -5.355 1.00 0.00 H new ATOM 96 N THR A 7 5.059 12.005 -2.234 1.00 0.00 N ATOM 97 CA THR A 7 4.962 12.603 -0.912 1.00 0.00 C ATOM 98 C THR A 7 3.500 12.718 -0.496 1.00 0.00 C ATOM 99 O THR A 7 2.608 12.360 -1.268 1.00 0.00 O ATOM 100 CB THR A 7 5.616 14.001 -0.867 1.00 0.00 C ATOM 101 OG1 THR A 7 4.965 14.881 -1.795 1.00 0.00 O ATOM 102 CG2 THR A 7 7.099 13.919 -1.192 1.00 0.00 C ATOM 0 H THR A 7 5.242 12.668 -2.988 1.00 0.00 H new ATOM 0 HA THR A 7 5.497 11.953 -0.219 1.00 0.00 H new ATOM 0 HB THR A 7 5.504 14.394 0.143 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.139 14.578 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.536 14.917 -1.153 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.596 13.277 -0.465 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.230 13.504 -2.191 1.00 0.00 H new ATOM 110 N THR A 8 3.246 13.212 0.707 1.00 0.00 N ATOM 111 CA THR A 8 1.884 13.383 1.189 1.00 0.00 C ATOM 112 C THR A 8 1.069 14.252 0.226 1.00 0.00 C ATOM 113 O THR A 8 -0.092 13.954 -0.073 1.00 0.00 O ATOM 114 CB THR A 8 1.881 14.025 2.582 1.00 0.00 C ATOM 115 OG1 THR A 8 2.859 13.380 3.408 1.00 0.00 O ATOM 116 CG2 THR A 8 0.509 13.911 3.225 1.00 0.00 C ATOM 0 H THR A 8 3.967 13.502 1.368 1.00 0.00 H new ATOM 0 HA THR A 8 1.427 12.395 1.248 1.00 0.00 H new ATOM 0 HB THR A 8 2.126 15.082 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.858 13.791 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.530 14.373 4.212 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.228 14.419 2.603 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.239 12.859 3.322 1.00 0.00 H new ATOM 124 N GLU A 9 1.706 15.304 -0.282 1.00 0.00 N ATOM 125 CA GLU A 9 1.067 16.234 -1.204 1.00 0.00 C ATOM 126 C GLU A 9 0.645 15.532 -2.492 1.00 0.00 C ATOM 127 O GLU A 9 -0.366 15.880 -3.102 1.00 0.00 O ATOM 128 CB GLU A 9 2.016 17.379 -1.527 1.00 0.00 C ATOM 129 CG GLU A 9 2.452 18.159 -0.302 1.00 0.00 C ATOM 130 CD GLU A 9 3.381 19.303 -0.641 1.00 0.00 C ATOM 131 OE1 GLU A 9 2.889 20.376 -1.046 1.00 0.00 O ATOM 132 OE2 GLU A 9 4.609 19.138 -0.501 1.00 0.00 O ATOM 0 H GLU A 9 2.676 15.534 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 9 0.172 16.628 -0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.898 16.981 -2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.530 18.058 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.571 18.550 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.951 17.485 0.395 1.00 0.00 H new ATOM 139 N ASP A 10 1.428 14.547 -2.901 1.00 0.00 N ATOM 140 CA ASP A 10 1.124 13.778 -4.100 1.00 0.00 C ATOM 141 C ASP A 10 0.073 12.725 -3.789 1.00 0.00 C ATOM 142 O ASP A 10 -0.824 12.464 -4.592 1.00 0.00 O ATOM 143 CB ASP A 10 2.378 13.091 -4.651 1.00 0.00 C ATOM 144 CG ASP A 10 3.524 14.048 -4.904 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.537 13.976 -4.176 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.419 14.880 -5.829 1.00 0.00 O ATOM 0 H ASP A 10 2.281 14.260 -2.420 1.00 0.00 H new ATOM 0 HA ASP A 10 0.746 14.469 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.703 12.325 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.126 12.583 -5.582 1.00 0.00 H new ATOM 151 N LEU A 11 0.183 12.141 -2.603 1.00 0.00 N ATOM 152 CA LEU A 11 -0.701 11.066 -2.184 1.00 0.00 C ATOM 153 C LEU A 11 -2.149 11.536 -2.098 1.00 0.00 C ATOM 154 O LEU A 11 -3.066 10.807 -2.468 1.00 0.00 O ATOM 155 CB LEU A 11 -0.241 10.493 -0.840 1.00 0.00 C ATOM 156 CG LEU A 11 -1.109 9.366 -0.293 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.034 8.158 -1.206 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.680 9.003 1.120 1.00 0.00 C ATOM 0 H LEU A 11 0.884 12.399 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.653 10.280 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.780 10.126 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.214 11.300 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.144 9.706 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.658 7.359 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.388 8.431 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.002 7.814 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.310 8.197 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.360 8.677 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.782 9.875 1.767 1.00 0.00 H new ATOM 170 N GLN A 12 -2.351 12.769 -1.634 1.00 0.00 N ATOM 171 CA GLN A 12 -3.699 13.314 -1.477 1.00 0.00 C ATOM 172 C GLN A 12 -4.385 13.458 -2.836 1.00 0.00 C ATOM 173 O GLN A 12 -5.615 13.422 -2.935 1.00 0.00 O ATOM 174 CB GLN A 12 -3.655 14.663 -0.749 1.00 0.00 C ATOM 175 CG GLN A 12 -3.202 15.827 -1.615 1.00 0.00 C ATOM 176 CD GLN A 12 -2.975 17.096 -0.819 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.605 17.321 0.214 1.00 0.00 O ATOM 178 NE2 GLN A 12 -2.075 17.937 -1.299 1.00 0.00 N ATOM 0 H GLN A 12 -1.603 13.406 -1.362 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.280 12.617 -0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.648 14.883 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.985 14.579 0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.279 15.555 -2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.951 16.015 -2.384 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.575 17.712 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.881 18.811 -0.809 1.00 0.00 H new ATOM 187 N ARG A 13 -3.578 13.604 -3.881 1.00 0.00 N ATOM 188 CA ARG A 13 -4.089 13.711 -5.238 1.00 0.00 C ATOM 189 C ARG A 13 -4.650 12.370 -5.690 1.00 0.00 C ATOM 190 O ARG A 13 -5.818 12.265 -6.070 1.00 0.00 O ATOM 191 CB ARG A 13 -2.978 14.155 -6.186 1.00 0.00 C ATOM 192 CG ARG A 13 -3.429 14.297 -7.628 1.00 0.00 C ATOM 193 CD ARG A 13 -2.265 14.623 -8.545 1.00 0.00 C ATOM 194 NE ARG A 13 -2.694 14.822 -9.928 1.00 0.00 N ATOM 195 CZ ARG A 13 -1.861 14.970 -10.957 1.00 0.00 C ATOM 196 NH1 ARG A 13 -0.548 14.894 -10.775 1.00 0.00 N ATOM 197 NH2 ARG A 13 -2.346 15.184 -12.172 1.00 0.00 N ATOM 0 H ARG A 13 -2.562 13.651 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.886 14.455 -5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.580 15.110 -5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.162 13.434 -6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.903 13.371 -7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.181 15.083 -7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.764 15.523 -8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.535 13.815 -8.505 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.696 14.849 -10.117 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.171 14.721 -9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.084 15.008 -11.567 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.354 15.235 -12.317 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.711 15.298 -12.962 1.00 0.00 H new ATOM 211 N TYR A 14 -3.812 11.341 -5.614 1.00 0.00 N ATOM 212 CA TYR A 14 -4.192 10.002 -6.047 1.00 0.00 C ATOM 213 C TYR A 14 -5.338 9.473 -5.198 1.00 0.00 C ATOM 214 O TYR A 14 -6.213 8.764 -5.691 1.00 0.00 O ATOM 215 CB TYR A 14 -2.997 9.052 -5.961 1.00 0.00 C ATOM 216 CG TYR A 14 -1.743 9.601 -6.609 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.787 10.152 -7.884 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.521 9.572 -5.947 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.650 10.663 -8.478 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.621 10.081 -6.538 1.00 0.00 C ATOM 221 CZ TYR A 14 0.550 10.626 -7.802 1.00 0.00 C ATOM 222 OH TYR A 14 1.683 11.138 -8.393 1.00 0.00 O ATOM 0 H TYR A 14 -2.860 11.410 -5.254 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.521 10.059 -7.085 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.790 8.835 -4.913 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.259 8.107 -6.437 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.725 10.181 -8.419 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.463 9.146 -4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.701 11.090 -9.469 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.564 10.052 -6.012 1.00 0.00 H new ATOM 0 HH TYR A 14 2.444 11.036 -7.784 1.00 0.00 H new ATOM 232 N ARG A 15 -5.330 9.841 -3.923 1.00 0.00 N ATOM 233 CA ARG A 15 -6.373 9.430 -3.000 1.00 0.00 C ATOM 234 C ARG A 15 -7.731 9.929 -3.483 1.00 0.00 C ATOM 235 O ARG A 15 -8.690 9.167 -3.562 1.00 0.00 O ATOM 236 CB ARG A 15 -6.048 9.932 -1.581 1.00 0.00 C ATOM 237 CG ARG A 15 -7.238 10.498 -0.808 1.00 0.00 C ATOM 238 CD ARG A 15 -6.815 11.043 0.556 1.00 0.00 C ATOM 239 NE ARG A 15 -6.089 10.047 1.345 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.327 10.338 2.400 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.205 11.593 2.819 1.00 0.00 N ATOM 242 NH2 ARG A 15 -4.692 9.373 3.042 1.00 0.00 N ATOM 0 H ARG A 15 -4.607 10.427 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.418 8.342 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.621 9.108 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.280 10.702 -1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.705 11.293 -1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.988 9.719 -0.672 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.186 11.922 0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.698 11.367 1.106 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.171 9.068 1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.696 12.343 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.620 11.806 3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.785 8.406 2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.109 9.595 3.849 1.00 0.00 H new ATOM 256 N THR A 16 -7.788 11.203 -3.851 1.00 0.00 N ATOM 257 CA THR A 16 -9.022 11.812 -4.311 1.00 0.00 C ATOM 258 C THR A 16 -9.452 11.237 -5.658 1.00 0.00 C ATOM 259 O THR A 16 -10.624 10.913 -5.861 1.00 0.00 O ATOM 260 CB THR A 16 -8.851 13.333 -4.428 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.494 13.877 -3.148 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.124 13.993 -4.930 1.00 0.00 C ATOM 0 H THR A 16 -6.987 11.835 -3.838 1.00 0.00 H new ATOM 0 HA THR A 16 -9.798 11.590 -3.579 1.00 0.00 H new ATOM 0 HB THR A 16 -8.058 13.534 -5.149 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.535 13.746 -2.993 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.971 15.070 -5.002 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.377 13.596 -5.913 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.939 13.788 -4.235 1.00 0.00 H new ATOM 270 N GLU A 17 -8.494 11.099 -6.566 1.00 0.00 N ATOM 271 CA GLU A 17 -8.767 10.565 -7.897 1.00 0.00 C ATOM 272 C GLU A 17 -9.346 9.154 -7.831 1.00 0.00 C ATOM 273 O GLU A 17 -10.262 8.812 -8.584 1.00 0.00 O ATOM 274 CB GLU A 17 -7.499 10.583 -8.750 1.00 0.00 C ATOM 275 CG GLU A 17 -7.453 11.714 -9.763 1.00 0.00 C ATOM 276 CD GLU A 17 -7.477 13.089 -9.127 1.00 0.00 C ATOM 277 OE1 GLU A 17 -8.531 13.491 -8.594 1.00 0.00 O ATOM 278 OE2 GLU A 17 -6.446 13.793 -9.187 1.00 0.00 O ATOM 0 H GLU A 17 -7.518 11.350 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.515 11.207 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.633 10.661 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.414 9.633 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.550 11.616 -10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.301 11.620 -10.441 1.00 0.00 H new ATOM 285 N CYS A 18 -8.817 8.338 -6.934 1.00 0.00 N ATOM 286 CA CYS A 18 -9.330 6.989 -6.744 1.00 0.00 C ATOM 287 C CYS A 18 -10.669 7.017 -6.019 1.00 0.00 C ATOM 288 O CYS A 18 -11.555 6.214 -6.313 1.00 0.00 O ATOM 289 CB CYS A 18 -8.324 6.122 -5.991 1.00 0.00 C ATOM 290 SG CYS A 18 -6.802 5.790 -6.934 1.00 0.00 S ATOM 0 H CYS A 18 -8.035 8.584 -6.327 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.485 6.547 -7.728 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.062 6.614 -5.054 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.796 5.174 -5.732 1.00 0.00 H new ATOM 295 N VAL A 19 -10.822 7.961 -5.095 1.00 0.00 N ATOM 296 CA VAL A 19 -12.075 8.130 -4.372 1.00 0.00 C ATOM 297 C VAL A 19 -13.210 8.456 -5.332 1.00 0.00 C ATOM 298 O VAL A 19 -14.232 7.768 -5.364 1.00 0.00 O ATOM 299 CB VAL A 19 -11.967 9.232 -3.291 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.334 9.791 -2.932 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.281 8.685 -2.053 1.00 0.00 C ATOM 0 H VAL A 19 -10.091 8.621 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.290 7.185 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.369 10.047 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.223 10.563 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.796 10.222 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.965 8.990 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.211 9.469 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.859 7.851 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.280 8.341 -2.314 1.00 0.00 H new ATOM 311 N SER A 20 -13.002 9.491 -6.127 1.00 0.00 N ATOM 312 CA SER A 20 -13.995 9.953 -7.082 1.00 0.00 C ATOM 313 C SER A 20 -14.342 8.862 -8.102 1.00 0.00 C ATOM 314 O SER A 20 -15.498 8.716 -8.502 1.00 0.00 O ATOM 315 CB SER A 20 -13.452 11.200 -7.785 1.00 0.00 C ATOM 316 OG SER A 20 -14.341 11.675 -8.782 1.00 0.00 O ATOM 0 H SER A 20 -12.139 10.035 -6.129 1.00 0.00 H new ATOM 0 HA SER A 20 -14.916 10.197 -6.552 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.279 11.985 -7.049 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.488 10.970 -8.238 1.00 0.00 H new ATOM 0 HG SER A 20 -13.960 12.472 -9.207 1.00 0.00 H new ATOM 322 N SER A 21 -13.346 8.078 -8.495 1.00 0.00 N ATOM 323 CA SER A 21 -13.531 7.080 -9.536 1.00 0.00 C ATOM 324 C SER A 21 -14.236 5.836 -8.995 1.00 0.00 C ATOM 325 O SER A 21 -15.210 5.363 -9.580 1.00 0.00 O ATOM 326 CB SER A 21 -12.174 6.704 -10.130 1.00 0.00 C ATOM 327 OG SER A 21 -12.316 5.903 -11.289 1.00 0.00 O ATOM 0 H SER A 21 -12.403 8.115 -8.108 1.00 0.00 H new ATOM 0 HA SER A 21 -14.164 7.506 -10.314 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.621 7.610 -10.379 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.587 6.167 -9.385 1.00 0.00 H new ATOM 0 HG SER A 21 -11.430 5.682 -11.644 1.00 0.00 H new ATOM 333 N LEU A 22 -13.756 5.316 -7.866 1.00 0.00 N ATOM 334 CA LEU A 22 -14.279 4.070 -7.315 1.00 0.00 C ATOM 335 C LEU A 22 -15.527 4.293 -6.465 1.00 0.00 C ATOM 336 O LEU A 22 -15.987 3.379 -5.781 1.00 0.00 O ATOM 337 CB LEU A 22 -13.201 3.375 -6.485 1.00 0.00 C ATOM 338 CG LEU A 22 -12.052 2.786 -7.293 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.924 2.369 -6.371 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.536 1.597 -8.101 1.00 0.00 C ATOM 0 H LEU A 22 -13.007 5.738 -7.317 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.565 3.437 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.794 