USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 906 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 107 LYS NZ :NH3+ -156:sc= 2.37 (180deg=0.827) USER MOD Set 1.2: A 108 ASN : amide:sc= 1.63 K(o=4,f=-19!) USER MOD Single : A 3 THR OG1 : rot 40:sc= 0.0994 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 11 THR OG1 : rot -80:sc= -0.263 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= 0.444 (180deg=0.123) USER MOD Single : A 25 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.3) USER MOD Single : A 31 GLN :FLIP amide:sc= -3.73! C(o=-7.8!,f=-3.7!) USER MOD Single : A 32 SER OG : rot -150:sc=-8.76e-05 USER MOD Single : A 37 THR OG1 : rot 94:sc= 1.78 USER MOD Single : A 42 ASN : amide:sc= -6.66! C(o=-6.7!,f=-21!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0699 K(o=-0.07,f=-1.3!) USER MOD Single : A 60 ASN : amide:sc= 0.632 K(o=0.63,f=-3.3!) USER MOD Single : A 63 GLN :FLIP amide:sc= -3.53! C(o=-13!,f=-3.5!) USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= -0.0885 (180deg=-0.468) USER MOD Single : A 70 TYR OH : rot 30:sc= -0.377 USER MOD Single : A 71 HIS : no HE2:sc= -0.675 K(o=-0.67,f=-1.2) USER MOD Single : A 77 TYR OH : rot 110:sc= 1 USER MOD Single : A 78 LYS NZ :NH3+ -106:sc= 0.637 (180deg=0.00761) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00655 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= -0.0256 (180deg=-0.2) USER MOD Single : A 85 MET CE :methyl 161:sc= -0.231 (180deg=-0.762) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 90 SER OG : rot 170:sc= -0.142 USER MOD Single : A 94 SER OG : rot 130:sc= 1.21 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= 1.14 K(o=1.1,f=-0.028) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.0707 X(o=-0.071,f=0) USER MOD Single : A 124 HIS : no HE2:sc= -8.6! C(o=-8.6!,f=-13!) USER MOD Single : A 128 THR OG1 : rot 180:sc=-0.00229 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -15.937 10.046 -3.954 1.00 0.00 N ATOM 31 CA THR A 3 -14.594 9.514 -3.828 1.00 0.00 C ATOM 32 C THR A 3 -14.618 7.995 -3.997 1.00 0.00 C ATOM 33 O THR A 3 -15.566 7.348 -3.557 1.00 0.00 O ATOM 34 CB THR A 3 -14.000 9.888 -2.450 1.00 0.00 C ATOM 35 OG1 THR A 3 -14.006 11.314 -2.294 1.00 0.00 O ATOM 36 CG2 THR A 3 -12.580 9.364 -2.286 1.00 0.00 C ATOM 0 HA THR A 3 -13.967 9.947 -4.608 1.00 0.00 H new ATOM 0 HB THR A 3 -14.619 9.424 -1.683 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.837 11.680 -2.663 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.199 9.648 -1.305 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.581 8.278 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.943 9.791 -3.060 1.00 0.00 H new ATOM 44 N ILE A 4 -13.577 7.444 -4.627 1.00 0.00 N ATOM 45 CA ILE A 4 -13.513 6.014 -4.961 1.00 0.00 C ATOM 46 C ILE A 4 -13.984 5.139 -3.801 1.00 0.00 C ATOM 47 O ILE A 4 -14.867 4.294 -3.953 1.00 0.00 O ATOM 48 CB ILE A 4 -12.075 5.579 -5.338 1.00 0.00 C ATOM 49 CG1 ILE A 4 -11.463 6.520 -6.380 1.00 0.00 C ATOM 50 CG2 ILE A 4 -12.072 4.149 -5.858 1.00 0.00 C ATOM 51 CD1 ILE A 4 -10.585 7.605 -5.786 1.00 0.00 C ATOM 0 H ILE A 4 -12.756 7.973 -4.920 1.00 0.00 H new ATOM 0 HA ILE A 4 -14.176 5.877 -5.815 1.00 0.00 H new ATOM 0 HB ILE A 4 -11.465 5.631 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.873 5.933 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -12.266 6.987 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.054 3.859 -6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -12.454 3.480 -5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -12.706 4.082 -6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.188 8.231 -6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.175 8.218 -5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.760 7.147 -5.240 1.00 0.00 H new ATOM 63 N VAL A 5 -13.400 5.379 -2.640 1.00 0.00 N ATOM 64 CA VAL A 5 -13.680 4.604 -1.445 1.00 0.00 C ATOM 65 C VAL A 5 -15.078 4.885 -0.892 1.00 0.00 C ATOM 66 O VAL A 5 -15.747 3.988 -0.393 1.00 0.00 O ATOM 67 CB VAL A 5 -12.634 4.905 -0.358 1.00 0.00 C ATOM 68 CG1 VAL A 5 -12.399 6.398 -0.227 1.00 0.00 C ATOM 69 CG2 VAL A 5 -13.065 4.315 0.959 1.00 0.00 C ATOM 0 H VAL A 5 -12.715 6.121 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.633 3.552 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.691 4.444 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.655 6.583 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.039 6.794 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.333 6.891 0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.316 4.536 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -14.021 4.747 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.171 3.235 0.857 1.00 0.00 H new ATOM 79 N ASP A 6 -15.503 6.134 -0.981 1.00 0.00 N ATOM 80 CA ASP A 6 -16.800 6.553 -0.450 1.00 0.00 C ATOM 81 C ASP A 6 -17.908 5.725 -1.057 1.00 0.00 C ATOM 82 O ASP A 6 -18.825 5.265 -0.373 1.00 0.00 O ATOM 83 CB ASP A 6 -17.062 8.017 -0.773 1.00 0.00 C ATOM 84 CG ASP A 6 -18.289 8.551 -0.060 1.00 0.00 C ATOM 85 OD1 ASP A 6 -18.174 8.933 1.124 1.00 0.00 O ATOM 86 OD2 ASP A 6 -19.371 8.595 -0.679 1.00 0.00 O1- ATOM 0 H ASP A 6 -14.968 6.884 -1.418 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.779 6.412 0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.193 8.611 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.190 8.132 -1.849 1.00 0.00 H new ATOM 91 N ILE A 7 -17.796 5.554 -2.359 1.00 0.00 N ATOM 92 CA ILE A 7 -18.729 4.752 -3.135 1.00 0.00 C ATOM 93 C ILE A 7 -18.879 3.339 -2.566 1.00 0.00 C ATOM 94 O ILE A 7 -19.905 2.710 -2.754 1.00 0.00 O ATOM 95 CB ILE A 7 -18.275 4.670 -4.601 1.00 0.00 C ATOM 96 CG1 ILE A 7 -18.036 6.079 -5.132 1.00 0.00 C ATOM 97 CG2 ILE A 7 -19.321 3.955 -5.452 1.00 0.00 C ATOM 98 CD1 ILE A 7 -17.085 6.126 -6.303 1.00 0.00 C ATOM 0 H ILE A 7 -17.049 5.970 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 7 -19.700 5.244 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 7 -17.349 4.098 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -18.990 6.513 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -17.641 6.700 -4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -18.979 3.908 -6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -19.469 2.944 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -20.263 4.501 -5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.961 7.158 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.118 5.722 -6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -17.488 5.532 -7.123 1.00 0.00 H new ATOM 110 N ALA A 8 -17.874 2.853 -1.849 1.00 0.00 N ATOM 111 CA ALA A 8 -17.936 1.517 -1.262 1.00 0.00 C ATOM 112 C ALA A 8 -19.095 1.406 -0.269 1.00 0.00 C ATOM 113 O ALA A 8 -19.762 0.378 -0.191 1.00 0.00 O ATOM 114 CB ALA A 8 -16.617 1.169 -0.592 1.00 0.00 C ATOM 0 H ALA A 8 -17.009 3.360 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.114 0.801 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.681 0.170 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.816 1.194 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.407 1.892 0.196 1.00 0.00 H new ATOM 120 N VAL A 9 -19.333 2.466 0.494 1.00 0.00 N ATOM 121 CA VAL A 9 -20.482 2.514 1.399 1.00 0.00 C ATOM 122 C VAL A 9 -21.762 2.847 0.623 1.00 0.00 C ATOM 123 O VAL A 9 -22.877 2.590 1.082 1.00 0.00 O ATOM 124 CB VAL A 9 -20.271 3.563 2.517 1.00 0.00 C ATOM 125 CG1 VAL A 9 -21.374 3.484 3.564 1.00 0.00 C ATOM 126 CG2 VAL A 9 -18.909 3.385 3.167 1.00 0.00 C ATOM 0 H VAL A 9 -18.750 3.303 0.507 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.581 1.530 1.858 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.313 4.551 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.197 4.233 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.338 3.670 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.377 2.492 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.779 4.132 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.841 2.388 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.129 3.508 2.416 1.00 0.00 H new ATOM 136 N ASN A 10 -21.585 3.394 -0.569 1.00 0.00 N ATOM 137 CA ASN A 10 -22.698 3.845 -1.402 1.00 0.00 C ATOM 138 C ASN A 10 -23.198 2.730 -2.319 1.00 0.00 C ATOM 139 O ASN A 10 -24.355 2.725 -2.737 1.00 0.00 O ATOM 140 CB ASN A 10 -22.232 5.024 -2.237 1.00 0.00 C ATOM 141 CG ASN A 10 -23.281 5.616 -3.135 1.00 0.00 C ATOM 142 OD1 ASN A 10 -24.482 5.534 -2.875 1.00 0.00 O ATOM 143 ND2 ASN A 10 -22.816 6.260 -4.183 1.00 0.00 N ATOM 0 H ASN A 10 -20.667 3.540 -0.990 1.00 0.00 H new ATOM 0 HA ASN A 10 -23.525 4.137 -0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -21.866 5.803 -1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -21.388 4.706 -2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -23.460 6.721 -4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -21.811 6.298 -4.354 1.00 0.00 H new ATOM 150 N THR A 11 -22.315 1.789 -2.621 1.00 0.00 N ATOM 151 CA THR A 11 -22.606 0.726 -3.573 1.00 0.00 C ATOM 152 C THR A 11 -23.826 -0.095 -3.183 1.00 0.00 C ATOM 153 O THR A 11 -23.969 -0.503 -2.029 1.00 0.00 O ATOM 154 CB THR A 11 -21.416 -0.227 -3.738 1.00 0.00 C ATOM 155 OG1 THR A 11 -20.851 -0.544 -2.463 1.00 0.00 O ATOM 156 CG2 THR A 11 -20.362 0.376 -4.648 1.00 0.00 C ATOM 0 H THR A 11 -21.380 1.740 -2.215 1.00 0.00 H new ATOM 0 HA THR A 11 -22.810 1.233 -4.516 1.00 0.00 H new ATOM 0 HB THR A 11 -21.778 -1.146 -4.199 1.00 0.00 H new ATOM 0 HG1 THR A 11 -20.264 0.186 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.528 -0.319 -4.749 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.796 0.568 -5.629 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.004 1.312 -4.220 1.00 0.00 H new ATOM 164 N PRO A 12 -24.721 -0.357 -4.144 1.00 0.00 N ATOM 165 CA PRO A 12 -25.880 -1.214 -3.934 1.00 0.00 C ATOM 166 C PRO A 12 -25.508 -2.688 -3.965 1.00 0.00 C ATOM 167 O PRO A 12 -25.905 -3.424 -4.869 1.00 0.00 O ATOM 168 CB PRO A 12 -26.812 -0.872 -5.109 1.00 0.00 C ATOM 169 CG PRO A 12 -26.162 0.259 -5.831 1.00 0.00 C ATOM 170 CD PRO A 12 -24.705 0.172 -5.509 1.00 0.00 C ATOM 0 HA PRO A 12 -26.337 -1.047 -2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.943 -1.731 -5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.803 -0.590 -4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.329 0.183 -6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.576 1.215 -5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -24.175 -0.488 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -24.217 1.145 -5.563 1.00 0.00 H new ATOM 178 N GLY A 13 -24.727 -3.108 -2.983 1.00 0.00 N ATOM 179 CA GLY A 13 -24.354 -4.502 -2.883 1.00 0.00 C ATOM 180 C GLY A 13 -23.347 -4.902 -3.939 1.00 0.00 C ATOM 181 O GLY A 13 -23.520 -5.916 -4.621 1.00 0.00 O ATOM 0 H GLY A 13 -24.344 -2.508 -2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -23.937 -4.695 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -25.245 -5.122 -2.980 1.00 0.00 H new ATOM 185 N PHE A 14 -22.312 -4.088 -4.101 1.00 0.00 N ATOM 186 CA PHE A 14 -21.238 -4.391 -5.048 1.00 0.00 C ATOM 187 C PHE A 14 -20.455 -5.632 -4.631 1.00 0.00 C ATOM 188 O PHE A 14 -20.820 -6.327 -3.679 1.00 0.00 O ATOM 189 CB PHE A 14 -20.267 -3.219 -5.167 1.00 0.00 C ATOM 190 CG PHE A 14 -20.149 -2.668 -6.561 1.00 0.00 C ATOM 191 CD1 PHE A 14 -21.184 -1.936 -7.120 1.00 0.00 C ATOM 192 CD2 PHE A 14 -19.001 -2.876 -7.308 1.00 0.00 C ATOM 193 CE1 PHE A 14 -21.075 -1.422 -8.398 1.00 0.00 C ATOM 194 CE2 PHE A 14 -18.888 -2.366 -8.587 1.00 0.00 C ATOM 195 CZ PHE A 14 -19.926 -1.638 -9.132 1.00 0.00 C ATOM 0 H PHE A 14 -22.190 -3.213 -3.591 1.00 0.00 H new ATOM 0 HA PHE A 14 -21.713 -4.575 -6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.590 -2.422 -4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -19.282 -3.540 -4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -22.086 -1.765 -6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -18.185 -3.443 -6.886 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -21.888 -0.852 -8.822 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.988 -2.537 -9.160 1.00 0.00 H new ATOM 0 HZ PHE A 14 -19.840 -1.238 -10.131 1.00 0.00 H new ATOM 205 N SER A 15 -19.376 -5.894 -5.350 1.00 0.00 N ATOM 206 CA SER A 15 -18.487 -6.996 -5.039 1.00 0.00 C ATOM 207 C SER A 15 -17.922 -6.857 -3.626 1.00 0.00 C ATOM 208 O SER A 15 -17.957 -5.775 -3.028 1.00 0.00 O ATOM 209 CB SER A 15 -17.350 -7.027 -6.059 1.00 0.00 C ATOM 210 OG SER A 15 -17.861 -7.068 -7.382 1.00 0.00 O ATOM 0 H SER A 15 -19.094 -5.348 -6.164 1.00 0.00 H new ATOM 0 HA SER A 15 -19.049 -7.929 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.720 -6.146 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.719 -7.898 -5.881 1.00 0.00 H new ATOM 0 HG SER A 15 -17.117 -7.086 -8.020 1.00 0.00 H new ATOM 216 N THR A 16 -17.385 -7.952 -3.105 1.00 0.00 N ATOM 217 CA THR A 16 -16.822 -7.970 -1.763 1.00 0.00 C ATOM 218 C THR A 16 -15.639 -7.011 -1.663 1.00 0.00 C ATOM 219 O THR A 16 -15.258 -6.597 -0.575 1.00 0.00 O ATOM 220 CB THR A 16 -16.381 -9.395 -1.357 1.00 0.00 C ATOM 221 OG1 THR A 16 -17.446 -10.328 -1.603 1.00 0.00 O ATOM 222 CG2 THR A 16 -15.998 -9.453 0.115 1.00 0.00 C ATOM 0 H THR A 16 -17.328 -8.844 -3.596 1.00 0.00 H new ATOM 0 HA THR A 16 -17.602 -7.644 -1.075 1.00 0.00 H new ATOM 0 HB THR A 16 -15.510 -9.659 -1.957 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.158 -11.229 