USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=25 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 Single : A 3 THR OG1 : rot 27:sc= 0.214 USER MOD Single : A 10 ASN : amide:sc= -0.0926 X(o=-0.093,f=-0.48) USER MOD Single : A 11 THR OG1 : rot 80:sc= -0.27 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+ -160:sc= 0.553 (180deg=0.0234) USER MOD Single : A 25 ASN : amide:sc= -2.33 K(o=-2.3,f=-4!) USER MOD Single : A 31 GLN :FLIP amide:sc= -4.25! C(o=-9.8!,f=-4.3!) USER MOD Single : A 32 SER OG : rot 41:sc= -0.98 USER MOD Single : A 37 THR OG1 : rot 87:sc= 2.07 USER MOD Single : A 42 ASN :FLIP amide:sc= -7.56! C(o=-8.2!,f=-7.6!) 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= -0.165 K(o=-0.16,f=-1.5!) USER MOD Single : A 60 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.89) USER MOD Single : A 63 GLN :FLIP amide:sc= -2.95 F(o=-5.6!,f=-3) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.716 X(o=-0.72,f=-0.59) USER MOD Single : A 77 TYR OH : rot 115:sc= 1.2 USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0664) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0434) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc=-0.00704 USER MOD Single : A 90 SER OG : rot 80:sc= 1.41 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.0623 K(o=-0.062,f=-1.5!) USER MOD Single : A 107 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00507) USER MOD Single : A 108 ASN : amide:sc= -2.8 K(o=-2.8,f=-4.4!) USER MOD Single : A 110 THR OG1 : rot -80:sc= 1.02 USER MOD Single : A 120 ASN : amide:sc= 0.0884 X(o=0.088,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -2.85! C(o=-2.8!,f=-6.7!) USER MOD Single : A 128 THR OG1 : rot 2:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -16.496 9.743 -2.564 1.00 0.00 N ATOM 31 CA THR A 3 -15.225 9.079 -2.779 1.00 0.00 C ATOM 32 C THR A 3 -15.445 7.577 -2.993 1.00 0.00 C ATOM 33 O THR A 3 -16.364 6.990 -2.421 1.00 0.00 O ATOM 34 CB THR A 3 -14.308 9.313 -1.563 1.00 0.00 C ATOM 35 OG1 THR A 3 -14.232 10.718 -1.286 1.00 0.00 O ATOM 36 CG2 THR A 3 -12.909 8.769 -1.805 1.00 0.00 C ATOM 0 HA THR A 3 -14.751 9.492 -3.669 1.00 0.00 H new ATOM 0 HB THR A 3 -14.734 8.783 -0.711 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.051 11.157 -1.597 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.290 8.952 -0.926 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.963 7.697 -1.994 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.469 9.268 -2.669 1.00 0.00 H new ATOM 44 N ILE A 4 -14.597 6.969 -3.829 1.00 0.00 N ATOM 45 CA ILE A 4 -14.713 5.552 -4.189 1.00 0.00 C ATOM 46 C ILE A 4 -14.738 4.631 -2.969 1.00 0.00 C ATOM 47 O ILE A 4 -15.196 3.494 -3.050 1.00 0.00 O ATOM 48 CB ILE A 4 -13.587 5.106 -5.160 1.00 0.00 C ATOM 49 CG1 ILE A 4 -12.220 5.703 -4.779 1.00 0.00 C ATOM 50 CG2 ILE A 4 -13.943 5.485 -6.590 1.00 0.00 C ATOM 51 CD1 ILE A 4 -11.575 5.080 -3.558 1.00 0.00 C ATOM 0 H ILE A 4 -13.812 7.444 -4.275 1.00 0.00 H new ATOM 0 HA ILE A 4 -15.672 5.459 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 4 -13.503 4.022 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -11.543 5.594 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -12.342 6.772 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -13.145 5.166 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -14.874 4.995 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -14.066 6.566 -6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.617 5.563 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.227 5.212 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.416 4.016 -3.734 1.00 0.00 H new ATOM 63 N VAL A 5 -14.238 5.124 -1.847 1.00 0.00 N ATOM 64 CA VAL A 5 -14.261 4.380 -0.603 1.00 0.00 C ATOM 65 C VAL A 5 -15.526 4.699 0.191 1.00 