4.091 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.666 2.577 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.680 3.547 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.109 1.949 -6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.564 3.238 -5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.287 1.619 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.706 1.185 -8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.926 0.834 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.324 1.917 -8.783 1.00 0.00 H new ATOM 352 N ASN A 23 -16.064 5.513 -6.516 1.00 0.00 N ATOM 353 CA ASN A 23 -17.264 5.879 -5.754 1.00 0.00 C ATOM 354 C ASN A 23 -17.074 5.633 -4.262 1.00 0.00 C ATOM 355 O ASN A 23 -17.989 5.179 -3.577 1.00 0.00 O ATOM 356 CB ASN A 23 -18.487 5.110 -6.254 1.00 0.00 C ATOM 357 CG ASN A 23 -18.901 5.518 -7.650 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.433 4.954 -8.640 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.779 6.502 -7.742 1.00 0.00 N ATOM 0 H ASN A 23 -15.684 6.272 -7.082 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.430 6.945 -5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.270 4.042 -6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.319 5.274 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -20.094 6.821 -8.658 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.142 6.942 -6.897 1.00 0.00 H new ATOM 366 N ILE A 24 -15.879 5.925 -3.769 1.00 0.00 N ATOM 367 CA ILE A 24 -15.571 5.760 -2.361 1.00 0.00 C ATOM 368 C ILE A 24 -16.290 6.819 -1.531 1.00 0.00 C ATOM 369 O ILE A 24 -16.095 8.018 -1.737 1.00 0.00 O ATOM 370 CB ILE A 24 -14.056 5.870 -2.099 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.264 5.000 -3.089 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.740 5.467 -0.665 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.535 3.516 -2.966 1.00 0.00 C ATOM 0 H ILE A 24 -15.104 6.279 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.910 4.765 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.757 6.908 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.500 5.318 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.199 5.177 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.667 5.549 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.270 6.126 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.057 4.438 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.937 2.975 -3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.271 3.180 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.592 3.323 -3.147 1.00 0.00 H new ATOM 385 N PRO A 25 -17.143 6.384 -0.594 1.00 0.00 N ATOM 386 CA PRO A 25 -17.856 7.288 0.308 1.00 0.00 C ATOM 387 C PRO A 25 -16.895 8.124 1.145 1.00 0.00 C ATOM 388 O PRO A 25 -15.861 7.635 1.612 1.00 0.00 O ATOM 389 CB PRO A 25 -18.666 6.357 1.210 1.00 0.00 C ATOM 390 CG PRO A 25 -18.704 5.043 0.514 1.00 0.00 C ATOM 391 CD PRO A 25 -17.477 4.975 -0.351 1.00 0.00 C ATOM 0 HA PRO A 25 -18.473 8.000 -0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.203 6.265 2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.673 6.745 1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.716 4.224 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.608 4.951 -0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.663 4.451 0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.673 4.444 -1.282 1.00 0.00 H new ATOM 399 N ALA A 26 -17.264 9.387 1.329 1.00 0.00 N ATOM 400 CA ALA A 26 -16.451 10.354 2.059 1.00 0.00 C ATOM 401 C ALA A 26 -16.147 9.876 3.472 1.00 0.00 C ATOM 402 O ALA A 26 -15.094 10.186 4.025 1.00 0.00 O ATOM 403 CB ALA A 26 -17.169 11.687 2.104 1.00 0.00 C ATOM 0 H ALA A 26 -18.140 9.771 0.974 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.501 10.465 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.562 12.409 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.334 12.046 1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.128 11.567 2.607 1.00 0.00 H new ATOM 409 N ASP A 27 -17.085 9.131 4.046 1.00 0.00 N ATOM 410 CA ASP A 27 -16.909 8.546 5.374 1.00 0.00 C ATOM 411 C ASP A 27 -15.640 7.699 5.445 1.00 0.00 C ATOM 412 O ASP A 27 -14.878 7.794 6.408 1.00 0.00 O ATOM 413 CB ASP A 27 -18.120 7.696 5.763 1.00 0.00 C ATOM 414 CG ASP A 27 -19.295 8.536 6.223 1.00 0.00 C ATOM 415 OD1 ASP A 27 -19.448 8.727 7.448 1.00 0.00 O ATOM 416 OD2 ASP A 27 -20.062 9.021 5.366 1.00 0.00 O ATOM 0 H ASP A 27 -17.982 8.916 3.610 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.815 9.371 6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.423 7.089 4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.836 7.007 6.559 1.00 0.00 H new ATOM 421 N TYR A 28 -15.417 6.866 4.431 1.00 0.00 N ATOM 422 CA TYR A 28 -14.203 6.065 4.357 1.00 0.00 C ATOM 423 C TYR A 28 -12.968 6.947 4.206 1.00 0.00 C ATOM 424 O TYR A 28 -11.917 6.655 4.770 1.00 0.00 O ATOM 425 CB TYR A 28 -14.278 5.069 3.199 1.00 0.00 C ATOM 426 CG TYR A 28 -14.979 3.773 3.554 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.314 3.564 3.233 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.296 2.752 4.205 1.00 0.00 C ATOM 429 CE1 TYR A 28 -16.947 2.377 3.550 1.00 0.00 C ATOM 430 CE2 TYR A 28 -14.924 1.565 4.526 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.247 1.382 4.195 1.00 0.00 C ATOM 432 OH TYR A 28 -16.876 0.198 4.511 1.00 0.00 O ATOM 0 H TYR A 28 -16.061 6.730 3.652 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.118 5.511 5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.799 5.536 2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.267 4.844 2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -16.867 4.342 2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.257 2.890 4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -17.986 2.231 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.379 0.783 5.035 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.243 -0.398 4.962 1.00 0.00 H new ATOM 442 N VAL A 29 -13.110 8.029 3.451 1.00 0.00 N ATOM 443 CA VAL A 29 -12.012 8.958 3.206 1.00 0.00 C ATOM 444 C VAL A 29 -11.482 9.553 4.513 1.00 0.00 C ATOM 445 O VAL A 29 -10.269 9.655 4.716 1.00 0.00 O ATOM 446 CB VAL A 29 -12.457 10.086 2.261 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.309 11.037 1.974 1.00 0.00 C ATOM 448 CG2 VAL A 29 -12.999 9.497 0.974 1.00 0.00 C ATOM 0 H VAL A 29 -13.984 8.287 2.993 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.206 8.395 2.735 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.248 10.656 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.649 11.826 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.961 11.479 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.492 10.489 1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.312 10.302 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.222 8.907 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.853 8.858 1.198 1.00 0.00 H new ATOM 458 N GLU A 30 -12.399 9.931 5.403 1.00 0.00 N ATOM 459 CA GLU A 30 -12.027 10.481 6.709 1.00 0.00 C ATOM 460 C GLU A 30 -11.259 9.450 7.534 1.00 0.00 C ATOM 461 O GLU A 30 -10.425 9.806 8.370 1.00 0.00 O ATOM 462 CB GLU A 30 -13.265 10.939 7.474 1.00 0.00 C ATOM 463 CG GLU A 30 -14.259 11.675 6.598 1.00 0.00 C ATOM 464 CD GLU A 30 -15.409 12.272 7.380 1.00 0.00 C ATOM 465 OE1 GLU A 30 -16.551 11.793 7.224 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.178 13.224 8.154 1.00 0.00 O ATOM 0 H GLU A 30 -13.405 9.867 5.245 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.381 11.342 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.753 10.072 7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.960 11.589 8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.742 12.469 6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.654 10.988 5.850 1.00 0.00 H new ATOM 473 N LYS A 31 -11.550 8.175 7.297 1.00 0.00 N ATOM 474 CA LYS A 31 -10.819 7.089 7.942 1.00 0.00 C ATOM 475 C LYS A 31 -9.388 7.025 7.424 1.00 0.00 C ATOM 476 O LYS A 31 -8.438 7.025 8.200 1.00 0.00 O ATOM 477 CB LYS A 31 -11.492 5.739 7.702 1.00 0.00 C ATOM 478 CG LYS A 31 -12.897 5.641 8.265 1.00 0.00 C ATOM 479 CD LYS A 31 -13.457 4.238 8.105 1.00 0.00 C ATOM 480 CE LYS A 31 -14.890 4.148 8.617 1.00 0.00 C ATOM 481 NZ LYS A 31 -14.956 4.285 10.095 1.00 0.00 N ATOM 0 H LYS A 31 -12.287 7.868 6.663 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.817 7.296 9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.527 5.548 6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.878 4.955 8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.888 5.914 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.546 6.354 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.426 3.950 7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.830 3.531 8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.492 4.929 8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.323 3.193 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.927 4.101 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.309 3.601 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.678 5.249 10.367 1.00 0.00 H new ATOM 495 N PHE A 32 -9.247 6.979 6.104 1.00 0.00 N ATOM 496 CA PHE A 32 -7.941 6.857 5.460 1.00 0.00 C ATOM 497 C PHE A 32 -7.012 7.991 5.882 1.00 0.00 C ATOM 498 O PHE A 32 -5.839 7.770 6.184 1.00 0.00 O ATOM 499 CB PHE A 32 -8.097 6.848 3.937 1.00 0.00 C ATOM 500 CG PHE A 32 -9.091 5.836 3.436 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.246 4.618 4.077 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.873 6.106 2.324 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.158 3.689 3.619 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.787 5.179 1.862 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.930 3.969 2.511 1.00 0.00 C ATOM 0 H PHE A 32 -10.030 7.025 5.451 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.497 5.914 5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.404 7.840 3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.127 6.647 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.646 4.392 4.946 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.767 7.052 1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.267 2.743 4.128 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.389 5.401 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.645 3.243 2.152 1.00 0.00 H new ATOM 515 N LYS A 33 -7.559 9.197 5.944 1.00 0.00 N ATOM 516 CA LYS A 33 -6.797 10.377 6.326 1.00 0.00 C ATOM 517 C LYS A 33 -6.326 10.280 7.782 1.00 0.00 C ATOM 518 O LYS A 33 -5.408 10.989 8.202 1.00 0.00 O ATOM 519 CB LYS A 33 -7.654 11.627 6.132 1.00 0.00 C ATOM 520 CG LYS A 33 -6.836 12.890 5.938 1.00 0.00 C ATOM 521 CD LYS A 33 -7.723 14.077 5.598 1.00 0.00 C ATOM 522 CE LYS A 33 -6.913 15.350 5.422 1.00 0.00 C ATOM 523 NZ LYS A 33 -7.767 16.499 5.021 1.00 0.00 N ATOM 0 H LYS A 33 -8.539 9.384 5.732 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.914 10.440 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.301 11.485 5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.303 11.752 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.272 13.103 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.109 12.736 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.276 13.868 4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.459 14.220 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.401 15.586 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.143 15.189 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.177 17.348 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.236 16.284 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.486 16.669 5.753 1.00 0.00 H new ATOM 537 N LYS A 34 -6.951 9.395 8.547 1.00 0.00 N ATOM 538 CA LYS A 34 -6.581 9.189 9.940 1.00 0.00 C ATOM 539 C LYS A 34 -5.895 7.828 10.100 1.00 0.00 C ATOM 540 O LYS A 34 -5.723 7.321 11.213 1.00 0.00 O ATOM 541 CB LYS A 34 -7.827 9.324 10.836 1.00 0.00 C ATOM 542 CG LYS A 34 -8.588 8.031 11.103 1.00 0.00 C ATOM 543 CD LYS A 34 -9.987 8.310 11.637 1.00 0.00 C ATOM 544 CE LYS A 34 -9.953 9.197 12.872 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.317 9.589 13.315 1.00 0.00 N ATOM 0 H LYS A 34 -7.719 8.807 8.224 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.869 9.952 10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.521 9.749 11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.509 10.038 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.657 7.451 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.037 7.424 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.583 8.790 10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.478 7.368 11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.446 8.672 13.681 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.370 10.093 12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.248 10.193 14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.792 10.113 12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.866 8.736 13.544 1.00 0.00 H new ATOM 559 N TRP A 35 -5.475 7.270 8.964 1.00 0.00 N ATOM 560 CA TRP A 35 -4.747 6.000 8.906 1.00 0.00 C ATOM 561 C TRP A 35 -5.595 4.826 9.390 1.00 0.00 C ATOM 562 O TRP A 35 -5.120 3.964 10.128 1.00 0.00 O ATOM 563 CB TRP A 35 -3.444 6.083 9.706 1.00 0.00 C ATOM 564 CG TRP A 35 -2.438 7.027 9.116 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.212 8.319 9.489 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.525 6.752 8.046 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.210 8.864 8.724 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.774 7.923 7.830 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.268 5.631 7.253 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.216 8.002 6.854 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.287 5.712 6.284 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.447 6.888 6.091 1.00 0.00 C ATOM 0 H TRP A 35 -5.632 7.691 8.048 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.507 5.819 7.858 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.672 6.398 10.724 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.003 5.088 9.771 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.744 8.838 10.272 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.850 9.814 8.808 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.826 4.717 7.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.782 8.910 6.