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.692 -10.467 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 16 -15.173 -8.766 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.855 -9.167 0.725 1.00 0.00 H new ATOM 230 N LEU A 17 -15.078 -6.652 -2.812 1.00 0.00 N ATOM 231 CA LEU A 17 -13.990 -5.683 -2.875 1.00 0.00 C ATOM 232 C LEU A 17 -14.343 -4.387 -2.141 1.00 0.00 C ATOM 233 O LEU A 17 -13.480 -3.770 -1.519 1.00 0.00 O ATOM 234 CB LEU A 17 -13.644 -5.370 -4.334 1.00 0.00 C ATOM 235 CG LEU A 17 -13.130 -6.555 -5.155 1.00 0.00 C ATOM 236 CD1 LEU A 17 -12.916 -6.146 -6.603 1.00 0.00 C ATOM 237 CD2 LEU A 17 -11.839 -7.099 -4.560 1.00 0.00 C ATOM 0 H LEU A 17 -15.362 -7.021 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.126 -6.128 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.532 -4.969 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.889 -4.584 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.881 -7.344 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.550 -7.001 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.860 -5.804 -7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.184 -5.340 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.489 -7.941 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.081 -6.316 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.021 -7.430 -3.538 1.00 0.00 H new ATOM 249 N VAL A 18 -15.612 -3.978 -2.195 1.00 0.00 N ATOM 250 CA VAL A 18 -16.016 -2.730 -1.551 1.00 0.00 C ATOM 251 C VAL A 18 -16.209 -2.955 -0.066 1.00 0.00 C ATOM 252 O VAL A 18 -16.057 -2.045 0.747 1.00 0.00 O ATOM 253 CB VAL A 18 -17.311 -2.137 -2.153 1.00 0.00 C ATOM 254 CG1 VAL A 18 -17.250 -2.185 -3.664 1.00 0.00 C ATOM 255 CG2 VAL A 18 -18.561 -2.844 -1.633 1.00 0.00 C ATOM 0 H VAL A 18 -16.363 -4.481 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.216 -2.011 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.381 -1.097 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.166 -1.765 -4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -16.395 -1.605 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -17.144 -3.219 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.447 -2.395 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.517 -3.901 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.613 -2.742 -0.549 1.00 0.00 H new ATOM 265 N THR A 19 -16.546 -4.179 0.278 1.00 0.00 N ATOM 266 CA THR A 19 -16.789 -4.526 1.655 1.00 0.00 C ATOM 267 C THR A 19 -15.487 -4.832 2.370 1.00 0.00 C ATOM 268 O THR A 19 -15.376 -4.628 3.565 1.00 0.00 O ATOM 269 CB THR A 19 -17.734 -5.723 1.773 1.00 0.00 C ATOM 270 OG1 THR A 19 -18.684 -5.698 0.696 1.00 0.00 O ATOM 271 CG2 THR A 19 -18.470 -5.675 3.104 1.00 0.00 C ATOM 0 H THR A 19 -16.657 -4.950 -0.381 1.00 0.00 H new ATOM 0 HA THR A 19 -17.263 -3.665 2.127 1.00 0.00 H new ATOM 0 HB THR A 19 -17.151 -6.642 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.287 -6.467 0.773 1.00 0.00 H new ATOM 0 HG21 THR A 19 -19.141 -6.531 3.180 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.748 -5.706 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 19 -19.049 -4.754 3.167 1.00 0.00 H new ATOM 279 N ALA A 20 -14.503 -5.300 1.622 1.00 0.00 N ATOM 280 CA ALA A 20 -13.197 -5.623 2.172 1.00 0.00 C ATOM 281 C ALA A 20 -12.523 -4.393 2.784 1.00 0.00 C ATOM 282 O ALA A 20 -11.858 -4.492 3.806 1.00 0.00 O ATOM 283 CB ALA A 20 -12.343 -6.266 1.103 1.00 0.00 C ATOM 0 H ALA A 20 -14.586 -5.467 0.619 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.324 -6.336 2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.364 -6.508 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.825 -7.179 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.224 -5.575 0.268 1.00 0.00 H new ATOM 289 N VAL A 21 -12.711 -3.229 2.179 1.00 0.00 N ATOM 290 CA VAL A 21 -12.248 -1.987 2.794 1.00 0.00 C ATOM 291 C VAL A 21 -13.198 -1.560 3.917 1.00 0.00 C ATOM 292 O VAL A 21 -12.762 -1.067 4.959 1.00 0.00 O ATOM 293 CB VAL A 21 -12.083 -0.840 1.764 1.00 0.00 C ATOM 294 CG1 VAL A 21 -13.210 -0.844 0.741 1.00 0.00 C ATOM 295 CG2 VAL A 21 -12.034 0.495 2.479 1.00 0.00 C ATOM 0 H VAL A 21 -13.173 -3.115 1.277 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.261 -2.187 3.212 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.146 -0.999 1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.063 -0.027 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.211 -1.793 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.165 -0.715 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.918 1.295 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.959 0.644 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.190 0.508 3.168 1.00 0.00 H new ATOM 305 N LYS A 22 -14.492 -1.787 3.710 1.00 0.00 N ATOM 306 CA LYS A 22 -15.508 -1.435 4.697 1.00 0.00 C ATOM 307 C LYS A 22 -15.315 -2.219 5.992 1.00 0.00 C ATOM 308 O LYS A 22 -15.465 -1.684 7.089 1.00 0.00 O ATOM 309 CB LYS A 22 -16.912 -1.696 4.130 1.00 0.00 C ATOM 310 CG LYS A 22 -17.542 -0.488 3.471 1.00 0.00 C ATOM 311 CD LYS A 22 -18.979 -0.719 3.053 1.00 0.00 C ATOM 312 CE LYS A 22 -19.094 -1.710 1.909 1.00 0.00 C ATOM 313 NZ LYS A 22 -20.500 -1.875 1.459 1.00 0.00 N1+ ATOM 0 H LYS A 22 -14.863 -2.216 2.862 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.403 -0.374 4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.855 -2.506 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.561 -2.037 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.502 0.356 4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.955 -0.213 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.549 -1.085 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.425 0.230 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.482 -1.372 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.698 -2.675 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.623 -2.820 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.140 -1.769 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.724 -1.151 0.746 1.00 0.00 H new ATOM 327 N VAL A 23 -14.972 -3.484 5.850 1.00 0.00 N ATOM 328 CA VAL A 23 -14.759 -4.361 6.990 1.00 0.00 C ATOM 329 C VAL A 23 -13.404 -4.078 7.626 1.00 0.00 C ATOM 330 O VAL A 23 -13.238 -4.143 8.845 1.00 0.00 O ATOM 331 CB VAL A 23 -14.842 -5.846 6.574 1.00 0.00 C ATOM 332 CG1 VAL A 23 -13.789 -6.181 5.531 1.00 0.00 C ATOM 333 CG2 VAL A 23 -14.688 -6.731 7.789 1.00 0.00 C ATOM 0 H VAL A 23 -14.833 -3.934 4.945 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.547 -4.164 7.717 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.820 -6.025 6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.870 -7.233 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.943 -5.562 4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.797 -5.989 5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.748 -7.777 7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.721 -6.543 8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.484 -6.513 8.501 1.00 0.00 H new ATOM 343 N ALA A 24 -12.447 -3.735 6.781 1.00 0.00 N ATOM 344 CA ALA A 24 -11.101 -3.427 7.226 1.00 0.00 C ATOM 345 C ALA A 24 -11.029 -2.051 7.855 1.00 0.00 C ATOM 346 O ALA A 24 -9.970 -1.631 8.285 1.00 0.00 O ATOM 347 CB ALA A 24 -10.138 -3.480 6.075 1.00 0.00 C ATOM 0 H ALA A 24 -12.581 -3.663 5.772 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.830 -4.175 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.134 -3.246 6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.146 -4.479 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.434 -2.753 5.319 1.00 0.00 H new ATOM 353 N ASN A 25 -12.160 -1.354 7.849 1.00 0.00 N ATOM 354 CA ASN A 25 -12.307 -0.029 8.438 1.00 0.00 C ATOM 355 C ASN A 25 -11.494 1.043 7.702 1.00 0.00 C ATOM 356 O ASN A 25 -11.337 2.163 8.188 1.00 0.00 O ATOM 357 CB ASN A 25 -12.012 -0.072 9.951 1.00 0.00 C ATOM 358 CG ASN A 25 -10.552 0.131 10.370 1.00 0.00 C ATOM 359 OD1 ASN A 25 -9.877 -0.820 10.758 1.00 0.00 O ATOM 360 ND2 ASN A 25 -10.060 1.357 10.316 1.00 0.00 N ATOM 0 H ASN A 25 -13.019 -1.703 7.425 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.347 0.272 8.315 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.616 0.693 10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.347 -1.035 10.336 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.096 1.533 10.601 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.644 2.127 9.990 1.00 0.00 H new ATOM 367 N LEU A 26 -11.040 0.732 6.494 1.00 0.00 N ATOM 368 CA LEU A 26 -10.273 1.699 5.716 1.00 0.00 C ATOM 369 C LEU A 26 -11.162 2.533 4.817 1.00 0.00 C ATOM 370 O LEU A 26 -10.667 3.307 3.998 1.00 0.00 O ATOM 371 CB LEU A 26 -9.179 1.030 4.889 1.00 0.00 C ATOM 372 CG LEU A 26 -7.841 0.874 5.611 1.00 0.00 C ATOM 373 CD1 LEU A 26 -7.930 -0.195 6.677 1.00 0.00 C ATOM 374 CD2 LEU A 26 -6.735 0.567 4.623 1.00 0.00 C ATOM 0 H LEU A 26 -11.186 -0.168 6.037 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.797 2.361 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.527 0.044 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.021 1.612 3.981 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.603 1.818 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.967 -0.290 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.693 0.080 7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.194 -1.147 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.790 0.460 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.963 -0.361 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.654 1.381 3.903 1.00 0.00 H new ATOM 386 N VAL A 27 -12.469 2.388 4.973 1.00 0.00 N ATOM 387 CA VAL A 27 -13.413 3.184 4.204 1.00 0.00 C ATOM 388 C VAL A 27 -13.198 4.661 4.488 1.00 0.00 C ATOM 389 O VAL A 27 -13.309 5.496 3.605 1.00 0.00 O ATOM 390 CB VAL A 27 -14.874 2.780 4.503 1.00 0.00 C ATOM 391 CG1 VAL A 27 -15.711 3.956 4.999 1.00 0.00 C ATOM 392 CG2 VAL A 27 -15.507 2.152 3.270 1.00 0.00 C ATOM 0 H VAL A 27 -12.899 1.729 5.622 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.232 2.994 3.146 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.852 2.046 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.729 3.621 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.276 4.351 5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.726 4.738 4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.536 1.871 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.496 2.870 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.943 1.265 2.983 1.00 0.00 H new ATOM 402 N GLU A 28 -12.883 4.965 5.729 1.00 0.00 N ATOM 403 CA GLU A 28 -12.572 6.332 6.123 1.00 0.00 C ATOM 404 C GLU A 28 -11.099 6.672 5.881 1.00 0.00 C ATOM 405 O GLU A 28 -10.729 7.843 5.815 1.00 0.00 O ATOM 406 CB GLU A 28 -12.942 6.555 7.583 1.00 0.00 C ATOM 407 CG GLU A 28 -12.569 5.397 8.486 1.00 0.00 C ATOM 408 CD GLU A 28 -13.003 5.616 9.918 1.00 0.00 C ATOM 409 OE1 GLU A 28 -14.146 5.243 10.258 1.00 0.00 O ATOM 410 OE2 GLU A 28 -12.209 6.165 10.711 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.834 4.285 6.488 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.166 7.001 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.447 7.458 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.016 6.730 7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.026 4.483 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.489 5.250 8.455 1.00 0.00 H new ATOM 417 N ALA A 29 -10.267 5.647 5.743 1.00 0.00 N ATOM 418 CA ALA A 29 -8.838 5.840 5.558 1.00 0.00 C ATOM 419 C ALA A 29 -8.501 6.240 4.122 1.00 0.00 C ATOM 420 O ALA A 29 -7.841 7.252 3.892 1.00 0.00 O ATOM 421 CB ALA A 29 -8.081 4.582 5.954 1.00 0.00 C ATOM 0 H ALA A 29 -10.561 4.670 5.756 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.527 6.660 6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.012 4.740 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.277 4.354 7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.411 3.749 5.334 1.00 0.00 H new ATOM 427 N LEU A 30 -8.962 5.437 3.163 1.00 0.00 N ATOM 428 CA LEU A 30 -8.711 5.677 1.731 1.00 0.00 C ATOM 429 C LEU A 30 -9.251 7.030 1.251 1.00 0.00 C ATOM 430 O LEU A 30 -8.978 7.454 0.131 1.00 0.00 O ATOM 431 CB LEU A 30 -9.366 4.594 0.887 1.00 0.00 C ATOM 432 CG LEU A 30 -9.154 3.161 1.352 1.00 0.00 C ATOM 433 CD1 LEU A 30 -9.779 2.212 0.358 1.00 0.00 C ATOM 434 CD2 LEU A 30 -7.684 2.839 1.533 1.00 0.00 C ATOM 0 H LEU A 30 -9.519 4.603 3.350 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.627 5.669 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.438 4.788 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.993 4.682 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.633 3.045 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.627 1.185 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.847 2.415 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.314 2.350 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.576 1.807 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.163 2.971 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.254 3.507 2.279 1.00 0.00 H new ATOM 446 N GLN A 31 -10.035 7.681 2.097 1.00 0.00 N ATOM 447 CA GLN A 31 -10.723 8.928 1.742 1.00 0.00 C ATOM 448 C GLN A 31 -9.766 10.098 1.538 1.00 0.00 C ATOM 449 O GLN A 31 -10.192 11.169 1.105 1.00 0.00 O ATOM 450 CB GLN A 31 -11.722 9.293 2.831 1.00 0.00 C ATOM 451 CG GLN A 31 -12.776 8.235 3.040 1.00 0.00 C ATOM 452 CD GLN