USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 985 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 LYS NZ :NH3+ 154:sc= -0.0879 (180deg=-0.413) USER MOD Set 1.2: A 68 SER OG : rot 180:sc=-0.00294 USER MOD Set 2.1: A 31 LYS NZ :NH3+ -153:sc= -1.47 (180deg=-2.18!) USER MOD Set 2.2: A 34 GLN : amide:sc= -3.8 K(o=-5.3,f=-14!) USER MOD Single : A 1 PHE N :NH3+ -144:sc= 0.0424 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -80:sc= -1.13! USER MOD Single : A 23 TYR OH : rot 165:sc= -0.79 USER MOD Single : A 24 SER OG : rot -74:sc= -0.49 USER MOD Single : A 27 SER OG : rot -69:sc= 0.836 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.66) USER MOD Single : A 30 ASN : amide:sc= -0.825 X(o=-0.82,f=-0.39) USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -2.93! (180deg=-3.02!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.623 F(o=-1.9,f=-0.62) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.943 (180deg=-1.66) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -171:sc= -1.25 (180deg=-1.47) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.624 F(o=-1.4,f=-0.62) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 170:sc= -1.05 (180deg=-1.13) USER MOD Single : A 73 THR OG1 : rot 62:sc= -5.35! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 158:sc= -0.962 (180deg=-1.46) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -90:sc= -1.29 USER MOD Single : A 83 SER OG : rot -49:sc= 1.13 USER MOD Single : A 84 ASN : amide:sc= -0.531 K(o=-0.53,f=-3.2!) USER MOD Single : A 87 ASN : amide:sc= -2.61 K(o=-2.6,f=-4.1) USER MOD Single : A 92 ASN : amide:sc= -0.0702 K(o=-0.07,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 110:sc= -3.07! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HE2:sc= -4.68! C(o=-4.7!,f=-11!) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -9.725 -9.482 22.717 1.00 0.00 N ATOM 2 CA PHE A 1 -8.872 -9.485 23.935 1.00 0.00 C ATOM 3 C PHE A 1 -9.419 -8.534 24.994 1.00 0.00 C ATOM 4 O PHE A 1 -10.479 -7.935 24.817 1.00 0.00 O ATOM 5 CB PHE A 1 -7.453 -9.073 23.537 1.00 0.00 C ATOM 6 CG PHE A 1 -6.381 -9.825 24.274 1.00 0.00 C ATOM 7 CD1 PHE A 1 -6.185 -11.178 24.047 1.00 0.00 C ATOM 8 CD2 PHE A 1 -5.571 -9.178 25.193 1.00 0.00 C ATOM 9 CE1 PHE A 1 -5.200 -11.872 24.724 1.00 0.00 C ATOM 10 CE2 PHE A 1 -4.584 -9.867 25.872 1.00 0.00 C ATOM 11 CZ PHE A 1 -4.398 -11.216 25.637 1.00 0.00 C ATOM 0 H1 PHE A 1 -9.759 -10.440 22.315 1.00 0.00 H new ATOM 0 H2 PHE A 1 -10.687 -9.177 22.968 1.00 0.00 H new ATOM 0 H3 PHE A 1 -9.326 -8.826 22.015 1.00 0.00 H new ATOM 0 HA PHE A 1 -8.866 -10.486 24.365 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -7.325 -9.230 22.466 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -7.328 -8.006 23.720 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -6.809 -11.696 23.333 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -5.712 -8.124 25.381 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -5.058 -12.926 24.539 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -3.959 -9.352 26.586 1.00 0.00 H new ATOM 0 HZ PHE A 1 -3.627 -11.756 26.166 1.00 0.00 H new ATOM 22 N ALA A 2 -8.687 -8.399 26.095 1.00 0.00 N ATOM 23 CA ALA A 2 -9.098 -7.520 27.183 1.00 0.00 C ATOM 24 C ALA A 2 -7.961 -6.593 27.599 1.00 0.00 C ATOM 25 O ALA A 2 -6.787 -6.937 27.467 1.00 0.00 O ATOM 26 CB ALA A 2 -9.575 -8.340 28.372 1.00 0.00 C ATOM 0 H ALA A 2 -7.806 -8.887 26.257 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.923 -6.903 26.827 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.879 -7.671 29.177 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.423 -8.956 28.073 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.765 -8.982 28.720 1.00 0.00 H new ATOM 32 N LYS A 3 -8.319 -5.416 28.103 1.00 0.00 N ATOM 33 CA LYS A 3 -7.328 -4.439 28.539 1.00 0.00 C ATOM 34 C LYS A 3 -6.426 -4.024 27.381 1.00 0.00 C ATOM 35 O LYS A 3 -6.639 -4.432 26.238 1.00 0.00 O ATOM 36 CB LYS A 3 -6.483 -5.013 29.677 1.00 0.00 C ATOM 37 CG LYS A 3 -6.099 -3.983 30.728 1.00 0.00 C ATOM 38 CD LYS A 3 -6.051 -4.597 32.117 1.00 0.00 C ATOM 39 CE LYS A 3 -5.373 -3.669 33.114 1.00 0.00 C ATOM 40 NZ LYS A 3 -6.001 -3.747 34.461 1.00 0.00 N ATOM 0 H LYS A 3 -9.287 -5.116 28.219 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.858 -3.556 28.897 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.035 -5.821 30.157 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.576 -5.450 29.260 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.126 -3.557 30.483 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.818 -3.164 30.716 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.064 -4.817 32.454 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.515 -5.545 32.078 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.317 -3.928 33.190 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.424 -2.643 32.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.510 -3.100 35.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.003 -3.476 34.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.929 -4.720 34.822 1.00 0.00 H new ATOM 54 N LEU A 4 -5.419 -3.210 27.683 1.00 0.00 N ATOM 55 CA LEU A 4 -4.486 -2.740 26.666 1.00 0.00 C ATOM 56 C LEU A 4 -5.211 -1.943 25.588 1.00 0.00 C ATOM 57 O LEU A 4 -5.905 -2.510 24.743 1.00 0.00 O ATOM 58 CB LEU A 4 -3.749 -3.922 26.034 1.00 0.00 C ATOM 59 CG LEU A 4 -3.213 -4.956 27.026 1.00 0.00 C ATOM 60 CD1 LEU A 4 -3.228 -6.346 26.409 1.00 0.00 C ATOM 61 CD2 LEU A 4 -1.806 -4.585 27.472 1.00 0.00 C ATOM 0 H LEU A 4 -5.229 -2.863 28.623 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.761 -2.085 27.150 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.424 -4.423 25.340 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.915 -3.538 25.446 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.862 -4.963 27.902 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.843 -7.068 27.129 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.250 -6.613 26.138 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.602 -6.355 25.517 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.439 -5.331 28.177 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.147 -4.551 26.605 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.823 -3.607 27.954 1.00 0.00 H new ATOM 73 N VAL A 5 -5.046 -0.624 25.621 1.00 0.00 N ATOM 74 CA VAL A 5 -5.685 0.251 24.646 1.00 0.00 C ATOM 75 C VAL A 5 -4.746 0.559 23.486 1.00 0.00 C ATOM 76 O VAL A 5 -5.169 0.631 22.332 1.00 0.00 O ATOM 77 CB VAL A 5 -6.137 1.575 25.290 1.00 0.00 C ATOM 78 CG1 VAL A 5 -6.974 2.387 24.313 1.00 0.00 C ATOM 79 CG2 VAL A 5 -6.910 1.307 26.572 1.00 0.00 C ATOM 0 H VAL A 5 -4.475 -0.138 26.313 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.560 -0.280 24.271 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.250 2.157 25.542 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.284 3.319 24.786 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.382 2.610 23.425 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.856 1.815 24.027 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.222 2.254 27.014 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.790 0.704 26.347 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.273 0.771 27.275 1.00 0.00 H new ATOM 89 N ARG A 6 -3.467 0.740 23.798 1.00 0.00 N ATOM 90 CA ARG A 6 -2.465 1.041 22.782 1.00 0.00 C ATOM 91 C ARG A 6 -2.801 2.340 22.055 1.00 0.00 C ATOM 92 O ARG A 6 -3.432 2.326 20.998 1.00 0.00 O ATOM 93 CB ARG A 6 -2.368 -0.109 21.777 1.00 0.00 C ATOM 94 CG ARG A 6 -1.388 -1.196 22.189 1.00 0.00 C ATOM 95 CD ARG A 6 -0.930 -2.014 20.993 1.00 0.00 C ATOM 96 NE ARG A 6 0.460 -2.445 21.125 1.00 0.00 N ATOM 97 CZ ARG A 6 1.506 -1.659 20.883 1.00 0.00 C ATOM 98 NH1 ARG A 6 1.325 -0.402 20.498 1.00 0.00 N ATOM 99 NH2 ARG A 6 2.736 -2.130 21.028 1.00 0.00 N ATOM 0 H ARG A 6 -3.100 0.683 24.748 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.503 1.163 23.280 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.356 -0.552 21.648 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.068 0.290 20.808 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.523 -0.743 22.674 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.858 -1.852 22.922 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.572 -2.888 20.884 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.041 -1.422 20.085 1.00 0.00 H new ATOM 0 HE ARG A 6 0.639 -3.405 21.420 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.380 -0.034 20.386 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.131 0.196 20.314 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.881 -3.095 21.325 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.538 -1.528 20.843 1.00 0.00 H new ATOM 113 N PRO A 7 -2.378 3.488 22.614 1.00 0.00 N ATOM 114 CA PRO A 7 -2.636 4.800 22.012 1.00 0.00 C ATOM 115 C PRO A 7 -2.200 4.863 20.551 1.00 0.00 C ATOM 116 O PRO A 7 -1.503 3.972 20.064 1.00 0.00 O ATOM 117 CB PRO A 7 -1.794 5.754 22.863 1.00 0.00 C ATOM 118 CG PRO A 7 -1.653 5.067 24.177 1.00 0.00 C ATOM 119 CD PRO A 7 -1.618 3.596 23.873 1.00 0.00 C ATOM 0 HA PRO A 7 -3.699 5.042 22.003 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.822 5.938 22.406 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.283 6.722 22.973 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.742 5.382 24.686 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.487 5.310 24.836 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.596 3.234 23.758 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.076 3.010 24.670 1.00 0.00 H new ATOM 127 N PRO A 8 -2.605 5.922 19.828 1.00 0.00 N ATOM 128 CA PRO A 8 -2.252 6.095 18.416 1.00 0.00 C ATOM 129 C PRO A 8 -0.762 6.356 18.221 1.00 0.00 C ATOM 130 O PRO A 8 -0.096 6.896 19.104 1.00 0.00 O ATOM 131 CB PRO A 8 -3.068 7.317 17.988 1.00 0.00 C ATOM 132 CG PRO A 8 -3.320 8.067 19.248 1.00 0.00 C ATOM 133 CD PRO A 8 -3.437 7.031 20.331 1.00 0.00 C ATOM 0 HA PRO A 8 -2.465 5.200 17.832 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.521 7.926 17.268 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.002 7.021 17.510 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.506 8.761 19.458 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.232 8.659 19.174 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.073 7.406 21.288 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.471 6.722 20.482 1.00 0.00 H new ATOM 141 N VAL A 9 -0.245 5.966 17.061 1.00 0.00 N ATOM 142 CA VAL A 9 1.167 6.158 16.752 1.00 0.00 C ATOM 143 C VAL A 9 1.390 6.290 15.248 1.00 0.00 C ATOM 144 O VAL A 9 1.748 7.360 14.757 1.00 0.00 O ATOM 145 CB VAL A 9 2.023 4.996 17.288 1.00 0.00 C ATOM 146 CG1 VAL A 9 3.504 5.308 17.136 1.00 0.00 C ATOM 147 CG2 VAL A 9 1.679 4.704 18.741 1.00 0.00 C ATOM 0 H VAL A 9 -0.782 5.515 16.320 1.00 0.00 H new ATOM 0 HA VAL A 9 1.474 7.081 17.243 1.00 0.00 H new ATOM 0 HB VAL A 9 1.801 4.105 16.700 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.093 4.475 17.520 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.737 5.461 16.082 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.745 6.211 17.696 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.294 3.880 19.102 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.870 5.591 19.345 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.626 4.432 18.818 1.00 0.00 H new ATOM 157 N GLN A 10 1.182 5.194 14.523 1.00 0.00 N ATOM 158 CA GLN A 10 1.366 5.194 13.075 1.00 0.00 C ATOM 159 C GLN A 10 0.223 4.461 12.376 1.00 0.00 C ATOM 160 O GLN A 10 -0.368 4.976 11.427 1.00 0.00 O ATOM 161 CB GLN A 10 2.702 4.543 12.709 1.00 0.00 C ATOM 162 CG GLN A 10 3.838 4.905 13.652 1.00 0.00 C ATOM 163 CD GLN A 10 5.157 5.098 12.929 1.00 0.00 C ATOM 164 OE1 GLN A 10 5.510 6.212 12.543 1.00 0.00 O ATOM 165 NE2 GLN A 10 5.893 4.009 12.740 1.00 0.00 N ATOM 0 H GLN A 10 0.887 4.299 14.912 1.00 0.00 H new ATOM 0 HA GLN A 10 1.368 6.230 12.737 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.578 3.460 12.702 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.975 4.839 11.696 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.584 5.820 14.187 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.949 4.119 14.399 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.562 3.105 13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.789 4.077 12.258 1.00 0.00 H new ATOM 174 N ILE A 11 -0.083 3.257 12.850 1.00 0.00 N ATOM 175 CA ILE A 11 -1.153 2.452 12.268 1.00 0.00 C ATOM 176 C ILE A 11 -2.479 2.699 12.986 1.00 0.00 C ATOM 177 O ILE A 11 -3.261 1.775 13.204 1.00 0.00 O ATOM 178 CB ILE A 11 -0.809 0.939 12.316 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.957 0.367 13.733 1.00 0.00 C ATOM 180 CG2 ILE A 11 0.605 0.704 11.814 1.00 0.00 C ATOM 181 CD1 ILE A 11 -1.469 -1.057 13.756 1.00 0.00 C ATOM 0 H ILE A 11 0.395 2.817 13.636 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.253 2.755 11.226 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.517 0.423 11.668 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.010 0.406 14.235 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.638 0.999 14.303 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.833 -0.361 11.853 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.689 1.055 10.786 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.309 1.249 12.442 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.550 -1.398 14.788 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.450 -1.099 13.282 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.777 -1.701 13.214 1.00 0.00 H new ATOM 193 N TYR A 12 -2.714 3.945 13.381 1.00 0.00 N ATOM 194 CA TYR A 12 -3.930 4.284 14.107 1.00 0.00 C ATOM 195 C TYR A 12 -4.364 5.722 13.835 1.00 0.00 C ATOM 196 O TYR A 12 -4.933 6.379 14.707 1.00 0.00 O ATOM 197 CB TYR A 12 -3.713 4.087 15.614 1.00 0.00 C ATOM 198 CG TYR A 12 -2.647 3.060 15.959 1.00 0.00 C ATOM 199 CD1 TYR A 12 -1.319 3.242 15.576 1.00 0.00 C ATOM 200 CD2 TYR A 12 -2.969 1.908 16.664 1.00 0.00 C ATOM 201 CE1 TYR A 12 -0.351 2.308 15.886 1.00 0.00 C ATOM 202 CE2 TYR A 12 -2.005 0.970 16.980 1.00 0.00 C ATOM 203 CZ TYR A 12 -0.699 1.174 16.588 1.00 0.00 C ATOM 204 OH TYR A 12 0.264 0.241 16.901 1.00 0.00 O ATOM 0 H TYR A 12 -2.085 4.730 13.212 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.721 3.620 13.759 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.438 5.043 16.059 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.656 3.783 16.069 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.043 4.130 15.027 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.991 1.742 16.971 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.673 2.465 15.580 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.273 0.081 17.532 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.145 -0.498 17.398 1.00 0.00 H new ATOM 214 N GLY A 13 -4.095 6.212 12.628 1.00 0.00 N ATOM 215 CA GLY A 13 -4.470 7.566 12.289 1.00 0.00 C ATOM 216 C GLY A 13 -4.918 7.703 10.854 1.00 0.00 C ATOM 217 O GLY A 13 -5.917 7.113 10.442 1.00 0.00 O ATOM 0 H GLY A 13 -3.626 5.695 11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.274 7.892 12.949 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.623 8.229 12.466 1.00 0.00 H new ATOM 221 N ILE A 14 -4.164 8.478 10.090 1.00 0.00 N ATOM 222 CA ILE A 14 -4.467 8.690 8.683 1.00 0.00 C ATOM 223 C ILE A 14 -4.011 7.488 7.876 1.00 0.00 C ATOM 224 O ILE A 14 -4.657 7.085 6.909 1.00 0.00 O ATOM 225 CB ILE A 14 -3.791 9.964 8.138 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.233 10.227 6.697 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.276 9.842 8.218 1.00 0.00 C ATOM 228 CD1 ILE A 14 -5.720 10.473 6.558 1.00 0.00 C ATOM 0 H ILE A 14 -3.335 8.972 10.422 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.546 8.817 8.590 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.099 10.809 8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.692 11.091 6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.954 9.374 6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.817 10.751 7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.977 9.700 9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.948 8.988 7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.963 10.652 5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.268 9.600 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.002 11.344 7.150 1.00 0.00 H new ATOM 240 N GLU A 15 -2.896 6.907 8.303 1.00 0.00 N ATOM 241 CA GLU A 15 -2.349 5.734 7.648 1.00 0.00 C ATOM 242 C GLU A 15 -3.126 4.493 8.071 1.00 0.00 C ATOM 243 O GLU A 15 -3.189 3.508 7.336 1.00 0.00 O ATOM 244 CB GLU A 15 -0.867 5.573 7.991 1.00 0.00 C ATOM 245 CG GLU A 15 0.046 6.474 7.173 1.00 0.00 C ATOM 246 CD GLU A 15 0.452 7.727 7.922 1.00 0.00 C ATOM 247 OE1 GLU A 15 -0.223 8.072 8.914 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.447 8.365 7.517 1.00 0.00 O ATOM 0 H GLU A 15 -2.354 7.234 9.103 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.442 5.859 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.722 5.787 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.576 4.534 7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.940 5.918 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.460 6.755 6.249 1.00 0.00 H new ATOM 255 N GLY A 16 -3.730 4.551 9.261 1.00 0.00 N ATOM 256 CA GLY A 16 -4.503 3.424 9.744 1.00 0.00 C ATOM 257 C GLY A 16 -5.864 3.344 9.085 1.00 0.00 C ATOM 258 O GLY A 16 -6.373 2.254 8.827 1.00 0.00 O ATOM 0 H GLY A 16 -3.696 5.353 9.890 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.954 2.501 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.628 3.506 10.824 1.00 0.00 H new ATOM 262 N ARG A 17 -6.451 4.503 8.801 1.00 0.00 N ATOM 263 CA ARG A 17 -7.758 4.559 8.156 1.00 0.00 C ATOM 264 C ARG A 17 -7.616 4.387 6.649 1.00 0.00 C ATOM 265 O ARG A 17 -8.542 3.932 5.980 1.00 0.00 O ATOM 266 CB ARG A 17 -8.455 5.883 8.472 1.00 0.00 C ATOM 267 CG ARG A 17 -9.951 5.863 8.198 1.00 0.00 C ATOM 268 CD ARG A 17 -10.558 7.251 8.323 1.00 0.00 C ATOM 269 NE ARG A 17 -10.187 7.900 9.578 1.00 0.00 N ATOM 270 CZ ARG A 17 -10.319 9.205 9.804 1.00 0.00 C ATOM 271 NH1 ARG A 17 -10.812 10.003 8.864 1.00 0.00 N ATOM 272 NH2 ARG A 17 -9.957 9.715 10.973 1.00 0.00 N ATOM 0 H ARG A 17 -6.043 5.415 9.007 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.367 3.743 8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.289 6.130 9.521 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.996 6.676 7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.133 5.474 7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.441 5.186 8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.230 7.867 7.486 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.644 7.179 8.259 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.805 7.319 10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.092 9.617 7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.911 11.002 9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.577 9.107 11.699 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.058 10.715 11.146 1.00 0.00 H new ATOM 286 N TYR A 18 -6.447 4.738 6.120 1.00 0.00 N ATOM 287 CA TYR A 18 -6.187 4.602 4.693 1.00 0.00 C ATOM 288 C TYR A 18 -6.431 3.167 4.254 1.00 0.00 C ATOM 289 O TYR A 18 -7.173 2.909 3.306 1.00 0.00 O ATOM 290 CB TYR A 18 -4.743 5.001 4.377 1.00 0.00 C ATOM 291 CG TYR A 18 -4.599 6.380 3.778 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.406 7.430 4.196 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.652 6.630 2.795 1.00 0.00 C ATOM 294 CE1 TYR A 18 -5.272 8.692 3.650 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.510 7.888 2.245 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.323 8.916 2.675 1.00 0.00 C ATOM 297 OH TYR A 18 -4.185 10.171 2.129 1.00 0.00 O ATOM 0 H TYR A 18 -5.668 5.118 6.658 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.864 5.263 4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.155 4.952 5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.319 4.271 3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.150 7.257 4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.015 5.827 2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.907 9.499 3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.767 8.066 1.482 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.471 10.159 1.457 1.00 0.00 H new ATOM 307 N ALA A 19 -5.806 2.237 4.963 1.00 0.00 N ATOM 308 CA ALA A 19 -5.959 0.824 4.667 1.00 0.00 C ATOM 309 C ALA A 19 -7.400 0.392 4.879 1.00 0.00 C ATOM 310 O ALA A 19 -7.999 -0.252 4.023 1.00 0.00 O ATOM 311 CB ALA A 19 -5.022 0.001 5.537 1.00 0.00 C ATOM 0 H ALA A 19 -5.187 2.439 5.748 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.700 0.655 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.146 -1.057 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.991 0.297 5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.256 0.173 6.588 1.00 0.00 H new ATOM 317 N THR A 20 -7.952 0.753 6.030 1.00 0.00 N ATOM 318 CA THR A 20 -9.326 0.399 6.355 1.00 0.00 C ATOM 319 C THR A 20 -10.319 1.112 5.444 1.00 0.00 C ATOM 320 O THR A 20 -11.477 0.710 5.353 1.00 0.00 O ATOM 321 CB THR A 20 -9.631 0.706 7.819 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.705 1.637 8.338 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.587 -0.523 8.698 1.00 0.00 C ATOM 0 H THR A 20 -7.470 1.289 6.752 1.00 0.00 H new ATOM 0 HA THR A 20 -9.435 -0.673 6.193 1.00 0.00 H new ATOM 0 HB THR A 20 -10.643 1.112 7.830 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.874 1.175 8.574 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.812 -0.243 9.727 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.324 -1.246 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.593 -0.968 8.652 1.00 0.00 H new ATOM 331 N ALA A 21 -9.870 2.162 4.763 1.00 0.00 N ATOM 332 CA ALA A 21 -10.745 2.896 3.859 1.00 0.00 C ATOM 333 C ALA A 21 -10.526 2.471 2.412 1.00 0.00 C ATOM 334 O ALA A 21 -11.200 2.956 1.502 1.00 0.00 O ATOM 335 CB ALA A 21 -10.545 4.396 4.017 1.00 0.00 C ATOM 0 H ALA A 21 -8.916 2.520 4.819 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.775 2.657 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.208 4.926 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.773 4.688 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.510 4.651 3.789 1.00 0.00 H new ATOM 341 N LEU A 22 -9.603 1.540 2.209 1.00 0.00 N ATOM 342 CA LEU A 22 -9.317 1.021 0.878 1.00 0.00 C ATOM 343 C LEU A 22 -9.591 -0.463 0.870 1.00 0.00 C ATOM 344 O LEU A 22 -10.101 -1.015 -0.104 1.00 0.00 O ATOM 345 CB LEU A 22 -7.867 1.308 0.478 1.00 0.00 C ATOM 346 CG LEU A 22 -7.474 0.852 -0.930 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.240 -0.650 -0.960 1.00 0.00 C ATOM 348 CD2 LEU A 22 -8.540 1.249 -1.943 1.00 0.00 C ATOM 0 H LEU A 22 -9.038 1.128 2.952 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.958 1.516 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.691 2.381 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.206 0.823 1.197 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.543 1.350 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.962 -0.955 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.437 -0.907 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.153 -1.166 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.240 0.915 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.488 0.783 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.655 2.333 -1.944 1.00 0.00 H new ATOM 360 N TYR A 23 -9.285 -1.095 1.988 1.00 0.00 N ATOM 361 CA TYR A 23 -9.529 -2.497 2.147 1.00 0.00 C ATOM 362 C TYR A 23 -10.967 -2.705 2.617 1.00 0.00 C ATOM 363 O TYR A 23 -11.506 -3.802 2.495 1.00 0.00 O ATOM 364 CB TYR A 23 -8.519 -3.089 3.130 1.00 0.00 C ATOM 365 CG TYR A 23 -9.133 -3.687 4.366 1.00 0.00 C ATOM 366 CD1 TYR A 23 -9.809 -4.889 4.297 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.047 -3.045 5.590 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.385 -5.449 5.414 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.620 -3.589 6.715 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.289 -4.796 6.627 1.00 0.00 C ATOM 371 OH TYR A 23 -10.865 -5.345 7.749 1.00 0.00 O ATOM 0 H TYR A 23 -8.863 -0.645 2.800 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.404 -3.013 1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.940 -3.858 2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.819 -2.308 3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.887 -5.399 3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.522 -2.104 5.662 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -10.908 -6.391 5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.548 -3.076 7.663 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.515 -4.899 8.548 1.00 0.00 H new ATOM 381 N SER A 24 -11.604 -1.639 3.132 1.00 0.00 N ATOM 382 CA SER A 24 -12.989 -1.739 3.577 1.00 0.00 C ATOM 383 C SER A 24 -13.817 -2.374 2.471 1.00 0.00 C ATOM 384 O SER A 24 -14.694 -3.199 2.723 1.00 0.00 O ATOM 385 CB SER A 24 -13.545 -0.362 3.938 1.00 0.00 C ATOM 386 OG SER A 24 -12.839 0.667 3.267 1.00 0.00 O ATOM 0 H SER A 24 -11.184 -0.717 3.246 1.00 0.00 H new ATOM 0 HA SER A 24 -13.036 -2.359 4.472 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.602 -0.313 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.477 -0.210 5.015 1.00 0.00 H new ATOM 0 HG SER A 24 -11.961 0.787 3.685 1.00 0.00 H new ATOM 392 N ALA A 25 -13.485 -2.012 1.236 1.00 0.00 N ATOM 393 CA ALA A 25 -14.144 -2.573 0.072 1.00 0.00 C ATOM 394 C ALA A 25 -13.590 -3.965 -0.170 1.00 0.00 C ATOM 395 O ALA A 25 -14.319 -4.889 -0.534 1.00 0.00 O ATOM 396 CB ALA A 25 -13.933 -1.687 -1.147 1.00 0.00 C ATOM 0 H ALA A 25 -12.759 -1.329 1.020 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.218 -2.631 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.436 -2.127 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.345 -0.697 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.866 -1.601 -1.354 1.00 0.00 H new ATOM 402 N ALA A 26 -12.288 -4.105 0.063 1.00 0.00 N ATOM 403 CA ALA A 26 -11.616 -5.388 -0.098 1.00 0.00 C ATOM 404 C ALA A 26 -12.180 -6.424 0.871 1.00 0.00 C ATOM 405 O ALA A 26 -12.214 -7.615 0.569 1.00 0.00 O ATOM 406 CB ALA A 26 -10.120 -5.228 0.118 1.00 0.00 C ATOM 0 H ALA A 26 -11.678 -3.345 0.364 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.792 -5.740 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.629 -6.194 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.721 -4.523 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.936 -4.853 1.125 1.00 0.00 H new ATOM 412 N SER A 27 -12.620 -5.958 2.036 1.00 0.00 N ATOM 413 CA SER A 27 -13.186 -6.840 3.051 1.00 0.00 C ATOM 414 C SER A 27 -14.483 -7.462 2.552 1.00 0.00 C ATOM 415 O SER A 27 -14.655 -8.680 2.590 1.00 0.00 O ATOM 416 CB SER A 27 -13.442 -6.064 4.345 1.00 0.00 C ATOM 417 OG SER A 27 -14.702 -5.415 4.314 1.00 0.00 O ATOM 0 H SER A 27 -12.595 -4.973 2.301 1.00 0.00 H new ATOM 0 HA SER A 27 -12.470 -7.637 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.402 -6.746 5.195 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.653 -5.326 4.491 1.00 0.00 H new ATOM 0 HG SER A 27 -14.678 -4.685 3.661 1.00 0.00 H new ATOM 423 N LYS A 28 -15.391 -6.614 2.070 1.00 0.00 N ATOM 424 CA LYS A 28 -16.671 -7.082 1.548 1.00 0.00 C ATOM 425 C LYS A 28 -16.448 -8.155 0.491 1.00 0.00 C ATOM 426 O LYS A 28 -17.243 -9.084 0.353 1.00 0.00 O ATOM 427 CB LYS A 28 -17.462 -5.915 0.954 1.00 0.00 C ATOM 428 CG LYS A 28 -17.656 -4.757 1.918 1.00 0.00 C ATOM 429 CD LYS A 28 -18.547 -3.680 1.322 1.00 0.00 C ATOM 430 CE LYS A 28 -20.019 -4.015 1.499 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.869 -3.343 0.476 1.00 0.00 N ATOM 0 H LYS A 28 -15.263 -5.603 2.031 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.245 -7.511 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.946 -5.553 0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.439 -6.276 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.097 -5.124 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.687 -4.329 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.331 -2.723 1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.323 -3.567 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.156 -5.094 1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.343 -3.713 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.865 -3.597 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.758 -2.312 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.577 -3.650 -0.474 1.00 0.00 H new ATOM 445 N GLN A 29 -15.347 -8.024 -0.243 1.00 0.00 N ATOM 446 CA GLN A 29 -15.000 -8.986 -1.278 1.00 0.00 C ATOM 447 C GLN A 29 -14.289 -10.185 -0.663 1.00 0.00 C ATOM 448 O GLN A 29 -14.610 -11.331 -0.976 1.00 0.00 O ATOM 449 CB GLN A 29 -14.108 -8.332 -2.337 1.00 0.00 C ATOM 450 CG GLN A 29 -14.884 -7.727 -3.496 1.00 0.00 C ATOM 451 CD GLN A 29 -15.007 -6.220 -3.390 1.00 0.00 C ATOM 452 OE1 GLN A 29 -15.820 -5.704 -2.623 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.198 -5.505 -4.164 1.00 0.00 N ATOM 0 H GLN A 29 -14.680 -7.259 -0.138 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.918 -9.327 -1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.509 -7.553 -1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.413 -9.077 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.389 -7.983 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.880 -8.168 -3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.539 -5.975 -4.785 