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.083 4.852 5.664 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.209 6.918 5.327 1.00 0.00 H new ATOM 583 N GLU A 36 -6.841 4.792 8.954 1.00 0.00 N ATOM 584 CA GLU A 36 -7.745 3.701 9.285 1.00 0.00 C ATOM 585 C GLU A 36 -8.281 3.044 8.027 1.00 0.00 C ATOM 586 O GLU A 36 -9.009 3.661 7.251 1.00 0.00 O ATOM 587 CB GLU A 36 -8.898 4.190 10.153 1.00 0.00 C ATOM 588 CG GLU A 36 -8.517 4.375 11.606 1.00 0.00 C ATOM 589 CD GLU A 36 -8.062 3.083 12.249 1.00 0.00 C ATOM 590 OE1 GLU A 36 -8.888 2.156 12.380 1.00 0.00 O ATOM 591 OE2 GLU A 36 -6.876 2.984 12.631 1.00 0.00 O ATOM 0 H GLU A 36 -7.255 5.514 8.364 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.178 2.961 9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.265 5.137 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.720 3.477 10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.720 5.115 11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.371 4.771 12.156 1.00 0.00 H new ATOM 598 N PHE A 37 -7.903 1.794 7.829 1.00 0.00 N ATOM 599 CA PHE A 37 -8.328 1.040 6.657 1.00 0.00 C ATOM 600 C PHE A 37 -9.088 -0.209 7.087 1.00 0.00 C ATOM 601 O PHE A 37 -8.482 -1.249 7.354 1.00 0.00 O ATOM 602 CB PHE A 37 -7.108 0.648 5.808 1.00 0.00 C ATOM 603 CG PHE A 37 -6.181 1.799 5.530 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.261 2.511 4.343 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.236 2.178 6.471 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.416 3.577 4.103 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.387 3.241 6.234 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.476 3.942 5.049 1.00 0.00 C ATOM 0 H PHE A 37 -7.299 1.275 8.467 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.988 1.666 6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.555 -0.139 6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.452 0.231 4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.991 2.229 3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.163 1.635 7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.490 4.126 3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.654 3.523 6.975 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.813 4.774 4.861 1.00 0.00 H new ATOM 618 N PRO A 38 -10.423 -0.114 7.195 1.00 0.00 N ATOM 619 CA PRO A 38 -11.272 -1.250 7.572 1.00 0.00 C ATOM 620 C PRO A 38 -11.157 -2.417 6.603 1.00 0.00 C ATOM 621 O PRO A 38 -10.845 -2.242 5.422 1.00 0.00 O ATOM 622 CB PRO A 38 -12.689 -0.675 7.526 1.00 0.00 C ATOM 623 CG PRO A 38 -12.508 0.791 7.677 1.00 0.00 C ATOM 624 CD PRO A 38 -11.220 1.105 6.965 1.00 0.00 C ATOM 0 HA PRO A 38 -10.986 -1.653 8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.184 -0.918 6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.307 -1.082 8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.343 1.338 7.240 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.456 1.075 8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.379 1.292 5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.735 1.991 7.375 1.00 0.00 H new ATOM 632 N GLU A 39 -11.409 -3.608 7.118 1.00 0.00 N ATOM 633 CA GLU A 39 -11.415 -4.808 6.306 1.00 0.00 C ATOM 634 C GLU A 39 -12.682 -4.829 5.462 1.00 0.00 C ATOM 635 O GLU A 39 -13.698 -5.421 5.836 1.00 0.00 O ATOM 636 CB GLU A 39 -11.320 -6.043 7.197 1.00 0.00 C ATOM 637 CG GLU A 39 -11.147 -7.346 6.439 1.00 0.00 C ATOM 638 CD GLU A 39 -10.984 -8.526 7.370 1.00 0.00 C ATOM 639 OE1 GLU A 39 -9.830 -8.904 7.657 1.00 0.00 O ATOM 640 OE2 GLU A 39 -12.005 -9.070 7.834 1.00 0.00 O ATOM 0 H GLU A 39 -11.614 -3.768 8.104 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.552 -4.814 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.480 -5.920 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.221 -6.107 7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.012 -7.509 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.275 -7.274 5.789 1.00 0.00 H new ATOM 647 N ASP A 40 -12.611 -4.151 4.333 1.00 0.00 N ATOM 648 CA ASP A 40 -13.768 -3.929 3.477 1.00 0.00 C ATOM 649 C ASP A 40 -13.335 -3.844 2.021 1.00 0.00 C ATOM 650 O ASP A 40 -12.339 -3.200 1.700 1.00 0.00 O ATOM 651 CB ASP A 40 -14.493 -2.642 3.904 1.00 0.00 C ATOM 652 CG ASP A 40 -15.171 -1.942 2.748 1.00 0.00 C ATOM 653 OD1 ASP A 40 -16.232 -2.422 2.289 1.00 0.00 O ATOM 654 OD2 ASP A 40 -14.644 -0.907 2.293 1.00 0.00 O ATOM 0 H ASP A 40 -11.749 -3.736 3.980 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.456 -4.768 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.237 -2.884 4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.776 -1.962 4.365 1.00 0.00 H new ATOM 659 N ASP A 41 -14.101 -4.506 1.153 1.00 0.00 N ATOM 660 CA ASP A 41 -13.757 -4.638 -0.265 1.00 0.00 C ATOM 661 C ASP A 41 -13.695 -3.287 -0.975 1.00 0.00 C ATOM 662 O ASP A 41 -12.947 -3.125 -1.940 1.00 0.00 O ATOM 663 CB ASP A 41 -14.753 -5.553 -0.978 1.00 0.00 C ATOM 664 CG ASP A 41 -14.536 -7.019 -0.660 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.847 -7.702 -1.446 1.00 0.00 O ATOM 666 OD2 ASP A 41 -15.060 -7.502 0.366 1.00 0.00 O ATOM 0 H ASP A 41 -14.975 -4.965 1.411 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.762 -5.081 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.767 -5.271 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.670 -5.403 -2.055 1.00 0.00 H new ATOM 671 N THR A 42 -14.494 -2.330 -0.517 1.00 0.00 N ATOM 672 CA THR A 42 -14.422 -0.965 -1.025 1.00 0.00 C ATOM 673 C THR A 42 -13.044 -0.362 -0.739 1.00 0.00 C ATOM 674 O THR A 42 -12.359 0.118 -1.647 1.00 0.00 O ATOM 675 CB THR A 42 -15.520 -0.087 -0.395 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.810 -0.635 -0.691 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.442 1.337 -0.908 1.00 0.00 C ATOM 0 H THR A 42 -15.199 -2.474 0.205 1.00 0.00 H new ATOM 0 HA THR A 42 -14.579 -0.997 -2.103 1.00 0.00 H new ATOM 0 HB THR A 42 -15.366 -0.072 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 42 -17.504 -0.074 -0.287 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.229 1.934 -0.446 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.470 1.761 -0.657 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.571 1.341 -1.990 1.00 0.00 H new ATOM 685 N THR A 43 -12.647 -0.414 0.528 1.00 0.00 N ATOM 686 CA THR A 43 -11.330 0.040 0.958 1.00 0.00 C ATOM 687 C THR A 43 -10.217 -0.666 0.178 1.00 0.00 C ATOM 688 O THR A 43 -9.190 -0.066 -0.151 1.00 0.00 O ATOM 689 CB THR A 43 -11.138 -0.225 2.465 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.196 0.400 3.211 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.789 0.297 2.946 1.00 0.00 C ATOM 0 H THR A 43 -13.229 -0.772 1.285 1.00 0.00 H new ATOM 0 HA THR A 43 -11.271 1.111 0.762 1.00 0.00 H new ATOM 0 HB THR A 43 -11.166 -1.303 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.037 -0.076 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.680 0.097 4.012 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.989 -0.203 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.731 1.371 2.771 1.00 0.00 H new ATOM 699 N MET A 44 -10.442 -1.936 -0.134 1.00 0.00 N ATOM 700 CA MET A 44 -9.433 -2.755 -0.792 1.00 0.00 C ATOM 701 C MET A 44 -9.161 -2.275 -2.215 1.00 0.00 C ATOM 702 O MET A 44 -8.008 -2.096 -2.606 1.00 0.00 O ATOM 703 CB MET A 44 -9.860 -4.222 -0.800 1.00 0.00 C ATOM 704 CG MET A 44 -10.077 -4.789 0.592 1.00 0.00 C ATOM 705 SD MET A 44 -10.644 -6.498 0.583 1.00 0.00 S ATOM 706 CE MET A 44 -10.876 -6.763 2.339 1.00 0.00 C ATOM 0 H MET A 44 -11.318 -2.422 0.059 1.00 0.00 H new ATOM 0 HA MET A 44 -8.507 -2.658 -0.225 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.781 -4.323 -1.374 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.100 -4.812 -1.311 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.144 -4.726 1.152 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.807 -4.174 1.118 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.142 -7.805 2.518 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.952 -6.529 2.868 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.675 -6.117 2.702 1.00 0.00 H new ATOM 716 N CYS A 45 -10.220 -2.057 -2.990 1.00 0.00 N ATOM 717 CA CYS A 45 -10.063 -1.569 -4.359 1.00 0.00 C ATOM 718 C CYS A 45 -9.497 -0.156 -4.359 1.00 0.00 C ATOM 719 O CYS A 45 -8.803 0.242 -5.297 1.00 0.00 O ATOM 720 CB CYS A 45 -11.387 -1.611 -5.133 1.00 0.00 C ATOM 721 SG CYS A 45 -11.991 -3.299 -5.487 1.00 0.00 S ATOM 0 H CYS A 45 -11.186 -2.208 -2.699 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.362 -2.233 -4.865 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.147 -1.077 -4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.262 -1.076 -6.075 1.00 0.00 H new ATOM 726 N TYR A 46 -9.781 0.594 -3.299 1.00 0.00 N ATOM 727 CA TYR A 46 -9.228 1.926 -3.139 1.00 0.00 C ATOM 728 C TYR A 46 -7.709 1.861 -3.061 1.00 0.00 C ATOM 729 O TYR A 46 -7.010 2.566 -3.788 1.00 0.00 O ATOM 730 CB TYR A 46 -9.808 2.588 -1.889 1.00 0.00 C ATOM 731 CG TYR A 46 -9.050 3.821 -1.447 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.276 3.807 -0.292 1.00 0.00 C ATOM 733 CD2 TYR A 46 -9.107 4.996 -2.186 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.585 4.933 0.116 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.417 6.122 -1.784 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.660 6.086 -0.634 1.00 0.00 C ATOM 737 OH TYR A 46 -6.985 7.213 -0.233 1.00 0.00 O ATOM 0 H TYR A 46 -10.393 0.297 -2.539 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.499 2.529 -4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.846 2.860 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.813 1.864 -1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.214 2.903 0.295 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.700 5.029 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.990 4.909 1.017 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.471 7.028 -2.369 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.504 7.027 0.600 1.00 0.00 H new ATOM 747 N ILE A 47 -7.210 0.993 -2.185 1.00 0.00 N ATOM 748 CA ILE A 47 -5.776 0.787 -2.035 1.00 0.00 C ATOM 749 C ILE A 47 -5.156 0.339 -3.354 1.00 0.00 C ATOM 750 O ILE A 47 -4.068 0.776 -3.719 1.00 0.00 O ATOM 751 CB ILE A 47 -5.464 -0.254 -0.933 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.872 0.288 0.448 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.989 -0.645 -0.951 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.192 1.591 0.826 1.00 0.00 C ATOM 0 H ILE A 47 -7.783 0.419 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.341 1.741 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.048 -1.152 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.952 0.436 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.642 -0.463 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.797 -1.377 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.739 -1.077 -1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.376 0.240 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.533 1.906 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.112 1.446 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.443 2.358 0.093 1.00 0.00 H new ATOM 766 N LYS A 48 -5.877 -0.515 -4.071 1.00 0.00 N ATOM 767 CA LYS A 48 -5.423 -1.026 -5.352 1.00 0.00 C ATOM 768 C LYS A 48 -5.170 0.123 -6.329 1.00 0.00 C ATOM 769 O LYS A 48 -4.080 0.248 -6.885 1.00 0.00 O ATOM 770 CB LYS A 48 -6.472 -1.974 -5.929 1.00 0.00 C ATOM 771 CG LYS A 48 -6.016 -2.707 -7.177 1.00 0.00 C ATOM 772 CD LYS A 48 -7.177 -3.412 -7.855 1.00 0.00 C ATOM 773 CE LYS A 48 -6.766 -4.003 -9.193 1.00 0.00 C ATOM 774 NZ LYS A 48 -6.404 -2.957 -10.185 1.00 0.00 N ATOM 0 H LYS A 48 -6.788 -0.869 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.489 -1.567 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.744 -2.706 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.373 -1.406 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.561 -2.000 -7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.248 -3.435 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.552 -4.204 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.995 -2.707 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.917 -4.671 -9.047 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.583 -4.607 -9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.131 -3.408 -11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.221 -2.334 -10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.607 -2.396 -9.823 1.00 0.00 H new ATOM 788 N CYS A 49 -6.188 0.959 -6.517 1.00 0.00 N ATOM 789 CA CYS A 49 -6.098 2.099 -7.426 1.00 0.00 C ATOM 790 C CYS A 49 -4.960 3.045 -7.037 1.00 0.00 C ATOM 791 O CYS A 49 -4.170 3.463 -7.886 1.00 0.00 O ATOM 792 CB CYS A 49 -7.431 2.849 -7.453 1.00 0.00 C ATOM 793 SG CYS A 49 -7.387 4.444 -8.340 1.00 0.00 S ATOM 0 H CYS A 49 -7.090 0.867 -6.049 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.878 1.718 -8.423 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.183 2.211 -7.917 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.754 3.027 -6.427 1.00 0.00 H new ATOM 798 N VAL A 50 -4.874 3.368 -5.748 1.00 0.00 N ATOM 799 CA VAL A 50 -3.862 4.282 -5.245 1.00 0.00 C ATOM 800 C VAL A 50 -2.463 3.729 -5.487 1.00 0.00 C ATOM 801 O VAL A 50 -1.582 4.425 -5.996 1.00 0.00 O ATOM 802 CB VAL A 50 -4.070 4.550 -3.742 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.918 5.343 -3.160 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.375 5.285 -3.524 1.00 0.00 C ATOM 0 H VAL A 50 -5.501 3.004 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.962 5.223 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.108 3.590 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.095 5.516 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.991 4.784 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.838 6.300 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.515 5.471 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.351 6.235 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.201 4.679 -3.898 1.00 0.00 H new ATOM 814 N PHE A 51 -2.285 2.459 -5.156 1.00 0.00 N ATOM 815 CA PHE A 51 -1.007 1.788 -5.316 1.00 0.00 C ATOM 816 C PHE A 51 -0.633 1.669 -6.790 1.00 0.00 C ATOM 817 O PHE A 51 0.538 1.548 -7.144 1.00 0.00 O ATOM 818 CB PHE A 51 -1.070 0.405 -4.665 1.00 0.00 C ATOM 819 CG PHE A 51 -0.670 0.392 -3.216 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.045 -0.717 -2.672 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.922 1.484 -2.398 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.322 -0.739 -1.341 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.556 1.467 -1.066 1.00 0.00 C ATOM 824 CZ PHE A 51 0.065 0.355 -0.537 1.00 0.00 C ATOM 0 H PHE A 51 -3.021 1.867 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.236 2.381 -4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.085 0.019 -4.754 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.421 -0.275 -5.217 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.158 -1.575 -3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.409 2.357 -2.807 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.809 -1.610 -0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.756 2.324 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.350 0.339 0.505 1.00 0.00 H new ATOM 834 N ASN A 52 -1.640 1.717 -7.647 1.00 0.00 N ATOM 835 CA ASN A 52 -1.430 1.619 -9.083 1.00 0.00 C ATOM 836 C ASN A 52 -0.968 2.962 -9.643 1.00 0.00 C ATOM 837 O ASN A 52 -0.027 3.028 -10.432 1.00 0.00 O ATOM 838 CB ASN A 52 -2.722 1.169 -9.774 1.00 0.00 C ATOM 839 CG ASN A 52 -2.543 0.897 -11.259 1.00 0.00 C ATOM 840 OD1 ASN A 52 -1.411 0.323 -11.637 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -3.434 1.174 -12.061 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.616 1.824 -7.371 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.654 0.878 -9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.091 0.266 -9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.484 1.937 -9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.294 1.616 -11.736 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.313 0.962 -13.051 1.00 0.00 H new ATOM 848 N LYS A 53 -1.615 4.035 -9.197 1.00 0.00 N ATOM 849 CA LYS A 53 -1.288 5.383 -9.655 1.00 0.00 C ATOM 850 C LYS A 53 0.063 5.846 -9.119 1.00 0.00 C ATOM 851 O LYS A 53 0.723 6.697 -9.715 1.00 0.00 O ATOM 852 CB LYS A 53 -2.382 6.367 -9.231 1.00 0.00 C ATOM 853 CG LYS A 53 -3.549 6.450 -10.209 1.00 0.00 C ATOM 854 CD LYS A 53 -3.125 7.063 -11.540 1.00 0.00 C ATOM 855 CE LYS A 53 -4.276 7.109 -12.535 1.00 0.00 C ATOM 856 NZ LYS A 53 -4.762 5.751 -12.895 1.00 0.00 N ATOM 0 H LYS A 53 -2.373 3.997 -8.515 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.227 5.356 -10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.761 6.074 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.943 7.358 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.953 5.452 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.349 7.047 -9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.750 8.072 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.304 6.484 -11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.098 7.686 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.953 7.629 -13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.411 5.818 -13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.953 5.149 -13.