A 31 -13.955 8.358 2.110 1.00 0.00 C ATOM 453 OE1 GLN A 31 -14.450 7.222 1.662 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -14.377 9.456 1.748 1.00 0.00 N flip ATOM 0 H GLN A 31 -10.217 7.366 3.050 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.229 8.747 0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.188 9.456 3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.206 10.235 2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.322 7.253 2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.130 8.287 4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.963 10.310 2.122 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.141 9.512 1.074 1.00 0.00 H new ATOM 463 N SER A 32 -8.497 9.901 1.867 1.00 0.00 N ATOM 464 CA SER A 32 -7.492 10.951 1.742 1.00 0.00 C ATOM 465 C SER A 32 -7.459 11.536 0.325 1.00 0.00 C ATOM 466 O SER A 32 -7.093 10.855 -0.629 1.00 0.00 O ATOM 467 CB SER A 32 -6.122 10.387 2.106 1.00 0.00 C ATOM 468 OG SER A 32 -6.151 9.773 3.384 1.00 0.00 O ATOM 0 H SER A 32 -8.136 9.017 2.225 1.00 0.00 H new ATOM 0 HA SER A 32 -7.755 11.758 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.813 9.660 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.381 11.187 2.099 1.00 0.00 H new ATOM 0 HG SER A 32 -5.268 9.848 3.803 1.00 0.00 H new ATOM 474 N PRO A 33 -7.849 12.812 0.175 1.00 0.00 N ATOM 475 CA PRO A 33 -7.886 13.481 -1.128 1.00 0.00 C ATOM 476 C PRO A 33 -6.509 13.937 -1.600 1.00 0.00 C ATOM 477 O PRO A 33 -6.327 14.319 -2.759 1.00 0.00 O ATOM 478 CB PRO A 33 -8.767 14.698 -0.871 1.00 0.00 C ATOM 479 CG PRO A 33 -8.610 14.999 0.581 1.00 0.00 C ATOM 480 CD PRO A 33 -8.306 13.693 1.266 1.00 0.00 C ATOM 0 HA PRO A 33 -8.251 12.813 -1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.457 15.544 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.808 14.489 -1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.805 15.716 0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.520 15.444 0.984 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.538 13.813 2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.188 13.288 1.762 1.00 0.00 H new ATOM 488 N GLY A 34 -5.555 13.913 -0.688 1.00 0.00 N ATOM 489 CA GLY A 34 -4.214 14.367 -0.990 1.00 0.00 C ATOM 490 C GLY A 34 -3.407 13.381 -1.821 1.00 0.00 C ATOM 491 O GLY A 34 -3.909 12.806 -2.788 1.00 0.00 O ATOM 0 H GLY A 34 -5.686 13.583 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.273 15.316 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.686 14.559 -0.056 1.00 0.00 H new ATOM 495 N PRO A 35 -2.132 13.185 -1.470 1.00 0.00 N ATOM 496 CA PRO A 35 -1.219 12.338 -2.230 1.00 0.00 C ATOM 497 C PRO A 35 -1.313 10.850 -1.879 1.00 0.00 C ATOM 498 O PRO A 35 -1.865 10.478 -0.844 1.00 0.00 O ATOM 499 CB PRO A 35 0.147 12.892 -1.851 1.00 0.00 C ATOM 500 CG PRO A 35 -0.017 13.503 -0.501 1.00 0.00 C ATOM 501 CD PRO A 35 -1.478 13.803 -0.308 1.00 0.00 C ATOM 0 HA PRO A 35 -1.443 12.367 -3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.897 12.101 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.482 13.633 -2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.339 12.822 0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.574 14.415 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.850 13.384 0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.662 14.877 -0.272 1.00 0.00 H new ATOM 509 N PHE A 36 -0.732 10.006 -2.737 1.00 0.00 N ATOM 510 CA PHE A 36 -0.830 8.557 -2.593 1.00 0.00 C ATOM 511 C PHE A 36 0.503 7.877 -2.901 1.00 0.00 C ATOM 512 O PHE A 36 1.048 8.031 -3.991 1.00 0.00 O ATOM 513 CB PHE A 36 -1.908 7.995 -3.528 1.00 0.00 C ATOM 514 CG PHE A 36 -3.316 8.181 -3.030 1.00 0.00 C ATOM 515 CD1 PHE A 36 -3.874 7.266 -2.152 1.00 0.00 C ATOM 516 CD2 PHE A 36 -4.082 9.258 -3.443 1.00 0.00 C ATOM 517 CE1 PHE A 36 -5.168 7.421 -1.695 1.00 0.00 C ATOM 518 CE2 PHE A 36 -5.377 9.418 -2.991 1.00 0.00 C ATOM 519 CZ PHE A 36 -5.920 8.498 -2.116 1.00 0.00 C ATOM 0 H PHE A 36 -0.186 10.308 -3.543 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.100 8.351 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.813 8.474 -4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.725 6.931 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.289 6.420 -1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.662 9.981 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.590 6.701 -1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.965 10.262 -3.321 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.933 8.622 -1.762 1.00 0.00 H new ATOM 529 N THR A 37 1.012 7.123 -1.943 1.00 0.00 N ATOM 530 CA THR A 37 2.246 6.378 -2.113 1.00 0.00 C ATOM 531 C THR A 37 1.967 4.883 -2.261 1.00 0.00 C ATOM 532 O THR A 37 1.426 4.242 -1.360 1.00 0.00 O ATOM 533 CB THR A 37 3.195 6.621 -0.927 1.00 0.00 C ATOM 534 OG1 THR A 37 3.634 7.980 -0.946 1.00 0.00 O ATOM 535 CG2 THR A 37 4.402 5.697 -0.978 1.00 0.00 C ATOM 0 H THR A 37 0.581 7.010 -1.025 1.00 0.00 H new ATOM 0 HA THR A 37 2.726 6.732 -3.025 1.00 0.00 H new ATOM 0 HB THR A 37 2.650 6.412 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.047 8.521 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.050 5.897 -0.125 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.068 4.660 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.954 5.871 -1.902 1.00 0.00 H new ATOM 543 N VAL A 38 2.336 4.341 -3.405 1.00 0.00 N ATOM 544 CA VAL A 38 2.100 2.945 -3.712 1.00 0.00 C ATOM 545 C VAL A 38 3.409 2.166 -3.687 1.00 0.00 C ATOM 546 O VAL A 38 4.338 2.484 -4.426 1.00 0.00 O ATOM 547 CB VAL A 38 1.465 2.782 -5.112 1.00 0.00 C ATOM 548 CG1 VAL A 38 1.134 1.327 -5.390 1.00 0.00 C ATOM 549 CG2 VAL A 38 0.225 3.651 -5.259 1.00 0.00 C ATOM 0 H VAL A 38 2.808 4.857 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 38 1.417 2.558 -2.956 1.00 0.00 H new ATOM 0 HB VAL A 38 2.197 3.114 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.688 1.238 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.046 0.732 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.429 0.965 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.199 3.515 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.511 3.364 -4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.496 4.698 -5.120 1.00 0.00 H new ATOM 559 N PHE A 39 3.497 1.153 -2.837 1.00 0.00 N ATOM 560 CA PHE A 39 4.625 0.237 -2.908 1.00 0.00 C ATOM 561 C PHE A 39 4.297 -0.778 -3.985 1.00 0.00 C ATOM 562 O PHE A 39 3.374 -1.580 -3.833 1.00 0.00 O ATOM 563 CB PHE A 39 4.894 -0.500 -1.583 1.00 0.00 C ATOM 564 CG PHE A 39 5.219 0.374 -0.403 1.00 0.00 C ATOM 565 CD1 PHE A 39 4.931 1.732 -0.391 1.00 0.00 C ATOM 566 CD2 PHE A 39 5.816 -0.188 0.709 1.00 0.00 C ATOM 567 CE1 PHE A 39 5.237 2.509 0.711 1.00 0.00 C ATOM 568 CE2 PHE A 39 6.122 0.582 1.814 1.00 0.00 C ATOM 569 CZ PHE A 39 5.830 1.932 1.816 1.00 0.00 C ATOM 0 H PHE A 39 2.817 0.947 -2.105 1.00 0.00 H new ATOM 0 HA PHE A 39 5.526 0.809 -3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.017 -1.099 -1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.721 -1.194 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.463 2.186 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.046 -1.243 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.012 3.565 0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.589 0.129 2.676 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.065 2.535 2.681 1.00 0.00 H new ATOM 579 N ALA A 40 5.027 -0.713 -5.072 1.00 0.00 N ATOM 580 CA ALA A 40 4.717 -1.522 -6.248 1.00 0.00 C ATOM 581 C ALA A 40 5.533 -2.807 -6.279 1.00 0.00 C ATOM 582 O ALA A 40 6.743 -2.772 -6.444 1.00 0.00 O ATOM 583 CB ALA A 40 4.964 -0.723 -7.515 1.00 0.00 C ATOM 0 H ALA A 40 5.843 -0.110 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 40 3.663 -1.795 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.729 -1.337 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.330 0.164 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.010 -0.421 -7.556 1.00 0.00 H new ATOM 589 N PRO A 41 4.887 -3.963 -6.119 1.00 0.00 N ATOM 590 CA PRO A 41 5.570 -5.250 -6.202 1.00 0.00 C ATOM 591 C PRO A 41 5.888 -5.624 -7.649 1.00 0.00 C ATOM 592 O PRO A 41 5.040 -5.491 -8.533 1.00 0.00 O ATOM 593 CB PRO A 41 4.560 -6.220 -5.588 1.00 0.00 C ATOM 594 CG PRO A 41 3.229 -5.600 -5.836 1.00 0.00 C ATOM 595 CD PRO A 41 3.446 -4.111 -5.845 1.00 0.00 C ATOM 0 HA PRO A 41 6.533 -5.253 -5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.628 -7.205 -6.049 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.740 -6.354 -4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.815 -5.937 -6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.518 -5.884 -5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.842 -3.624 -6.611 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.173 -3.662 -4.890 1.00 0.00 H new ATOM 603 N ASN A 42 7.121 -6.066 -7.894 1.00 0.00 N ATOM 604 CA ASN A 42 7.536 -6.451 -9.242 1.00 0.00 C ATOM 605 C ASN A 42 6.892 -7.770 -9.648 1.00 0.00 C ATOM 606 O ASN A 42 6.055 -8.296 -8.923 1.00 0.00 O ATOM 607 CB ASN A 42 9.071 -6.541 -9.361 1.00 0.00 C ATOM 608 CG ASN A 42 9.712 -7.646 -8.547 1.00 0.00 C ATOM 609 OD1 ASN A 42 9.136 -8.677 -8.307 1.00 0.00 O ATOM 610 ND2 ASN A 42 10.917 -7.411 -8.096 1.00 0.00 N ATOM 0 H ASN A 42 7.845 -6.166 -7.183 1.00 0.00 H new ATOM 0 HA ASN A 42 7.196 -5.672 -9.924 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.331 -6.685 -10.410 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.501 -5.588 -9.054 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.393 -8.110 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.381 -6.529 -8.315 1.00 0.00 H new ATOM 617 N ASP A 43 7.294 -8.318 -10.781 1.00 0.00 N ATOM 618 CA ASP A 43 6.711 -9.567 -11.258 1.00 0.00 C ATOM 619 C ASP A 43 7.025 -10.727 -10.317 1.00 0.00 C ATOM 620 O ASP A 43 6.252 -11.678 -10.214 1.00 0.00 O ATOM 621 CB ASP A 43 7.198 -9.895 -12.668 1.00 0.00 C ATOM 622 CG ASP A 43 6.610 -8.969 -13.713 1.00 0.00 C ATOM 623 OD1 ASP A 43 7.150 -7.858 -13.905 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.594 -9.340 -14.341 1.00 0.00 O1- ATOM 0 H ASP A 43 8.015 -7.925 -11.386 1.00 0.00 H new ATOM 0 HA ASP A 43 5.630 -9.429 -11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.286 -9.828 -12.698 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.935 -10.925 -12.910 1.00 0.00 H new ATOM 629 N ASP A 44 8.137 -10.635 -9.598 1.00 0.00 N ATOM 630 CA ASP A 44 8.555 -11.716 -8.715 1.00 0.00 C ATOM 631 C ASP A 44 7.921 -11.516 -7.353 1.00 0.00 C ATOM 632 O ASP A 44 7.774 -12.440 -6.558 1.00 0.00 O ATOM 633 CB ASP A 44 10.072 -11.749 -8.596 1.00 0.00 C ATOM 634 CG ASP A 44 10.574 -13.000 -7.898 1.00 0.00 C ATOM 635 OD1 ASP A 44 10.527 -14.088 -8.511 1.00 0.00 O ATOM 636 OD2 ASP A 44 11.019 -12.905 -6.735 1.00 0.00 O1- ATOM 0 H ASP A 44 8.762 -9.829 -9.609 1.00 0.00 H new ATOM 0 HA ASP A 44 8.229 -12.670 -9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.512 -11.691 -9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.409 -10.870 -8.046 1.00 0.00 H new ATOM 641 N ALA A 45 7.538 -10.280 -7.112 1.00 0.00 N ATOM 642 CA ALA A 45 6.877 -9.890 -5.895 1.00 0.00 C ATOM 643 C ALA A 45 5.387 -10.149 -6.027 1.00 0.00 C ATOM 644 O ALA A 45 4.723 -10.556 -5.085 1.00 0.00 O ATOM 645 CB ALA A 45 7.165 -8.433 -5.605 1.00 0.00 C ATOM 0 H ALA A 45 7.681 -9.512 -7.767 1.00 0.00 H new ATOM 0 HA ALA A 45 7.252 -10.479 -5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.663 -8.140 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.240 -8.289 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.799 -7.819 -6.428 1.00 0.00 H new ATOM 769 N ILE A 54 -0.090 -11.502 1.420 1.00 0.00 N ATOM 770 CA ILE A 54 -1.343 -10.830 1.687 1.00 0.00 C ATOM 771 C ILE A 54 -2.287 -11.694 2.507 1.00 0.00 C ATOM 772 O ILE A 54 -3.125 -11.188 3.249 1.00 0.00 O ATOM 773 CB ILE A 54 -1.982 -10.329 0.382 1.00 0.00 C ATOM 774 CG1 ILE A 54 -1.725 -8.831 0.294 1.00 0.00 C ATOM 775 CG2 ILE A 54 -3.480 -10.618 0.312 1.00 0.00 C ATOM 776 CD1 ILE A 54 -0.273 -8.430 0.288 1.00 0.00 C ATOM 0 HA ILE A 54 -1.131 -9.954 2.300 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.535 -10.858 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.195 -8.450 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.217 -8.344 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.879 -10.243 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.646 -11.693 0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.985 -10.124 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.196 -7.345 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.203 -8.773 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.226 -8.881 -0.570 1.00 0.00 H new ATOM 788 N THR A 55 -2.108 -12.994 2.406 1.00 0.00 N ATOM 789 CA THR A 55 -2.865 -13.922 3.226 1.00 0.00 C ATOM 790 C THR A 55 -2.525 -13.763 4.710 1.00 0.00 C ATOM 791 O THR A 55 -3.404 -13.799 5.550 1.00 0.00 O ATOM 792 CB THR A 55 -2.634 -15.377 2.805 1.00 0.00 C ATOM 793 OG1 THR A 55 -3.109 -15.588 1.467 1.00 0.00 O ATOM 794 CG2 THR A 55 -3.345 -16.319 3.765 1.00 0.00 C ATOM 0 H THR A 55 -1.447 -13.434 1.766 1.00 0.00 H new ATOM 0 HA THR A 55 -3.917 -13.679 3.073 1.00 0.00 H new ATOM 0 HB THR A 55 -1.564 -15.584 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.955 -16.521 1.208 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.174 -17.350 3.456 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.956 -16.173 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.415 -16.110 3.755 1.00 0.00 H new ATOM 802 N SER A 56 -1.257 -13.569 5.028 1.00 0.00 N ATOM 803 CA SER A 56 -0.841 -13.372 6.408 1.00 0.00 C ATOM 804 C SER A 56 -1.116 -11.934 6.811 1.00 0.00 C ATOM 805 O SER A 56 -1.407 -11.624 7.966 1.00 0.00 O ATOM 806 CB SER A 56 0.647 -13.707 6.559 1.00 0.00 C ATOM 807 OG SER A 56 1.091 -13.538 7.897 1.00 0.00 O ATOM 0 H SER A 56 -0.496 -13.543 4.349 1.00 0.00 H new ATOM 0 HA SER A 56 -1.405 -14.036 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.822 -14.736 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.233 -13.068 5.898 1.00 0.00 H new ATOM 0 HG SER A 56 2.043 -13.762 7.956 1.00 0.00 H new ATOM 813 N LEU A 57 -1.053 -11.077 5.819 1.00 0.00 N ATOM 814 CA LEU A 57 -1.311 -9.656 5.982 1.00 0.00 C ATOM 815 C LEU A 57 -2.789 -9.390 6.244 1.00 0.00 C ATOM 816 O LEU A 57 -3.139 -8.382 6.850 1.00 0.00 O ATOM 817 CB LEU A 57 -0.868 -8.919 4.737 1.00 0.00 C ATOM 818 CG LEU A 57 0.522 -8.286 4.778 1.00 0.00 C ATOM 819 CD1 LEU A 57 1.585 -9.317 5.130 1.00 0.00 C ATOM 820 CD2 LEU A 57 0.830 -7.623 3.433 1.00 0.00 C ATOM 0 H LEU A 57 -0.819 -11.345 4.863 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.747 -9.299 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.901 -9.615 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.595 -8.134 4.529 1.00 0.00 H new ATOM 0 HG LEU A 57 0.534 -7.524 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.564 -8.838 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.368 -9.744 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.586 -10.109 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.822 -7.173 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.799 -8.373 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.088 -6.850 3.230 1.00 0.00 H new ATOM 832 N VAL A 58 -3.661 -10.286 5.780 1.00 0.00 N ATOM 833 CA VAL A 58 -5.087 -10.131 6.034 1.00 0.00 C ATOM 834 C VAL A 58 -5.414 -10.611 7.440 1.00 0.00 C ATOM 835 O VAL A 58 -6.351 -10.127 8.077 1.00 0.00 O ATOM 836 CB VAL A 58 -5.957 -10.898 5.014 1.00 0.00 C ATOM 837 CG1 VAL A 58 -5.865 -12.399 5.244 1.00 0.00 C ATOM 838 CG2 VAL A 58 -7.400 -10.420 5.083 1.00 0.00 C ATOM 0 H VAL A 58 -3.408 -11.111 5.236 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.319 -9.071 5.931 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.578 -10.692 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.486 -12.918 4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.830 -12.721 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.213 -12.635 6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.000 -10.970 4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.793 -10.592 6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.442 -9.355 4.855 1.00 0.00 H new ATOM 848 N GLN A 59 -4.619 -11.566 7.916 1.00 0.00 N ATOM 849 CA GLN A 59 -4.755 -12.071 9.269 1.00 0.00 C ATOM 850 C GLN A 59 -4.294 -10.993 10.235 1.00 0.00 C ATOM 851 O GLN A 59 -4.682 -10.937 11.403 1.00 0.00 O ATOM 852 CB GLN A 59 -3.885 -13.306 9.425 1.00 0.00 C ATOM 853 CG GLN A 59 -4.007 -14.252 8.253 1.00 0.00 C ATOM 854 CD GLN A 59 -5.129 -15.256 8.384 1.00 0.00 C ATOM 855 OE1 GLN A 59 -5.520 -15.642 9.487 1.00 0.00 O ATOM 856 NE2 GLN A 59 -5.643 -15.695 7.248 1.00 0.00 N ATOM 0 H GLN A 59 -3.872 -12.004 7.377 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.793 -12.333 9.477 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.844 -13.002 9.535 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.163 -13.829 10.340 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.159 -13.670 7.344 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.066 -14.789 8.134 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.286 -15.346 6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.396 -16.383 7.261 1.00 0.00 H new ATOM 865 N ASN A 60 -3.434 -10.161 9.692 1.00 0.00 N ATOM 866 CA ASN A 60 -2.860 -9.019 10.349 1.00 0.00 C ATOM 867 C ASN A 60 -3.852 -7.852 10.404 1.00 0.00 C ATOM 868 O ASN A 60 -4.930 -7.934 9.815 1.00 0.00 O ATOM 869 CB ASN A 60 -1.591 -8.625 9.599 1.00 0.00 C ATOM 870 CG ASN A 60 -0.332 -9.141 10.260 1.00 0.00 C ATOM 871 OD1 ASN A 60 0.269 -8.469 11.097 1.00 0.00 O ATOM 872 ND2 ASN A 60 0.078 -10.340 9.890 1.00 0.00 N ATOM 0 H ASN A 60 -3.103 -10.272 8.734 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.617 -9.273 11.381 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.644 -9.008 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.539 -7.539 9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.921 -10.740 10.302 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.448 -10.866 9.192 1.00 0.00 H new ATOM 879 N PRO A 61 -3.533 -6.806 11.194 1.00 0.00 N ATOM 880 CA PRO A 61 -4.315 -5.553 11.287 1.00 0.00 C ATOM 881 C PRO A 61 -4.916 -5.041 9.949 1.00 0.00 C ATOM 882 O PRO A 61 -4.597 -5.548 8.872 1.00 0.00 O ATOM 883 CB PRO A 61 -3.256 -4.576 11.800 1.00 0.00 C ATOM 884 CG PRO A 61 -2.406 -5.391 12.704 1.00 0.00 C ATOM 885 CD PRO A 61 -2.374 -6.775 12.114 1.00 0.00 C ATOM 0 HA PRO A 61 -5.199 -5.682 11.911 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.674 -4.155 10.980 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.711 -3.739 12.330 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.401 -4.974 12.774 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.816 -5.408 13.714 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.440 -6.960 11.584 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.459 -7.539 12.887 1.00 0.00 H new ATOM 893 N PRO A 62 -5.817 -4.022 10.046 1.00 0.00 N ATOM 894 CA PRO A 62 -6.653 -3.461 8.939 1.00 0.00 C ATOM 895 C PRO A 62 -6.003 -3.278 7.553 1.00 0.00 C ATOM 896 O PRO A 62 -6.708 -2.951 6.595 1.00 0.00 O ATOM 897 CB PRO A 62 -7.049 -2.103 9.486 1.00 0.00 C ATOM 898 CG PRO A 62 -7.171 -2.316 10.947 1.00 0.00 C ATOM 899 CD PRO A 62 -6.103 -3.305 11.311 1.00 0.00 C ATOM 0 HA PRO A 62 -7.450 -4.170 8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.298 -1.347 9.256 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.989 -1.760 9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.038 -1.380 11.490 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.159 -2.696 11.205 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.213 -2.806 11.694 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.444 -3.990 12.087 1.00 0.00 H new ATOM 907 N GLN A 63 -4.691 -3.454 7.450 1.00 0.00 N ATOM 908 CA GLN A 63 -3.939 -3.303 6.194 1.00 0.00 C ATOM 909 C GLN A 63 -4.629 -3.921 4.968 1.00 0.00 C ATOM 910 O GLN A 63 -4.322 -3.538 3.834 1.00 0.00 O ATOM 911 CB GLN A 63 -2.566 -3.910 6.351 1.00 0.00 C ATOM 912 CG GLN A 63 -1.658 -3.531 5.208 1.00 0.00 C ATOM 913 CD GLN A 63 -0.738 -4.628 4.831 1.00 0.00 C ATOM 914 OE1 GLN A 63 -1.308 -5.790 4.682 1.00 0.00 O flip ATOM 915 NE2 GLN A 63 0.442 -4.416 4.561 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.104 -3.710 8.244 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.879 -2.231 6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.126 -3.578 7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.651 -4.995 6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.262 -3.254 4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.076 -2.652 5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.837 -3.486 4.697 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.026 -5.170 4.201 1.00 0.00 H new ATOM 924 N LEU A 64 -5.548 -4.855 5.188 1.00 0.00 N ATOM 925 CA LEU A 64 -6.348 -5.428 4.116 1.00 0.00 C ATOM 926 C LEU A 64 -6.911 -4.336 3.206 1.00 0.00 C ATOM 927 O LEU A 64 -6.743 -4.390 1.989 1.00 0.00 O ATOM 928 CB LEU A 64 -7.504 -6.241 4.700 1.00 0.00 C ATOM 929 CG LEU A 64 -8.609 -6.546 3.700 1.00 0.00 C ATOM 930 CD1 LEU A 64 -8.180 -7.639 2.733 1.00 0.00 C ATOM 931 CD2 LEU A 64 -9.910 -6.914 4.396 1.00 0.00 C ATOM 0 H LEU A 64 -5.758 -5.234 6.112 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.701 -6.077 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.113 -7.180 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.930 -5.696 5.542 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.792 -5.637 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.987 -7.839 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.294 -7.315 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.951 -8.548 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.675 -7.125 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.754 -7.797 5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.234 -6.084 5.023 1.00 0.00 H new ATOM 943 N GLY A 65 -7.547 -3.338 3.818 1.00 0.00 N ATOM 944 CA GLY A 65 -8.191 -2.260 3.071 1.00 0.00 C ATOM 945 C GLY A 65 -7.265 -1.583 2.077 1.00 0.00 C ATOM 946 O GLY A 65 -7.695 -1.134 1.015 1.00 0.00 O ATOM 0 H GLY A 65 -7.630 -3.254 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.054 -2.661 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.567 -1.515 3.772 1.00 0.00 H new ATOM 950 N ARG A 66 -5.993 -1.522 2.430 1.00 0.00 N ATOM 951 CA ARG A 66 -4.976 -0.927 1.588 1.00 0.00 C ATOM 952 C ARG A 66 -4.701 -1.836 0.406 1.00 0.00 C ATOM 953 O ARG A 66 -4.723 -1.414 -0.748 1.00 0.00 O ATOM 954 CB ARG A 66 -3.726 -0.690 2.445 1.00 0.00 C ATOM 955 CG ARG A 66 -2.402 -0.753 1.708 1.00 0.00 C ATOM 956 CD ARG A 66 -1.737 -2.116 1.849 1.00 0.00 C ATOM 957 NE ARG A 66 -0.369 -2.111 1.320 1.00 0.00 N ATOM 958 CZ ARG A 66 0.170 -3.102 0.604 1.00 0.00 C ATOM 959 NH1 ARG A 66 -0.538 -4.186 0.315 1.00 0.00 N1+ ATOM 960 NH2 ARG A 66 1.421 -3.006 0.170 1.00 0.00 N ATOM 0 H ARG A 66 -5.637 -1.886 3.314 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.305 0.031 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.812 0.289 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.711 -1.430 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.564 -0.536 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.735 0.018 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.719 -2.405 2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.328 -2.865 1.322 1.00 0.00 H new ATOM 0 HE ARG A 66 0.211 -1.294 1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.501 -4.267 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.119 -4.938 -0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.972 -2.175 0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.831 -3.764 -0.376 1.00 0.00 H new ATOM 974 N ILE A 67 -4.448 -3.085 0.739 1.00 0.00 N ATOM 975 CA ILE A 67 -4.235 -4.162 -0.218 1.00 0.00 C ATOM 976 C ILE A 67 -5.244 -4.159 -1.370 1.00 0.00 C ATOM 977 O ILE A 67 -4.844 -4.135 -2.532 1.00 0.00 O ATOM 978 CB ILE A 67 -4.320 -5.515 0.513 1.00 0.00 C ATOM 979 CG1 ILE A 67 -3.326 -5.525 1.676 1.00 0.00 C ATOM 980 CG2 ILE A 67 -4.062 -6.665 -0.451 1.00 0.00 C ATOM 981 CD1 ILE A 67 -3.500 -6.673 2.642 1.00 0.00 C ATOM 0 H ILE A 67 -4.382 -3.392 1.709 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.248 -4.005 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.325 -5.649 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.314 -5.558 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.420 -4.588 2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.127 -7.611 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.807 -6.647 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.067 -6.561 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.754 -6.599 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.497 -6.632 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.375 -7.617 2.112 1.00 0.00 H new ATOM 993 N LEU A 68 -6.537 -4.161 -1.034 1.00 0.00 N ATOM 994 CA LEU A 68 -7.600 -4.416 -2.018 1.00 0.00 C ATOM 995 C LEU A 68 -7.449 -3.624 -3.312 1.00 0.00 C ATOM 996 O LEU A 68 -7.253 -4.206 -4.380 1.00 0.00 O ATOM 997 CB LEU A 68 -8.984 -4.105 -1.439 1.00 0.00 C ATOM 998 CG LEU A 68 -9.597 -5.160 -0.522 1.00 0.00 C ATOM 999 CD1 LEU A 68 -8.929 -6.508 -0.716 1.00 0.00 C ATOM 1000 CD2 LEU A 68 -9.528 -4.715 0.927 1.00 0.00 C ATOM 0 H LEU A 68 -6.876 -3.989 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.504 -5.476 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.918 -3.169 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.670 -3.936 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.647 -5.273 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.386 -7.240 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.054 -6.830 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.866 -6.424 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.970 -5.481 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.487 -4.563 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.077 -3.781 1.047 1.00 0.00 H new ATOM 1012 N LYS A 69 -7.533 -2.306 -3.226 1.00 0.00 N ATOM 1013 CA LYS A 69 -7.647 -1.499 -4.431 1.00 0.00 C ATOM 1014 C LYS A 69 -6.296 -1.113 -5.021 1.00 0.00 C ATOM 1015 O LYS A 69 -5.980 -1.486 -6.150 1.00 0.00 O ATOM 1016 CB LYS A 69 -8.469 -0.237 -4.158 1.00 0.00 C ATOM 1017 CG LYS A 69 -9.943 -0.503 -3.881 1.00 0.00 C ATOM 1018 CD LYS A 69 -10.583 -1.320 -4.996 1.00 0.00 C ATOM 1019 CE LYS A 69 -12.102 -1.257 -4.946 1.00 0.00 C ATOM 1020 NZ LYS A 69 -12.608 0.118 -5.205 1.00 0.00 N1+ ATOM 0 H LYS A 69 -7.525 -1.780 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.156 -2.121 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.039 0.286 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.386 0.430 