0.00 C ATOM 66 O VAL A 5 -16.111 3.831 0.826 1.00 0.00 O ATOM 67 CB VAL A 5 -13.023 4.696 0.260 1.00 0.00 C ATOM 68 CG1 VAL A 5 -12.764 6.190 0.329 1.00 0.00 C ATOM 69 CG2 VAL A 5 -13.202 4.123 1.640 1.00 0.00 C ATOM 0 H VAL A 5 -13.808 6.046 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.250 3.320 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.153 4.234 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.885 6.379 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.593 6.576 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.628 6.689 0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.324 4.350 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -14.085 4.561 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.326 3.042 1.572 1.00 0.00 H new ATOM 79 N ASP A 6 -15.936 5.955 0.134 1.00 0.00 N ATOM 80 CA ASP A 6 -17.102 6.428 0.867 1.00 0.00 C ATOM 81 C ASP A 6 -18.329 5.646 0.464 1.00 0.00 C ATOM 82 O ASP A 6 -19.124 5.223 1.299 1.00 0.00 O ATOM 83 CB ASP A 6 -17.339 7.904 0.581 1.00 0.00 C ATOM 84 CG ASP A 6 -18.298 8.538 1.568 1.00 0.00 C ATOM 85 OD1 ASP A 6 -17.950 8.636 2.764 1.00 0.00 O ATOM 86 OD2 ASP A 6 -19.397 8.957 1.151 1.00 0.00 O1- ATOM 0 H ASP A 6 -15.472 6.675 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.916 6.287 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.387 8.434 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.734 8.017 -0.429 1.00 0.00 H new ATOM 91 N ILE A 7 -18.469 5.453 -0.834 1.00 0.00 N ATOM 92 CA ILE A 7 -19.582 4.695 -1.377 1.00 0.00 C ATOM 93 C ILE A 7 -19.610 3.264 -0.832 1.00 0.00 C ATOM 94 O ILE A 7 -20.648 2.621 -0.835 1.00 0.00 O ATOM 95 CB ILE A 7 -19.552 4.653 -2.912 1.00 0.00 C ATOM 96 CG1 ILE A 7 -19.299 6.054 -3.460 1.00 0.00 C ATOM 97 CG2 ILE A 7 -20.880 4.117 -3.442 1.00 0.00 C ATOM 98 CD1 ILE A 7 -18.658 6.060 -4.826 1.00 0.00 C ATOM 0 H ILE A 7 -17.822 5.813 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 7 -20.487 5.213 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.748 3.992 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -20.245 6.593 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.659 6.597 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -20.853 4.090 -4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -21.045 3.110 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -21.691 4.768 -3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -18.508 7.089 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.696 5.550 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -19.307 5.545 -5.535 1.00 0.00 H new ATOM 110 N ALA A 8 -18.479 2.765 -0.349 1.00 0.00 N ATOM 111 CA ALA A 8 -18.432 1.418 0.206 1.00 0.00 C ATOM 112 C ALA A 8 -19.341 1.304 1.426 1.00 0.00 C ATOM 113 O ALA A 8 -19.946 0.263 1.661 1.00 0.00 O ATOM 114 CB ALA A 8 -17.008 1.023 0.560 1.00 0.00 C ATOM 0 H ALA A 8 -17.591 3.266 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.794 0.728 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.002 0.014 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.389 1.053 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.610 1.719 1.299 1.00 0.00 H new ATOM 120 N VAL A 9 -19.448 2.381 2.197 1.00 0.00 N ATOM 121 CA VAL A 9 -20.365 2.410 3.331 1.00 0.00 C ATOM 122 C VAL A 9 -21.754 2.880 2.875 1.00 0.00 C ATOM 123 O VAL A 9 -22.732 2.808 3.618 1.00 0.00 O ATOM 124 CB VAL A 9 -19.835 3.320 4.468 1.00 0.00 C ATOM 125 CG1 VAL A 9 -20.062 4.793 4.159 1.00 0.00 C ATOM 126 CG2 VAL A 9 -20.457 2.940 5.804 1.00 0.00 C ATOM 0 H VAL A 9 -18.915 3.240 2.059 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.442 1.397 3.726 1.00 0.00 H new ATOM 0 HB VAL A 9 -18.759 3.163 4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -19.678 5.400 