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.263 5.335 -12.084 1.00 0.00 H new ATOM 870 N MET A 54 0.472 5.277 -7.996 1.00 0.00 N ATOM 871 CA MET A 54 1.743 5.632 -7.379 1.00 0.00 C ATOM 872 C MET A 54 2.885 4.781 -7.925 1.00 0.00 C ATOM 873 O MET A 54 4.021 4.876 -7.458 1.00 0.00 O ATOM 874 CB MET A 54 1.642 5.475 -5.865 1.00 0.00 C ATOM 875 CG MET A 54 0.789 6.546 -5.216 1.00 0.00 C ATOM 876 SD MET A 54 0.348 6.157 -3.515 1.00 0.00 S ATOM 877 CE MET A 54 1.899 6.435 -2.676 1.00 0.00 C ATOM 0 H MET A 54 -0.058 4.566 -7.492 1.00 0.00 H new ATOM 0 HA MET A 54 1.961 6.672 -7.622 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.224 4.495 -5.634 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.643 5.504 -5.434 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.326 7.494 -5.239 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.121 6.681 -5.800 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.854 6.003 -1.676 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.706 5.966 -3.238 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.085 7.506 -2.600 1.00 0.00 H new ATOM 887 N GLN A 55 2.564 3.956 -8.928 1.00 0.00 N ATOM 888 CA GLN A 55 3.526 3.043 -9.542 1.00 0.00 C ATOM 889 C GLN A 55 4.138 2.109 -8.505 1.00 0.00 C ATOM 890 O GLN A 55 5.347 1.905 -8.474 1.00 0.00 O ATOM 891 CB GLN A 55 4.627 3.817 -10.269 1.00 0.00 C ATOM 892 CG GLN A 55 4.270 4.197 -11.692 1.00 0.00 C ATOM 893 CD GLN A 55 4.035 2.991 -12.585 1.00 0.00 C ATOM 894 OE1 GLN A 55 4.585 1.913 -12.354 1.00 0.00 O ATOM 895 NE2 GLN A 55 3.240 3.173 -13.626 1.00 0.00 N ATOM 0 H GLN A 55 1.630 3.905 -9.334 1.00 0.00 H new ATOM 0 HA GLN A 55 2.986 2.439 -10.271 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.853 4.723 -9.707 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.535 3.214 -10.281 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.373 4.816 -11.683 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.072 4.803 -12.113 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.804 4.082 -13.782 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.063 2.405 -14.273 1.00 0.00 H new ATOM 904 N LEU A 56 3.297 1.538 -7.663 1.00 0.00 N ATOM 905 CA LEU A 56 3.776 0.736 -6.552 1.00 0.00 C ATOM 906 C LEU A 56 3.198 -0.678 -6.589 1.00 0.00 C ATOM 907 O LEU A 56 3.691 -1.583 -5.913 1.00 0.00 O ATOM 908 CB LEU A 56 3.436 1.445 -5.232 1.00 0.00 C ATOM 909 CG LEU A 56 4.561 2.318 -4.665 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.122 2.997 -3.375 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.812 1.495 -4.423 1.00 0.00 C ATOM 0 H LEU A 56 2.282 1.614 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 56 4.858 0.633 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.554 2.067 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.169 0.693 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 56 4.790 3.088 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.937 3.611 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.255 3.627 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.860 2.240 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.597 2.136 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.592 0.700 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.147 1.058 -5.363 1.00 0.00 H new ATOM 923 N PHE A 57 2.162 -0.864 -7.395 1.00 0.00 N ATOM 924 CA PHE A 57 1.516 -2.164 -7.522 1.00 0.00 C ATOM 925 C PHE A 57 1.134 -2.419 -8.976 1.00 0.00 C ATOM 926 O PHE A 57 0.642 -1.524 -9.667 1.00 0.00 O ATOM 927 CB PHE A 57 0.275 -2.242 -6.612 1.00 0.00 C ATOM 928 CG PHE A 57 -0.534 -3.502 -6.767 1.00 0.00 C ATOM 929 CD1 PHE A 57 -0.177 -4.660 -6.094 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.662 -3.524 -7.576 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.925 -5.815 -6.228 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.411 -4.676 -7.713 1.00 0.00 C ATOM 933 CZ PHE A 57 -2.043 -5.822 -7.039 1.00 0.00 C ATOM 0 H PHE A 57 1.750 -0.130 -7.972 1.00 0.00 H new ATOM 0 HA PHE A 57 2.218 -2.936 -7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.595 -2.156 -5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.366 -1.385 -6.819 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.696 -4.660 -5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.957 -2.630 -8.104 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.635 -6.711 -5.699 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.285 -4.680 -8.348 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.628 -6.723 -7.145 1.00 0.00 H new ATOM 943 N ASP A 58 1.388 -3.633 -9.430 1.00 0.00 N ATOM 944 CA ASP A 58 1.050 -4.052 -10.785 1.00 0.00 C ATOM 945 C ASP A 58 0.065 -5.211 -10.717 1.00 0.00 C ATOM 946 O ASP A 58 0.199 -6.094 -9.874 1.00 0.00 O ATOM 947 CB ASP A 58 2.323 -4.466 -11.534 1.00 0.00 C ATOM 948 CG ASP A 58 2.058 -5.012 -12.922 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.935 -6.242 -13.070 1.00 0.00 O ATOM 950 OD2 ASP A 58 2.002 -4.215 -13.879 1.00 0.00 O ATOM 0 H ASP A 58 1.835 -4.360 -8.871 1.00 0.00 H new ATOM 0 HA ASP A 58 0.589 -3.225 -11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.986 -3.604 -11.612 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.849 -5.221 -10.950 1.00 0.00 H new ATOM 955 N ASP A 59 -0.932 -5.191 -11.596 1.00 0.00 N ATOM 956 CA ASP A 59 -2.013 -6.183 -11.570 1.00 0.00 C ATOM 957 C ASP A 59 -1.505 -7.592 -11.850 1.00 0.00 C ATOM 958 O ASP A 59 -2.172 -8.576 -11.529 1.00 0.00 O ATOM 959 CB ASP A 59 -3.101 -5.824 -12.584 1.00 0.00 C ATOM 960 CG ASP A 59 -3.848 -4.554 -12.232 1.00 0.00 C ATOM 961 OD1 ASP A 59 -4.950 -4.648 -11.654 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.342 -3.453 -12.538 1.00 0.00 O ATOM 0 H ASP A 59 -1.018 -4.498 -12.339 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.431 -6.167 -10.563 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.648 -5.710 -13.569 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.811 -6.648 -12.653 1.00 0.00 H new ATOM 967 N THR A 60 -0.334 -7.689 -12.460 1.00 0.00 N ATOM 968 CA THR A 60 0.261 -8.977 -12.767 1.00 0.00 C ATOM 969 C THR A 60 1.326 -9.369 -11.737 1.00 0.00 C ATOM 970 O THR A 60 1.176 -10.360 -11.019 1.00 0.00 O ATOM 971 CB THR A 60 0.879 -8.964 -14.177 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.157 -8.877 -15.162 1.00 0.00 O ATOM 973 CG2 THR A 60 1.729 -10.199 -14.425 1.00 0.00 C ATOM 0 H THR A 60 0.224 -6.887 -12.753 1.00 0.00 H new ATOM 0 HA THR A 60 -0.536 -9.720 -12.730 1.00 0.00 H new ATOM 0 HB THR A 60 1.528 -8.091 -14.251 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.242 -8.867 -16.057 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.149 -10.156 -15.430 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.538 -10.237 -13.695 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.111 -11.092 -14.328 1.00 0.00 H new ATOM 981 N GLU A 61 2.400 -8.588 -11.667 1.00 0.00 N ATOM 982 CA GLU A 61 3.534 -8.908 -10.807 1.00 0.00 C ATOM 983 C GLU A 61 3.228 -8.648 -9.335 1.00 0.00 C ATOM 984 O GLU A 61 3.970 -9.090 -8.454 1.00 0.00 O ATOM 985 CB GLU A 61 4.750 -8.089 -11.217 1.00 0.00 C ATOM 986 CG GLU A 61 4.943 -8.003 -12.715 1.00 0.00 C ATOM 987 CD GLU A 61 6.164 -7.195 -13.093 1.00 0.00 C ATOM 988 OE1 GLU A 61 7.298 -7.672 -12.860 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.997 -6.081 -13.633 1.00 0.00 O ATOM 0 H GLU A 61 2.508 -7.724 -12.199 1.00 0.00 H new ATOM 0 HA GLU A 61 3.739 -9.972 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.652 -7.081 -10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.641 -8.527 -10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.035 -9.009 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.059 -7.554 -13.167 1.00 0.00 H new ATOM 996 N GLY A 62 2.146 -7.935 -9.067 1.00 0.00 N ATOM 997 CA GLY A 62 1.806 -7.609 -7.700 1.00 0.00 C ATOM 998 C GLY A 62 2.588 -6.416 -7.188 1.00 0.00 C ATOM 999 O GLY A 62 2.889 -5.498 -7.952 1.00 0.00 O ATOM 0 H GLY A 62 1.499 -7.577 -9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.739 -7.399 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.002 -8.471 -7.063 1.00 0.00 H new ATOM 1003 N PRO A 63 2.918 -6.403 -5.891 1.00 0.00 N ATOM 1004 CA PRO A 63 3.727 -5.343 -5.283 1.00 0.00 C ATOM 1005 C PRO A 63 5.081 -5.195 -5.973 1.00 0.00 C ATOM 1006 O PRO A 63 5.857 -6.151 -6.050 1.00 0.00 O ATOM 1007 CB PRO A 63 3.915 -5.809 -3.833 1.00 0.00 C ATOM 1008 CG PRO A 63 2.827 -6.799 -3.589 1.00 0.00 C ATOM 1009 CD PRO A 63 2.520 -7.429 -4.919 1.00 0.00 C ATOM 0 HA PRO A 63 3.247 -4.368 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.896 -6.261 -3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.846 -4.971 -3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.142 -7.552 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.943 -6.311 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.078 -8.354 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.463 -7.678 -5.010 1.00 0.00 H new ATOM 1017 N LEU A 64 5.349 -3.998 -6.478 1.00 0.00 N ATOM 1018 CA LEU A 64 6.599 -3.722 -7.176 1.00 0.00 C ATOM 1019 C LEU A 64 7.694 -3.404 -6.177 1.00 0.00 C ATOM 1020 O LEU A 64 7.877 -2.256 -5.776 1.00 0.00 O ATOM 1021 CB LEU A 64 6.428 -2.570 -8.166 1.00 0.00 C ATOM 1022 CG LEU A 64 5.315 -2.793 -9.188 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.080 -1.543 -10.021 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.668 -3.972 -10.079 1.00 0.00 C ATOM 0 H LEU A 64 4.716 -3.200 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 64 6.883 -4.611 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.221 -1.655 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.368 -2.416 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 64 4.390 -3.013 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.283 -1.730 -10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.794 -0.719 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.995 -1.283 -10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.872 -4.129 -10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.602 -3.766 -10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.783 -4.868 -9.469 1.00 0.00 H new ATOM 1036 N VAL A 65 8.411 -4.450 -5.795 1.00 0.00 N ATOM 1037 CA VAL A 65 9.433 -4.386 -4.760 1.00 0.00 C ATOM 1038 C VAL A 65 10.431 -3.253 -4.985 1.00 0.00 C ATOM 1039 O VAL A 65 10.759 -2.524 -4.055 1.00 0.00 O ATOM 1040 CB VAL A 65 10.192 -5.720 -4.664 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.335 -5.628 -3.665 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.238 -6.836 -4.284 1.00 0.00 C ATOM 0 H VAL A 65 8.298 -5.379 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 65 8.910 -4.187 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 65 10.621 -5.942 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.854 -6.585 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.032 -4.852 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.939 -5.381 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.786 -7.776 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.783 -6.613 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.459 -6.922 -5.041 1.00 0.00 H new ATOM 1052 N ASP A 66 10.898 -3.100 -6.218 1.00 0.00 N ATOM 1053 CA ASP A 66 11.905 -2.087 -6.533 1.00 0.00 C ATOM 1054 C ASP A 66 11.404 -0.687 -6.193 1.00 0.00 C ATOM 1055 O ASP A 66 12.052 0.049 -5.445 1.00 0.00 O ATOM 1056 CB ASP A 66 12.299 -2.154 -8.006 1.00 0.00 C ATOM 1057 CG ASP A 66 13.026 -3.436 -8.361 1.00 0.00 C ATOM 1058 OD1 ASP A 66 12.359 -4.405 -8.784 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.264 -3.484 -8.223 1.00 0.00 O ATOM 0 H ASP A 66 10.599 -3.661 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 66 12.784 -2.297 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.404 -2.067 -8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.935 -1.302 -8.247 1.00 0.00 H new ATOM 1064 N ASN A 67 10.245 -0.324 -6.730 1.00 0.00 N ATOM 1065 CA ASN A 67 9.652 0.979 -6.454 1.00 0.00 C ATOM 1066 C ASN A 67 9.307 1.105 -4.975 1.00 0.00 C ATOM 1067 O ASN A 67 9.403 2.183 -4.394 1.00 0.00 O ATOM 1068 CB ASN A 67 8.404 1.200 -7.307 1.00 0.00 C ATOM 1069 CG ASN A 67 8.728 1.457 -8.770 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.754 1.010 -9.287 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.851 2.177 -9.449 1.00 0.00 N ATOM 0 H ASN A 67 9.698 -0.913 -7.358 1.00 0.00 H new ATOM 0 HA ASN A 67 10.384 1.745 -6.710 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.758 0.325 -7.231 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.843 2.046 -6.910 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.012 2.380 -10.436 