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.046 -1.034 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.471 0.445 -3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.236 -0.951 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.260 -2.358 -4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.518 -1.942 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.448 -1.593 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.595 0.069 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.558 0.677 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.025 0.570 -5.938 1.00 0.00 H new ATOM 1034 N TYR A 70 -5.496 -0.368 -4.273 1.00 0.00 N ATOM 1035 CA TYR A 70 -4.280 0.192 -4.845 1.00 0.00 C ATOM 1036 C TYR A 70 -3.023 -0.224 -4.095 1.00 0.00 C ATOM 1037 O TYR A 70 -1.924 0.158 -4.487 1.00 0.00 O ATOM 1038 CB TYR A 70 -4.365 1.717 -4.880 1.00 0.00 C ATOM 1039 CG TYR A 70 -5.612 2.254 -5.548 1.00 0.00 C ATOM 1040 CD1 TYR A 70 -5.882 1.988 -6.884 1.00 0.00 C ATOM 1041 CD2 TYR A 70 -6.523 3.023 -4.835 1.00 0.00 C ATOM 1042 CE1 TYR A 70 -7.023 2.475 -7.491 1.00 0.00 C ATOM 1043 CE2 TYR A 70 -7.666 3.514 -5.435 1.00 0.00 C ATOM 1044 CZ TYR A 70 -7.910 3.237 -6.762 1.00 0.00 C ATOM 1045 OH TYR A 70 -9.048 3.725 -7.362 1.00 0.00 O ATOM 0 H TYR A 70 -5.660 -0.141 -3.292 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.204 -0.207 -5.857 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.322 2.096 -3.859 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.491 2.106 -5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.189 1.391 -7.458 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.334 3.241 -3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.219 2.260 -8.531 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.364 4.111 -4.867 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.332 3.112 -8.072 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.192 -1.013 -3.024 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.096 -1.347 -2.100 1.00 0.00 C ATOM 1057 C HIS A 71 -1.263 -0.102 -1.798 1.00 0.00 C ATOM 1058 O HIS A 71 -0.034 -0.108 -1.881 1.00 0.00 O ATOM 1059 CB HIS A 71 -1.226 -2.531 -2.597 1.00 0.00 C ATOM 1060 CG HIS A 71 -0.750 -2.463 -4.022 1.00 0.00 C ATOM 1061 ND1 HIS A 71 0.474 -1.946 -4.392 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -1.337 -2.885 -5.170 1.00 0.00 C ATOM 1063 CE1 HIS A 71 0.615 -2.051 -5.701 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -0.467 -2.618 -6.195 1.00 0.00 N ATOM 0 H HIS A 71 -4.086 -1.436 -2.774 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.545 -1.692 -1.169 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.353 -2.608 -1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.798 -3.450 -2.472 1.00 0.00 H new ATOM 0 HD1 HIS A 71 1.162 -1.545 -3.755 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.310 -3.346 -5.260 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.473 -1.727 -6.271 1.00 0.00 H new ATOM 1073 N VAL A 72 -1.973 0.951 -1.399 1.00 0.00 N ATOM 1074 CA VAL A 72 -1.423 2.295 -1.328 1.00 0.00 C ATOM 1075 C VAL A 72 -1.505 2.872 0.089 1.00 0.00 C ATOM 1076 O VAL A 72 -2.288 2.409 0.921 1.00 0.00 O ATOM 1077 CB VAL A 72 -2.202 3.219 -2.297 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -3.649 3.375 -1.848 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -1.543 4.580 -2.435 1.00 0.00 C ATOM 0 H VAL A 72 -2.951 0.891 -1.115 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.371 2.240 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.186 2.743 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.177 4.028 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.132 2.398 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.675 3.811 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.121 5.196 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.503 5.065 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.531 4.457 -2.821 1.00 0.00 H new ATOM 1089 N VAL A 73 -0.674 3.867 0.347 1.00 0.00 N ATOM 1090 CA VAL A 73 -0.747 4.664 1.559 1.00 0.00 C ATOM 1091 C VAL A 73 -0.729 6.149 1.202 1.00 0.00 C ATOM 1092 O VAL A 73 0.111 6.597 0.431 1.00 0.00 O ATOM 1093 CB VAL A 73 0.414 4.347 2.535 1.00 0.00 C ATOM 1094 CG1 VAL A 73 1.742 4.215 1.805 1.00 0.00 C ATOM 1095 CG2 VAL A 73 0.521 5.429 3.584 1.00 0.00 C ATOM 0 H VAL A 73 0.077 4.147 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.680 4.412 2.063 1.00 0.00 H new ATOM 0 HB VAL A 73 0.191 3.392 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.531 3.993 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.677 3.408 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.970 5.150 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.340 5.196 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.712 6.387 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.412 5.486 4.145 1.00 0.00 H new ATOM 1105 N ALA A 74 -1.674 6.903 1.745 1.00 0.00 N ATOM 1106 CA ALA A 74 -1.741 8.340 1.506 1.00 0.00 C ATOM 1107 C ALA A 74 -0.533 9.046 2.080 1.00 0.00 C ATOM 1108 O ALA A 74 -0.003 8.660 3.120 1.00 0.00 O ATOM 1109 CB ALA A 74 -2.998 8.910 2.120 1.00 0.00 C ATOM 0 H ALA A 74 -2.407 6.544 2.356 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.755 8.500 0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.038 9.984 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.870 8.432 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.994 8.726 3.194 1.00 0.00 H new ATOM 1115 N GLY A 75 -0.121 10.095 1.403 1.00 0.00 N ATOM 1116 CA GLY A 75 1.073 10.794 1.791 1.00 0.00 C ATOM 1117 C GLY A 75 2.210 10.474 0.855 1.00 0.00 C ATOM 1118 O GLY A 75 2.814 9.421 0.956 1.00 0.00 O ATOM 0 H GLY A 75 -0.596 10.478 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.887 11.868 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.346 10.518 2.810 1.00 0.00 H new ATOM 1122 N ALA A 76 2.456 11.363 -0.088 1.00 0.00 N ATOM 1123 CA ALA A 76 3.520 11.199 -1.070 1.00 0.00 C ATOM 1124 C ALA A 76 4.889 11.185 -0.411 1.00 0.00 C ATOM 1125 O ALA A 76 5.438 12.230 -0.060 1.00 0.00 O ATOM 1126 CB ALA A 76 3.455 12.309 -2.102 1.00 0.00 C ATOM 0 H ALA A 76 1.923 12.225 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 76 3.373 10.238 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.255 12.176 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.492 12.277 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.572 13.273 -1.607 1.00 0.00 H new ATOM 1132 N TYR A 77 5.438 9.999 -0.265 1.00 0.00 N ATOM 1133 CA TYR A 77 6.758 9.842 0.336 1.00 0.00 C ATOM 1134 C TYR A 77 7.748 9.346 -0.701 1.00 0.00 C ATOM 1135 O TYR A 77 7.491 8.359 -1.386 1.00 0.00 O ATOM 1136 CB TYR A 77 6.762 8.838 1.492 1.00 0.00 C ATOM 1137 CG TYR A 77 5.543 8.846 2.387 1.00 0.00 C ATOM 1138 CD1 TYR A 77 5.173 9.976 3.105 1.00 0.00 C ATOM 1139 CD2 TYR A 77 4.770 7.697 2.524 1.00 0.00 C ATOM 1140 CE1 TYR A 77 4.062 9.962 3.929 1.00 0.00 C ATOM 1141 CE2 TYR A 77 3.662 7.673 3.346 1.00 0.00 C ATOM 1142 CZ TYR A 77 3.313 8.808 4.049 1.00 0.00 C ATOM 1143 OH TYR A 77 2.207 8.791 4.868 1.00 0.00 O ATOM 0 H TYR A 77 4.997 9.125 -0.552 1.00 0.00 H new ATOM 0 HA TYR A 77 7.038 10.824 0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.875 7.837 1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.641 9.028 2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.761 10.878 3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.043 6.807 1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.782 10.850 4.476 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.072 6.773 3.438 1.00 0.00 H new ATOM 0 HH TYR A 77 1.395 8.747 4.321 1.00 0.00 H new ATOM 1153 N LYS A 78 8.882 10.015 -0.814 1.00 0.00 N ATOM 1154 CA LYS A 78 9.945 9.523 -1.668 1.00 0.00 C ATOM 1155 C LYS A 78 10.875 8.660 -0.841 1.00 0.00 C ATOM 1156 O LYS A 78 10.850 8.764 0.382 1.00 0.00 O ATOM 1157 CB LYS A 78 10.705 10.658 -2.357 1.00 0.00 C ATOM 1158 CG LYS A 78 9.828 11.466 -3.296 1.00 0.00 C ATOM 1159 CD LYS A 78 9.100 12.564 -2.556 1.00 0.00 C ATOM 1160 CE LYS A 78 7.628 12.538 -2.894 1.00 0.00 C ATOM 1161 NZ LYS A 78 6.876 13.653 -2.252 1.00 0.00 N1+ ATOM 0 H LYS A 78 9.088 10.890 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 78 9.505 8.926 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.126 11.320 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.542 10.241 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.441 11.901 -4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.105 10.808 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.236 12.439 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.524 13.533 -2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.506 12.597 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.202 11.586 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.309 13.281 -1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.546 14.362 -1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.247 14.096 -2.952 1.00 0.00 H new ATOM 1175 N ALA A 79 11.676 7.814 -1.483 1.00 0.00 N ATOM 1176 CA ALA A 79 12.493 6.822 -0.769 1.00 0.00 C ATOM 1177 C ALA A 79 13.268 7.445 0.390 1.00 0.00 C ATOM 1178 O ALA A 79 13.476 6.817 1.432 1.00 0.00 O ATOM 1179 CB ALA A 79 13.452 6.142 -1.733 1.00 0.00 C ATOM 0 H ALA A 79 11.781 7.791 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 79 11.814 6.081 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.052 5.409 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.885 5.640 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.108 6.889 -2.181 1.00 0.00 H new ATOM 1185 N THR A 80 13.634 8.702 0.219 1.00 0.00 N ATOM 1186 CA THR A 80 14.461 9.402 1.187 1.00 0.00 C ATOM 1187 C THR A 80 13.672 9.729 2.457 1.00 0.00 C ATOM 1188 O THR A 80 14.242 9.819 3.539 1.00 0.00 O ATOM 1189 CB THR A 80 15.059 10.696 0.584 1.00 0.00 C ATOM 1190 OG1 THR A 80 15.930 11.334 1.529 1.00 0.00 O ATOM 1191 CG2 THR A 80 13.963 11.667 0.164 1.00 0.00 C ATOM 0 H THR A 80 13.369 9.265 -0.589 1.00 0.00 H new ATOM 0 HA THR A 80 15.281 8.735 1.452 1.00 0.00 H new ATOM 0 HB THR A 80 15.630 10.414 -0.301 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.301 12.150 1.133 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.415 12.566 -0.256 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.328 11.196 -0.586 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.362 11.935 1.033 1.00 0.00 H new ATOM 1199 N ASP A 81 12.356 9.870 2.326 1.00 0.00 N ATOM 1200 CA ASP A 81 11.508 10.195 3.465 1.00 0.00 C ATOM 1201 C ASP A 81 11.313 8.955 4.319 1.00 0.00 C ATOM 1202 O ASP A 81 11.523 8.975 5.532 1.00 0.00 O ATOM 1203 CB ASP A 81 10.152 10.723 2.984 1.00 0.00 C ATOM 1204 CG ASP A 81 9.247 11.152 4.123 1.00 0.00 C ATOM 1205 OD1 ASP A 81 9.310 12.335 4.523 1.00 0.00 O ATOM 1206 OD2 ASP A 81 8.460 10.321 4.615 1.00 0.00 O1- ATOM 0 H ASP A 81 11.856 9.764 1.443 1.00 0.00 H new ATOM 0 HA ASP A 81 11.989 10.971 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.314 11.570 2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.652 9.949 2.402 1.00 0.00 H new ATOM 1211 N LEU A 82 10.930 7.873 3.656 1.00 0.00 N ATOM 1212 CA LEU A 82 10.742 6.584 4.291 1.00 0.00 C ATOM 1213 C LEU A 82 11.980 6.139 5.059 1.00 0.00 C ATOM 1214 O LEU A 82 11.898 5.769 6.228 1.00 0.00 O ATOM 1215 CB LEU A 82 10.393 5.555 3.218 1.00 0.00 C ATOM 1216 CG LEU A 82 9.040 5.768 2.532 1.00 0.00 C ATOM 1217 CD1 LEU A 82 8.130 6.651 3.373 1.00 0.00 C ATOM 1218 CD2 LEU A 82 9.225 6.341 1.140 1.00 0.00 C ATOM 0 H LEU A 82 10.740 7.869 2.654 1.00 0.00 H new ATOM 0 HA LEU A 82 9.931 6.671 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.174 5.566 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.402 4.563 3.670 1.00 0.00 H new ATOM 0 HG LEU A 82 8.557 4.796 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.177 6.784 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.959 6.180 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.601 7.623 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.251 6.484 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.739 7.300 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.818 5.652 0.539 1.00 0.00 H new ATOM 1230 N LYS A 83 13.122 6.184 4.397 1.00 0.00 N ATOM 1231 CA LYS A 83 14.371 5.736 4.994 1.00 0.00 C ATOM 1232 C LYS A 83 14.821 6.658 6.120 1.00 0.00 C ATOM 1233 O LYS A 83 15.379 6.199 7.117 1.00 0.00 O ATOM 1234 CB LYS A 83 15.446 5.659 3.926 1.00 0.00 C ATOM 1235 CG LYS A 83 16.750 5.066 4.414 1.00 0.00 C ATOM 1236 CD LYS A 83 17.735 4.908 3.272 1.00 0.00 C ATOM 1237 CE LYS A 83 19.084 4.406 3.755 1.00 0.00 C ATOM 1238 NZ LYS A 83 19.756 5.385 4.651 1.00 0.00 N1+ ATOM 0 H LYS A 83 13.212 6.528 3.441 1.00 0.00 H new ATOM 0 HA LYS A 83 14.204 4.748 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.075 5.062 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 83 15.635 6.661 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.180 5.707 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 83 16.563 4.096 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.330 4.212 2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.863 5.866 2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 83 18.951 3.462 4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.724 4.203 2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.751 5.111 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.710 6.333 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.277 5.396 5.574 1.00 