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -19.542 5.056 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.129 4.979 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -20.069 3.593 6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -21.540 3.049 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -20.209 1.905 6.040 1.00 0.00 H new ATOM 136 N ASN A 10 -21.820 3.349 1.637 1.00 0.00 N ATOM 137 CA ASN A 10 -23.062 3.856 1.051 1.00 0.00 C ATOM 138 C ASN A 10 -23.796 2.750 0.298 1.00 0.00 C ATOM 139 O ASN A 10 -25.018 2.792 0.140 1.00 0.00 O ATOM 140 CB ASN A 10 -22.733 4.993 0.079 1.00 0.00 C ATOM 141 CG ASN A 10 -23.947 5.668 -0.513 1.00 0.00 C ATOM 142 OD1 ASN A 10 -25.021 5.706 0.088 1.00 0.00 O ATOM 143 ND2 ASN A 10 -23.770 6.226 -1.696 1.00 0.00 N ATOM 0 H ASN A 10 -21.018 3.391 1.008 1.00 0.00 H new ATOM 0 HA ASN A 10 -23.704 4.219 1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -22.133 5.739 0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -22.119 4.598 -0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -24.542 6.715 -2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -22.861 6.169 -2.156 1.00 0.00 H new ATOM 150 N THR A 11 -23.039 1.757 -0.147 1.00 0.00 N ATOM 151 CA THR A 11 -23.565 0.706 -1.000 1.00 0.00 C ATOM 152 C THR A 11 -24.614 -0.138 -0.291 1.00 0.00 C ATOM 153 O THR A 11 -24.406 -0.581 0.841 1.00 0.00 O ATOM 154 CB THR A 11 -22.448 -0.209 -1.516 1.00 0.00 C ATOM 155 OG1 THR A 11 -21.520 -0.501 -0.467 1.00 0.00 O ATOM 156 CG2 THR A 11 -21.727 0.430 -2.689 1.00 0.00 C ATOM 0 H THR A 11 -22.048 1.659 0.073 1.00 0.00 H new ATOM 0 HA THR A 11 -24.037 1.209 -1.844 1.00 0.00 H new ATOM 0 HB THR A 11 -22.900 -1.141 -1.856 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.886 -1.207 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.939 -0.237 -3.039 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.436 0.610 -3.498 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.288 1.377 -2.374 1.00 0.00 H new ATOM 164 N PRO A 12 -25.758 -0.371 -0.948 1.00 0.00 N ATOM 165 CA PRO A 12 -26.827 -1.203 -0.407 1.00 0.00 C ATOM 166 C PRO A 12 -26.519 -2.687 -0.526 1.00 0.00 C ATOM 167 O PRO A 12 -27.202 -3.420 -1.243 1.00 0.00 O ATOM 168 CB PRO A 12 -28.047 -0.846 -1.270 1.00 0.00 C ATOM 169 CG PRO A 12 -27.613 0.278 -2.149 1.00 0.00 C ATOM 170 CD PRO A 12 -26.128 0.170 -2.258 1.00 0.00 C ATOM 0 HA PRO A 12 -26.976 -1.020 0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -28.370 -1.702 -1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -28.892 -0.551 -0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -28.082 0.208 -3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -27.904 1.239 -1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -25.827 -0.491 -3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -25.662 1.138 -2.445 1.00 0.00 H new ATOM 178 N GLY A 13 -25.488 -3.126 0.172 1.00 0.00 N ATOM 179 CA GLY A 13 -25.142 -4.529 0.160 1.00 0.00 C ATOM 180 C GLY A 13 -24.451 -4.928 -1.123 1.00 0.00 C ATOM 181 O GLY A 13 -24.821 -5.917 -1.753 1.00 0.00 O ATOM 0 H GLY A 13 -24.884 -2.538 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -24.492 -4.750 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -26.045 -5.127 0.287 1.00 0.00 H new ATOM 185 N PHE A 14 -23.473 -4.132 -1.533 1.00 0.00 N ATOM 186 CA PHE A 14 -22.686 -4.433 -2.731 1.00 0.00 C ATOM 187 C PHE A 14 -21.828 -5.683 -2.567 1.00 0.00 C ATOM 188 O PHE A 14 -21.937 -6.413 -1.579 1.00 0.00 O ATOM 189 CB PHE A 14 -21.778 -3.260 -3.088 1.00 0.00 C ATOM 190 CG PHE A 14 -22.218 -2.514 -4.315 1.00 0.00 C ATOM 191 CD1 PHE A 14 -23.506 -2.011 -4.410 1.00 0.00 C ATOM 192 CD2 PHE A 14 -21.341 -2.305 -5.364 1.00 0.00 C ATOM 193 CE1 PHE A 14 -23.911 -1.315 -5.531 1.00 0.00 C ATOM 194 CE2 PHE A 14 -21.740 -1.611 -6.490 1.00 0.00 C ATOM 195 CZ PHE A 14 -23.026 -1.113 -6.572 1.00 0.00 C ATOM 0 H PHE A 14 -23.202 -3.272 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 14 -23.404 -4.612 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.742 -2.569 -2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.764 -3.629 -3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -24.201 -2.165 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.333 -2.689 -5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.918 -0.929 -5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.048 -1.458 -7.305 1.00 0.00 H new ATOM 0 HZ PHE A 14 -23.339 -0.566 -7.449 1.00 0.00 H new ATOM 205 N SER A 15 -20.973 -5.915 -3.554 1.00 0.00 N ATOM 206 CA SER A 15 -20.036 -7.024 -3.527 1.00 0.00 C ATOM 207 C SER A 15 -19.084 -6.893 -2.340 1.00 0.00 C ATOM 208 O SER A 15 -18.937 -5.812 -1.761 1.00 0.00 O ATOM 209 CB SER A 15 -19.240 -7.039 -4.827 1.00 0.00 C ATOM 210 OG SER A 15 -20.106 -7.017 -5.952 1.00 0.00 O ATOM 0 H SER A 15 -20.911 -5.339 -4.394 1.00 0.00 H new ATOM 0 HA SER A 15 -20.591 -7.956 -3.422 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.573 -6.177 -4.860 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.612 -7.929 -4.864 1.00 0.00 H new ATOM 0 HG SER A 15 -19.574 -7.025 -6.775 1.00 0.00 H new ATOM 216 N THR A 16 -18.420 -7.991 -1.999 1.00 0.00 N ATOM 217 CA THR A 16 -17.497 -8.018 -0.872 1.00 0.00 C ATOM 218 C THR A 16 -16.340 -7.042 -1.077 1.00 0.00 C ATOM 219 O THR A 16 -15.661 -6.671 -0.125 1.00 0.00 O ATOM 220 CB THR A 16 -16.949 -9.442 -0.637 1.00 0.00 C ATOM 221 OG1 THR A 16 -18.026 -10.389 -0.699 1.00 0.00 O ATOM 222 CG2 THR A 16 -16.260 -9.556 0.716 1.00 0.00 C ATOM 0 H THR A 16 -18.505 -8.880 -2.491 1.00 0.00 H new ATOM 0 HA THR A 16 -18.057 -7.708 0.011 1.00 0.00 H new ATOM 0 HB THR A 16 -16.216 -9.653 -1.416 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.676 -11.292 -0.551 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.886 -10.571 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 16 -15.428 -8.854 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.973 -9.325 1.508 1.00 0.00 H new ATOM 230 N LEU A 17 -16.125 -6.628 -2.320 1.00 0.00 N ATOM 231 CA LEU A 17 -15.114 -5.625 -2.637 1.00 0.00 C ATOM 232 C LEU A 17 -15.275 -4.377 -1.766 1.00 0.00 C ATOM 233 O LEU A 17 -14.286 -3.784 -1.331 1.00 0.00 O ATOM 234 CB LEU A 17 -15.200 -5.238 -4.115 1.00 0.00 C ATOM 235 CG LEU A 17 -14.930 -6.373 -5.104 1.00 0.00 C ATOM 236 CD1 LEU A 17 -15.090 -5.884 -6.534 1.00 0.00 C ATOM 237 CD2 LEU A 17 -13.537 -6.951 -4.891 1.00 0.00 C ATOM 0 H LEU A 17 -16.640 -6.973 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 17 -14.136 -6.061 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -16.194 -4.836 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.488 -4.435 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 17 -15.660 -7.163 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.894 -6.705 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -16.107 -5.520 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.384 -5.075 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.365 -7.757 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.792 -6.169 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.456 -7.341 -3.876 1.00 0.00 H new ATOM 249 N VAL A 18 -16.519 -3.986 -1.491 1.00 0.00 N ATOM 250 CA VAL A 18 -16.766 -2.787 -0.691 1.00 0.00 C ATOM 251 C VAL A 18 -16.617 -3.104 0.782 1.00 0.00 C ATOM 252 O VAL A 18 -16.290 -2.240 1.596 1.00 0.00 O ATOM 253 CB VAL A 18 -18.170 -2.193 -0.945 1.00 0.00 C ATOM 254 CG1 VAL A 18 -18.458 -2.151 -2.432 1.00 0.00 C ATOM 255 CG2 VAL A 18 -19.256 -2.969 -0.205 1.00 0.00 C ATOM 0 H VAL A 18 -17.359 -4.473 