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.236 -4.486 -4.137 1.00 0.00 H new ATOM 462 N ASN A 30 -13.315 -9.901 0.210 1.00 0.00 N ATOM 463 CA ASN A 30 -12.528 -10.932 0.891 1.00 0.00 C ATOM 464 C ASN A 30 -11.173 -11.080 0.223 1.00 0.00 C ATOM 465 O ASN A 30 -10.577 -12.157 0.224 1.00 0.00 O ATOM 466 CB ASN A 30 -13.252 -12.285 0.915 1.00 0.00 C ATOM 467 CG ASN A 30 -12.699 -13.218 1.974 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.110 -13.172 3.134 1.00 0.00 O ATOM 469 ND2 ASN A 30 -11.762 -14.072 1.579 1.00 0.00 N ATOM 0 H ASN A 30 -13.051 -8.949 0.463 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.393 -10.612 1.924 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.314 -12.122 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.165 -12.758 -0.063 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.353 -14.725 2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.452 -14.075 0.607 1.00 0.00 H new ATOM 476 N LYS A 31 -10.691 -9.981 -0.344 1.00 0.00 N ATOM 477 CA LYS A 31 -9.405 -9.975 -1.017 1.00 0.00 C ATOM 478 C LYS A 31 -8.286 -9.584 -0.058 1.00 0.00 C ATOM 479 O LYS A 31 -7.152 -9.379 -0.483 1.00 0.00 O ATOM 480 CB LYS A 31 -9.435 -9.018 -2.210 1.00 0.00 C ATOM 481 CG LYS A 31 -9.876 -9.679 -3.505 1.00 0.00 C ATOM 482 CD LYS A 31 -8.687 -10.185 -4.307 1.00 0.00 C ATOM 483 CE LYS A 31 -9.072 -10.484 -5.746 1.00 0.00 C ATOM 484 NZ LYS A 31 -8.928 -9.287 -6.620 1.00 0.00 N ATOM 0 H LYS A 31 -11.175 -9.083 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.208 -10.985 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.109 -8.191 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.442 -8.591 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.545 -10.510 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.443 -8.966 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.892 -9.440 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.290 -11.087 -3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.447 -11.290 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.103 -10.836 -5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.588 -9.360 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.142 -8.429 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.953 -9.234 -6.978 1.00 0.00 H new ATOM 498 N LEU A 32 -8.603 -9.489 1.240 1.00 0.00 N ATOM 499 CA LEU A 32 -7.612 -9.132 2.248 1.00 0.00 C ATOM 500 C LEU A 32 -6.299 -9.864 2.002 1.00 0.00 C ATOM 501 O LEU A 32 -5.225 -9.346 2.298 1.00 0.00 O ATOM 502 CB LEU A 32 -8.151 -9.457 3.641 1.00 0.00 C ATOM 503 CG LEU A 32 -9.009 -8.356 4.263 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.119 -7.295 4.893 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.927 -7.741 3.214 1.00 0.00 C ATOM 0 H LEU A 32 -9.539 -9.655 1.611 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.418 -8.062 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.742 -10.371 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.310 -9.662 4.303 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.632 -8.792 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.739 -6.515 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.503 -7.750 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.476 -6.859 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.531 -6.959 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.327 -7.312 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.581 -8.512 2.806 1.00 0.00 H new ATOM 517 N GLU A 33 -6.395 -11.062 1.440 1.00 0.00 N ATOM 518 CA GLU A 33 -5.210 -11.851 1.134 1.00 0.00 C ATOM 519 C GLU A 33 -4.448 -11.219 -0.028 1.00 0.00 C ATOM 520 O GLU A 33 -3.221 -11.126 -0.006 1.00 0.00 O ATOM 521 CB GLU A 33 -5.597 -13.290 0.790 1.00 0.00 C ATOM 522 CG GLU A 33 -5.734 -14.190 2.006 1.00 0.00 C ATOM 523 CD GLU A 33 -6.692 -13.632 3.040 1.00 0.00 C ATOM 524 OE1 GLU A 33 -7.757 -13.113 2.644 1.00 0.00 O ATOM 525 OE2 GLU A 33 -6.378 -13.714 4.246 1.00 0.00 O ATOM 0 H GLU A 33 -7.278 -11.507 1.188 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.567 -11.868 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.541 -13.283 0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.846 -13.709 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.081 -15.173 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.754 -14.330 2.462 1.00 0.00 H new ATOM 532 N GLN A 34 -5.193 -10.773 -1.036 1.00 0.00 N ATOM 533 CA GLN A 34 -4.606 -10.130 -2.207 1.00 0.00 C ATOM 534 C GLN A 34 -4.179 -8.700 -1.885 1.00 0.00 C ATOM 535 O GLN A 34 -3.388 -8.100 -2.613 1.00 0.00 O ATOM 536 CB GLN A 34 -5.604 -10.130 -3.370 1.00 0.00 C ATOM 537 CG GLN A 34 -5.217 -11.069 -4.501 1.00 0.00 C ATOM 538 CD GLN A 34 -5.089 -10.359 -5.836 1.00 0.00 C ATOM 539 OE1 GLN A 34 -6.055 -10.254 -6.591 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.891 -9.868 -6.134 1.00 0.00 N ATOM 0 H GLN A 34 -6.210 -10.846 -1.064 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.722 -10.697 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.588 -10.412 -2.994 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.692 -9.117 -3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.270 -11.551 -4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.965 -11.858 -4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.117 -9.978 -5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.745 -9.381 -7.018 1.00 0.00 H new ATOM 549 N VAL A 35 -4.705 -8.158 -0.790 1.00 0.00 N ATOM 550 CA VAL A 35 -4.374 -6.801 -0.377 1.00 0.00 C ATOM 551 C VAL A 35 -3.343 -6.805 0.749 1.00 0.00 C ATOM 552 O VAL A 35 -2.614 -5.832 0.942 1.00 0.00 O ATOM 553 CB VAL A 35 -5.621 -6.015 0.095 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.562 -4.581 -0.405 1.00 0.00 C ATOM 555 CG2 VAL A 35 -6.919 -6.689 -0.351 1.00 0.00 C ATOM 0 H VAL A 35 -5.361 -8.639 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.960 -6.307 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.616 -6.009 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.446 -4.041 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.667 -4.096 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.531 -4.577 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.771 -6.106 0.000 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.943 -6.748 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.970 -7.694 0.068 1.00 0.00 H new ATOM 565 N GLU A 36 -3.286 -7.908 1.482 1.00 0.00 N ATOM 566 CA GLU A 36 -2.344 -8.052 2.583 1.00 0.00 C ATOM 567 C GLU A 36 -1.008 -8.551 2.060 1.00 0.00 C ATOM 568 O GLU A 36 0.053 -8.081 2.474 1.00 0.00 O ATOM 569 CB GLU A 36 -2.889 -9.017 3.644 1.00 0.00 C ATOM 570 CG GLU A 36 -2.905 -10.472 3.205 1.00 0.00 C ATOM 571 CD GLU A 36 -1.568 -11.159 3.409 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.786 -10.693 4.266 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.302 -12.161 2.714 1.00 0.00 O ATOM 0 H GLU A 36 -3.885 -8.720 1.333 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.205 -7.076 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.285 -8.927 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.903 -8.716 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.673 -11.007 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.180 -10.527 2.152 1.00 0.00 H new ATOM 580 N LYS A 37 -1.070 -9.498 1.131 1.00 0.00 N ATOM 581 CA LYS A 37 0.131 -10.049 0.533 1.00 0.00 C ATOM 582 C LYS A 37 0.779 -9.009 -0.359 1.00 0.00 C ATOM 583 O LYS A 37 2.004 -8.902 -0.414 1.00 0.00 O ATOM 584 CB LYS A 37 -0.192 -11.312 -0.268 1.00 0.00 C ATOM 585 CG LYS A 37 0.925 -12.342 -0.254 1.00 0.00 C ATOM 586 CD LYS A 37 1.027 -13.035 1.094 1.00 0.00 C ATOM 587 CE LYS A 37 2.418 -13.605 1.325 1.00 0.00 C ATOM 588 NZ LYS A 37 3.360 -12.578 1.848 1.00 0.00 N ATOM 0 H LYS A 37 -1.940 -9.897 0.779 1.00 0.00 H new ATOM 0 HA LYS A 37 0.825 -10.322 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.098 -11.765 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.405 -11.033 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.747 -13.084 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.872 -11.856 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.787 -12.327 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.291 -13.837 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.358 -14.434 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.805 -14.009 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.159 -13.048 2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.714 -11.999 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.865 -11.969 2.531 1.00 0.00 H new ATOM 602 N GLU A 38 -0.047 -8.221 -1.042 1.00 0.00 N ATOM 603 CA GLU A 38 0.468 -7.178 -1.899 1.00 0.00 C ATOM 604 C GLU A 38 1.165 -6.120 -1.058 1.00 0.00 C ATOM 605 O GLU A 38 2.289 -5.721 -1.352 1.00 0.00 O ATOM 606 CB GLU A 38 -0.668 -6.560 -2.706 1.00 0.00 C ATOM 607 CG GLU A 38 -0.859 -7.204 -4.070 1.00 0.00 C ATOM 608 CD GLU A 38 -1.047 -8.705 -3.981 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.137 -9.387 -3.466 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.103 -9.199 -4.426 1.00 0.00 O ATOM 0 H GLU A 38 -1.064 -8.290 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 38 1.192 -7.605 -2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.595 -6.645 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.473 -5.496 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.726 -6.761 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.006 -6.986 -4.696 1.00 0.00 H new ATOM 617 N LEU A 39 0.495 -5.676 0.002 1.00 0.00 N ATOM 618 CA LEU A 39 1.053 -4.667 0.897 1.00 0.00 C ATOM 619 C LEU A 39 2.487 -5.015 1.285 1.00 0.00 C ATOM 620 O LEU A 39 3.305 -4.129 1.529 1.00 0.00 O ATOM 621 CB LEU A 39 0.189 -4.535 2.153 1.00 0.00 C ATOM 622 CG LEU A 39 -1.067 -3.679 1.987 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.093 -4.023 3.056 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.714 -2.200 2.041 1.00 0.00 C ATOM 0 H LEU A 39 -0.437 -6.000 0.262 1.00 0.00 H new ATOM 0 HA LEU A 39 1.061 -3.714 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.109 -5.532 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.797 -4.110 2.951 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.504 -3.893 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.980 -3.404 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.368 -5.074 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.667 -3.838 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.620 -1.605 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.254 -1.971 3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.016 -1.963 1.238 1.00 0.00 H new ATOM 636 N LEU A 40 2.788 -6.310 1.333 1.00 0.00 N ATOM 637 CA LEU A 40 4.129 -6.762 1.685 1.00 0.00 C ATOM 638 C LEU A 40 5.157 -6.250 0.678 1.00 0.00 C ATOM 639 O LEU A 40 6.339 -6.120 0.997 1.00 0.00 O ATOM 640 CB LEU A 40 4.176 -8.289 1.752 1.00 0.00 C ATOM 641 CG LEU A 40 5.059 -8.863 2.862 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.391 -8.693 4.217 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.365 -10.328 2.594 1.00 0.00 C ATOM 0 H LEU A 40 2.126 -7.060 1.134 1.00 0.00 H new ATOM 0 HA LEU A 40 4.376 -6.357 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.161 -8.663 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.531 -8.669 0.794 1.00 0.00 H new ATOM 0 HG LEU A 40 6.000 -8.313 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.034 -9.107 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.225 -7.633 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.435 -9.217 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.994 -10.720 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.434 -10.893 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.887 -10.422 1.642 1.00 0.00 H new ATOM 655 N ARG A 41 4.698 -5.960 -0.537 1.00 0.00 N ATOM 656 CA ARG A 41 5.577 -5.462 -1.587 1.00 0.00 C ATOM 657 C ARG A 41 6.048 -4.044 -1.280 1.00 0.00 C ATOM 658 O ARG A 41 7.247 -3.768 -1.272 1.00 0.00 O ATOM 659 CB ARG A 41 4.863 -5.495 -2.940 1.00 0.00 C ATOM 660 CG ARG A 41 4.939 -6.843 -3.636 1.00 0.00 C ATOM 661 CD ARG A 41 4.423 -7.961 -2.745 1.00 0.00 C ATOM 662 NE ARG A 41 5.493 -8.571 -1.957 1.00 0.00 N ATOM 663 CZ ARG A 41 5.366 -9.722 -1.300 1.00 0.00 C ATOM 664 NH1 ARG A 41 4.220 -10.391 -1.333 1.00 0.00 N ATOM 665 NH2 ARG A 41 6.389 -10.206 -0.608 1.00 0.00 N ATOM 0 H ARG A 41 3.722 -6.062 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 41 6.451 -6.112 -1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.816 -5.229 -2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.298 -4.735 -3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.356 -6.812 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.971 -7.049 -3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.659 -7.567 -2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.946 -8.724 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 41 6.389 -8.086 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.430 -10.024 -1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.129 -11.272 -0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.272 -9.696 -0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.292 -11.088 -0.104 1.00 0.00 H new ATOM 679 N VAL A 42 5.098 -3.148 -1.026 1.00 0.00 N ATOM 680 CA VAL A 42 5.425 -1.761 -0.718 1.00 0.00 C ATOM 681 C VAL A 42 6.333 -1.670 0.506 1.00 0.00 C ATOM 682 O VAL A 42 7.081 -0.706 0.663 1.00 0.00 O ATOM 683 CB VAL A 42 4.153 -0.921 -0.471 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.511 0.525 -0.159 1.00 0.00 C ATOM 685 CG2 VAL A 42 3.225 -0.992 -1.675 1.00 0.00 C ATOM 0 H VAL A 42 4.100 -3.357 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 42 5.949 -1.359 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 42 3.633 -1.337 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.599 1.097 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.134 0.561 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.057 0.954 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.334 -0.394 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.740 -0.605 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.936 -2.028 -1.851 1.00 0.00 H new ATOM 695 N GLY A 43 6.266 -2.677 1.370 1.00 0.00 N ATOM 696 CA GLY A 43 7.093 -2.678 2.562 1.00 0.00 C ATOM 697 C GLY A 43 8.533 -3.038 2.264 1.00 0.00 C ATOM 698 O GLY A 43 9.456 -2.393 2.762 1.00 0.00 O ATOM 0 H GLY A 43 5.657 -3.489 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.056 -1.693 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.686 -3.387 3.283 1.00 0.00 H new ATOM 702 N GLN A 44 8.729 -4.067 1.448 1.00 0.00 N ATOM 703 CA GLN A 44 10.069 -4.507 1.084 1.00 0.00 C ATOM 704 C GLN A 44 10.702 -3.552 0.077 1.00 0.00 C ATOM 705 O GLN A 44 11.926 -3.449 -0.011 1.00 0.00 O ATOM 706 CB