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.013 2.530 -8.986 1.00 0.00 H new ATOM 1078 N LEU A 68 8.922 -0.016 -4.376 1.00 0.00 N ATOM 1079 CA LEU A 68 8.586 -0.069 -2.956 1.00 0.00 C ATOM 1080 C LEU A 68 9.781 0.310 -2.092 1.00 0.00 C ATOM 1081 O LEU A 68 9.645 1.056 -1.127 1.00 0.00 O ATOM 1082 CB LEU A 68 8.070 -1.461 -2.587 1.00 0.00 C ATOM 1083 CG LEU A 68 6.588 -1.685 -2.889 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.257 -3.166 -2.897 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.733 -0.963 -1.864 1.00 0.00 C ATOM 0 H LEU A 68 8.834 -0.911 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 68 7.797 0.658 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.655 -2.207 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.241 -1.629 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 68 6.374 -1.282 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.197 -3.301 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.851 -3.667 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.485 -3.595 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.679 -1.129 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.957 -1.346 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.948 0.105 -1.899 1.00 0.00 H new ATOM 1097 N VAL A 69 10.952 -0.198 -2.446 1.00 0.00 N ATOM 1098 CA VAL A 69 12.178 0.146 -1.745 1.00 0.00 C ATOM 1099 C VAL A 69 12.541 1.608 -1.987 1.00 0.00 C ATOM 1100 O VAL A 69 12.898 2.324 -1.058 1.00 0.00 O ATOM 1101 CB VAL A 69 13.337 -0.761 -2.186 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.610 -0.389 -1.456 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.996 -2.218 -1.936 1.00 0.00 C ATOM 0 H VAL A 69 11.078 -0.853 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 69 12.007 -0.005 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 69 13.495 -0.619 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.420 -1.042 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.867 0.647 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.460 -0.503 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.828 -2.846 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.812 -2.371 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.103 -2.485 -2.501 1.00 0.00 H new ATOM 1113 N HIS A 70 12.416 2.053 -3.234 1.00 0.00 N ATOM 1114 CA HIS A 70 12.705 3.448 -3.583 1.00 0.00 C ATOM 1115 C HIS A 70 11.837 4.416 -2.783 1.00 0.00 C ATOM 1116 O HIS A 70 12.257 5.530 -2.466 1.00 0.00 O ATOM 1117 CB HIS A 70 12.484 3.700 -5.075 1.00 0.00 C ATOM 1118 CG HIS A 70 13.645 3.330 -5.944 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.063 2.131 -6.412 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 14.523 4.262 -6.455 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 15.168 2.362 -7.192 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 15.421 3.653 -7.203 1.00 0.00 N flip ATOM 0 H HIS A 70 12.118 1.474 -4.019 1.00 0.00 H new ATOM 0 HA HIS A 70 13.752 3.623 -3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.609 3.137 -5.400 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.257 4.756 -5.223 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.636 1.225 -6.221 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.481 5.325 -6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.738 1.606 -7.713 1.00 0.00 H new ATOM 1131 N GLN A 71 10.627 3.988 -2.469 1.00 0.00 N ATOM 1132 CA GLN A 71 9.685 4.822 -1.740 1.00 0.00 C ATOM 1133 C GLN A 71 9.874 4.681 -0.231 1.00 0.00 C ATOM 1134 O GLN A 71 10.156 5.658 0.464 1.00 0.00 O ATOM 1135 CB GLN A 71 8.250 4.439 -2.111 1.00 0.00 C ATOM 1136 CG GLN A 71 7.216 5.459 -1.653 1.00 0.00 C ATOM 1137 CD GLN A 71 7.372 6.809 -2.327 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.782 6.898 -3.482 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.050 7.871 -1.605 1.00 0.00 N ATOM 0 H GLN A 71 10.271 3.063 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 71 9.873 5.859 -2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.181 4.322 -3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.014 3.470 -1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.218 5.072 -1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.295 5.587 -0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.713 7.755 -0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.139 8.805 -2.005 1.00 0.00 H new ATOM 1148 N LEU A 72 9.709 3.463 0.266 1.00 0.00 N ATOM 1149 CA LEU A 72 9.724 3.203 1.704 1.00 0.00 C ATOM 1150 C LEU A 72 11.087 3.467 2.335 1.00 0.00 C ATOM 1151 O LEU A 72 11.167 4.061 3.408 1.00 0.00 O ATOM 1152 CB LEU A 72 9.286 1.769 2.001 1.00 0.00 C ATOM 1153 CG LEU A 72 7.811 1.473 1.738 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.525 -0.008 1.933 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.920 2.303 2.651 1.00 0.00 C ATOM 0 H LEU A 72 9.562 2.632 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 72 9.015 3.900 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.890 1.090 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.504 1.548 3.046 1.00 0.00 H new ATOM 0 HG LEU A 72 7.590 1.742 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.470 -0.203 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.133 -0.590 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.767 -0.294 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.874 2.075 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.145 2.067 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.102 3.363 2.472 1.00 0.00 H new ATOM 1167 N ALA A 73 12.157 3.039 1.672 1.00 0.00 N ATOM 1168 CA ALA A 73 13.509 3.195 2.204 1.00 0.00 C ATOM 1169 C ALA A 73 14.011 4.637 2.104 1.00 0.00 C ATOM 1170 O ALA A 73 15.207 4.880 1.929 1.00 0.00 O ATOM 1171 CB ALA A 73 14.455 2.251 1.488 1.00 0.00 C ATOM 0 H ALA A 73 12.115 2.580 0.762 1.00 0.00 H new ATOM 0 HA ALA A 73 13.477 2.945 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.462 2.372 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.126 1.223 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.459 2.479 0.422 1.00 0.00 H new ATOM 1177 N HIS A 74 13.092 5.586 2.230 1.00 0.00 N ATOM 1178 CA HIS A 74 13.420 7.003 2.167 1.00 0.00 C ATOM 1179 C HIS A 74 14.230 7.404 3.398 1.00 0.00 C ATOM 1180 O HIS A 74 13.670 7.788 4.427 1.00 0.00 O ATOM 1181 CB HIS A 74 12.136 7.843 2.073 1.00 0.00 C ATOM 1182 CG HIS A 74 12.375 9.297 1.809 1.00 0.00 C ATOM 1183 ND1 HIS A 74 12.406 10.243 2.806 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.576 9.970 0.649 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.614 11.432 2.276 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.722 11.295 0.968 1.00 0.00 N ATOM 0 H HIS A 74 12.101 5.395 2.378 1.00 0.00 H new ATOM 0 HA HIS A 74 14.019 7.189 1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.508 7.439 1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.579 7.741 3.004 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.614 9.542 -0.342 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.684 12.362 2.821 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.887 12.051 0.303 1.00 0.00 H new ATOM 1195 N GLY A 75 15.547 7.288 3.292 1.00 0.00 N ATOM 1196 CA GLY A 75 16.414 7.612 4.406 1.00 0.00 C ATOM 1197 C GLY A 75 16.615 6.436 5.341 1.00 0.00 C ATOM 1198 O GLY A 75 16.854 6.618 6.533 1.00 0.00 O ATOM 0 H GLY A 75 16.031 6.974 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.381 7.941 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.989 8.447 4.963 1.00 0.00 H new ATOM 1202 N ARG A 76 16.513 5.227 4.803 1.00 0.00 N ATOM 1203 CA ARG A 76 16.680 4.017 5.602 1.00 0.00 C ATOM 1204 C ARG A 76 17.324 2.910 4.778 1.00 0.00 C ATOM 1205 O ARG A 76 17.373 2.996 3.550 1.00 0.00 O ATOM 1206 CB ARG A 76 15.335 3.544 6.163 1.00 0.00 C ATOM 1207 CG ARG A 76 15.067 4.018 7.582 1.00 0.00 C ATOM 1208 CD ARG A 76 13.845 3.342 8.172 1.00 0.00 C ATOM 1209 NE ARG A 76 13.668 3.641 9.592 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.910 2.913 10.414 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.287 1.829 9.965 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.779 3.264 11.688 1.00 0.00 N ATOM 0 H ARG A 76 16.315 5.057 3.817 1.00 0.00 H new ATOM 0 HA ARG A 76 17.338 4.256 6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.535 3.899 5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.304 2.455 6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.936 3.810 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.923 5.098 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.958 3.660 7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.931 2.264 8.040 1.00 0.00 H new ATOM 0 HE ARG A 76 14.152 4.453 9.976 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.387 1.551 8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.708 1.275 10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.259 4.092 12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.199 2.705 12.314 1.00 0.00 H new ATOM 1226 N ASP A 77 17.816 1.883 5.466 1.00 0.00 N ATOM 1227 CA ASP A 77 18.506 0.764 4.829 1.00 0.00 C ATOM 1228 C ASP A 77 17.596 0.037 3.852 1.00 0.00 C ATOM 1229 O ASP A 77 16.701 -0.713 4.248 1.00 0.00 O ATOM 1230 CB ASP A 77 19.023 -0.211 5.886 1.00 0.00 C ATOM 1231 CG ASP A 77 19.982 0.446 6.855 1.00 0.00 C ATOM 1232 OD1 ASP A 77 19.544 0.843 7.956 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.176 0.575 6.522 1.00 0.00 O ATOM 0 H ASP A 77 17.748 1.803 6.481 1.00 0.00 H new ATOM 0 HA ASP A 77 19.350 1.168 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.179 -0.625 6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.523 -1.045 5.394 1.00 0.00 H new ATOM 1238 N ALA A 78 17.859 0.261 2.573 1.00 0.00 N ATOM 1239 CA ALA A 78 17.042 -0.266 1.489 1.00 0.00 C ATOM 1240 C ALA A 78 16.985 -1.788 1.490 1.00 0.00 C ATOM 1241 O ALA A 78 15.938 -2.375 1.223 1.00 0.00 O ATOM 1242 CB ALA A 78 17.589 0.230 0.167 1.00 0.00 C ATOM 0 H ALA A 78 18.652 0.818 2.255 1.00 0.00 H new ATOM 0 HA ALA A 78 16.023 0.091 1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.981 -0.162 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.563 1.320 0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.618 -0.110 0.048 1.00 0.00 H new ATOM 1248 N GLU A 79 18.109 -2.419 1.801 1.00 0.00 N ATOM 1249 CA GLU A 79 18.201 -3.876 1.778 1.00 0.00 C ATOM 1250 C GLU A 79 17.257 -4.497 2.803 1.00 0.00 C ATOM 1251 O GLU A 79 16.637 -5.534 2.551 1.00 0.00 O ATOM 1252 CB GLU A 79 19.635 -4.327 2.038 1.00 0.00 C ATOM 1253 CG GLU A 79 20.605 -3.923 0.940 1.00 0.00 C ATOM 1254 CD GLU A 79 21.976 -4.535 1.118 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.309 -5.476 0.369 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.719 -4.092 2.017 1.00 0.00 O ATOM 0 H GLU A 79 18.971 -1.946 2.073 1.00 0.00 H new ATOM 0 HA GLU A 79 17.903 -4.217 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.974 -3.906 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.653 -5.411 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.200 -4.224 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.696 -2.837 0.923 1.00 0.00 H new ATOM 1263 N GLU A 80 17.143 -3.849 3.954 1.00 0.00 N ATOM 1264 CA GLU A 80 16.217 -4.288 4.983 1.00 0.00 C ATOM 1265 C GLU A 80 14.783 -4.069 4.521 1.00 0.00 C ATOM 1266 O GLU A 80 13.939 -4.958 4.629 1.00 0.00 O ATOM 1267 CB GLU A 80 16.472 -3.532 6.281 1.00 0.00 C ATOM 1268 CG GLU A 80 17.826 -3.826 6.896 1.00 0.00 C ATOM 1269 CD GLU A 80 18.047 -5.304 7.131 1.00 0.00 C ATOM 1270 OE1 GLU A 80 17.478 -5.848 8.099 1.00 0.00 O ATOM 1271 OE2 GLU A 80 18.790 -5.928 6.346 1.00 0.00 O ATOM 0 H GLU A 80 17.681 -3.017 4.197 1.00 0.00 H new ATOM 0 HA GLU A 80 16.372 -5.352 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.393 -2.462 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.693 -3.786 6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.609 -3.444 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.915 -3.294 7.843 1.00 0.00 H new ATOM 1278 N VAL A 81 14.534 -2.879 3.983 1.00 0.00 N ATOM 1279 CA VAL A 81 13.223 -2.513 3.463 1.00 0.00 C ATOM 1280 C VAL A 81 12.748 -3.507 2.402 1.00 0.00 C ATOM 1281 O VAL A 81 11.617 -3.990 2.457 1.00 0.00 O ATOM 1282 CB VAL A 81 13.261 -1.091 2.880 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.948 -0.726 2.211 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.593 -0.105 3.979 1.00 0.00 C ATOM 0 H VAL A 81 15.235 -2.143 3.896 1.00 0.00 H new ATOM 0 HA VAL A 81 12.514 -2.541 4.290 1.00 0.00 H new ATOM 0 HB VAL A 81 14.034 -1.053 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.012 0.286 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.747 -1.425 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.141 -0.776 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.620 0.904 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.832 -0.158 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.566 -0.349 4.405 1.00 0.00 H new ATOM 1294 N ARG A 82 13.629 -3.814 1.449 1.00 0.00 N ATOM 1295 CA ARG A 82 13.355 -4.801 0.411 1.00 0.00 C ATOM 1296 C ARG A 82 12.886 -6.117 1.025 1.00 0.00 C ATOM 1297 O ARG A 82 11.917 -6.722 0.569 1.00 0.00 O ATOM 1298 CB ARG A 82 14.622 -5.044 -0.404 1.00 0.00 C ATOM 1299 CG ARG A 82 14.388 -5.866 -1.655 1.00 0.00 C ATOM 1300 CD ARG A 82 15.700 -6.276 -2.292 1.00 0.00 C ATOM 1301 NE ARG A 82 15.509 -6.948 -3.576 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.433 -7.709 -4.161 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.603 -7.913 -3.570 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.181 -8.266 -5.336 1.00 0.00 N ATOM 0 H ARG A 82 14.551 -3.384 1.377 1.00 0.00 H new ATOM 0 HA ARG A 82 12.564 -4.418 -0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.053 -4.083 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.356 -5.551 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.808 -6.755 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.799 -5.289 -2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.323 -5.393 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.238 -6.939 -1.615 1.00 0.00 H new ATOM 0 HE ARG A 82 14.615 -6.827 -4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.798 -7.487 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.308 -8.496 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.281 -8.112 -5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.887 -8.849 -5.786 1.00 0.00 H new ATOM 1318 N THR A 83 13.571 -6.525 2.081 1.00 0.00 N ATOM 1319 CA THR A 83 13.309 -7.792 2.738 1.00 0.00 C ATOM 1320 C THR A 83 11.946 -7.792 3.435 1.00 0.00 C ATOM 1321 O THR A 83 11.120 -8.680 3.208 1.00 0.00 O ATOM 1322 CB THR A 83 14.427 -8.087 3.751 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.647 -8.361 3.047 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.071 -9.250 4.661 1.00 0.00 C ATOM 0 H THR A 83 14.325 -5.985 