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.027 -2.044 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.178 -1.175 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -19.450 -1.731 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.713 -1.531 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -18.419 -3.161 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.228 -2.520 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.257 -4.005 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.060 -2.937 0.867 1.00 0.00 H new ATOM 265 N THR A 19 -16.864 -4.349 1.121 1.00 0.00 N ATOM 266 CA THR A 19 -16.797 -4.770 2.496 1.00 0.00 C ATOM 267 C THR A 19 -15.365 -5.048 2.901 1.00 0.00 C ATOM 268 O THR A 19 -15.021 -4.923 4.062 1.00 0.00 O ATOM 269 CB THR A 19 -17.663 -6.009 2.747 1.00 0.00 C ATOM 270 OG1 THR A 19 -18.858 -5.924 1.960 1.00 0.00 O ATOM 271 CG2 THR A 19 -18.033 -6.101 4.220 1.00 0.00 C ATOM 0 H THR A 19 -17.113 -5.086 0.461 1.00 0.00 H new ATOM 0 HA THR A 19 -17.186 -3.955 3.106 1.00 0.00 H new ATOM 0 HB THR A 19 -17.099 -6.899 2.466 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.411 -6.717 2.119 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.648 -6.985 4.386 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.125 -6.173 4.819 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.591 -5.211 4.511 1.00 0.00 H new ATOM 279 N ALA A 20 -14.530 -5.386 1.933 1.00 0.00 N ATOM 280 CA ALA A 20 -13.131 -5.686 2.194 1.00 0.00 C ATOM 281 C ALA A 20 -12.396 -4.476 2.770 1.00 0.00 C ATOM 282 O ALA A 20 -11.525 -4.620 3.620 1.00 0.00 O ATOM 283 CB ALA A 20 -12.469 -6.200 0.933 1.00 0.00 C ATOM 0 H ALA A 20 -14.799 -5.460 0.952 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.079 -6.469 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.422 -6.422 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.974 -7.107 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.534 -5.441 0.153 1.00 0.00 H new ATOM 289 N VAL A 21 -12.757 -3.281 2.331 1.00 0.00 N ATOM 290 CA VAL A 21 -12.225 -2.072 2.948 1.00 0.00 C ATOM 291 C VAL A 21 -12.947 -1.782 4.266 1.00 0.00 C ATOM 292 O VAL A 21 -12.327 -1.358 5.242 1.00 0.00 O ATOM 293 CB VAL A 21 -12.306 -0.843 2.009 1.00 0.00 C ATOM 294 CG1 VAL A 21 -13.626 -0.802 1.242 1.00 0.00 C ATOM 295 CG2 VAL A 21 -12.128 0.424 2.820 1.00 0.00 C ATOM 0 H VAL A 21 -13.407 -3.120 1.561 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.169 -2.255 3.148 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.506 -0.923 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.644 0.075 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.723 -1.703 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.455 -0.749 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.185 1.290 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.915 0.488 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.156 0.407 3.313 1.00 0.00 H new ATOM 305 N LYS A 22 -14.249 -2.044 4.298 1.00 0.00 N ATOM 306 CA LYS A 22 -15.053 -1.816 5.491 1.00 0.00 C ATOM 307 C LYS A 22 -14.575 -2.689 6.646 1.00 0.00 C ATOM 308 O LYS A 22 -14.426 -2.223 7.775 1.00 0.00 O ATOM 309 CB LYS A 22 -16.535 -2.096 5.195 1.00 0.00 C ATOM 310 CG LYS A 22 -17.308 -0.873 4.746 1.00 0.00 C ATOM 311 CD LYS A 22 -18.777 -1.149 4.498 1.00 0.00 C ATOM 312 CE LYS A 22 -18.987 -2.094 3.333 1.00 0.00 C ATOM 313 NZ LYS A 22 -20.419 -2.202 2.956 1.00 0.00 N1+ ATOM 0 H LYS A 22 -14.772 -2.417 3.506 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.940 -0.772 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.604 -2.862 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.005 -2.503 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.215 -0.095 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.859 -0.484 