GLN A 44 10.026 -5.923 0.505 1.00 0.00 C ATOM 707 CG GLN A 44 10.018 -7.013 1.565 1.00 0.00 C ATOM 708 CD GLN A 44 9.191 -8.216 1.156 1.00 0.00 C ATOM 709 OE1 GLN A 44 7.917 -8.215 1.533 1.00 0.00 O flip ATOM 710 NE2 GLN A 44 9.691 -9.137 0.509 1.00 0.00 N flip ATOM 0 H GLN A 44 7.977 -4.612 1.026 1.00 0.00 H new ATOM 0 HA GLN A 44 10.679 -4.510 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.137 -6.026 -0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.888 -6.067 -0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.042 -7.330 1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.625 -6.606 2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.674 -9.097 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.122 -9.940 0.242 1.00 0.00 H new ATOM 719 N ILE A 45 9.863 -2.853 -0.682 1.00 0.00 N ATOM 720 CA ILE A 45 10.344 -1.907 -1.680 1.00 0.00 C ATOM 721 C ILE A 45 10.702 -0.571 -1.041 1.00 0.00 C ATOM 722 O ILE A 45 11.696 0.055 -1.407 1.00 0.00 O ATOM 723 CB ILE A 45 9.296 -1.679 -2.788 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.878 -3.014 -3.406 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.840 -0.745 -3.862 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.449 -3.029 -3.899 1.00 0.00 C ATOM 0 H ILE A 45 8.847 -2.925 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 45 11.239 -2.341 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 45 8.420 -1.211 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.543 -3.244 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.007 -3.804 -2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.084 -0.598 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.093 0.216 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.733 -1.184 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.221 -4.006 -4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.775 -2.830 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.319 -2.262 -4.662 1.00 0.00 H new ATOM 738 N LEU A 46 9.891 -0.139 -0.082 1.00 0.00 N ATOM 739 CA LEU A 46 10.138 1.122 0.602 1.00 0.00 C ATOM 740 C LEU A 46 11.160 0.939 1.719 1.00 0.00 C ATOM 741 O LEU A 46 11.853 1.882 2.100 1.00 0.00 O ATOM 742 CB LEU A 46 8.832 1.696 1.156 1.00 0.00 C ATOM 743 CG LEU A 46 7.810 2.122 0.095 1.00 0.00 C ATOM 744 CD1 LEU A 46 6.736 3.008 0.709 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.499 2.838 -1.059 1.00 0.00 C ATOM 0 H LEU A 46 9.062 -0.641 0.237 1.00 0.00 H new ATOM 0 HA LEU A 46 10.546 1.829 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.371 0.951 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.067 2.559 1.779 1.00 0.00 H new ATOM 0 HG LEU A 46 7.331 1.224 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.021 3.299 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.219 2.460 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.198 3.900 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.756 3.132 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.008 3.726 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.227 2.170 -1.519 1.00 0.00 H new ATOM 757 N LYS A 47 11.263 -0.287 2.227 1.00 0.00 N ATOM 758 CA LYS A 47 12.217 -0.594 3.282 1.00 0.00 C ATOM 759 C LYS A 47 13.579 -0.929 2.680 1.00 0.00 C ATOM 760 O LYS A 47 14.612 -0.768 3.329 1.00 0.00 O ATOM 761 CB LYS A 47 11.719 -1.764 4.132 1.00 0.00 C ATOM 762 CG LYS A 47 12.633 -2.101 5.299 1.00 0.00 C ATOM 763 CD LYS A 47 12.340 -3.487 5.853 1.00 0.00 C ATOM 764 CE LYS A 47 11.282 -3.438 6.943 1.00 0.00 C ATOM 765 NZ LYS A 47 10.032 -2.776 6.474 1.00 0.00 N ATOM 0 H LYS A 47 10.698 -1.080 1.924 1.00 0.00 H new ATOM 0 HA LYS A 47 12.318 0.283 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.727 -1.527 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.614 -2.644 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.673 -2.050 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.507 -1.359 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.004 -4.139 5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.256 -3.922 6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.054 -4.451 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.675 -2.902 7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.252 -3.010 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.170 -1.745 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.800 -3.110 5.517 1.00 0.00 H new ATOM 779 N GLU A 48 13.569 -1.389 1.430 1.00 0.00 N ATOM 780 CA GLU A 48 14.799 -1.742 0.732 1.00 0.00 C ATOM 781 C GLU A 48 15.687 -0.513 0.543 1.00 0.00 C ATOM 782 O GLU A 48 15.349 0.387 -0.226 1.00 0.00 O ATOM 783 CB GLU A 48 14.467 -2.360 -0.628 1.00 0.00 C ATOM 784 CG GLU A 48 14.557 -3.876 -0.646 1.00 0.00 C ATOM 785 CD GLU A 48 15.972 -4.374 -0.870 1.00 0.00 C ATOM 786 OE1 GLU A 48 16.895 -3.857 -0.206 1.00 0.00 O ATOM 787 OE2 GLU A 48 16.157 -5.281 -1.709 1.00 0.00 O ATOM 0 H GLU A 48 12.720 -1.525 0.881 1.00 0.00 H new ATOM 0 HA GLU A 48 15.342 -2.469 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.460 -2.061 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.147 -1.955 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.183 -4.270 0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.910 -4.265 -1.432 1.00 0.00 H new ATOM 794 N PRO A 49 16.836 -0.452 1.241 1.00 0.00 N ATOM 795 CA PRO A 49 17.758 0.683 1.132 1.00 0.00 C ATOM 796 C PRO A 49 18.181 0.944 -0.309 1.00 0.00 C ATOM 797 O PRO A 49 18.548 2.065 -0.665 1.00 0.00 O ATOM 798 CB PRO A 49 18.962 0.255 1.977 1.00 0.00 C ATOM 799 CG PRO A 49 18.423 -0.761 2.923 1.00 0.00 C ATOM 800 CD PRO A 49 17.327 -1.475 2.182 1.00 0.00 C ATOM 0 HA PRO A 49 17.300 1.613 1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.753 -0.164 1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.392 1.103 2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.202 -1.457 3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.039 -0.288 3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.701 -2.356 1.660 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.540 -1.814 2.856 1.00 0.00 H new ATOM 808 N LYS A 50 18.115 -0.093 -1.137 1.00 0.00 N ATOM 809 CA LYS A 50 18.477 0.030 -2.544 1.00 0.00 C ATOM 810 C LYS A 50 17.234 0.284 -3.392 1.00 0.00 C ATOM 811 O LYS A 50 17.180 -0.091 -4.563 1.00 0.00 O ATOM 812 CB LYS A 50 19.189 -1.237 -3.023 1.00 0.00 C ATOM 813 CG LYS A 50 20.699 -1.182 -2.866 1.00 0.00 C ATOM 814 CD LYS A 50 21.111 -1.278 -1.406 1.00 0.00 C ATOM 815 CE LYS A 50 21.526 -2.692 -1.035 1.00 0.00 C ATOM 816 NZ LYS A 50 22.531 -2.706 0.063 1.00 0.00 N ATOM 0 H LYS A 50 17.815 -1.027 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 50 19.155 0.876 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.805 -2.092 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.947 -1.405 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.154 -1.997 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.076 -0.252 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.937 -0.593 -1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.282 -0.963 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.647 -3.260 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.939 -3.191 -1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.788 -3.689 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.380 -2.186 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.128 -2.253 0.908 1.00 0.00 H new ATOM 830 N MET A 51 16.238 0.922 -2.785 1.00 0.00 N ATOM 831 CA MET A 51 14.989 1.228 -3.472 1.00 0.00 C ATOM 832 C MET A 51 14.273 2.402 -2.808 1.00 0.00 C ATOM 833 O MET A 51 13.656 3.225 -3.485 1.00 0.00 O ATOM 834 CB MET A 51 14.077 0.000 -3.484 1.00 0.00 C ATOM 835 CG MET A 51 12.817 0.184 -4.314 1.00 0.00 C ATOM 836 SD MET A 51 13.167 0.697 -6.007 1.00 0.00 S ATOM 837 CE MET A 51 11.897 1.935 -6.254 1.00 0.00 C ATOM 0 H MET A 51 16.273 1.238 -1.816 1.00 0.00 H new ATOM 0 HA MET A 51 15.227 1.507 -4.498 1.00 0.00 H new ATOM 0 HB2 MET A 51 14.635 -0.853 -3.871 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.795 -0.242 -2.459 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.258 -0.752 -4.331 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.179 0.928 -3.838 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.878 2.232 -7.302 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.927 1.522 -5.976 1.00 0.00 H new ATOM 0 HE3 MET A 51 12.112 2.805 -5.634 1.00 0.00 H new ATOM 847 N ALA A 52 14.358 2.477 -1.480 1.00 0.00 N ATOM 848 CA ALA A 52 13.716 3.554 -0.736 1.00 0.00 C ATOM 849 C ALA A 52 14.264 4.914 -1.153 1.00 0.00 C ATOM 850 O ALA A 52 13.556 5.919 -1.112 1.00 0.00 O ATOM 851 CB ALA A 52 13.900 3.344 0.759 1.00 0.00 C ATOM 0 H ALA A 52 14.864 1.806 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 52 12.651 3.536 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.416 4.155 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.453 2.394 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.964 3.332 0.997 1.00 0.00 H new ATOM 857 N ALA A 53 15.531 4.938 -1.553 1.00 0.00 N ATOM 858 CA ALA A 53 16.175 6.175 -1.977 1.00 0.00 C ATOM 859 C ALA A 53 15.528 6.728 -3.242 1.00 0.00 C ATOM 860 O ALA A 53 15.502 7.939 -3.460 1.00 0.00 O ATOM 861 CB ALA A 53 17.662 5.946 -2.201 1.00 0.00 C ATOM 0 H ALA A 53 16.132 4.115 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 53 16.046 6.911 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.130 6.878 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.122 5.606 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.801 5.190 -2.973 1.00 0.00 H new ATOM 867 N SER A 54 15.004 5.833 -4.074 1.00 0.00 N ATOM 868 CA SER A 54 14.358 6.232 -5.318 1.00 0.00 C ATOM 869 C SER A 54 13.041 6.951 -5.042 1.00 0.00 C ATOM 870 O SER A 54 12.803 8.048 -5.548 1.00 0.00 O ATOM 871 CB SER A 54 14.108 5.009 -6.203 1.00 0.00 C ATOM 872 OG SER A 54 15.316 4.533 -6.768 1.00 0.00 O ATOM 0 H SER A 54 15.015 4.827 -3.908 1.00 0.00 H new ATOM 0 HA SER A 54 15.024 6.919 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.642 4.219 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.409 5.268 -6.998 1.00 0.00 H new ATOM 0 HG SER A 54 15.129 3.750 -7.328 1.00 0.00 H new ATOM 878 N LEU A 55 12.188 6.326 -4.237 1.00 0.00 N ATOM 879 CA LEU A 55 10.894 6.906 -3.895 1.00 0.00 C ATOM 880 C LEU A 55 11.055 8.134 -3.000 1.00 0.00 C ATOM 881 O LEU A 55 10.116 8.911 -2.826 1.00 0.00 O ATOM 882 CB LEU A 55 10.015 5.866 -3.198 1.00 0.00 C ATOM 883 CG LEU A 55 9.730 4.605 -4.019 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.575 3.442 -3.523 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.250 4.254 -3.963 1.00 0.00 C ATOM 0 H LEU A 55 12.369 5.418 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 55 10.414 7.221 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.496 5.573 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.066 6.332 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 55 9.996 4.804 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.359 2.555 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.631 3.694 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.342 3.243 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.067 3.355 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.957 4.076 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.665 5.079 -4.368 1.00 0.00 H new ATOM 897 N LEU A 56 12.246 8.305 -2.433 1.00 0.00 N ATOM 898 CA LEU A 56 12.518 9.440 -1.558 1.00 0.00 C ATOM 899 C LEU A 56 13.267 10.538 -2.306 1.00 0.00 C ATOM 900 O LEU A 56 13.063 11.725 -2.057 1.00 0.00 O ATOM 901 CB LEU A 56 13.330 8.987 -0.341 1.00 0.00 C ATOM 902 CG LEU A 56 13.827 10.114 0.567 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.014 9.609 1.989 1.00 0.00 C ATOM 904 CD2 LEU A 56 15.125 10.696 0.029 1.00 0.00 C ATOM 0 H LEU A 56 13.036 7.673 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 56 11.564 9.845 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.718 8.308 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.191 8.417 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 56 13.076 10.904 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.368 10.424 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.063 9.240 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.746 8.801 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.465 11.496 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.884 9.915 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.958 11.095 -0.972 1.00 0.00 H new ATOM 916 N ASN A 57 14.141 10.132 -3.223 1.00 0.00 N ATOM 917 CA ASN A 57 14.926 11.078 -4.005 1.00 0.00 C ATOM 918 C ASN A 57 14.022 12.031 -4.785 1.00 0.00 C ATOM 919 O ASN A 57 12.805 11.857 -4.819 1.00 0.00 O ATOM 920 CB ASN A 57 15.852 10.330 -4.966 1.00 0.00 C ATOM 921 CG ASN A 57 17.236 10.116 -4.385 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.295 9.776 -3.102 1.00 0.00 O flip ATOM 923 ND2 ASN A 57 18.242 10.255 -5.082 1.00 0.00 N flip ATOM 0 H ASN A 57 14.322 9.152 -3.442 1.00 0.00 H new ATOM 0 HA ASN A 57 15.529 11.668 -3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.411 9.364 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.934 10.891 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.150 10.517 -6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.167 10.108 -4.678 1.00 0.00 H new ATOM 930 N PRO A 58 14.612 13.060 -5.420 1.00 0.00 N ATOM 931 CA PRO A 58 13.860 14.051 -6.201 1.00 0.00 C ATOM 932 C PRO A 58 13.205 13.455 -7.447 1.00 0.00 C ATOM 933 O PRO A 58 12.440 14.129 -8.137 1.00 0.00 O ATOM 934 CB PRO A 58 14.923 15.085 -6.605 1.00 0.00 C ATOM 935 CG PRO A 58 16.098 14.812 -5.727 1.00 0.00 C ATOM 936 CD PRO A 58 16.053 13.344 -5.425 1.00 0.00 C ATOM 0 HA PRO A 58 13.037 14.467 -5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.188 14.985 -7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.555 16.101 -6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.029 15.080 -6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.047 15.401 -4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.578 12.759 -6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.515 13.114 -4.465 1.00 0.00 H new ATOM 944 N TYR A 59 13.510 12.193 -7.737 1.00 0.00 N ATOM 945 CA TYR A 59 12.951 11.520 -8.904 1.00 0.00 C ATOM 946 C TYR A 59 11.576 10.924 -8.600 1.00 0.00 C ATOM 947 O TYR A 59 10.877 10.471 -9.505 1.00 0.00 O ATOM 948 CB TYR A 59 13.902 10.423 -9.385 1.00 0.00 C ATOM 949 CG TYR A 59 15.272 10.940 -9.763 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.157 11.394 -8.794 1.00 0.00 C ATOM 951 CD2 TYR A 59 15.680 10.976 -11.091 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.407 11.869 -9.135 1.00 0.00 C ATOM 953 CE2 TYR A 59 16.931 11.450 -11.440 1.00 0.00 C ATOM 954 CZ TYR A 59 17.790 11.895 -10.459 1.00 0.00 C ATOM 955 OH TYR A 59 19.036 12.368 -10.802 1.00 0.00 O ATOM 0 H TYR A 59 14.141 11.617 -7.180 1.00 0.00 H new ATOM 0 HA TYR A 59 12.829 12.263 -9.692 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.008 9.674 -8.600 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.461 9.921 -10.246 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.862 11.375 -7.755 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.009 10.628 -11.863 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.082 12.219 -8.368 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.233 11.471 -12.477 1.00 0.00 H new ATOM 0 HH TYR A 59 19.149 12.317 -11.774 1.00 0.00 H new ATOM 965 N VAL A 60 11.191 10.928 -7.326 1.00 0.00 N ATOM 966 CA VAL A 60 9.900 10.388 -6.921 1.00 0.00 C ATOM 967 C VAL A 60 8.794 11.427 -7.092 1.00 0.00 C ATOM 968 O VAL A 60 8.098 11.775 -6.138 1.00 0.00 O ATOM 969 CB VAL A 60 9.924 9.907 -5.456 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.227 11.064 -4.515 1.00 0.00 C ATOM 971 CG2 VAL A 60 8.604 9.242 -5.088 1.00 0.00 C ATOM 0 H VAL A 60 11.754 11.298 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 60 9.695 9.535 -7.568 1.00 0.00 H new ATOM 0 HB VAL A 60 10.718 9.168 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.239 10.703 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.200 11.489 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.459 11.830 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.641 8.910 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.790 9.956 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.435 8.384 -5.738 1.00 0.00 H new ATOM 981 N LYS A 61 8.639 11.919 -8.317 1.00 0.00 N ATOM 982 CA LYS A 61 7.620 12.919 -8.619 1.00 0.00 C ATOM 983 C LYS A 61 6.233 12.426 -8.214 1.00 0.00 C ATOM 984 O LYS A 61 6.097 11.390 -7.563 1.00 0.00 O ATOM 985 CB LYS A 61 7.641 13.264 -10.110 1.00 0.00 C ATOM 986 CG LYS A 61 8.165 14.660 -10.403 1.00 0.00 C ATOM 987 CD LYS A 61 7.031 15.652 -10.604 1.00 0.00 C ATOM 988 CE LYS A 61 6.236 15.340 -11.862 1.00 0.00 C ATOM 989 NZ LYS A 61 5.813 16.579 -12.574 1.00 0.00 N ATOM 0 H LYS A 61 9.207 11.641 -9.118 1.00 0.00 H new ATOM 0 HA LYS A 61 7.845 13.817 -8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.259 12.535 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.631 13.172 -10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.798 14.992 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.790 14.635 -11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.369 15.630 -9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.436 16.662 -10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.840 14.726 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.355 14.754 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.274 16.323 -13.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.216 17.154 -11.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.654 17.126 -12.848 1.00 0.00 H new ATOM 1003 N ARG A 62 5.207 13.175 -8.602 1.00 0.00 N ATOM 1004 CA ARG A 62 3.832 12.815 -8.276 1.00 0.00 C ATOM 1005 C ARG A 62 3.242 11.884 -9.332 1.00 0.00 C ATOM 1006 O ARG A 62 2.953 10.720 -9.054 1.00 0.00 O ATOM 1007 CB ARG A 62 2.970 14.073 -8.151 1.00 0.00 C ATOM 1008 CG ARG A 62 1.774 13.902 -7.228 1.00 0.00 C ATOM 1009 CD ARG A 62 0.525 13.512 -8.001 1.00 0.00 C ATOM 1010 NE ARG A 62 -0.277 14.677 -8.370 1.00 0.00 N ATOM 1011 CZ ARG A 62 -1.334 14.624 -9.178 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -1.719 13.468 -9.703 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -2.007 15.731 -9.461 1.00 0.00 N ATOM 0 H ARG A 62 5.301 14.035 -9.142 1.00 0.00 H new ATOM 0 HA ARG A 62 3.840 12.289 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.588 14.892 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.616 14.361 -9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.995 13.138 -6.482 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.594 14.832 -6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.811 12.969 -8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.078 12.833 -7.397 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.011 15.584 -7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.205 12.614 -9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.529 13.433 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.715 16.622 -9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.817 15.691 -10.080 1.00 0.00 H new ATOM 1027 N SER A 63 3.061 12.405 -10.540 1.00 0.00 N ATOM 1028 CA SER A 63 2.501 11.619 -11.635 1.00 0.00 C ATOM 1029 C SER A 63 3.549 10.699 -12.260 1.00 0.00 C ATOM 1030 O SER A 63 3.233 9.899 -13.140 1.00 0.00 O ATOM 1031 CB SER A 63 1.917 12.544 -12.705 1.00 0.00 C ATOM 1032 OG SER A 63 2.709 13.709 -12.861 1.00 0.00 O ATOM 0 H SER A 63 3.293 13.367 -10.787 1.00 0.00 H new ATOM 0 HA SER A 63 1.708 10.995 -11.222 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.855 12.013 -13.655 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.900 12.826 -12.431 1.00 0.00 H new ATOM 0 HG SER A 63 2.315 14.282 -13.551 1.00 0.00 H new ATOM 1038 N VAL A 64 4.793 10.810 -11.802 1.00 0.00 N ATOM 1039 CA VAL A 64 5.869 9.977 -12.323 1.00 0.00 C ATOM 1040 C VAL A 64 6.012 8.702 -11.503 1.00 0.00 C ATOM 1041 O VAL A 64 6.249 7.624 -12.050 1.00 0.00 O ATOM 1042 CB VAL A 64 7.215 10.728 -12.325 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.267 9.935 -13.086 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.051 12.118 -12.920 1.00 0.00 C ATOM 0 H VAL A 64 5.079 11.466 -11.075 1.00 0.00 H new ATOM 0 HA VAL A 64 5.607 9.723 -13.350 1.00 0.00 H new ATOM 0 HB VAL A 64 7.551 10.837 -11.294 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.211 10.480 -13.077 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.405 8.964 -12.611 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.940 9.792 -14.116 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.012 12.633 -12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.692 12.035 -13.946 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.332 12.684 -12.329 1.00 0.00 H new ATOM 1054 N LYS A 65 5.861 8.831 -10.191 1.00 0.00 N ATOM 1055 CA LYS A 65 5.966 7.687 -9.296 1.00 0.00 C ATOM 1056 C LYS A 65 4.751 6.777 -9.440 1.00 0.00 C ATOM 1057 O LYS A 65 4.831 5.574 -9.193 1.00 0.00 O ATOM 1058 CB LYS A 65 6.101 8.155 -7.845 1.00 0.00 C ATOM 1059 CG LYS A 65 6.721 7.114 -6.926 1.00 0.00 C ATOM 1060 CD LYS A 65 8.161 6.814 -7.312 1.00 0.00 C ATOM 1061 CE LYS A 65 8.423 5.318 -7.377 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.430 4.815 -8.778 1.00 0.00 N ATOM 0 H LYS A 65 5.665 9.716 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 65 6.857 7.122 -9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.709 9.059 -7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.115 8.422 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.686 7.470 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.134 6.196 -6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.380 7.265 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.835 7.271 -6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.381 5.097 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.659 4.791 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.016 3.958 -8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.458 4.590 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.821 5.545 -9.407 1.00 0.00 H new ATOM 1076 N VAL A 66 3.624 7.359 -9.844 1.00 0.00 N ATOM 1077 CA VAL A 66 2.395 6.598 -10.022 1.00 0.00 C ATOM 1078 C VAL A 66 2.472 5.721 -11.268 1.00 0.00 C ATOM 1079 O VAL A 66 1.977 4.593 -11.276 1.00 0.00 O ATOM 1080 CB VAL A 66 1.167 7.525 -10.129 1.00 0.00 C ATOM 1081 CG1 VAL A 66 1.265 8.410 -11.362 1.00 0.00 C ATOM 1082 CG2 VAL A 66 -0.117 6.711 -10.147 1.00 0.00 C ATOM 0 H VAL A 66 3.539 8.354 -10.053 1.00 0.00 H new ATOM 0 HA VAL A 66 2.282 5.966 -9.142 1.00 0.00 H new ATOM 0 HB VAL A 66 1.148 8.171 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.388 9.055 -11.417 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.164 9.023 -11.299 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.313 7.786 -12.255 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.972 7.382 -10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.108 6.036 -11.003 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.192 6.130 -9.228 1.00 0.00 H new ATOM 1092 N LYS A 67 3.098 6.243 -12.318 1.00 0.00 N ATOM 1093 CA LYS A 67 3.240 5.502 -13.565 1.00 0.00 C ATOM 1094 C LYS A 67 4.256 4.377 -13.409 1.00 0.00 C ATOM 1095 O LYS A 67 4.051 3.268 -13.903 1.00 0.00 O ATOM 1096 CB LYS A 67 3.665 6.439 -14.697 1.00 0.00 C ATOM 1097 CG LYS A 67 3.055 6.084 -16.042 1.00 0.00 C ATOM 1098 CD LYS A 67 3.967 5.168 -16.843 1.00 0.00 C ATOM 1099 CE LYS A 67 3.377 4.850 -18.208 1.00 0.00 C ATOM 1100 NZ LYS A 67 4.435 4.579 -19.221 1.00 0.00 N ATOM 0 H LYS A 67 3.514 7.174 -12.330 1.00 0.00 H new ATOM 0 HA LYS A 67 2.273 5.065 -13.814 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.383 7.460 -14.438 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.751 6.421 -14.784 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.092 5.597 -15.889 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.865 6.996 -16.608 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.941 5.641 -16.968 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.130 4.242 -16.291 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.721 3.983 -18.127 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.761 5.685 -18.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.992 4.367 -20.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.046 5.415 -19.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.007 3.766 -18.916 1.00 0.00 H new ATOM 1114 N SER A 68 5.350 4.669 -12.714 1.00 0.00 N ATOM 1115 CA SER A 68 6.396 3.681 -12.487 1.00 0.00 C ATOM 1116 C SER A 68 5.910 2.590 -11.537 1.00 0.00 C ATOM 1117 O SER A 68 6.366 1.449 -11.602 1.00 0.00 O ATOM 1118 CB SER A 68 7.646 4.352 -11.917 1.00 0.00 C ATOM 1119 OG SER A 68 8.525 3.397 -11.347 1.00 0.00 O ATOM 0 H SER A 68 5.535 5.582 -12.298 1.00 0.00 H new ATOM 0 HA SER A 68 6.646 3.223 -13.444 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.161 4.898 -12.707 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.357 5.082 -11.161 1.00 0.00 H new ATOM 0 HG SER A 68 9.317 3.852 -10.991 1.00 0.00 H new ATOM 1125 N LEU A 69 4.981 2.951 -10.656 1.00 0.00 N ATOM 1126 CA LEU A 69 4.433 2.004 -9.695 1.00 0.00 C ATOM 1127 C LEU A 69 3.525 0.991 -10.385 1.00 0.00 C ATOM 1128 O LEU A 69 3.541 -0.195 -10.060 1.00 0.00 O ATOM 1129 CB LEU A 69 3.655 2.747 -8.603 1.00 0.00 C ATOM 1130 CG LEU A 69 4.314 2.740 -7.223 1.00 0.00 C ATOM 1131 CD1 LEU A 69 5.734 3.277 -7.306 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.490 3.555 -6.237 1.00 0.00 C ATOM 0 H LEU A 69 4.593 3.892 -10.589 1.00 0.00 H new ATOM 0 HA LEU A 69 5.263 1.466 -9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.515 3.781 -8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.663 2.303 -8.518 1.00 0.00 H new ATOM 0 HG LEU A 69 4.358 1.711 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.186 3.264 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.320 2.653 -7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.715 4.300 -7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.973 3.540 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.415 4.584 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.491 3.126 -6.155 1.00 0.00 H new ATOM 1144 N SER A 70 2.732 1.469 -11.338 1.00 0.00 N ATOM 1145 CA SER A 70 1.813 0.607 -12.072 1.00 0.00 C ATOM 1146 C SER A 70 2.565 -0.336 -13.004 1.00 0.00 C ATOM 1147 O SER A 70 2.071 -1.413 -13.340 1.00 0.00 O ATOM 1148 CB SER A 70 0.814 1.447 -12.870 1.00 0.00 C ATOM 1149 OG SER A 70 -0.333 1.749 -12.093 1.00 0.00 O ATOM 0 H SER A 70 2.707 2.449 -11.620 1.00 0.00 H new ATOM 0 HA SER A 70 1.269 0.004 -11.344 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.290 2.372 -13.196 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.516 0.907 -13.769 1.00 0.00 H new ATOM 0 HG SER A 70 -0.956 2.288 -12.624 1.00 0.00 H new ATOM 1155 N ASP A 71 3.762 0.063 -13.412 1.00 0.00 N ATOM 1156 CA ASP A 71 4.573 -0.766 -14.291 1.00 0.00 C ATOM 1157 C ASP A 71 5.500 -1.642 -13.467 1.00 0.00 C ATOM 1158 O ASP A 71 5.782 -2.784 -13.831 1.00 0.00 O ATOM 1159 CB ASP A 71 5.379 0.098 -15.262 1.00 0.00 C ATOM 1160 CG ASP A 71 5.677 -0.617 -16.565 1.00 0.00 C ATOM 1161 OD1 ASP A 71 4.743 -1.214 -17.141 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.843 -0.581 -17.009 1.00 0.00 O ATOM 0 H ASP A 71 4.191 0.951 -13.150 1.00 0.00 H new ATOM 0 HA ASP A 71 3.910 -1.403 -14.876 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.827 1.014 -15.472 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.316 0.392 -14.790 1.00 0.00 H new ATOM 1167 N MET A 72 5.953 -1.107 -12.340 1.00 0.00 N ATOM 1168 CA MET A 72 6.826 -1.851 -11.451 1.00 0.00 C ATOM 1169 C MET A 72 6.004 -2.802 -10.600 1.00 0.00 C ATOM 1170 O MET A 72 6.494 -3.854 -10.187 1.00 0.00 O ATOM 1171 CB MET A 72 7.647 -0.902 -10.569 1.00 0.00 C ATOM 1172 CG MET A 72 6.892 -0.370 -9.359 1.00 0.00 C ATOM 1173 SD MET A 72 7.387 -1.174 -7.821 1.00 0.00 S ATOM 1174 CE MET A 72 6.311 -0.352 -6.649 1.00 0.00 C ATOM 0 H MET A 72 5.729 -0.163 -12.024 1.00 0.00 H new ATOM 0 HA MET A 72 7.525 -2.432 -12.053 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.540 -1.424 -10.226 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.982 -0.060 -11.174 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.061 0.703 -9.274 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.822 -0.513 -9.511 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.368 -0.859 -5.686 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.625 0.685 -6.532 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.285 -0.382 -7.015 1.00 0.00 H new ATOM 1184 N THR A 73 4.742 -2.450 -10.356 1.00 0.00 N ATOM 1185 CA THR A 73 3.883 -3.314 -9.574 1.00 0.00 C ATOM 1186 C THR A 73 3.653 -4.613 -10.320 1.00 0.00 C ATOM 1187 O THR A 73 3.466 -5.663 -9.707 1.00 0.00 O ATOM 1188 CB THR A 73 2.545 -2.664 -9.256 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.783 -3.537 -8.455 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.713 -2.344 -10.468 1.00 0.00 C ATOM 0 H THR A 73 4.306 -1.589 -10.684 1.00 0.00 H new ATOM 0 HA THR A 73 4.387 -3.506 -8.627 1.00 0.00 H new ATOM 0 HB THR A 73 2.786 -1.726 -8.755 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.251 -3.697 -7.609 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.776 -1.883 -10.155 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.259 -1.655 -11.112 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.501 -3.262 -11.016 1.00 0.00 H new ATOM 1198 N ALA A 74 3.696 -4.547 -11.652 1.00 0.00 N ATOM 1199 CA ALA A 74 3.522 -5.740 -12.463 1.00 0.00 C ATOM 1200 C ALA A 74 4.427 -6.846 -11.937 1.00 0.00 C ATOM 1201 O ALA A 74 4.112 -8.032 -12.045 1.00 0.00 O ATOM 1202 CB ALA A 74 3.823 -5.446 -13.924 1.00 0.00 C ATOM 0 H ALA A 74 3.848 -3.688 -12.181 1.00 0.00 H new ATOM 0 HA ALA A 74 2.485 -6.068 -12.398 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.687 -6.353 -14.513 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.146 -4.672 -14.286 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.853 -5.102 -14.021 1.00 0.00 H new ATOM 1208 N LYS A 75 5.552 -6.440 -11.346 1.00 0.00 N ATOM 1209 CA LYS A 75 6.499 -7.385 -10.779 1.00 0.00 C ATOM 1210 C LYS A 75 6.281 -7.538 -9.274 1.00 0.00 C ATOM 1211 O LYS A 75 6.635 -8.563 -8.693 1.00 0.00 O ATOM 1212 CB LYS A 75 7.935 -6.939 -11.062 1.00 0.00 C ATOM 1213 CG LYS A 75 8.534 -7.571 -12.308 1.00 0.00 C ATOM 1214 CD LYS A 75 10.025 -7.815 -12.145 1.00 0.00 C ATOM 1215 CE LYS A 75 10.305 -8.857 -11.073 1.00 0.00 C ATOM 1216 NZ LYS A 75 11.666 -9.446 -11.213 1.00 0.00 N ATOM 0 H LYS A 75 5.824 -5.462 -11.251 1.00 0.00 H new ATOM 0 HA LYS A 75 6.333 -8.354 -11.250 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.955 -5.854 -11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.559 -7.186 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.030 -8.515 -12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.362 -6.921 -13.166 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.447 -8.146 -13.094 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.521 -6.880 -11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.207 -8.400 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.559 -9.649 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.818 -10.151 -10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.752 -9.904 -12.