0.00 H new ATOM 1252 N ARG A 84 14.575 7.952 5.957 1.00 0.00 N ATOM 1253 CA ARG A 84 14.901 8.934 6.974 1.00 0.00 C ATOM 1254 C ARG A 84 14.219 8.578 8.280 1.00 0.00 C ATOM 1255 O ARG A 84 14.788 8.714 9.364 1.00 0.00 O ATOM 1256 CB ARG A 84 14.437 10.297 6.511 1.00 0.00 C ATOM 1257 CG ARG A 84 15.537 11.337 6.524 1.00 0.00 C ATOM 1258 CD ARG A 84 15.429 12.258 5.330 1.00 0.00 C ATOM 1259 NE ARG A 84 16.440 13.315 5.351 1.00 0.00 N ATOM 1260 CZ ARG A 84 16.779 14.038 4.284 1.00 0.00 C ATOM 1261 NH1 ARG A 84 16.193 13.818 3.113 1.00 0.00 N1+ ATOM 1262 NH2 ARG A 84 17.706 14.983 4.386 1.00 0.00 N ATOM 0 H ARG A 84 14.146 8.345 5.119 1.00 0.00 H new ATOM 0 HA ARG A 84 15.979 8.946 7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.037 10.214 5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.621 10.633 7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.480 11.920 7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.509 10.843 6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.534 11.676 4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.436 12.708 5.310 1.00 0.00 H new ATOM 0 HE ARG A 84 16.913 13.510 6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.480 13.093 3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.455 14.374 2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.160 15.157 5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.964 15.535 3.568 1.00 0.00 H new ATOM 1276 N MET A 85 12.989 8.115 8.152 1.00 0.00 N ATOM 1277 CA MET A 85 12.208 7.678 9.299 1.00 0.00 C ATOM 1278 C MET A 85 12.599 6.273 9.717 1.00 0.00 C ATOM 1279 O MET A 85 12.596 5.937 10.899 1.00 0.00 O ATOM 1280 CB MET A 85 10.719 7.708 8.976 1.00 0.00 C ATOM 1281 CG MET A 85 10.188 9.098 8.714 1.00 0.00 C ATOM 1282 SD MET A 85 8.431 9.118 8.307 1.00 0.00 S ATOM 1283 CE MET A 85 7.730 8.311 9.747 1.00 0.00 C ATOM 0 H MET A 85 12.505 8.031 7.258 1.00 0.00 H new ATOM 0 HA MET A 85 12.415 8.364 10.120 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.532 7.085 8.101 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.166 7.267 9.805 1.00 0.00 H new ATOM 0 HG2 MET A 85 10.358 9.718 9.595 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.750 9.547 7.895 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.667 8.542 9.812 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.863 7.233 9.660 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.234 8.667 10.645 1.00 0.00 H new ATOM 1293 N GLY A 86 12.925 5.455 8.728 1.00 0.00 N ATOM 1294 CA GLY A 86 13.295 4.078 8.994 1.00 0.00 C ATOM 1295 C GLY A 86 12.085 3.193 9.191 1.00 0.00 C ATOM 1296 O GLY A 86 12.198 2.054 9.641 1.00 0.00 O ATOM 0 H GLY A 86 12.940 5.720 7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.892 3.697 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.923 4.037 9.884 1.00 0.00 H new ATOM 1300 N ILE A 87 10.928 3.727 8.853 1.00 0.00 N ATOM 1301 CA ILE A 87 9.671 3.038 8.994 1.00 0.00 C ATOM 1302 C ILE A 87 8.626 3.745 8.140 1.00 0.00 C ATOM 1303 O ILE A 87 8.782 4.918 7.795 1.00 0.00 O ATOM 1304 CB ILE A 87 9.227 2.987 10.473 1.00 0.00 C ATOM 1305 CG1 ILE A 87 8.413 1.724 10.762 1.00 0.00 C ATOM 1306 CG2 ILE A 87 8.402 4.211 10.797 1.00 0.00 C ATOM 1307 CD1 ILE A 87 8.331 1.374 12.228 1.00 0.00 C ATOM 0 H ILE A 87 10.839 4.667 8.467 1.00 0.00 H new ATOM 0 HA ILE A 87 9.785 2.008 8.656 1.00 0.00 H new ATOM 0 HB ILE A 87 10.119 2.967 11.098 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.404 1.857 10.373 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.855 0.887 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.090 4.173 11.841 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.999 5.107 10.629 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.521 4.236 10.155 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.738 0.468 12.353 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.335 1.208 12.619 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.861 2.193 12.772 1.00 0.00 H new ATOM 1319 N VAL A 88 7.593 3.022 7.787 1.00 0.00 N ATOM 1320 CA VAL A 88 6.510 3.545 6.976 1.00 0.00 C ATOM 1321 C VAL A 88 5.173 3.190 7.594 1.00 0.00 C ATOM 1322 O VAL A 88 5.005 2.094 8.109 1.00 0.00 O ATOM 1323 CB VAL A 88 6.588 2.968 5.556 1.00 0.00 C ATOM 1324 CG1 VAL A 88 7.748 3.592 4.819 1.00 0.00 C ATOM 1325 CG2 VAL A 88 6.751 1.457 5.604 1.00 0.00 C ATOM 0 H VAL A 88 7.474 2.045 8.054 1.00 0.00 H new ATOM 0 HA VAL A 88 6.605 4.630 6.929 1.00 0.00 H new ATOM 0 HB VAL A 88 5.661 3.198 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.802 3.181 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.606 4.671 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.675 3.375 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.805 1.064 4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.667 1.207 6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.898 1.015 6.119 1.00 0.00 H new ATOM 1335 N THR A 89 4.227 4.106 7.560 1.00 0.00 N ATOM 1336 CA THR A 89 2.930 3.841 8.146 1.00 0.00 C ATOM 1337 C THR A 89 1.851 3.765 7.077 1.00 0.00 C ATOM 1338 O THR A 89 1.778 4.608 6.188 1.00 0.00 O ATOM 1339 CB THR A 89 2.546 4.906 9.181 1.00 0.00 C ATOM 1340 OG1 THR A 89 3.701 5.288 9.940 1.00 0.00 O ATOM 1341 CG2 THR A 89 1.476 4.360 10.116 1.00 0.00 C ATOM 0 H THR A 89 4.329 5.029 7.138 1.00 0.00 H new ATOM 0 HA THR A 89 3.004 2.877 8.650 1.00 0.00 H new ATOM 0 HB THR A 89 2.154 5.780 8.660 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.449 5.969 10.598 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.209 5.122 10.848 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.593 4.086 9.538 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.859 3.480 10.632 1.00 0.00 H new ATOM 1349 N SER A 90 1.029 2.733 7.177 1.00 0.00 N ATOM 1350 CA SER A 90 -0.071 2.507 6.259 1.00 0.00 C ATOM 1351 C SER A 90 -1.157 3.560 6.442 1.00 0.00 C ATOM 1352 O SER A 90 -1.184 4.255 7.457 1.00 0.00 O ATOM 1353 CB SER A 90 -0.645 1.102 6.500 1.00 0.00 C ATOM 1354 OG SER A 90 -1.887 0.915 5.843 1.00 0.00 O ATOM 0 H SER A 90 1.109 2.023 7.905 1.00 0.00 H new ATOM 0 HA SER A 90 0.298 2.583 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.067 0.355 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.774 0.942 7.570 1.00 0.00 H new ATOM 0 HG SER A 90 -2.140 -0.031 5.884 1.00 0.00 H new ATOM 1360 N LEU A 91 -2.047 3.667 5.461 1.00 0.00 N ATOM 1361 CA LEU A 91 -3.205 4.540 5.556 1.00 0.00 C ATOM 1362 C LEU A 91 -4.011 4.207 6.801 1.00 0.00 C ATOM 1363 O LEU A 91 -4.650 5.070 7.403 1.00 0.00 O ATOM 1364 CB LEU A 91 -4.088 4.356 4.328 1.00 0.00 C ATOM 1365 CG LEU A 91 -4.903 5.577 3.941 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -4.156 6.839 4.278 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -5.212 5.548 2.468 1.00 0.00 C ATOM 0 H LEU A 91 -1.984 3.152 4.583 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.861 5.573 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.458 4.075 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.769 3.524 4.509 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.836 5.560 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.756 7.704 3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.960 6.870 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.211 6.858 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.797 6.428 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.281 5.545 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.782 4.649 2.233 1.00 0.00 H new ATOM 1379 N GLU A 92 -3.963 2.935 7.174 1.00 0.00 N ATOM 1380 CA GLU A 92 -4.708 2.448 8.332 1.00 0.00 C ATOM 1381 C GLU A 92 -3.947 2.755 9.611 1.00 0.00 C ATOM 1382 O GLU A 92 -4.529 2.901 10.684 1.00 0.00 O ATOM 1383 CB GLU A 92 -4.961 0.942 8.213 1.00 0.00 C ATOM 1384 CG GLU A 92 -3.696 0.092 8.245 1.00 0.00 C ATOM 1385 CD GLU A 92 -3.528 -0.669 9.545 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -3.469 -0.029 10.609 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -3.414 -1.907 9.500 1.00 0.00 O1- ATOM 0 H GLU A 92 -3.417 2.220 6.693 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.671 2.958 8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.616 0.630 9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.493 0.747 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.719 -0.616 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.829 0.734 8.092 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.641 2.871 9.470 1.00 0.00 N ATOM 1395 CA GLY A 93 -1.786 3.128 10.611 1.00 0.00 C ATOM 1396 C GLY A 93 -0.855 1.972 10.938 1.00 0.00 C ATOM 1397 O GLY A 93 -0.330 1.891 12.050 1.00 0.00 O ATOM 0 H GLY A 93 -2.150 2.792 8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.191 4.020 10.417 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.407 3.342 11.481 1.00 0.00 H new ATOM 1401 N SER A 94 -0.649 1.068 9.987 1.00 0.00 N ATOM 1402 CA SER A 94 0.294 -0.018 10.181 1.00 0.00 C ATOM 1403 C SER A 94 1.703 0.388 9.758 1.00 0.00 C ATOM 1404 O SER A 94 1.933 0.755 8.610 1.00 0.00 O ATOM 1405 CB SER A 94 -0.163 -1.259 9.414 1.00 0.00 C ATOM 1406 OG SER A 94 -0.908 -2.128 10.252 1.00 0.00 O ATOM 0 H SER A 94 -1.120 1.068 9.082 1.00 0.00 H new ATOM 0 HA SER A 94 0.324 -0.254 11.245 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.772 -0.960 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.705 -1.786 9.017 1.00 0.00 H new ATOM 0 HG SER A 94 -1.748 -2.369 9.809 1.00 0.00 H new ATOM 1412 N THR A 95 2.637 0.314 10.693 1.00 0.00 N ATOM 1413 CA THR A 95 4.024 0.666 10.430 1.00 0.00 C ATOM 1414 C THR A 95 4.858 -0.532 9.961 1.00 0.00 C ATOM 1415 O THR A 95 4.735 -1.639 10.482 1.00 0.00 O ATOM 1416 CB THR A 95 4.672 1.279 11.682 1.00 0.00 C ATOM 1417 OG1 THR A 95 3.817 1.081 12.818 1.00 0.00 O ATOM 1418 CG2 THR A 95 4.930 2.762 11.486 1.00 0.00 C ATOM 0 H THR A 95 2.457 0.010 11.650 1.00 0.00 H new ATOM 0 HA THR A 95 4.010 1.398 9.622 1.00 0.00 H new ATOM 0 HB THR A 95 5.627 0.783 11.854 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.235 1.472 13.614 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.389 3.173 12.385 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.600 2.906 10.638 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.987 3.273 11.294 1.00 0.00 H new ATOM 1426 N ILE A 96 5.699 -0.282 8.963 1.00 0.00 N ATOM 1427 CA ILE A 96 6.617 -1.273 8.423 1.00 0.00 C ATOM 1428 C ILE A 96 8.026 -0.681 8.418 1.00 0.00 C ATOM 1429 O ILE A 96 8.230 0.417 7.914 1.00 0.00 O ATOM 1430 CB ILE A 96 6.225 -1.713 6.984 1.00 0.00 C ATOM 1431 CG1 ILE A 96 5.000 -2.635 6.987 1.00 0.00 C ATOM 1432 CG2 ILE A 96 7.382 -2.403 6.289 1.00 0.00 C ATOM 1433 CD1 ILE A 96 3.675 -1.907 7.083 1.00 0.00 C ATOM 0 H ILE A 96 5.761 0.626 8.502 1.00 0.00 H new ATOM 0 HA ILE A 96 6.573 -2.161 9.053 1.00 0.00 H new ATOM 0 HB ILE A 96 5.971 -0.806 6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.008 -3.234 6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.083 -3.328 7.824 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.079 -2.699 5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.228 -1.719 6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.672 -3.287 6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.861 -2.632 7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.643 -1.330 8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.567 -1.235 6.232 1.00 0.00 H new ATOM 1445 N PRO A 97 9.012 -1.368 9.002 1.00 0.00 N ATOM 1446 CA PRO A 97 10.363 -0.825 9.131 1.00 0.00 C ATOM 1447 C PRO A 97 11.097 -0.737 7.805 1.00 0.00 C ATOM 1448 O PRO A 97 11.127 -1.686 7.015 1.00 0.00 O ATOM 1449 CB PRO A 97 11.083 -1.802 10.064 1.00 0.00 C ATOM 1450 CG PRO A 97 10.052 -2.775 10.536 1.00 0.00 C ATOM 1451 CD PRO A 97 8.902 -2.713 9.573 1.00 0.00 C ATOM 0 HA PRO A 97 10.331 0.197 9.509 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.890 -2.315 9.541 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.533 -1.275 10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.465 -3.783 10.576 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.722 -2.526 11.544 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.978 -3.483 8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.947 -2.859 10.077 1.00 0.00 H new ATOM 1459 N ILE A 98 11.684 0.422 7.580 1.00 0.00 N ATOM 1460 CA ILE A 98 12.476 0.678 6.405 1.00 0.00 C ATOM 1461 C ILE A 98 13.953 0.429 6.667 1.00 0.00 C ATOM 1462 O ILE A 98 14.500 0.814 7.702 1.00 0.00 O ATOM 1463 CB ILE A 98 12.271 2.126 5.923 1.00 0.00 C ATOM 1464 CG1 ILE A 98 10.826 2.322 5.478 1.00 0.00 C ATOM 1465 CG2 ILE A 98 13.230 2.468 4.797 1.00 0.00 C ATOM 1466 CD1 ILE A 98 10.437 1.450 4.309 1.00 0.00 C ATOM 0 H ILE A 98 11.621 1.216 8.217 1.00 0.00 H new ATOM 0 HA ILE A 98 12.144 -0.011 5.628 1.00 0.00 H new ATOM 0 HB ILE A 98 12.482 2.801 6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.163 2.110 6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.675 3.367 5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 98 13.063 3.496 4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.256 2.360 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.060 1.794 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.397 1.640 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.076 1.678 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.556 0.401 4.582 1.00 0.00 H new ATOM 1478 N HIS A 99 14.572 -0.229 5.715 1.00 0.00 N ATOM 1479 CA HIS A 99 16.000 -0.488 5.723 1.00 0.00 C