2.506 1.00 0.00 H new ATOM 0 HA THR A 83 13.289 -8.574 1.979 1.00 0.00 H new ATOM 0 HB THR A 83 14.555 -7.209 4.383 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.095 -7.517 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.887 -9.426 5.362 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.162 -9.014 5.214 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.909 -10.145 4.061 1.00 0.00 H new ATOM 1332 N GLU A 84 11.720 -6.792 4.285 1.00 0.00 N ATOM 1333 CA GLU A 84 10.459 -6.658 5.004 1.00 0.00 C ATOM 1334 C GLU A 84 9.268 -6.607 4.043 1.00 0.00 C ATOM 1335 O GLU A 84 8.209 -7.172 4.329 1.00 0.00 O ATOM 1336 CB GLU A 84 10.485 -5.410 5.882 1.00 0.00 C ATOM 1337 CG GLU A 84 11.641 -5.401 6.867 1.00 0.00 C ATOM 1338 CD GLU A 84 11.585 -4.243 7.841 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.955 -4.392 8.911 1.00 0.00 O ATOM 1340 OE2 GLU A 84 12.188 -3.184 7.556 1.00 0.00 O ATOM 0 H GLU A 84 12.399 -6.060 4.492 1.00 0.00 H new ATOM 0 HA GLU A 84 10.338 -7.538 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.550 -4.527 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.546 -5.339 6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.642 -6.337 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.580 -5.358 6.315 1.00 0.00 H new ATOM 1347 N VAL A 85 9.445 -5.928 2.911 1.00 0.00 N ATOM 1348 CA VAL A 85 8.424 -5.887 1.872 1.00 0.00 C ATOM 1349 C VAL A 85 8.130 -7.288 1.337 1.00 0.00 C ATOM 1350 O VAL A 85 6.974 -7.705 1.277 1.00 0.00 O ATOM 1351 CB VAL A 85 8.854 -4.975 0.706 1.00 0.00 C ATOM 1352 CG1 VAL A 85 7.989 -5.218 -0.517 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.783 -3.518 1.125 1.00 0.00 C ATOM 0 H VAL A 85 10.289 -5.398 2.692 1.00 0.00 H new ATOM 0 HA VAL A 85 7.519 -5.481 2.324 1.00 0.00 H new ATOM 0 HB VAL A 85 9.885 -5.215 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.311 -4.563 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.086 -6.257 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.947 -5.008 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.089 -2.885 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.761 -3.271 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.448 -3.350 1.972 1.00 0.00 H new ATOM 1363 N LEU A 86 9.184 -8.007 0.961 1.00 0.00 N ATOM 1364 CA LEU A 86 9.056 -9.351 0.402 1.00 0.00 C ATOM 1365 C LEU A 86 8.326 -10.296 1.354 1.00 0.00 C ATOM 1366 O LEU A 86 7.614 -11.202 0.917 1.00 0.00 O ATOM 1367 CB LEU A 86 10.438 -9.908 0.068 1.00 0.00 C ATOM 1368 CG LEU A 86 11.118 -9.249 -1.125 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.593 -9.601 -1.152 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.448 -9.683 -2.416 1.00 0.00 C ATOM 0 H LEU A 86 10.146 -7.677 1.034 1.00 0.00 H new ATOM 0 HA LEU A 86 8.461 -9.277 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.080 -9.798 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.347 -10.976 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 86 11.022 -8.168 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.066 -9.123 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.067 -9.251 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.708 -10.682 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.943 -9.205 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.521 -10.766 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.398 -9.390 -2.397 1.00 0.00 H new ATOM 1382 N LYS A 87 8.489 -10.071 2.653 1.00 0.00 N ATOM 1383 CA LYS A 87 7.807 -10.880 3.661 1.00 0.00 C ATOM 1384 C LYS A 87 6.305 -10.607 3.655 1.00 0.00 C ATOM 1385 O LYS A 87 5.516 -11.395 4.172 1.00 0.00 O ATOM 1386 CB LYS A 87 8.376 -10.608 5.055 1.00 0.00 C ATOM 1387 CG LYS A 87 9.768 -11.176 5.273 1.00 0.00 C ATOM 1388 CD LYS A 87 10.295 -10.848 6.662 1.00 0.00 C ATOM 1389 CE LYS A 87 9.389 -11.404 7.753 1.00 0.00 C ATOM 1390 NZ LYS A 87 9.902 -11.098 9.114 1.00 0.00 N ATOM 0 H LYS A 87 9.086 -9.337 3.034 1.00 0.00 H new ATOM 0 HA LYS A 87 7.974 -11.928 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.403 -9.531 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.702 -11.029 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.746 -12.257 5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.447 -10.774 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.298 -11.259 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.378 -9.767 6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.388 -10.987 7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.299 -12.484 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.256 -11.494 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.846 -11.518 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.964 -10.067 9.238 1.00 0.00 H new ATOM 1404 N CYS A 88 5.918 -9.494 3.055 1.00 0.00 N ATOM 1405 CA CYS A 88 4.515 -9.111 2.980 1.00 0.00 C ATOM 1406 C CYS A 88 3.971 -9.316 1.572 1.00 0.00 C ATOM 1407 O CYS A 88 2.770 -9.187 1.334 1.00 0.00 O ATOM 1408 CB CYS A 88 4.331 -7.664 3.424 1.00 0.00 C ATOM 1409 SG CYS A 88 4.233 -7.473 5.233 1.00 0.00 S ATOM 0 H CYS A 88 6.558 -8.836 2.610 1.00 0.00 H new ATOM 0 HA CYS A 88 3.950 -9.752 3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.161 -7.067 3.047 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.422 -7.266 2.974 1.00 0.00 H new ATOM 1414 N VAL A 89 4.864 -9.623 0.639 1.00 0.00 N ATOM 1415 CA VAL A 89 4.462 -9.968 -0.708 1.00 0.00 C ATOM 1416 C VAL A 89 3.864 -11.367 -0.712 1.00 0.00 C ATOM 1417 O VAL A 89 4.583 -12.368 -0.690 1.00 0.00 O ATOM 1418 CB VAL A 89 5.649 -9.893 -1.688 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.226 -10.336 -3.074 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.215 -8.483 -1.739 1.00 0.00 C ATOM 0 H VAL A 89 5.872 -9.638 0.796 1.00 0.00 H new ATOM 0 HA VAL A 89 3.715 -9.247 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 89 6.427 -10.567 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.078 -10.276 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.867 -11.364 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.429 -9.687 -3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.052 -8.452 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.440 -7.792 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.559 -8.193 -0.746 1.00 0.00 H new ATOM 1430 N ASP A 90 2.545 -11.427 -0.710 1.00 0.00 N ATOM 1431 CA ASP A 90 1.842 -12.693 -0.613 1.00 0.00 C ATOM 1432 C ASP A 90 1.266 -13.080 -1.970 1.00 0.00 C ATOM 1433 O ASP A 90 1.279 -12.283 -2.910 1.00 0.00 O ATOM 1434 CB ASP A 90 0.727 -12.599 0.436 1.00 0.00 C ATOM 1435 CG ASP A 90 0.411 -13.936 1.084 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.798 -14.988 0.528 1.00 0.00 O ATOM 1437 OD2 ASP A 90 -0.212 -13.943 2.169 1.00 0.00 O ATOM 0 H ASP A 90 1.937 -10.611 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 90 2.547 -13.465 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.020 -11.887 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.175 -12.206 -0.034 1.00 0.00 H new ATOM 1442 N LYS A 91 0.773 -14.304 -2.060 1.00 0.00 N ATOM 1443 CA LYS A 91 0.239 -14.840 -3.302 1.00 0.00 C ATOM 1444 C LYS A 91 -1.232 -14.474 -3.461 1.00 0.00 C ATOM 1445 O LYS A 91 -1.958 -14.320 -2.476 1.00 0.00 O ATOM 1446 CB LYS A 91 0.389 -16.358 -3.318 1.00 0.00 C ATOM 1447 CG LYS A 91 1.718 -16.845 -2.779 1.00 0.00 C ATOM 1448 CD LYS A 91 1.814 -18.360 -2.821 1.00 0.00 C ATOM 1449 CE LYS A 91 3.143 -18.855 -2.270 1.00 0.00 C ATOM 1450 NZ LYS A 91 4.298 -18.368 -3.069 1.00 0.00 N ATOM 0 H LYS A 91 0.731 -14.954 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 91 0.799 -14.407 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.415 -16.800 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.269 -16.715 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.530 -16.412 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.844 -16.500 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.997 -18.793 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.695 -18.704 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.252 -18.524 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.146 -19.945 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.156 -18.885 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.112 -18.527 -4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.435 -17.351 -2.898 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.671 -14.360 -4.705 1.00 0.00 N ATOM 1465 CA ASN A 92 -3.054 -14.007 -5.007 1.00 0.00 C ATOM 1466 C ASN A 92 -3.931 -15.255 -4.975 1.00 0.00 C ATOM 1467 O ASN A 92 -4.472 -15.688 -5.994 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.143 -13.321 -6.373 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.513 -12.725 -6.656 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.288 -12.448 -5.741 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.806 -12.500 -7.930 1.00 0.00 N ATOM 0 H ASN A 92 -1.087 -14.507 -5.528 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.413 -13.310 -4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.393 -12.532 -6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.900 -14.044 -7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.702 -12.082 -8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.135 -12.744 -8.658 1.00 0.00 H new ATOM 1478 N THR A 93 -4.052 -15.835 -3.791 1.00 0.00 N ATOM 1479 CA THR A 93 -4.825 -17.053 -3.600 1.00 0.00 C ATOM 1480 C THR A 93 -6.324 -16.786 -3.644 1.00 0.00 C ATOM 1481 O THR A 93 -7.102 -17.645 -4.056 1.00 0.00 O ATOM 1482 CB THR A 93 -4.479 -17.715 -2.258 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.593 -16.756 -1.195 1.00 0.00 O ATOM 1484 CG2 THR A 93 -3.075 -18.282 -2.289 1.00 0.00 C ATOM 0 H THR A 93 -3.620 -15.477 -2.939 1.00 0.00 H new ATOM 0 HA THR A 93 -4.563 -17.721 -4.420 1.00 0.00 H new ATOM 0 HB THR A 93 -5.180 -18.531 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.373 -17.185 -0.342 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.849 -18.747 -1.329 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.001 -19.029 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.363 -17.479 -2.480 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.727 -15.594 -3.228 1.00 0.00 N ATOM 1493 CA ASP A 94 -8.142 -15.252 -3.180 1.00 0.00 C ATOM 1494 C ASP A 94 -8.615 -14.724 -4.527 1.00 0.00 C ATOM 1495 O ASP A 94 -9.806 -14.487 -4.734 1.00 0.00 O ATOM 1496 CB ASP A 94 -8.420 -14.238 -2.070 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.751 -12.900 -2.305 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -8.397 -12.007 -2.878 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -6.586 -12.725 -1.882 1.00 0.00 O ATOM 0 H ASP A 94 -6.099 -14.851 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.703 -16.159 -2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.496 -14.089 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.078 -14.646 -1.119 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.659 -14.549 -5.436 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.930 -14.195 -6.826 1.00 0.00 C ATOM 1506 C ASN A 95 -8.693 -12.883 -6.959 1.00 0.00 C ATOM 1507 O ASN A 95 -9.508 -12.719 -7.871 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.684 -15.315 -7.538 1.00 0.00 C ATOM 1509 CG ASN A 95 -7.819 -16.530 -7.800 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.137 -16.614 -8.819 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -7.852 -17.489 -6.893 1.00 0.00 N ATOM 0 H ASN A 95 -6.666 -14.650 -5.226 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.960 -14.057 -7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.543 -15.609 -6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.073 -14.940 -8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.299 -18.336 -7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.430 -17.383 -6.060 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.430 -11.953 -6.058 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.035 -10.634 -6.134 1.00 0.00 C ATOM 1520 C ASN A 96 -7.949 -9.577 -6.012 1.00 0.00 C ATOM 1521 O ASN A 96 -7.330 -9.432 -4.960 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.094 -10.462 -5.037 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.691 -9.068 -5.017 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.199 -8.175 -4.332 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.761 -8.872 -5.770 1.00 0.00 N ATOM 0 H ASN A 96 -7.802 -12.086 -5.265 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.535 -10.520 -7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.889 -11.192 -5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.645 -10.675 -4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.206 -7.954 -5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -12.141 -9.638 -6.326 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.713 -8.852 -7.098 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.596 -7.916 -7.172 1.00 0.00 C ATOM 1534 C ALA A 97 -6.710 -6.803 -6.136 1.00 0.00 C ATOM 1535 O ALA A 97 -5.696 -6.307 -5.642 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.484 -7.333 -8.571 1.00 0.00 C ATOM 0 H ALA A 97 -8.282 -8.894 -7.943 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.688 -8.475 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.646 -6.637 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.321 -8.137 -9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.405 -6.806 -8.820 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.936 -6.406 -5.806 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.147 -5.399 -4.768 1.00 0.00 C ATOM 1544 C CYS A 98 -7.660 -5.918 -3.416 1.00 0.00 C ATOM 1545 O CYS A 98 -6.991 -5.203 -2.672 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.623 -5.001 -4.653 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.351 -4.295 -6.169 1.00 0.00 S ATOM 0 H CYS A 98 -8.790 -6.761 -6.236 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.574 -4.517 -5.054 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.200 -5.880 -4.366 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.726 -4.275 -3.846 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.972 -7.174 -3.113 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.615 -7.756 -1.828 1.00 0.00 C ATOM 1554 C HIS A 99 -6.148 -8.160 -1.817 1.00 0.00 C ATOM 1555 O HIS A 99 -5.525 -8.230 -0.761 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.506 -8.967 -1.516 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.192 -9.636 -0.208 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -7.494 -10.822 -0.123 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.475 -9.280 1.069 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -7.358 -11.161 1.145 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -7.943 -10.244 1.888 1.00 0.00 N ATOM 0 H HIS A 99 -8.470 -7.806 -3.740 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.774 -7.004 -1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.548 -8.646 -1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.404 -9.697 -2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.018 -8.401 1.383 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.852 -12.042 1.512 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.993 -10.250 2.907 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.606 -8.429 -2.991 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.196 -8.775 -3.123 1.00 0.00 C ATOM 1572 C TRP A 100 -3.327 -7.578 -2.741 1.00 0.00 C ATOM 1573 O TRP A 100 -2.447 -7.682 -1.883 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.892 -9.229 -4.555 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.492 -9.731 -4.750 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.578 -10.025 -3.778 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.855 -10.019 -5.997 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.408 -10.458 -4.347 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.554 -10.468 -5.709 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.259 -9.934 -7.332 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.344 -10.835 -6.707 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.370 -10.300 -8.321 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.082 -10.744 -8.007 1.00 0.00 C ATOM 0 H TRP A 100 -6.120 -8.415 -3.872 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.968 -9.600 -2.447 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.592 -10.017 -4.832 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.066 -8.395 -5.235 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.752 -9.930 -2.716 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.434 -10.729 -3.839 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.250 -9.588 -7.