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.380 -8.694 -11.130 1.00 0.00 H new ATOM 1230 N GLU A 76 5.693 -6.520 -8.646 1.00 0.00 N ATOM 1231 CA GLU A 76 5.432 -6.565 -7.215 1.00 0.00 C ATOM 1232 C GLU A 76 4.303 -7.539 -6.905 1.00 0.00 C ATOM 1233 O GLU A 76 4.517 -8.551 -6.240 1.00 0.00 O ATOM 1234 CB GLU A 76 5.080 -5.171 -6.690 1.00 0.00 C ATOM 1235 CG GLU A 76 6.167 -4.134 -6.930 1.00 0.00 C ATOM 1236 CD GLU A 76 7.532 -4.594 -6.452 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.586 -5.481 -5.575 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.545 -4.067 -6.956 1.00 0.00 O ATOM 0 H GLU A 76 5.391 -5.661 -9.106 1.00 0.00 H new ATOM 0 HA GLU A 76 6.337 -6.910 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.159 -4.835 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.881 -5.235 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.217 -3.906 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.900 -3.209 -6.419 1.00 0.00 H new ATOM 1245 N LYS A 77 3.105 -7.226 -7.406 1.00 0.00 N ATOM 1246 CA LYS A 77 1.922 -8.071 -7.199 1.00 0.00 C ATOM 1247 C LYS A 77 0.630 -7.264 -7.341 1.00 0.00 C ATOM 1248 O LYS A 77 -0.368 -7.771 -7.852 1.00 0.00 O ATOM 1249 CB LYS A 77 1.950 -8.740 -5.818 1.00 0.00 C ATOM 1250 CG LYS A 77 2.384 -10.197 -5.858 1.00 0.00 C ATOM 1251 CD LYS A 77 2.904 -10.661 -4.507 1.00 0.00 C ATOM 1252 CE LYS A 77 2.744 -12.163 -4.336 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.409 -12.530 -2.933 1.00 0.00 N ATOM 0 H LYS A 77 2.927 -6.389 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 77 1.946 -8.842 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.627 -8.185 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.957 -8.677 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.542 -10.820 -6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.161 -10.326 -6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.956 -10.392 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.367 -10.144 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.960 -12.523 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.667 -12.662 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.952 -13.464 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.280 -12.561 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.761 -11.821 -2.534 1.00 0.00 H new ATOM 1267 N PHE A 78 0.647 -6.016 -6.869 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.533 -5.150 -6.928 1.00 0.00 C ATOM 1269 C PHE A 78 -1.254 -5.261 -8.244 1.00 0.00 C ATOM 1270 O PHE A 78 -0.702 -5.737 -9.236 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.164 -3.688 -6.710 1.00 0.00 C ATOM 1272 CG PHE A 78 0.841 -3.505 -5.636 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.599 -4.020 -4.388 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.024 -2.833 -5.872 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.520 -3.876 -3.381 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.954 -2.681 -4.869 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.703 -3.207 -3.618 1.00 0.00 C ATOM 0 H PHE A 78 1.465 -5.582 -6.441 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.191 -5.491 -6.128 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.225 -3.273 -7.640 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.063 -3.124 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.326 -4.544 -4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.221 -2.423 -6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.319 -4.287 -2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.876 -2.152 -5.060 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.430 -3.095 -2.827 1.00 0.00 H new ATOM 1287 N SER A 79 -2.484 -4.780 -8.239 1.00 0.00 N ATOM 1288 CA SER A 79 -3.312 -4.777 -9.434 1.00 0.00 C ATOM 1289 C SER A 79 -4.799 -4.722 -9.102 1.00 0.00 C ATOM 1290 O SER A 79 -5.550 -3.989 -9.740 1.00 0.00 O ATOM 1291 CB SER A 79 -3.028 -5.998 -10.320 1.00 0.00 C ATOM 1292 OG SER A 79 -4.119 -6.276 -11.181 1.00 0.00 O ATOM 0 H SER A 79 -2.935 -4.383 -7.415 1.00 0.00 H new ATOM 0 HA SER A 79 -3.050 -3.873 -9.983 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.131 -5.819 -10.913 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.827 -6.866 -9.692 1.00 0.00 H new ATOM 0 HG SER A 79 -3.909 -7.057 -11.734 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.268 -5.538 -8.147 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.671 -5.597 -7.806 1.00 0.00 C ATOM 1300 C PRO A 80 -7.071 -4.804 -6.571 1.00 0.00 C ATOM 1301 O PRO A 80 -7.720 -3.765 -6.688 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.876 -7.093 -7.580 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.530 -7.626 -7.162 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.513 -6.522 -7.374 1.00 0.00 C ATOM 0 HA PRO A 80 -7.288 -5.148 -8.584 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.626 -7.274 -6.810 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.227 -7.583 -8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.548 -7.934 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.268 -8.506 -7.749 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.159 -6.110 -6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.636 -6.877 -7.916 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.701 -5.282 -5.387 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.062 -4.576 -4.173 1.00 0.00 C ATOM 1314 C LEU A 81 -5.931 -3.667 -3.752 1.00 0.00 C ATOM 1315 O LEU A 81 -5.967 -3.047 -2.690 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.410 -5.557 -3.059 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.895 -5.913 -2.964 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.738 -4.652 -2.827 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.328 -6.712 -4.184 1.00 0.00 C ATOM 0 H LEU A 81 -6.163 -6.137 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.945 -3.969 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.839 -6.473 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.090 -5.134 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.047 -6.527 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.791 -4.924 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.445 -4.114 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.582 -4.014 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.387 -6.957 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.162 -6.120 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.746 -7.632 -4.242 1.00 0.00 H new ATOM 1331 N THR A 82 -4.926 -3.594 -4.608 1.00 0.00 N ATOM 1332 CA THR A 82 -3.773 -2.772 -4.357 1.00 0.00 C ATOM 1333 C THR A 82 -3.528 -1.806 -5.504 1.00 0.00 C ATOM 1334 O THR A 82 -2.625 -0.976 -5.436 1.00 0.00 O ATOM 1335 CB THR A 82 -2.556 -3.650 -4.129 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.930 -5.013 -4.030 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.817 -3.283 -2.861 1.00 0.00 C ATOM 0 H THR A 82 -4.894 -4.104 -5.491 1.00 0.00 H new ATOM 0 HA THR A 82 -3.959 -2.180 -3.461 1.00 0.00 H new ATOM 0 HB THR A 82 -1.903 -3.490 -4.987 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.118 -5.234 -3.094 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.954 -3.938 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.481 -2.248 -2.922 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.483 -3.398 -2.006 1.00 0.00 H new ATOM 1345 N SER A 83 -4.343 -1.889 -6.556 1.00 0.00 N ATOM 1346 CA SER A 83 -4.178 -0.984 -7.679 1.00 0.00 C ATOM 1347 C SER A 83 -4.955 0.307 -7.440 1.00 0.00 C ATOM 1348 O SER A 83 -5.382 0.984 -8.376 1.00 0.00 O ATOM 1349 CB SER A 83 -4.630 -1.628 -8.985 1.00 0.00 C ATOM 1350 OG SER A 83 -4.644 -0.687 -10.042 1.00 0.00 O ATOM 0 H SER A 83 -5.106 -2.560 -6.649 1.00 0.00 H new ATOM 0 HA SER A 83 -3.116 -0.753 -7.764 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.963 -2.452 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.626 -2.052 -8.859 1.00 0.00 H new ATOM 0 HG SER A 83 -5.116 0.122 -9.753 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.110 0.635 -6.171 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.802 1.834 -5.734 1.00 0.00 C ATOM 1358 C ASN A 84 -5.056 2.352 -4.526 1.00 0.00 C ATOM 1359 O ASN A 84 -4.711 3.529 -4.436 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.259 1.529 -5.381 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.046 2.779 -5.040 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.474 3.850 -4.833 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -9.367 2.650 -4.979 1.00 0.00 N ATOM 0 H ASN A 84 -4.753 0.067 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.822 2.579 -6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.735 1.021 -6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.289 0.842 -4.535 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.948 3.457 -4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.800 1.744 -5.158 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.749 1.419 -3.631 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.969 1.718 -2.454 1.00 0.00 C ATOM 1372 C LEU A 85 -2.579 2.144 -2.910 1.00 0.00 C ATOM 1373 O LEU A 85 -1.894 2.906 -2.230 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.889 0.476 -1.556 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.871 0.532 -0.413 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -1.460 0.288 -0.923 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.954 1.860 0.327 1.00 0.00 C ATOM 0 H LEU A 85 -5.036 0.443 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.430 2.520 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.876 0.299 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.654 -0.385 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.118 -0.264 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.759 0.334 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.407 -0.696 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.201 1.051 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.221 1.874 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.747 2.676 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.954 1.983 0.743 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.181 1.649 -4.089 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.885 1.985 -4.653 1.00 0.00 C ATOM 1391 C ILE A 86 -0.802 3.481 -4.941 1.00 0.00 C ATOM 1392 O ILE A 86 0.068 4.179 -4.420 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.598 1.171 -5.946 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.387 0.041 -5.646 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.055 2.053 -7.067 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.084 -0.897 -4.560 1.00 0.00 C ATOM 0 H ILE A 86 -2.741 1.018 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.125 1.722 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.544 0.751 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.561 -0.530 -6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.344 0.472 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.132 1.444 -7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.784 2.827 -7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.876 2.519 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.664 -1.673 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.231 -0.339 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.026 -1.357 -4.860 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.716 3.965 -5.774 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.754 5.376 -6.133 1.00 0.00 C ATOM 1410 C ASN A 87 -2.074 6.229 -4.912 1.00 0.00 C ATOM 1411 O ASN A 87 -1.640 7.376 -4.812 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.793 5.620 -7.228 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.446 6.812 -8.100 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.541 7.584 -7.783 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.165 6.966 -9.206 1.00 0.00 N ATOM 0 H ASN A 87 -2.442 3.399 -6.214 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.772 5.660 -6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.876 4.730 -7.851 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.769 5.780 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.976 7.749 -9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.906 6.301 -9.429 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.833 5.656 -3.983 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.211 6.359 -2.765 1.00 0.00 C ATOM 1424 C LEU A 88 -2.014 6.511 -1.836 1.00 0.00 C ATOM 1425 O LEU A 88 -1.898 7.503 -1.116 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.340 5.614 -2.049 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.734 5.829 -2.639 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.702 4.779 -2.117 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -6.239 7.228 -2.317 1.00 0.00 C ATOM 0 H LEU A 88 -3.198 4.706 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.563 7.353 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.117 