ATOM 1480 C HIS A 99 16.602 0.130 4.470 1.00 0.00 C ATOM 1481 O HIS A 99 15.886 0.753 3.685 1.00 0.00 O ATOM 1482 CB HIS A 99 16.309 -1.984 5.786 1.00 0.00 C ATOM 1483 CG HIS A 99 15.778 -2.678 7.000 1.00 0.00 C ATOM 1484 ND1 HIS A 99 16.465 -2.737 8.192 1.00 0.00 N ATOM 1485 CD2 HIS A 99 14.627 -3.362 7.198 1.00 0.00 C ATOM 1486 CE1 HIS A 99 15.764 -3.430 9.068 1.00 0.00 C ATOM 1487 NE2 HIS A 99 14.644 -3.819 8.490 1.00 0.00 N ATOM 0 H HIS A 99 14.093 -0.607 4.898 1.00 0.00 H new ATOM 0 HA HIS A 99 16.438 -0.042 6.616 1.00 0.00 H new ATOM 0 HB2 HIS A 99 15.896 -2.465 4.899 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.390 -2.120 5.749 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.842 -3.518 6.473 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.057 -3.643 10.085 1.00 0.00 H new ATOM 0 HE2 HIS A 99 13.909 -4.371 8.933 1.00 0.00 H new ATOM 1496 N GLY A 100 17.898 -0.012 4.285 1.00 0.00 N ATOM 1497 CA GLY A 100 18.528 0.578 3.125 1.00 0.00 C ATOM 1498 C GLY A 100 20.032 0.568 3.202 1.00 0.00 C ATOM 1499 O GLY A 100 20.642 1.464 3.784 1.00 0.00 O ATOM 0 H GLY A 100 18.524 -0.520 4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.212 0.038 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.182 1.606 3.014 1.00 0.00 H new ATOM 1503 N ASP A 101 20.621 -0.459 2.627 1.00 0.00 N ATOM 1504 CA ASP A 101 22.072 -0.563 2.528 1.00 0.00 C ATOM 1505 C ASP A 101 22.567 0.290 1.370 1.00 0.00 C ATOM 1506 O ASP A 101 23.501 1.082 1.508 1.00 0.00 O ATOM 1507 CB ASP A 101 22.485 -2.025 2.324 1.00 0.00 C ATOM 1508 CG ASP A 101 23.949 -2.182 1.962 1.00 0.00 C ATOM 1509 OD1 ASP A 101 24.800 -2.208 2.877 1.00 0.00 O ATOM 1510 OD2 ASP A 101 24.257 -2.295 0.757 1.00 0.00 O1- ATOM 0 H ASP A 101 20.116 -1.244 2.215 1.00 0.00 H new ATOM 0 HA ASP A 101 22.520 -0.203 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 101 22.280 -2.585 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 101 21.873 -2.463 1.536 1.00 0.00 H new ATOM 1515 N ASN A 102 21.907 0.122 0.237 1.00 0.00 N ATOM 1516 CA ASN A 102 22.197 0.888 -0.967 1.00 0.00 C ATOM 1517 C ASN A 102 20.892 1.296 -1.655 1.00 0.00 C ATOM 1518 O ASN A 102 20.688 2.476 -1.936 1.00 0.00 O ATOM 1519 CB ASN A 102 23.105 0.103 -1.921 1.00 0.00 C ATOM 1520 CG ASN A 102 24.575 0.425 -1.729 1.00 0.00 C ATOM 1521 OD1 ASN A 102 25.103 1.340 -2.358 1.00 0.00 O ATOM 1522 ND2 ASN A 102 25.250 -0.319 -0.867 1.00 0.00 N ATOM 0 H ASN A 102 21.151 -0.553 0.124 1.00 0.00 H new ATOM 0 HA ASN A 102 22.735 1.791 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.948 -0.965 -1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.821 0.323 -2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 102 26.242 -0.141 -0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 102 24.779 -1.070 -0.363 1.00 0.00 H new ATOM 1529 N PRO A 103 19.980 0.341 -1.947 1.00 0.00 N ATOM 1530 CA PRO A 103 18.630 0.667 -2.378 1.00 0.00 C ATOM 1531 C PRO A 103 17.724 0.837 -1.167 1.00 0.00 C ATOM 1532 O PRO A 103 18.150 0.591 -0.036 1.00 0.00 O ATOM 1533 CB PRO A 103 18.240 -0.569 -3.179 1.00 0.00 C ATOM 1534 CG PRO A 103 18.872 -1.681 -2.435 1.00 0.00 C ATOM 1535 CD PRO A 103 20.172 -1.130 -1.909 1.00 0.00 C ATOM 0 HA PRO A 103 18.553 1.594 -2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 103 17.158 -0.687 -3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.606 -0.514 -4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 103 18.232 -2.021 -1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 103 19.044 -2.539 -3.085 1.00 0.00 H new ATOM 0 HD2 PRO A 103 20.373 -1.480 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 103 21.015 -1.439 -2.527 1.00 0.00 H new ATOM 1543 N LEU A 104 16.496 1.269 -1.381 1.00 0.00 N ATOM 1544 CA LEU A 104 15.552 1.347 -0.288 1.00 0.00 C ATOM 1545 C LEU A 104 15.132 -0.062 0.077 1.00 0.00 C ATOM 1546 O LEU A 104 15.179 -0.968 -0.759 1.00 0.00 O ATOM 1547 CB LEU A 104 14.323 2.175 -0.659 1.00 0.00 C ATOM 1548 CG LEU A 104 13.365 2.474 0.499 1.00 0.00 C ATOM 1549 CD1 LEU A 104 13.912 3.577 1.388 1.00 0.00 C ATOM 1550 CD2 LEU A 104 11.984 2.832 -0.022 1.00 0.00 C ATOM 0 H LEU A 104 16.135 1.567 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 104 16.031 1.840 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.657 3.120 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.772 1.649 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 104 13.275 1.571 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.213 3.769 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.873 3.269 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.044 4.486 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.321 3.040 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.053 3.715 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.586 1.998 -0.600 1.00 0.00 H new ATOM 1562 N GLU A 105 14.722 -0.253 1.307 1.00 0.00 N ATOM 1563 CA GLU A 105 14.357 -1.568 1.776 1.00 0.00 C ATOM 1564 C GLU A 105 13.137 -1.467 2.666 1.00 0.00 C ATOM 1565 O GLU A 105 13.089 -0.670 3.595 1.00 0.00 O ATOM 1566 CB GLU A 105 15.519 -2.218 2.521 1.00 0.00 C ATOM 1567 CG GLU A 105 16.766 -2.404 1.674 1.00 0.00 C ATOM 1568 CD GLU A 105 17.839 -3.199 2.381 1.00 0.00 C ATOM 1569 OE1 GLU A 105 17.592 -4.385 2.683 1.00 0.00 O ATOM 1570 OE2 GLU A 105 18.932 -2.652 2.637 1.00 0.00 O1- ATOM 0 H GLU A 105 14.632 0.487 2.003 1.00 0.00 H new ATOM 0 HA GLU A 105 14.119 -2.198 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.769 -1.607 3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.199 -3.190 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.498 -2.909 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.164 -1.427 1.401 1.00 0.00 H new ATOM 1577 N VAL A 106 12.149 -2.259 2.350 1.00 0.00 N ATOM 1578 CA VAL A 106 10.868 -2.207 3.017 1.00 0.00 C ATOM 1579 C VAL A 106 10.463 -3.602 3.478 1.00 0.00 C ATOM 1580 O VAL A 106 10.401 -4.514 2.663 1.00 0.00 O ATOM 1581 CB VAL A 106 9.837 -1.596 2.039 1.00 0.00 C ATOM 1582 CG1 VAL A 106 10.190 -1.965 0.609 1.00 0.00 C ATOM 1583 CG2 VAL A 106 8.406 -2.011 2.351 1.00 0.00 C ATOM 0 H VAL A 106 12.207 -2.966 1.617 1.00 0.00 H new ATOM 0 HA VAL A 106 10.920 -1.581 3.908 1.00 0.00 H new ATOM 0 HB VAL A 106 9.886 -0.514 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.457 -1.530 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.181 -1.581 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.185 -3.050 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.729 -1.551 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.320 -3.096 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.143 -1.684 3.357 1.00 0.00 H new ATOM 1593 N LYS A 107 10.221 -3.759 4.790 1.00 0.00 N ATOM 1594 CA LYS A 107 9.927 -5.064 5.404 1.00 0.00 C ATOM 1595 C LYS A 107 10.912 -6.138 4.925 1.00 0.00 C ATOM 1596 O LYS A 107 12.123 -5.972 5.070 1.00 0.00 O ATOM 1597 CB LYS A 107 8.443 -5.483 5.216 1.00 0.00 C ATOM 1598 CG LYS A 107 7.936 -5.506 3.779 1.00 0.00 C ATOM 1599 CD LYS A 107 6.417 -5.407 3.703 1.00 0.00 C ATOM 1600 CE LYS A 107 5.728 -6.600 4.346 1.00 0.00 C ATOM 1601 NZ LYS A 107 5.956 -7.860 3.589 1.00 0.00 N1+ ATOM 0 H LYS A 107 10.224 -2.985 5.454 1.00 0.00 H new ATOM 0 HA LYS A 107 10.070 -4.959 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.309 -6.476 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.817 -4.801 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.380 -4.679 3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.263 -6.426 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.090 -4.492 4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.112 -5.333 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.093 -6.721 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.657 -6.407 4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.187 -8.531 3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.976 -7.654 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.864 -8.278 3.876 1.00 0.00 H new ATOM 1615 N ASN A 108 10.408 -7.220 4.358 1.00 0.00 N ATOM 1616 CA ASN A 108 11.252 -8.286 3.833 1.00 0.00 C ATOM 1617 C ASN A 108 11.454 -8.120 2.329 1.00 0.00 C ATOM 1618 O ASN A 108 11.760 -9.077 1.620 1.00 0.00 O ATOM 1619 CB ASN A 108 10.638 -9.663 4.147 1.00 0.00 C ATOM 1620 CG ASN A 108 9.184 -9.799 3.705 1.00 0.00 C ATOM 1621 OD1 ASN A 108 8.435 -8.823 3.659 1.00 0.00 O ATOM 1622 ND2 ASN A 108 8.767 -11.014 3.394 1.00 0.00 N ATOM 0 H ASN A 108 9.408 -7.387 4.247 1.00 0.00 H new ATOM 0 HA ASN A 108 12.226 -8.224 4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.231 -10.436 3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.701 -9.843 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 108 7.800 -11.163 3.106 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.412 -11.803 3.442 1.00 0.00 H new ATOM 1629 N ALA A 109 11.296 -6.893 1.853 1.00 0.00 N ATOM 1630 CA ALA A 109 11.414 -6.592 0.436 1.00 0.00 C ATOM 1631 C ALA A 109 12.545 -5.603 0.172 1.00 0.00 C ATOM 1632 O ALA A 109 13.050 -4.951 1.088 1.00 0.00 O ATOM 1633 CB ALA A 109 10.091 -6.046 -0.095 1.00 0.00 C ATOM 0 H ALA A 109 11.084 -6.083 2.436 1.00 0.00 H new ATOM 0 HA ALA A 109 11.653 -7.517 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.189 -5.823 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.307 -6.789 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.831 -5.135 0.444 1.00 0.00 H new ATOM 1639 N THR A 110 12.921 -5.485 -1.091 1.00 0.00 N ATOM 1640 CA THR A 110 13.975 -4.599 -1.504 1.00 0.00 C ATOM 1641 C THR A 110 13.448 -3.740 -2.630 1.00 0.00 C ATOM 1642 O THR A 110 12.722 -4.224 -3.499 1.00 0.00 O ATOM 1643 CB THR A 110 15.225 -5.364 -1.985 1.00 0.00 C ATOM 1644 OG1 THR A 110 15.628 -6.326 -0.997 1.00 0.00 O ATOM 1645 CG2 THR A 110 16.377 -4.402 -2.249 1.00 0.00 C ATOM 0 H THR A 110 12.495 -6.008 -1.856 1.00 0.00 H new ATOM 0 HA THR A 110 14.277 -3.995 -0.649 1.00 0.00 H new ATOM 0 HB THR A 110 14.971 -5.878 -2.912 1.00 0.00 H new ATOM 0 HG1 THR A 110 16.421 -6.807 -1.313 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.249 -4.962 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 110 16.085 -3.687 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.623 -3.868 -1.331 1.00 0.00 H new ATOM 1653 N VAL A 111 13.772 -2.473 -2.595 1.00 0.00 N ATOM 1654 CA VAL A 111 13.256 -1.542 -3.570 1.00 0.00 C ATOM 1655 C VAL A 111 14.114 -1.509 -4.824 1.00 0.00 C ATOM 1656 O VAL A 111 15.332 -1.330 -4.761 1.00 0.00 O ATOM 1657 CB VAL A 111 13.149 -0.151 -2.954 1.00 0.00 C ATOM 1658 CG1 VAL A 111 12.660 0.874 -3.965 1.00 0.00 C ATOM 1659 CG2 VAL A 111 12.234 -0.219 -1.758 1.00 0.00 C ATOM 0 H VAL A 111 14.393 -2.059 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 111 12.263 -1.879 -3.866 1.00 0.00 H new ATOM 0 HB VAL A 111 14.139 0.176 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.597 1.853 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 111 13.357 0.922 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.675 0.584 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.149 0.770 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.248 -0.560 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.642 -0.916 -1.027 1.00 0.00 H new ATOM 1669 N LEU A 112 13.460 -1.703 -5.958 1.00 0.00 N ATOM 1670 CA LEU A 112 14.115 -1.674 -7.245 1.00 0.00 C ATOM 1671 C LEU A 112 14.104 -0.263 -7.789 1.00 0.00 C ATOM 1672 O LEU A 112 15.067 0.184 -8.410 1.00 0.00 O ATOM 1673 CB LEU A 112 13.413 -2.603 -8.239 1.00 0.00 C ATOM 1674 CG LEU A 112 13.542 -4.094 -7.960 1.00 0.00 C ATOM 1675 CD1 LEU A 112 12.605 -4.463 -6.840 1.00 0.00 C ATOM 1676 CD2 LEU A 112 13.236 -4.904 -9.208 1.00 0.00 C ATOM 0 H LEU A 112 12.458 -1.885 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 112 15.142 -2.016 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.354 -2.347 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 112 13.809 -2.404 -9.235 1.00 0.00 H new ATOM 0 HG LEU A 112 14.567 -4.321 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.689 -5.530 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.866 -3.897 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.581 -4.230 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.334 -5.966 -8.985 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.218 -4.695 -9.537 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.936 -4.633 -9.999 1.00 0.00 H new ATOM 1688 N ALA A 113 13.012 0.446 -7.531 1.00 0.00 N ATOM 1689 CA ALA A 113 12.832 1.771 -8.081 1.00 0.00 C ATOM 1690 C ALA A 113 11.807 2.544 -7.279 1.00 0.00 C ATOM 1691 O ALA A 113 10.655 2.131 -7.166 1.00 0.00 O ATOM 1692 CB ALA A 113 12.402 1.680 -9.536 1.00 0.00 C ATOM 0 H ALA A 113 12.243 0.121 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 113 13.783 2.301 -8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.269 2.684 -9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 113 13.167 1.156 -10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 113 11.461 1.134 -9.604 1.00 0.00 H new ATOM 1698 N ALA A 114 12.234 3.641 -6.690 1.00 0.00 N ATOM 1699 CA ALA A 114 11.342 4.509 -5.968 1.00 0.00 C ATOM 1700 C ALA A 114 11.619 5.947 -6.339 1.00 0.00 C ATOM 1701 O ALA A 114 12.415 6.205 -7.241 1.00 0.00 O ATOM 1702 CB ALA A 114 11.499 4.289 -4.481 1.00 0.00 C ATOM 0 H ALA A 114 13.206 3.951 -6.701 1.00 0.00 H new ATOM 0 HA ALA A 114 10.311 4.278 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.820 4.950 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.264 