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.339 -11.179 -6.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.674 -10.243 -9.356 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.591 -11.021 -8.805 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.599 -6.440 -3.369 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.891 -5.204 -3.064 1.00 0.00 C ATOM 1596 C ALA A 101 -3.113 -4.815 -1.609 1.00 0.00 C ATOM 1597 O ALA A 101 -2.204 -4.339 -0.927 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.362 -4.090 -3.987 1.00 0.00 C ATOM 0 H ALA A 101 -4.309 -6.348 -4.096 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.824 -5.362 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.826 -3.171 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.166 -4.368 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.432 -3.932 -3.850 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.328 -5.053 -1.141 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.705 -4.735 0.224 1.00 0.00 C ATOM 1606 C PHE A 102 -3.991 -5.657 1.212 1.00 0.00 C ATOM 1607 O PHE A 102 -3.677 -5.256 2.328 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.220 -4.841 0.379 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.733 -4.412 1.728 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.207 -5.342 2.642 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.746 -3.071 2.077 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.683 -4.939 3.876 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.219 -2.664 3.309 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.689 -3.599 4.209 1.00 0.00 C ATOM 0 H PHE A 102 -5.076 -5.470 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.400 -3.712 0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.696 -4.232 -0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.521 -5.873 0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.204 -6.391 2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.381 -2.334 1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.050 -5.672 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.221 -1.615 3.568 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.061 -3.283 5.172 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.723 -6.889 0.784 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.066 -7.877 1.632 1.00 0.00 C ATOM 1626 C ARG A 103 -1.614 -7.483 1.873 1.00 0.00 C ATOM 1627 O ARG A 103 -1.104 -7.605 2.987 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.146 -9.273 0.996 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.524 -10.363 1.854 1.00 0.00 C ATOM 1630 CD ARG A 103 -3.446 -11.560 2.061 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.973 -12.113 0.808 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.959 -13.418 0.510 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.334 -14.278 1.304 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -4.566 -13.867 -0.582 1.00 0.00 N ATOM 0 H ARG A 103 -3.953 -7.227 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.582 -7.908 2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.191 -9.520 0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.645 -9.253 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.599 -10.701 1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.257 -9.945 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.902 -12.340 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.280 -11.262 2.697 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.372 -11.467 0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.862 -13.946 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.326 -15.272 1.074 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.048 -13.216 -1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.550 -14.863 -0.801 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.963 -6.988 0.826 1.00 0.00 N ATOM 1649 CA GLY A 104 0.412 -6.541 0.953 1.00 0.00 C ATOM 1650 C GLY A 104 0.528 -5.331 1.859 1.00 0.00 C ATOM 1651 O GLY A 104 1.384 -5.281 2.746 1.00 0.00 O ATOM 0 H GLY A 104 -1.362 -6.888 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.023 -7.352 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.807 -6.296 -0.033 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.355 -4.365 1.646 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.363 -3.133 2.423 1.00 0.00 C ATOM 1657 C PHE A 105 -0.684 -3.415 3.891 1.00 0.00 C ATOM 1658 O PHE A 105 -0.014 -2.910 4.792 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.377 -2.157 1.816 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.663 -0.947 2.660 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.968 -0.591 2.972 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.627 -0.162 3.138 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.228 0.525 3.742 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.885 0.955 3.909 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.187 1.298 4.210 1.00 0.00 C ATOM 0 H PHE A 105 -1.083 -4.413 0.933 1.00 0.00 H new ATOM 0 HA PHE A 105 0.629 -2.682 2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.008 -1.827 0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.312 -2.689 1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.788 -1.193 2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.394 -0.426 2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.247 0.793 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.068 1.559 4.276 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.390 2.171 4.812 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.689 -4.253 4.113 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.170 -4.553 5.459 1.00 0.00 C ATOM 1677 C LYS A 106 -1.114 -5.304 6.270 1.00 0.00 C ATOM 1678 O LYS A 106 -0.926 -5.041 7.458 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.494 -5.333 5.381 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.835 -6.146 6.614 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.218 -6.768 6.489 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.537 -7.688 7.657 1.00 0.00 C ATOM 1683 NZ LYS A 106 -4.730 -8.935 7.621 1.00 0.00 N ATOM 0 H LYS A 106 -2.192 -4.742 3.372 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.359 -3.615 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.303 -4.627 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.453 -6.004 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.091 -6.930 6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.797 -5.508 7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.967 -5.978 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.280 -7.330 5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.350 -7.163 8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.597 -7.942 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.083 -9.598 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.808 -9.372 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.734 -8.710 7.816 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.413 -6.219 5.614 1.00 0.00 N ATOM 1698 CA CYS A 107 0.658 -6.973 6.252 1.00 0.00 C ATOM 1699 C CYS A 107 1.777 -6.048 6.717 1.00 0.00 C ATOM 1700 O CYS A 107 2.311 -6.191 7.821 1.00 0.00 O ATOM 1701 CB CYS A 107 1.216 -8.014 5.272 1.00 0.00 C ATOM 1702 SG CYS A 107 2.788 -8.790 5.795 1.00 0.00 S ATOM 0 H CYS A 107 -0.568 -6.458 4.635 1.00 0.00 H new ATOM 0 HA CYS A 107 0.247 -7.478 7.126 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.470 -8.796 5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.366 -7.537 4.303 1.00 0.00 H new ATOM 1707 N PHE A 108 2.110 -5.083 5.872 1.00 0.00 N ATOM 1708 CA PHE A 108 3.273 -4.245 6.095 1.00 0.00 C ATOM 1709 C PHE A 108 3.013 -3.210 7.187 1.00 0.00 C ATOM 1710 O PHE A 108 3.815 -3.069 8.112 1.00 0.00 O ATOM 1711 CB PHE A 108 3.676 -3.568 4.789 1.00 0.00 C ATOM 1712 CG PHE A 108 5.085 -3.046 4.790 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.131 -3.855 4.370 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.368 -1.756 5.206 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.429 -3.387 4.366 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.665 -1.283 5.204 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.697 -2.100 4.782 1.00 0.00 C ATOM 0 H PHE A 108 1.588 -4.863 5.024 1.00 0.00 H new ATOM 0 HA PHE A 108 4.094 -4.876 6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.562 -4.279 3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.992 -2.743 4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.927 -4.864 4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.565 -1.113 5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.234 -4.028 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.873 -0.275 5.532 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.712 -1.731 4.778 1.00 0.00 H new ATOM 1727 N GLN A 109 1.883 -2.508 7.106 1.00 0.00 N ATOM 1728 CA GLN A 109 1.569 -1.463 8.075 1.00 0.00 C ATOM 1729 C GLN A 109 1.324 -2.052 9.459 1.00 0.00 C ATOM 1730 O GLN A 109 1.392 -1.345 10.464 1.00 0.00 O ATOM 1731 CB GLN A 109 0.347 -0.658 7.639 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.918 -1.485 7.498 1.00 0.00 C ATOM 1733 CD GLN A 109 -2.179 -0.674 7.741 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -2.223 0.530 7.482 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.210 -1.327 8.253 1.00 0.00 N ATOM 0 H GLN A 109 1.175 -2.644 6.384 1.00 0.00 H new ATOM 0 HA GLN A 109 2.431 -0.798 8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.171 0.137 8.364 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.563 -0.177 6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.956 -1.916 6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.884 -2.316 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.134 -2.324 8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.081 -0.833 8.447 1.00 0.00 H new ATOM 1744 N LYS A 110 1.045 -3.350 9.505 1.00 0.00 N ATOM 1745 CA LYS A 110 0.795 -4.038 10.758 1.00 0.00 C ATOM 1746 C LYS A 110 2.030 -3.993 11.650 1.00 0.00 C ATOM 1747 O LYS A 110 1.928 -3.909 12.872 1.00 0.00 O ATOM 1748 CB LYS A 110 0.414 -5.490 10.478 1.00 0.00 C ATOM 1749 CG LYS A 110 0.028 -6.266 11.719 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.300 -7.714 11.398 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.923 -8.417 12.593 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.217 -7.797 12.987 1.00 0.00 N ATOM 0 H LYS A 110 0.987 -3.947 8.680 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.025 -3.538 11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.418 -5.509 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.253 -5.990 9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.845 -6.229 12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.834 -5.794 12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.985 -7.755 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.608 -8.237 11.098 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.082 -9.468 12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.232 -8.383 13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.760 -8.467 13.