4.547 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.353 5.923 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.669 5.728 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.689 4.948 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.349 3.787 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.763 4.849 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.232 7.364 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.289 7.357 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.558 7.967 -2.740 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.121 5.525 -1.856 1.00 0.00 N ATOM 1442 CA LEU A 89 0.066 5.564 -1.012 1.00 0.00 C ATOM 1443 C LEU A 89 1.043 6.620 -1.511 1.00 0.00 C ATOM 1444 O LEU A 89 1.723 7.277 -0.723 1.00 0.00 O ATOM 1445 CB LEU A 89 0.742 4.192 -0.979 1.00 0.00 C ATOM 1446 CG LEU A 89 0.908 3.596 0.418 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.900 2.075 0.356 1.00 0.00 C ATOM 1448 CD2 LEU A 89 2.191 4.102 1.061 1.00 0.00 C ATOM 0 H LEU A 89 -1.197 4.695 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.241 5.827 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.160 3.500 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.725 4.275 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 89 0.066 3.915 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.019 1.669 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.046 1.733 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.721 1.732 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.295 3.669 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.044 3.812 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.154 5.188 1.141 1.00 0.00 H new ATOM 1460 N ALA A 90 1.102 6.780 -2.828 1.00 0.00 N ATOM 1461 CA ALA A 90 1.989 7.759 -3.441 1.00 0.00 C ATOM 1462 C ALA A 90 1.200 8.928 -4.022 1.00 0.00 C ATOM 1463 O ALA A 90 1.655 9.595 -4.952 1.00 0.00 O ATOM 1464 CB ALA A 90 2.834 7.102 -4.522 1.00 0.00 C ATOM 0 H ALA A 90 0.545 6.243 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 90 2.649 8.149 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.492 7.846 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.434 6.306 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.182 6.683 -5.289 1.00 0.00 H new ATOM 1470 N GLU A 91 0.014 9.173 -3.470 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.834 10.263 -3.936 1.00 0.00 C ATOM 1472 C GLU A 91 -0.506 11.556 -3.200 1.00 0.00 C ATOM 1473 O GLU A 91 -0.316 12.604 -3.816 1.00 0.00 O ATOM 1474 CB GLU A 91 -2.311 9.910 -3.740 1.00 0.00 C ATOM 1475 CG GLU A 91 -3.137 10.025 -5.010 1.00 0.00 C ATOM 1476 CD GLU A 91 -4.372 9.146 -4.982 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -5.258 9.392 -4.136 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.455 8.212 -5.808 1.00 0.00 O ATOM 0 H GLU A 91 -0.380 8.631 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.643 10.411 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.385 8.891 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.735 10.566 -2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.437 11.063 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.520 9.752 -5.866 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.441 11.474 -1.875 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.137 12.637 -1.052 1.00 0.00 C ATOM 1487 C ASN A 92 1.288 12.567 -0.509 1.00 0.00 C ATOM 1488 O ASN A 92 1.880 13.590 -0.162 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.132 12.744 0.105 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.438 13.389 -0.314 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -2.470 14.223 -1.219 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.525 13.005 0.346 1.00 0.00 N ATOM 0 H ASN A 92 -0.595 10.614 -1.349 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.222 13.524 -1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.332 11.749 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.686 13.325 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.433 13.405 0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.452 12.310 1.089 1.00 0.00 H new ATOM 1499 N GLY A 93 1.833 11.356 -0.436 1.00 0.00 N ATOM 1500 CA GLY A 93 3.183 11.179 0.067 1.00 0.00 C ATOM 1501 C GLY A 93 3.223 10.365 1.345 1.00 0.00 C ATOM 1502 O GLY A 93 4.127 10.528 2.164 1.00 0.00 O ATOM 0 H GLY A 93 1.364 10.495 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.789 10.686 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.631 12.156 0.248 1.00 0.00 H new ATOM 1506 N ARG A 94 2.240 9.486 1.515 1.00 0.00 N ATOM 1507 CA ARG A 94 2.166 8.642 2.702 1.00 0.00 C ATOM 1508 C ARG A 94 3.279 7.596 2.707 1.00 0.00 C ATOM 1509 O ARG A 94 3.553 6.978 3.736 1.00 0.00 O ATOM 1510 CB ARG A 94 0.803 7.955 2.779 1.00 0.00 C ATOM 1511 CG ARG A 94 -0.320 8.883 3.211 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.687 8.675 4.672 1.00 0.00 C ATOM 1513 NE ARG A 94 -1.146 9.911 5.303 1.00 0.00 N ATOM 1514 CZ ARG A 94 -0.329 10.860 5.753 1.00 0.00 C ATOM 1515 NH1 ARG A 94 0.986 10.722 5.645 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -0.830 11.953 6.314 1.00 0.00 N ATOM 0 H ARG A 94 1.484 9.340 0.846 1.00 0.00 H new ATOM 0 HA ARG A 94 2.295 9.281 3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.561 7.535 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.864 7.121 3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.017 9.918 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.197 8.710 2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.469 7.919 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.179 8.292 5.212 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.151 10.054 5.404 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.377 9.884 5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.606 11.454 5.992 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.840 12.065 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.205 12.681 6.659 1.00 0.00 H new ATOM 1530 N LEU A 95 3.919 7.401 1.557 1.00 0.00 N ATOM 1531 CA LEU A 95 5.003 6.430 1.441 1.00 0.00 C ATOM 1532 C LEU A 95 6.076 6.689 2.492 1.00 0.00 C ATOM 1533 O LEU A 95 5.934 7.581 3.328 1.00 0.00 O ATOM 1534 CB LEU A 95 5.613 6.478 0.038 1.00 0.00 C ATOM 1535 CG LEU A 95 4.731 5.903 -1.072 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.288 6.269 -2.439 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.609 4.393 -0.931 1.00 0.00 C ATOM 0 H LEU A 95 3.706 7.901 0.694 1.00 0.00 H new ATOM 0 HA LEU A 95 4.590 5.436 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.846 7.515 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.557 5.933 0.050 1.00 0.00 H new ATOM 0 HG LEU A 95 3.735 6.337 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.648 5.852 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.321 7.354 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.295 5.864 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.978 4.003 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.598 3.940 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.163 4.153 0.034 1.00 0.00 H new ATOM 1549 N THR A 96 7.138 5.888 2.459 1.00 0.00 N ATOM 1550 CA THR A 96 8.232 6.009 3.422 1.00 0.00 C ATOM 1551 C THR A 96 7.849 5.318 4.723 1.00 0.00 C ATOM 1552 O THR A 96 8.536 4.405 5.182 1.00 0.00 O ATOM 1553 CB THR A 96 8.582 7.478 3.684 1.00 0.00 C ATOM 1554 OG1 THR A 96 8.405 8.253 2.512 1.00 0.00 O ATOM 1555 CG2 THR A 96 10.006 7.679 4.157 1.00 0.00 C ATOM 0 H THR A 96 7.265 5.144 1.773 1.00 0.00 H new ATOM 0 HA THR A 96 9.114 5.526 3.002 1.00 0.00 H new ATOM 0 HB THR A 96 7.905 7.799 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.632 9.188 2.700 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.188 8.741 4.324 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.160 7.134 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.697 7.307 3.400 1.00 0.00 H new ATOM 1563 N ASN A 97 6.729 5.743 5.297 1.00 0.00 N ATOM 1564 CA ASN A 97 6.228 5.151 6.529 1.00 0.00 C ATOM 1565 C ASN A 97 5.117 4.155 6.211 1.00 0.00 C ATOM 1566 O ASN A 97 4.210 3.941 7.015 1.00 0.00 O ATOM 1567 CB ASN A 97 5.708 6.237 7.472 1.00 0.00 C ATOM 1568 CG ASN A 97 6.745 7.307 7.750 1.00 0.00 C ATOM 1569 OD1 ASN A 97 7.858 7.012 8.187 1.00 0.00 O ATOM 1570 ND2 ASN A 97 6.385 8.561 7.496 1.00 0.00 N ATOM 0 H ASN A 97 6.151 6.497 4.927 1.00 0.00 H new ATOM 0 HA ASN A 97 7.046 4.627 7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.822 6.698 7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.400 5.780 8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.041 9.324 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.452 8.761 7.134 1.00 0.00 H new ATOM 1577 N THR A 98 5.195 3.555 5.020 1.00 0.00 N ATOM 1578 CA THR A 98 4.198 2.586 4.572 1.00 0.00 C ATOM 1579 C THR A 98 3.807 1.594 5.674 1.00 0.00 C ATOM 1580 O THR A 98 2.621 1.319 5.856 1.00 0.00 O ATOM 1581 CB THR A 98 4.685 1.831 3.329 1.00 0.00 C ATOM 1582 OG1 THR A 98 3.864 0.704 3.079 1.00 0.00 O ATOM 1583 CG2 THR A 98 6.114 1.340 3.424 1.00 0.00 C ATOM 0 H THR A 98 5.943 3.726 4.348 1.00 0.00 H new ATOM 0 HA THR A 98 3.305 3.156 4.315 1.00 0.00 H new ATOM 0 HB THR A 98 4.631 2.560 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.332 0.860 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.381 0.817 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.782 2.190 3.565 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.209 0.659 4.270 1.00 0.00 H new ATOM 1591 N PRO A 99 4.780 1.031 6.430 1.00 0.00 N ATOM 1592 CA PRO A 99 4.490 0.072 7.500 1.00 0.00 C ATOM 1593 C PRO A 99 3.278 0.468 8.338 1.00 0.00 C ATOM 1594 O PRO A 99 2.573 -0.391 8.868 1.00 0.00 O ATOM 1595 CB PRO A 99 5.767 0.080 8.361 1.00 0.00 C ATOM 1596 CG PRO A 99 6.673 1.101 7.746 1.00 0.00 C ATOM 1597 CD PRO A 99 6.224 1.259 6.323 1.00 0.00 C ATOM 0 HA PRO A 99 4.242 -0.909 7.096 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.538 0.334 9.396 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.237 -0.903 8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.611 2.049 8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.713 0.777 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.452 2.250 5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.703 0.537 5.662 1.00 0.00 H new ATOM 1605 N ALA A 100 3.037 1.770 8.456 1.00 0.00 N ATOM 1606 CA ALA A 100 1.907 2.265 9.232 1.00 0.00 C ATOM 1607 C ALA A 100 0.587 1.960 8.534 1.00 0.00 C ATOM 1608 O ALA A 100 -0.399 1.601 9.177 1.00 0.00 O ATOM 1609 CB ALA A 100 2.045 3.758 9.484 1.00 0.00 C ATOM 0 H ALA A 100 3.607 2.498 8.026 1.00 0.00 H new ATOM 0 HA ALA A 100 1.907 1.750 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.192 4.109 10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.964 3.950 10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.078 4.286 8.531 1.00 0.00 H new ATOM 1615 N VAL A 101 0.576 2.096 7.213 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.624 1.825 6.430 1.00 0.00 C ATOM 1617 C VAL A 101 -0.739 0.341 6.093 1.00 0.00 C ATOM 1618 O VAL A 101 -1.673 -0.078 5.408 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.639 2.634 5.120 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.988 2.508 4.429 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.304 4.094 5.385 1.00 0.00 C ATOM 0 H VAL A 101 1.382 2.392 6.663 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.472 2.125 7.045 1.00 0.00 H new ATOM 0 HB VAL A 101 0.124 2.226 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.979 3.087 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.183 1.460 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.770 2.887 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.320 4.647 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.040 4.518 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.688 4.165 5.831 1.00 0.00 H new ATOM 1631 N ILE A 102 0.215 -0.454 6.574 1.00 0.00 N ATOM 1632 CA ILE A 102 0.214 -1.888 6.316 1.00 0.00 C ATOM 1633 C ILE A 102 -0.012 -2.680 7.602 1.00 0.00 C ATOM 1634 O ILE A 102 -0.631 -3.744 7.581 1.00 0.00 O ATOM 1635 CB ILE A 102 1.538 -2.343 5.672 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.846 -1.499 4.434 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.475 -3.820 5.311 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.160 -1.854 3.772 1.00 0.00 C ATOM 0 H ILE A 102 0.996 -0.128 7.143 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.605 -2.084 5.624 1.00 0.00 H new ATOM 0 HB ILE A 102 2.342 -2.201 6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.039 -1.621 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.864 -0.447 4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.418 -4.124 4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.299 -4.408 6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.662 -3.988 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.313 -1.216 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.976 -1.705 4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.139 -2.897 3.458 1.00 0.00 H new ATOM 1650 N SER A 103 0.492 -2.160 8.721 1.00 0.00 N ATOM 1651 CA SER A 103 0.336 -2.835 10.007 1.00 0.00 C ATOM 1652 C SER A 103 -1.122 -2.826 10.446 1.00 0.00 C ATOM 1653 O SER A 103 -1.685 -3.871 10.774 1.00 0.00 O ATOM 1654 CB SER A 103 1.213 -2.172 11.073 1.00 0.00 C ATOM 1655 OG SER A 103 2.278 -3.023 11.458 1.00 0.00 O ATOM 0 H SER A 103 1.007 -1.281 8.763 1.00 0.00 H new ATOM 0 HA SER A 103 0.655 -3.870 9.887 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.614 -1.235 10.687 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.607 -1.925 11.945 1.00 0.00 H new ATOM 0 HG SER A 103 2.824 -2.576 12.138 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.733 -1.647 10.439 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.131 -1.515 10.825 1.00 0.00 C ATOM 1663 C ALA A 104 -4.002 -2.474 10.023 1.00 0.00 C ATOM 1664 O ALA A 104 -5.077 -2.874 10.465 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.603 -0.083 10.630 1.00 0.00 C ATOM 0 H ALA A 104 -1.283 -0.772 10.171 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.220 -1.770 11.881 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.650 -0.002 10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.001 0.586 11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.497 0.195 9.581 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.524 -2.836 8.838 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.246 -3.746 7.962 1.00 0.00 C ATOM 1673 C PHE A 105 -4.454 -5.102 8.624 1.00 0.00 C ATOM 1674 O PHE A 105 -5.572 -5.615 8.670 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.479 -3.933 6.656 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.355 -4.299 5.498 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.657 -5.624 5.226 