3.252 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.526 4.506 -4.188 1.00 0.00 H new ATOM 1708 N ASP A 115 10.940 6.870 -5.659 1.00 0.00 N ATOM 1709 CA ASP A 115 10.972 8.283 -6.024 1.00 0.00 C ATOM 1710 C ASP A 115 10.235 8.439 -7.350 1.00 0.00 C ATOM 1711 O ASP A 115 10.474 9.353 -8.136 1.00 0.00 O ATOM 1712 CB ASP A 115 12.427 8.795 -6.105 1.00 0.00 C ATOM 1713 CG ASP A 115 12.543 10.270 -6.450 1.00 0.00 C ATOM 1714 OD1 ASP A 115 12.279 11.115 -5.570 1.00 0.00 O ATOM 1715 OD2 ASP A 115 12.921 10.593 -7.597 1.00 0.00 O1- ATOM 0 H ASP A 115 10.358 6.661 -4.848 1.00 0.00 H new ATOM 0 HA ASP A 115 10.478 8.888 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.918 8.616 -5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.965 8.214 -6.854 1.00 0.00 H new ATOM 1720 N ILE A 116 9.310 7.517 -7.578 1.00 0.00 N ATOM 1721 CA ILE A 116 8.505 7.526 -8.770 1.00 0.00 C ATOM 1722 C ILE A 116 7.273 8.363 -8.525 1.00 0.00 C ATOM 1723 O ILE A 116 6.390 7.954 -7.783 1.00 0.00 O ATOM 1724 CB ILE A 116 8.055 6.103 -9.138 1.00 0.00 C ATOM 1725 CG1 ILE A 116 9.227 5.125 -9.016 1.00 0.00 C ATOM 1726 CG2 ILE A 116 7.470 6.091 -10.536 1.00 0.00 C ATOM 1727 CD1 ILE A 116 8.900 3.716 -9.462 1.00 0.00 C ATOM 0 H ILE A 116 9.105 6.749 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 116 9.101 7.936 -9.586 1.00 0.00 H new ATOM 0 HB ILE A 116 7.280 5.781 -8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.062 5.498 -9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.559 5.099 -7.978 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.154 5.079 -10.789 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.611 6.761 -10.577 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.224 6.424 -11.249 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.780 3.084 -9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.087 3.321 -8.853 1.00 0.00 H new ATOM 0 HD13 ILE A 116 8.597 3.727 -10.509 1.00 0.00 H new ATOM 1739 N GLU A 117 7.205 9.524 -9.135 1.00 0.00 N ATOM 1740 CA GLU A 117 6.060 10.389 -8.940 1.00 0.00 C ATOM 1741 C GLU A 117 4.817 9.786 -9.572 1.00 0.00 C ATOM 1742 O GLU A 117 4.666 9.750 -10.797 1.00 0.00 O ATOM 1743 CB GLU A 117 6.318 11.786 -9.481 1.00 0.00 C ATOM 1744 CG GLU A 117 7.537 12.449 -8.861 1.00 0.00 C ATOM 1745 CD GLU A 117 7.650 13.919 -9.207 1.00 0.00 C ATOM 1746 OE1 GLU A 117 7.721 14.248 -10.408 1.00 0.00 O ATOM 1747 OE2 GLU A 117 7.672 14.754 -8.276 1.00 0.00 O1- ATOM 0 H GLU A 117 7.920 9.890 -9.764 1.00 0.00 H new ATOM 0 HA GLU A 117 5.892 10.478 -7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.451 11.732 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.441 12.408 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.492 12.339 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.436 11.932 -9.197 1.00 0.00 H new ATOM 1754 N ALA A 118 3.950 9.288 -8.712 1.00 0.00 N ATOM 1755 CA ALA A 118 2.704 8.675 -9.128 1.00 0.00 C ATOM 1756 C ALA A 118 1.636 9.713 -9.414 1.00 0.00 C ATOM 1757 O ALA A 118 1.866 10.916 -9.270 1.00 0.00 O ATOM 1758 CB ALA A 118 2.210 7.709 -8.064 1.00 0.00 C ATOM 0 H ALA A 118 4.091 9.297 -7.702 1.00 0.00 H new ATOM 0 HA ALA A 118 2.900 8.130 -10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.274 7.256 -8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.955 6.929 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.047 8.248 -7.131 1.00 0.00 H new ATOM 1764 N GLU A 119 0.477 9.218 -9.822 1.00 0.00 N ATOM 1765 CA GLU A 119 -0.697 10.035 -10.095 1.00 0.00 C ATOM 1766 C GLU A 119 -0.920 11.087 -9.014 1.00 0.00 C ATOM 1767 O GLU A 119 -1.058 12.276 -9.305 1.00 0.00 O ATOM 1768 CB GLU A 119 -1.923 9.124 -10.206 1.00 0.00 C ATOM 1769 CG GLU A 119 -1.938 7.993 -9.180 1.00 0.00 C ATOM 1770 CD GLU A 119 -3.169 7.120 -9.294 1.00 0.00 C ATOM 1771 OE1 GLU A 119 -3.151 6.164 -10.098 1.00 0.00 O ATOM 1772 OE2 GLU A 119 -4.155 7.377 -8.577 1.00 0.00 O1- ATOM 0 H GLU A 119 0.323 8.221 -9.975 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.537 10.566 -11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.824 9.725 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.958 8.695 -11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.048 7.378 -9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.889 8.417 -8.177 1.00 0.00 H new ATOM 1779 N ASN A 120 -0.939 10.647 -7.767 1.00 0.00 N ATOM 1780 CA ASN A 120 -1.191 11.547 -6.656 1.00 0.00 C ATOM 1781 C ASN A 120 0.001 11.608 -5.710 1.00 0.00 C ATOM 1782 O ASN A 120 0.083 12.501 -4.874 1.00 0.00 O ATOM 1783 CB ASN A 120 -2.441 11.114 -5.885 1.00 0.00 C ATOM 1784 CG ASN A 120 -3.707 11.185 -6.718 1.00 0.00 C ATOM 1785 OD1 ASN A 120 -4.343 12.231 -6.811 1.00 0.00 O ATOM 1786 ND2 ASN A 120 -4.095 10.067 -7.314 1.00 0.00 N ATOM 0 H ASN A 120 -0.783 9.675 -7.500 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.352 12.542 -7.071 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -2.305 10.093 -5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.556 11.747 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -4.948 10.057 -7.873 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.540 9.217 -7.214 1.00 0.00 H new ATOM 1793 N GLY A 121 0.928 10.666 -5.833 1.00 0.00 N ATOM 1794 CA GLY A 121 2.041 10.620 -4.901 1.00 0.00 C ATOM 1795 C GLY A 121 3.274 9.999 -5.485 1.00 0.00 C ATOM 1796 O GLY A 121 3.912 10.565 -6.367 1.00 0.00 O ATOM 0 H GLY A 121 0.931 9.942 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.273 11.633 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 121 1.743 10.058 -4.016 1.00 0.00 H new ATOM 1800 N ILE A 122 3.598 8.831 -4.986 1.00 0.00 N ATOM 1801 CA ILE A 122 4.828 8.147 -5.332 1.00 0.00 C ATOM 1802 C ILE A 122 4.616 6.639 -5.436 1.00 0.00 C ATOM 1803 O ILE A 122 3.832 6.061 -4.695 1.00 0.00 O ATOM 1804 CB ILE A 122 5.903 8.452 -4.270 1.00 0.00 C ATOM 1805 CG1 ILE A 122 6.352 9.900 -4.371 1.00 0.00 C ATOM 1806 CG2 ILE A 122 7.099 7.528 -4.380 1.00 0.00 C ATOM 1807 CD1 ILE A 122 7.188 10.197 -5.598 1.00 0.00 C ATOM 0 H ILE A 122 3.014 8.322 -4.323 1.00 0.00 H new ATOM 0 HA ILE A 122 5.157 8.508 -6.307 1.00 0.00 H new ATOM 0 HB ILE A 122 5.447 8.281 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.472 10.544 -4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.927 10.155 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 122 7.828 7.783 -3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.775 6.496 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.556 7.639 -5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.470 11.250 -5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.087 9.580 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.610 9.975 -6.495 1.00 0.00 H new ATOM 1819 N ILE A 123 5.310 6.029 -6.377 1.00 0.00 N ATOM 1820 CA ILE A 123 5.316 4.579 -6.538 1.00 0.00 C ATOM 1821 C ILE A 123 6.696 4.042 -6.189 1.00 0.00 C ATOM 1822 O ILE A 123 7.697 4.742 -6.351 1.00 0.00 O ATOM 1823 CB ILE A 123 4.922 4.165 -7.980 1.00 0.00 C ATOM 1824 CG1 ILE A 123 3.406 4.265 -8.147 1.00 0.00 C ATOM 1825 CG2 ILE A 123 5.396 2.750 -8.307 1.00 0.00 C ATOM 1826 CD1 ILE A 123 2.965 4.479 -9.576 1.00 0.00 C ATOM 0 H ILE A 123 5.889 6.522 -7.056 1.00 0.00 H new ATOM 0 HA ILE A 123 4.574 4.151 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 123 5.412 4.846 -8.675 1.00 0.00 H new ATOM 0 HG12 ILE A 123 2.947 3.352 -7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.035 5.087 -7.535 1.00 0.00 H new ATOM 0 HG21 ILE A 123 5.102 2.494 -9.325 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.481 2.700 -8.219 1.00 0.00 H new ATOM 0 HG23 ILE A 123 4.943 2.044 -7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.877 4.540 -9.616 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.395 5.407 -9.954 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.304 3.645 -10.190 1.00 0.00 H new ATOM 1838 N HIS A 124 6.757 2.826 -5.670 1.00 0.00 N ATOM 1839 CA HIS A 124 8.026 2.261 -5.276 1.00 0.00 C ATOM 1840 C HIS A 124 8.051 0.760 -5.433 1.00 0.00 C ATOM 1841 O HIS A 124 7.375 0.029 -4.730 1.00 0.00 O ATOM 1842 CB HIS A 124 8.338 2.744 -3.870 1.00 0.00 C ATOM 1843 CG HIS A 124 8.582 1.761 -2.775 1.00 0.00 C ATOM 1844 ND1 HIS A 124 8.077 1.956 -1.507 1.00 0.00 N ATOM 1845 CD2 HIS A 124 9.331 0.650 -2.707 1.00 0.00 C ATOM 1846 CE1 HIS A 124 8.511 1.007 -0.714 1.00 0.00 C ATOM 1847 NE2 HIS A 124 9.271 0.202 -1.416 1.00 0.00 N ATOM 0 H HIS A 124 5.950 2.222 -5.515 1.00 0.00 H new ATOM 0 HA HIS A 124 8.820 2.606 -5.939 1.00 0.00 H new ATOM 0 HB2 HIS A 124 9.221 3.380 -3.935 1.00 0.00 H new ATOM 0 HB3 HIS A 124 7.510 3.379 -3.555 1.00 0.00 H new ATOM 0 HD1 HIS A 124 7.461 2.720 -1.229 1.00 0.00 H new ATOM 0 HD2 HIS A 124 9.878 0.195 -3.519 1.00 0.00 H new ATOM 0 HE1 HIS A 124 8.282 0.906 0.337 1.00 0.00 H new ATOM 1856 N VAL A 125 8.891 0.330 -6.327 1.00 0.00 N ATOM 1857 CA VAL A 125 8.951 -1.059 -6.739 1.00 0.00 C ATOM 1858 C VAL A 125 9.731 -1.894 -5.737 1.00 0.00 C ATOM 1859 O VAL A 125 10.832 -1.528 -5.338 1.00 0.00 O ATOM 1860 CB VAL A 125 9.588 -1.200 -8.139 1.00 0.00 C ATOM 1861 CG1 VAL A 125 9.594 -2.653 -8.594 1.00 0.00 C ATOM 1862 CG2 VAL A 125 8.858 -0.327 -9.150 1.00 0.00 C ATOM 0 H VAL A 125 9.564 0.932 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 125 7.926 -1.427 -6.782 1.00 0.00 H new ATOM 0 HB VAL A 125 10.622 -0.863 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.048 -2.723 -9.582 1.00 0.00 H new ATOM 0 HG12 VAL A 125 10.168 -3.253 -7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 125 8.570 -3.025 -8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.321 -0.440 -10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.813 -0.631 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.916 0.716 -8.839 1.00 0.00 H new ATOM 1872 N ILE A 126 9.139 -3.003 -5.323 1.00 0.00 N ATOM 1873 CA ILE A 126 9.797 -3.946 -4.441 1.00 0.00 C ATOM 1874 C ILE A 126 9.795 -5.319 -5.085 1.00 0.00 C ATOM 1875 O ILE A 126 8.997 -5.604 -5.976 1.00 0.00 O ATOM 1876 CB ILE A 126 9.132 -4.044 -3.051 1.00 0.00 C ATOM 1877 CG1 ILE A 126 7.764 -4.714 -3.140 1.00 0.00 C ATOM 1878 CG2 ILE A 126 9.007 -2.670 -2.425 1.00 0.00 C ATOM 1879 CD1 ILE A 126 6.604 -3.751 -3.006 1.00 0.00 C ATOM 0 H ILE A 126 8.192 -3.272 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 126 10.813 -3.581 -4.289 1.00 0.00 H new ATOM 0 HB ILE A 126 9.769 -4.661 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.685 -5.233 -4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 126 7.688 -5.471 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 126 8.536 -2.758 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 126 9.998 -2.230 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.397 -2.033 -3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.665 -4.300 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.657 -3.250 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.653 -3.009 -3.803 1.00 0.00 H new ATOM 1891 N ASP A 127 10.690 -6.157 -4.624 1.00 0.00 N ATOM 1892 CA ASP A 127 10.910 -7.460 -5.210 1.00 0.00 C ATOM 1893 C ASP A 127 10.189 -8.530 -4.411 1.00 0.00 C ATOM 1894 O ASP A 127 10.264 -9.718 -4.718 1.00 0.00 O ATOM 1895 CB ASP A 127 12.411 -7.732 -5.225 1.00 0.00 C ATOM 1896 CG ASP A 127 12.893 -8.454 -3.982 1.00 0.00 C ATOM 1897 OD1 ASP A 127 12.767 -7.894 -2.871 1.00 0.00 O ATOM 1898 OD2 ASP A 127 13.403 -9.585 -4.110 1.00 0.00 O1- ATOM 0 H ASP A 127 11.292 -5.955 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 127 10.517 -7.480 -6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 127 12.658 -8.328 -6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 127 12.945 -6.787 -5.320 1.00 0.00 H new ATOM 1903 N THR A 128 9.463 -8.082 -3.410 1.00 0.00 N ATOM 1904 CA THR A 128 8.837 -8.961 -2.450 1.00 0.00 C ATOM 1905 C THR A 128 7.622 -8.272 -1.846 1.00 0.00 C ATOM 1906 O THR A 128 7.721 -7.143 -1.382 1.00 0.00 O ATOM 1907 CB THR A 128 9.837 -9.311 -1.329 1.00 0.00 C ATOM 1908 OG1 THR A 128 10.920 -10.094 -1.847 1.00 0.00 O ATOM 1909 CG2 THR A 128 9.160 -10.041 -0.185 1.00 0.00 C ATOM 0 H THR A 128 9.290 -7.091 -3.239 1.00 0.00 H new ATOM 0 HA THR A 128 8.526 -9.876 -2.954 1.00 0.00 H new ATOM 0 HB THR A 128 10.234 -8.374 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.546 -10.306 -1.123 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.896 -10.271 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.378 -9.410 0.237 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.720 -10.967 -0.554 1.00 0.00 H new ATOM 1917 N VAL A 129 6.473 -8.914 -1.887 1.00 0.00 N ATOM 1918 CA VAL A 129 5.321 -8.382 -1.214 1.00 0.00 C ATOM 1919 C VAL A 129 5.437 -8.671 0.276 1.00 0.00 C ATOM 1920 O VAL A 129 5.353 -7.723 1.080 1.00 0.00 O ATOM 1921 CB VAL A 129 4.011 -8.969 -1.760 1.00 0.00 C ATOM 1922 CG1 VAL A 129 2.854 -8.516 -0.910 1.00 0.00 C ATOM 1923 CG2 VAL A 129 3.799 -8.542 -3.199 1.00 0.00 C ATOM 0 H VAL A 129 6.319 -9.796 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 129 5.292 -7.307 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 129 4.074 -10.057 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.928 -8.936 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.001 -8.856 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.795 -7.428 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.866 -8.966 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.749 -7.454 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 129 4.629 -8.898 -3.810 1.00 0.00 H new