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.035 -6.932 13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.762 -7.559 12.134 1.00 0.00 H new ATOM 1766 N ASN A 111 3.199 -4.031 11.026 1.00 0.00 N ATOM 1767 CA ASN A 111 4.451 -4.086 11.765 1.00 0.00 C ATOM 1768 C ASN A 111 5.275 -2.829 11.542 1.00 0.00 C ATOM 1769 O ASN A 111 6.024 -2.404 12.420 1.00 0.00 O ATOM 1770 CB ASN A 111 5.274 -5.307 11.347 1.00 0.00 C ATOM 1771 CG ASN A 111 4.548 -6.617 11.578 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.644 -7.213 12.651 1.00 0.00 O ATOM 1773 ND2 ASN A 111 3.827 -7.087 10.570 1.00 0.00 N ATOM 0 H ASN A 111 3.306 -4.025 10.012 1.00 0.00 H new ATOM 0 HA ASN A 111 4.201 -4.163 12.823 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.531 -5.221 10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.211 -5.314 11.903 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.328 -7.971 10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.771 -6.565 9.696 1.00 0.00 H new ATOM 1780 N ASN A 112 5.123 -2.228 10.374 1.00 0.00 N ATOM 1781 CA ASN A 112 5.990 -1.131 9.971 1.00 0.00 C ATOM 1782 C ASN A 112 5.187 0.032 9.412 1.00 0.00 C ATOM 1783 O ASN A 112 5.302 0.370 8.236 1.00 0.00 O ATOM 1784 CB ASN A 112 6.991 -1.618 8.922 1.00 0.00 C ATOM 1785 CG ASN A 112 8.018 -2.580 9.486 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.497 -2.416 10.609 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.338 -3.615 8.726 1.00 0.00 N ATOM 0 H ASN A 112 4.410 -2.479 9.689 1.00 0.00 H new ATOM 0 HA ASN A 112 6.524 -0.782 10.855 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.451 -2.106 8.111 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.504 -0.759 8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.002 -4.311 9.065 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.920 -3.717 7.801 1.00 0.00 H new ATOM 1794 N LEU A 113 4.376 0.652 10.255 1.00 0.00 N ATOM 1795 CA LEU A 113 3.574 1.789 9.822 1.00 0.00 C ATOM 1796 C LEU A 113 4.398 3.072 9.891 1.00 0.00 C ATOM 1797 O LEU A 113 4.146 4.031 9.159 1.00 0.00 O ATOM 1798 CB LEU A 113 2.305 1.914 10.668 1.00 0.00 C ATOM 1799 CG LEU A 113 1.426 3.123 10.356 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.875 3.025 8.942 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.296 3.223 11.367 1.00 0.00 C ATOM 0 H LEU A 113 4.255 0.392 11.234 1.00 0.00 H new ATOM 0 HA LEU A 113 3.272 1.625 8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.710 1.010 10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.592 1.956 11.719 1.00 0.00 H new ATOM 0 HG LEU A 113 2.032 4.026 10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.250 3.894 8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.701 2.993 8.231 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.278 2.118 8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.324 4.089 11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.312 2.319 11.324 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.712 3.333 12.368 1.00 0.00 H new ATOM 1813 N SER A 114 5.398 3.071 10.764 1.00 0.00 N ATOM 1814 CA SER A 114 6.281 4.220 10.925 1.00 0.00 C ATOM 1815 C SER A 114 7.064 4.480 9.640 1.00 0.00 C ATOM 1816 O SER A 114 7.251 5.630 9.239 1.00 0.00 O ATOM 1817 CB SER A 114 7.239 3.987 12.095 1.00 0.00 C ATOM 1818 OG SER A 114 6.522 3.661 13.277 1.00 0.00 O ATOM 0 H SER A 114 5.618 2.284 11.374 1.00 0.00 H new ATOM 0 HA SER A 114 5.672 5.099 11.139 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.930 3.181 11.850 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.839 4.881 12.263 1.00 0.00 H new ATOM 0 HG SER A 114 7.153 3.514 14.012 1.00 0.00 H new ATOM 1824 N LEU A 115 7.495 3.406 8.985 1.00 0.00 N ATOM 1825 CA LEU A 115 8.236 3.519 7.739 1.00 0.00 C ATOM 1826 C LEU A 115 7.349 4.095 6.645 1.00 0.00 C ATOM 1827 O LEU A 115 7.804 4.866 5.805 1.00 0.00 O ATOM 1828 CB LEU A 115 8.766 2.153 7.310 1.00 0.00 C ATOM 1829 CG LEU A 115 9.660 2.162 6.072 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.918 2.954 6.347 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.011 0.747 5.650 1.00 0.00 C ATOM 0 H LEU A 115 7.342 2.448 9.299 1.00 0.00 H new ATOM 0 HA LEU A 115 9.079 4.191 7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.326 1.721 8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.918 1.495 7.121 1.00 0.00 H new ATOM 0 HG LEU A 115 9.114 2.635 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.549 2.955 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.653 3.979 6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.460 2.500 7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.648 0.778 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.540 0.246 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.097 0.199 5.419 1.00 0.00 H new ATOM 1843 N ILE A 116 6.076 3.724 6.675 1.00 0.00 N ATOM 1844 CA ILE A 116 5.116 4.188 5.686 1.00 0.00 C ATOM 1845 C ILE A 116 4.885 5.689 5.838 1.00 0.00 C ATOM 1846 O ILE A 116 4.812 6.426 4.857 1.00 0.00 O ATOM 1847 CB ILE A 116 3.774 3.435 5.818 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.994 1.927 5.677 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.778 3.926 4.779 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.720 1.120 5.765 1.00 0.00 C ATOM 0 H ILE A 116 5.684 3.099 7.379 1.00 0.00 H new ATOM 0 HA ILE A 116 5.528 3.986 4.697 1.00 0.00 H new ATOM 0 HB ILE A 116 3.363 3.636 6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.476 1.726 4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.680 1.594 6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.840 3.383 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.599 4.992 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.180 3.756 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.952 0.061 5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.247 1.291 6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.040 1.425 4.970 1.00 0.00 H new ATOM 1862 N LYS A 117 4.795 6.128 7.085 1.00 0.00 N ATOM 1863 CA LYS A 117 4.616 7.537 7.401 1.00 0.00 C ATOM 1864 C LYS A 117 5.814 8.358 6.932 1.00 0.00 C ATOM 1865 O LYS A 117 5.654 9.418 6.324 1.00 0.00 O ATOM 1866 CB LYS A 117 4.426 7.713 8.907 1.00 0.00 C ATOM 1867 CG LYS A 117 3.064 7.254 9.413 1.00 0.00 C ATOM 1868 CD LYS A 117 2.983 7.314 10.933 1.00 0.00 C ATOM 1869 CE LYS A 117 1.556 7.150 11.433 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.705 8.315 11.078 1.00 0.00 N ATOM 0 H LYS A 117 4.844 5.520 7.903 1.00 0.00 H new ATOM 0 HA LYS A 117 3.728 7.894 6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.204 7.156 9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.562 8.764 9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.284 7.881 8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.875 6.234 9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.610 6.531 11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.382 8.267 11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.125 6.243 11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.563 7.023 12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.164 8.617 11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.307 9.099 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.048 8.046 10.318 1.00 0.00 H new ATOM 1884 N ALA A 118 7.007 7.859 7.221 1.00 0.00 N ATOM 1885 CA ALA A 118 8.243 8.538 6.856 1.00 0.00 C ATOM 1886 C ALA A 118 8.489 8.485 5.353 1.00 0.00 C ATOM 1887 O ALA A 118 9.115 9.380 4.785 1.00 0.00 O ATOM 1888 CB ALA A 118 9.400 7.905 7.594 1.00 0.00 C ATOM 0 H ALA A 118 7.146 6.976 7.713 1.00 0.00 H new ATOM 0 HA ALA A 118 8.153 9.587 7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.326 8.412 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.239 7.995 8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.471 6.851 7.325 1.00 0.00 H new ATOM 1894 N SER A 119 8.001 7.424 4.728 1.00 0.00 N ATOM 1895 CA SER A 119 8.160 7.211 3.293 1.00 0.00 C ATOM 1896 C SER A 119 7.618 8.386 2.476 1.00 0.00 C ATOM 1897 O SER A 119 8.248 8.826 1.515 1.00 0.00 O ATOM 1898 CB SER A 119 7.449 5.918 2.884 1.00 0.00 C ATOM 1899 OG SER A 119 7.585 5.668 1.500 1.00 0.00 O ATOM 0 H SER A 119 7.482 6.684 5.200 1.00 0.00 H new ATOM 0 HA SER A 119 9.227 7.131 3.083 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.861 5.081 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.392 5.986 3.140 1.00 0.00 H new ATOM 0 HG SER A 119 8.512 5.832 1.227 1.00 0.00 H new ATOM 1905 N ILE A 120 6.454 8.891 2.863 1.00 0.00 N ATOM 1906 CA ILE A 120 5.815 9.975 2.127 1.00 0.00 C ATOM 1907 C ILE A 120 6.206 11.339 2.692 1.00 0.00 C ATOM 1908 O ILE A 120 5.739 12.379 2.219 1.00 0.00 O ATOM 1909 CB ILE A 120 4.278 9.834 2.138 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.751 9.762 3.570 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.860 8.600 1.359 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.245 9.858 3.659 1.00 0.00 C ATOM 0 H ILE A 120 5.934 8.569 3.679 1.00 0.00 H new ATOM 0 HA ILE A 120 6.167 9.907 1.098 1.00 0.00 H new ATOM 0 HB ILE A 120 3.848 10.714 1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.076 8.825 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.195 10.568 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.774 8.511 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.203 8.687 0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.303 7.715 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.938 9.800 4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.915 10.807 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.795 9.036 3.102 1.00 0.00 H new ATOM 1924 N LYS A 121 7.064 11.327 3.701 1.00 0.00 N ATOM 1925 CA LYS A 121 7.517 12.550 4.342 1.00 0.00 C ATOM 1926 C LYS A 121 8.782 13.078 3.664 1.00 0.00 C ATOM 1927 O LYS A 121 9.824 12.417 3.692 1.00 0.00 O ATOM 1928 CB LYS A 121 7.788 12.262 5.822 1.00 0.00 C ATOM 1929 CG LYS A 121 8.217 13.473 6.640 1.00 0.00 C ATOM 1930 CD LYS A 121 7.123 14.526 6.712 1.00 0.00 C ATOM 1931 CE LYS A 121 7.470 15.619 7.710 1.00 0.00 C ATOM 1932 NZ LYS A 121 8.795 16.234 7.429 1.00 0.00 N ATOM 0 H LYS A 121 7.463 10.475 4.096 1.00 0.00 H new ATOM 0 HA LYS A 121 6.744 13.314 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.886 11.842 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.564 11.500 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.481 13.155 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 121 9.113 13.910 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.974 14.966 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.182 14.056 6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.700 16.390 7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.471 15.203 8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.932 17.060 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.546 15.538 7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.834 16.534 6.434 1.00 0.00 H new ATOM 1946 N LYS A 122 8.676 14.280 3.085 1.00 0.00 N ATOM 1947 CA LYS A 122 9.795 14.957 2.416 1.00 0.00 C ATOM 1948 C LYS A 122 10.231 14.236 1.141 1.00 0.00 C ATOM 1949 O LYS A 122 10.245 13.009 1.059 1.00 0.00 O ATOM 1950 CB LYS A 122 10.998 15.108 3.353 1.00 0.00 C ATOM 1951 CG LYS A 122 11.666 16.477 3.289 1.00 0.00 C ATOM 1952 CD LYS A 122 10.701 17.605 3.619 1.00 0.00 C ATOM 1953 CE LYS A 122 11.343 18.962 3.393 1.00 0.00 C ATOM 1954 NZ LYS A 122 10.361 20.069 3.528 1.00 0.00 N ATOM 0 H LYS A 122 7.807 14.814 3.067 1.00 0.00 H new ATOM 0 HA LYS A 122 9.429 15.946 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 122 10.674 14.921 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 122 11.735 14.344 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 122 12.504 16.503 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.076 16.633 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 122 9.808 17.515 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 122 10.380 17.520 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 122 12.152 19.105 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 122 11.789 18.992 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 10.839 20.979 3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.602 19.947 2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.954 20.057 4.485 1.00 0.00 H new ATOM 1968 N ASP A 123 10.575 15.025 0.135 1.00 0.00 N ATOM 1969 CA ASP A 123 11.113 14.494 -1.108 1.00 0.00 C ATOM 1970 C ASP A 123 12.629 14.405 -1.021 1.00 0.00 C ATOM 1971 O ASP A 123 13.153 13.288 -0.817 1.00 0.00 O ATOM 1972 CB ASP A 123 10.706 15.369 -2.294 1.00 0.00 C ATOM 1973 CG ASP A 123 11.234 14.838 -3.612 1.00 0.00 C ATOM 1974 OD1 ASP A 123 11.968 15.571 -4.307 1.00 0.00 O ATOM 1975 OD2 ASP A 123 10.912 13.684 -3.967 1.00 0.00 O ATOM 1976 OXT ASP A 123 13.294 15.457 -1.116 1.00 0.00 O ATOM 0 H ASP A 123 10.490 16.041 0.156 1.00 0.00 H new ATOM 0 HA ASP A 123 10.703 13.496 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 123 9.619 15.431 -2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.077 16.382 -2.139 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.597 6.530 2.187 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.895 5.274 1.736 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.712 5.645 0.853 1.00 0.00 C HETATM 1985 C4 ACD A 201 -1.896 4.411 0.471 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.268 3.824 1.705 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.089 4.245 2.091 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.563 5.391 1.359 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.828 5.818 2.054 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.971 5.264 1.733 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.028 4.253 0.621 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.412 3.677 0.523 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.577 2.397 0.332 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.389 1.509 0.103 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.894 1.010 1.430 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.816 -0.274 1.659 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.324 -1.252 0.634 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.466 -2.629 1.267 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.735 -3.698 0.211 1.00 0.00 C HETATM 2000 C19 ACD A 201 3.994 -5.049 0.874 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.143 -6.154 -0.163 1.00 0.00 C HETATM 2002 O1 ACD A 201 -4.716 6.740 3.405 1.00 0.00 O HETATM 2003 O2 ACD A 201 -5.027 7.313 1.325 1.00 0.00 O HETATM 0 H203 ACD A 201 3.228 -6.226 -0.752 1.00 0.00 H new HETATM 0 H202 ACD A 201 4.981 -5.925 -0.821 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.326 -7.103 0.341 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.898 -4.992 1.480 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.172 -5.289 1.549 1.00 0.00 H new HETATM 0 H182 ACD A 201 2.882 -3.774 -0.463 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.595 -3.412 -0.394 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.280 -2.617 1.991 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.556 -2.876 1.814 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.637 -1.298 -0.211 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.286 -0.919 0.244 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.601 2.059 -0.411 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.663 0.670 -0.537 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.306 3.457 0.804 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.753 4.722 -0.323 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.879 5.535 2.271 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.793 6.588 2.824 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.788 5.093 0.335 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.128 6.232 1.302 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.416 3.772 2.933 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.790 3.054 2.274 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.537 3.672 -0.010 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.124 4.681 -0.250 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.070 6.140 -0.049 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.074 6.358 1.376 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.553 4.705 2.601 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.586 4.635 1.187 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.383 -0.637 2.592 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.599 1.720 2.203 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.580 1.971 0.339 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.280 4.330 0.612 1.00 0.00 H new