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.875 -3.315 4.678 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.464 -5.957 4.157 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.679 -3.642 3.610 1.00 0.00 C ATOM 1681 CZ PHE A 105 -5.974 -4.963 3.349 1.00 0.00 C ATOM 0 H PHE A 105 -2.634 -2.510 8.462 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.223 -3.307 7.757 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.946 -3.012 6.422 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.727 -4.710 6.793 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.257 -6.404 5.857 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.648 -2.278 4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.695 -6.992 3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.079 -2.864 2.977 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.605 -5.220 2.511 1.00 0.00 H new ATOM 1691 N SER A 106 -3.370 -5.687 9.119 1.00 0.00 N ATOM 1692 CA SER A 106 -3.440 -6.995 9.758 1.00 0.00 C ATOM 1693 C SER A 106 -4.299 -6.961 11.017 1.00 0.00 C ATOM 1694 O SER A 106 -4.866 -7.978 11.415 1.00 0.00 O ATOM 1695 CB SER A 106 -2.036 -7.501 10.095 1.00 0.00 C ATOM 1696 OG SER A 106 -1.422 -8.090 8.962 1.00 0.00 O ATOM 0 H SER A 106 -2.436 -5.278 9.091 1.00 0.00 H new ATOM 0 HA SER A 106 -3.908 -7.680 9.051 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.424 -6.674 10.455 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.093 -8.231 10.903 1.00 0.00 H new ATOM 0 HG SER A 106 -0.525 -8.404 9.202 1.00 0.00 H new ATOM 1702 N THR A 107 -4.398 -5.793 11.640 1.00 0.00 N ATOM 1703 CA THR A 107 -5.199 -5.655 12.848 1.00 0.00 C ATOM 1704 C THR A 107 -6.628 -5.262 12.504 1.00 0.00 C ATOM 1705 O THR A 107 -7.569 -5.630 13.207 1.00 0.00 O ATOM 1706 CB THR A 107 -4.578 -4.622 13.790 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.209 -4.907 14.013 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.260 -4.556 15.139 1.00 0.00 C ATOM 0 H THR A 107 -3.938 -4.936 11.332 1.00 0.00 H new ATOM 0 HA THR A 107 -5.218 -6.620 13.354 1.00 0.00 H new ATOM 0 HB THR A 107 -4.705 -3.662 13.290 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.829 -4.235 14.616 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.770 -3.804 15.758 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.308 -4.289 15.004 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.194 -5.528 15.628 1.00 0.00 H new ATOM 1716 N MET A 108 -6.789 -4.529 11.410 1.00 0.00 N ATOM 1717 CA MET A 108 -8.108 -4.110 10.972 1.00 0.00 C ATOM 1718 C MET A 108 -8.763 -5.216 10.157 1.00 0.00 C ATOM 1719 O MET A 108 -9.988 -5.296 10.076 1.00 0.00 O ATOM 1720 CB MET A 108 -8.018 -2.820 10.157 1.00 0.00 C ATOM 1721 CG MET A 108 -8.026 -1.557 11.008 1.00 0.00 C ATOM 1722 SD MET A 108 -6.858 -1.624 12.382 1.00 0.00 S ATOM 1723 CE MET A 108 -7.974 -1.545 13.780 1.00 0.00 C ATOM 0 H MET A 108 -6.024 -4.215 10.813 1.00 0.00 H new ATOM 0 HA MET A 108 -8.723 -3.914 11.850 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.106 -2.840 9.561 1.00 0.00 H new ATOM 0 HB3 MET A 108 -8.854 -2.783 9.459 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.788 -0.700 10.378 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.030 -1.396 11.400 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.400 -1.577 14.706 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.545 -0.617 13.738 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.658 -2.393 13.748 1.00 0.00 H new ATOM 1733 N MET A 109 -7.939 -6.086 9.571 1.00 0.00 N ATOM 1734 CA MET A 109 -8.456 -7.196 8.791 1.00 0.00 C ATOM 1735 C MET A 109 -9.065 -8.236 9.721 1.00 0.00 C ATOM 1736 O MET A 109 -10.128 -8.776 9.443 1.00 0.00 O ATOM 1737 CB MET A 109 -7.348 -7.823 7.935 1.00 0.00 C ATOM 1738 CG MET A 109 -6.364 -8.676 8.719 1.00 0.00 C ATOM 1739 SD MET A 109 -5.190 -9.535 7.655 1.00 0.00 S ATOM 1740 CE MET A 109 -5.758 -11.225 7.819 1.00 0.00 C ATOM 0 H MET A 109 -6.921 -6.039 9.624 1.00 0.00 H new ATOM 0 HA MET A 109 -9.229 -6.823 8.119 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.806 -8.437 7.160 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.800 -7.028 7.430 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.819 -8.044 9.420 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.914 -9.407 9.311 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.129 -11.880 7.216 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.701 -11.528 8.864 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.790 -11.297 7.476 1.00 0.00 H new ATOM 1750 N SER A 110 -8.395 -8.500 10.841 1.00 0.00 N ATOM 1751 CA SER A 110 -8.897 -9.471 11.807 1.00 0.00 C ATOM 1752 C SER A 110 -10.326 -9.136 12.218 1.00 0.00 C ATOM 1753 O SER A 110 -11.089 -10.016 12.619 1.00 0.00 O ATOM 1754 CB SER A 110 -7.992 -9.518 13.040 1.00 0.00 C ATOM 1755 OG SER A 110 -6.869 -10.354 12.817 1.00 0.00 O ATOM 0 H SER A 110 -7.512 -8.059 11.099 1.00 0.00 H new ATOM 0 HA SER A 110 -8.895 -10.452 11.333 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.656 -8.511 13.287 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.558 -9.885 13.897 1.00 0.00 H new ATOM 0 HG SER A 110 -6.306 -10.366 13.619 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.687 -7.862 12.109 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.028 -7.421 12.463 1.00 0.00 C ATOM 1763 C VAL A 111 -13.022 -7.716 11.340 1.00 0.00 C ATOM 1764 O VAL A 111 -14.233 -7.600 11.531 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.061 -5.915 12.779 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.419 -5.514 13.335 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -10.949 -5.550 13.752 1.00 0.00 C ATOM 0 H VAL A 111 -10.070 -7.119 11.779 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.316 -7.978 13.355 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.898 -5.364 11.852 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.422 -4.446 13.552 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.193 -5.737 12.601 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -13.616 -6.071 14.251 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.987 -4.482 13.964 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -11.079 -6.109 14.679 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.984 -5.798 13.311 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.510 -8.095 10.169 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.355 -8.399 9.035 1.00 0.00 C ATOM 1779 C HIS A 112 -13.851 -9.841 9.091 1.00 0.00 C ATOM 1780 O HIS A 112 -14.901 -10.168 8.539 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.574 -8.153 7.744 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.873 -9.365 7.209 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.125 -10.227 7.983 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -11.823 -9.851 5.961 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -10.647 -11.196 7.223 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.057 -10.990 5.987 1.00 0.00 N ATOM 0 H HIS A 112 -11.511 -8.196 9.990 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.229 -7.748 9.062 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.260 -7.779 6.984 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.837 -7.370 7.922 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -10.966 -10.131 8.986 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.300 -9.423 5.091 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.027 -12.015 7.556 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.085 -10.701 9.756 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.449 -12.104 9.869 1.00 0.00 C ATOM 1797 C ARG A 113 -14.608 -12.286 10.845 1.00 0.00 C ATOM 1798 O ARG A 113 -15.435 -13.182 10.682 1.00 0.00 O ATOM 1799 CB ARG A 113 -12.246 -12.932 10.326 1.00 0.00 C ATOM 1800 CG ARG A 113 -12.170 -14.304 9.676 1.00 0.00 C ATOM 1801 CD ARG A 113 -10.730 -14.721 9.422 1.00 0.00 C ATOM 1802 NE ARG A 113 -10.647 -15.968 8.667 1.00 0.00 N ATOM 1803 CZ ARG A 113 -9.526 -16.428 8.116 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -8.392 -15.747 8.233 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -9.537 -17.573 7.447 1.00 0.00 N ATOM 0 H ARG A 113 -12.213 -10.450 10.222 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.766 -12.452 8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.331 -12.382 10.103 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.289 -13.054 11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.655 -15.039 10.318 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.718 -14.292 8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.215 -13.931 8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.213 -14.839 10.374 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.498 -16.519 8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.377 -14.866 8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.536 -16.105 7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.405 -18.101 7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.678 -17.925 7.025 1.00 0.00 H new ATOM 1819 N GLY A 114 -14.660 -11.428 11.860 1.00 0.00 N ATOM 1820 CA GLY A 114 -15.720 -11.511 12.846 1.00 0.00 C ATOM 1821 C GLY A 114 -17.075 -11.139 12.276 1.00 0.00 C ATOM 1822 O GLY A 114 -18.100 -11.682 12.686 1.00 0.00 O ATOM 0 H GLY A 114 -13.987 -10.678 12.016 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.763 -12.525 13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.487 -10.850 13.681 1.00 0.00 H new ATOM 1826 N GLU A 115 -17.079 -10.210 11.325 1.00 0.00 N ATOM 1827 CA GLU A 115 -18.318 -9.765 10.696 1.00 0.00 C ATOM 1828 C GLU A 115 -18.589 -10.546 9.415 1.00 0.00 C ATOM 1829 O GLU A 115 -19.699 -11.029 9.197 1.00 0.00 O ATOM 1830 CB GLU A 115 -18.249 -8.267 10.390 1.00 0.00 C ATOM 1831 CG GLU A 115 -18.362 -7.387 11.624 1.00 0.00 C ATOM 1832 CD GLU A 115 -19.750 -6.803 11.799 1.00 0.00 C ATOM 1833 OE1 GLU A 115 -20.676 -7.567 12.145 1.00 0.00 O ATOM 1834 OE2 GLU A 115 -19.911 -5.583 11.590 1.00 0.00 O ATOM 0 H GLU A 115 -16.239 -9.751 10.973 1.00 0.00 H new ATOM 0 HA GLU A 115 -19.137 -9.949 11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.307 -8.051 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -19.049 -8.009 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.104 -7.971 12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -17.637 -6.576 11.555 1.00 0.00 H new ATOM 1841 N VAL A 116 -17.564 -10.662 8.572 1.00 0.00 N ATOM 1842 CA VAL A 116 -17.676 -11.384 7.304 1.00 0.00 C ATOM 1843 C VAL A 116 -18.991 -11.069 6.590 1.00 0.00 C ATOM 1844 O VAL A 116 -19.742 -11.975 6.223 1.00 0.00 O ATOM 1845 CB VAL A 116 -17.560 -12.908 7.510 1.00 0.00 C ATOM 1846 CG1 VAL A 116 -16.164 -13.278 7.987 1.00 0.00 C ATOM 1847 CG2 VAL A 116 -18.613 -13.399 8.491 1.00 0.00 C ATOM 0 H VAL A 116 -16.641 -10.263 8.745 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.848 -11.046 6.681 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.734 -13.398 6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -16.101 -14.357 8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -15.431 -12.965 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -15.958 -12.777 8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.514 -14.477 8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.475 -12.902 9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -19.606 -13.171 8.104 1.00 0.00 H new ATOM 1857 N PRO A 117 -19.286 -9.775 6.381 1.00 0.00 N ATOM 1858 CA PRO A 117 -20.516 -9.344 5.707 1.00 0.00 C ATOM 1859 C PRO A 117 -20.512 -9.689 4.222 1.00 0.00 C ATOM 1860 O PRO A 117 -20.136 -8.868 3.385 1.00 0.00 O ATOM 1861 CB PRO A 117 -20.518 -7.827 5.904 1.00 0.00 C ATOM 1862 CG PRO A 117 -19.084 -7.466 6.079 1.00 0.00 C ATOM 1863 CD PRO A 117 -18.447 -8.631 6.784 1.00 0.00 C ATOM 0 HA PRO A 117 -21.398 -9.840 6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -20.953 -7.317 5.044 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -21.107 -7.542 6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -18.607 -7.284 5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -18.980 -6.552 6.664 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -17.409 -8.767 6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -18.446 -8.495 7.865 1.00 0.00 H new ATOM 1871 N CYS A 118 -20.935 -10.908 3.901 1.00 0.00 N ATOM 1872 CA CYS A 118 -20.980 -11.360 2.516 1.00 0.00 C ATOM 1873 C CYS A 118 -22.416 -11.394 2.001 1.00 0.00 C ATOM 1874 O CYS A 118 -23.354 -11.061 2.726 1.00 0.00 O ATOM 1875 CB CYS A 118 -20.348 -12.748 2.389 1.00 0.00 C ATOM 1876 SG CYS A 118 -18.545 -12.752 2.526 1.00 0.00 S ATOM 0 H CYS A 118 -21.251 -11.599 4.581 1.00 0.00 H new ATOM 0 HA CYS A 118 -20.412 -10.653 1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -20.762 -13.396 3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -20.630 -13.177 1.428 1.00 0.00 H new ATOM 0 HG CYS A 118 -18.104 -13.969 2.408 1.00 0.00 H new ATOM 1882 N THR A 119 -22.580 -11.798 0.745 1.00 0.00 N ATOM 1883 CA THR A 119 -23.901 -11.877 0.135 1.00 0.00 C ATOM 1884 C THR A 119 -23.901 -12.845 -1.043 1.00 0.00 C ATOM 1885 O THR A 119 -23.380 -12.536 -2.115 1.00 0.00 O ATOM 1886 CB THR A 119 -24.353 -10.491 -0.330 1.00 0.00 C ATOM 1887 OG1 THR A 119 -25.565 -10.578 -1.060 1.00 0.00 O ATOM 1888 CG2 THR A 119 -23.336 -9.794 -1.209 1.00 0.00 C ATOM 0 H THR A 119 -21.814 -12.075 0.131 1.00 0.00 H new ATOM 0 HA THR A 119 -24.599 -12.248 0.886 1.00 0.00 H new ATOM 0 HB THR A 119 -24.482 -9.907 0.582 1.00 0.00 H new ATOM 0 HG1 THR A 119 -25.839 -9.682 -1.347 1.00 0.00 H new ATOM 0 HG21 THR A 119 -23.719 -8.817 -1.504 1.00 0.00 H new ATOM 0 HG22 THR A 119 -22.404 -9.668 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 119 -23.152 -10.395 -2.099 1.00 0.00 H new ATOM 1896 N VAL A 120 -24.487 -14.021 -0.837 1.00 0.00 N ATOM 1897 CA VAL A 120 -24.553 -15.035 -1.880 1.00 0.00 C ATOM 1898 C VAL A 120 -25.736 -14.789 -2.811 1.00 0.00 C ATOM 1899 O VAL A 120 -26.441 -13.778 -2.616 1.00 0.00 O ATOM 1900 CB VAL A 120 -24.671 -16.449 -1.283 1.00 0.00 C ATOM 1901 CG1 VAL A 120 -23.360 -16.867 -0.636 1.00 0.00 C ATOM 1902 CG2 VAL A 120 -25.813 -16.512 -0.280 1.00 0.00 C ATOM 1903 OXT VAL A 120 -25.947 -15.611 -3.728 1.00 0.00 O ATOM 0 H VAL A 120 -24.923 -14.294 0.044 1.00 0.00 H new ATOM 0 HA VAL A 120 -23.625 -14.965 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 120 -24.889 -17.147 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -23.463 -17.869 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -22.568 -16.865 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -23.108 -16.167 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -25.881 -17.519 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -25.628 -15.802 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -26.749 -16.260 -0.778 1.00 0.00 H new TER 1913 VAL A 120