3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.223 -1.576 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.294 -0.210 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.412 -1.746 2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.605 -3.081 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.570 -3.076 2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.004 -2.224 3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.688 -1.382 2.375 1.00 0.00 H new ATOM 327 N VAL A 23 -14.298 -3.944 6.338 1.00 0.00 N ATOM 328 CA VAL A 23 -13.879 -4.916 7.340 1.00 0.00 C ATOM 329 C VAL A 23 -12.455 -4.627 7.785 1.00 0.00 C ATOM 330 O VAL A 23 -12.100 -4.798 8.949 1.00 0.00 O ATOM 331 CB VAL A 23 -13.967 -6.359 6.798 1.00 0.00 C ATOM 332 CG1 VAL A 23 -13.088 -6.538 5.569 1.00 0.00 C ATOM 333 CG2 VAL A 23 -13.577 -7.341 7.880 1.00 0.00 C ATOM 0 H VAL A 23 -14.356 -4.320 5.391 1.00 0.00 H new ATOM 0 HA VAL A 23 -14.555 -4.828 8.191 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.997 -6.553 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.170 -7.564 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.412 -5.852 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.051 -6.327 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -13.642 -8.357 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.555 -7.140 8.202 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.253 -7.235 8.729 1.00 0.00 H new ATOM 343 N ALA A 24 -11.655 -4.166 6.841 1.00 0.00 N ATOM 344 CA ALA A 24 -10.270 -3.830 7.102 1.00 0.00 C ATOM 345 C ALA A 24 -10.159 -2.502 7.833 1.00 0.00 C ATOM 346 O ALA A 24 -9.071 -2.082 8.188 1.00 0.00 O ATOM 347 CB ALA A 24 -9.505 -3.748 5.813 1.00 0.00 C ATOM 0 H ALA A 24 -11.947 -4.015 5.875 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.849 -4.615 7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.466 -3.495 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.548 -4.710 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.945 -2.980 5.177 1.00 0.00 H new ATOM 353 N ASN A 25 -11.307 -1.849 8.002 1.00 0.00 N ATOM 354 CA ASN A 25 -11.447 -0.565 8.684 1.00 0.00 C ATOM 355 C ASN A 25 -10.869 0.609 7.883 1.00 0.00 C ATOM 356 O ASN A 25 -10.860 1.744 8.357 1.00 0.00 O ATOM 357 CB ASN A 25 -10.876 -0.635 10.116 1.00 0.00 C ATOM 358 CG ASN A 25 -9.407 -0.225 10.285 1.00 0.00 C ATOM 359 OD1 ASN A 25 -8.540 -1.068 10.521 1.00 0.00 O ATOM 360 ND2 ASN A 25 -9.112 1.061 10.185 1.00 0.00 N ATOM 0 H ASN A 25 -12.195 -2.212 7.656 1.00 0.00 H new ATOM 0 HA ASN A 25 -12.515 -0.363 8.761 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.485 0.002 10.758 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.990 -1.656 10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.149 1.374 10.304 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.848 1.739 9.989 1.00 0.00 H new ATOM 367 N LEU A 26 -10.483 0.368 6.635 1.00 0.00 N ATOM 368 CA LEU A 26 -9.873 1.424 5.826 1.00 0.00 C ATOM 369 C LEU A 26 -10.902 2.290 5.127 1.00 0.00 C ATOM 370 O LEU A 26 -10.551 3.111 4.280 1.00 0.00 O ATOM 371 CB LEU A 26 -8.899 0.865 4.798 1.00 0.00 C ATOM 372 CG LEU A 26 -7.475 0.671 5.307 1.00 0.00 C ATOM 373 CD1 LEU A 26 -7.388 -0.508 6.247 1.00 0.00 C ATOM 374 CD2 LEU A 26 -6.519 0.501 4.152 1.00 0.00 C ATOM 0 H LEU A 26 -10.578 -0.532 6.165 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.323 2.048 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.277 -0.094 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.875 1.535 3.939 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.192 1.565 5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.361 -0.622 6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.043 -0.341 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.697 -1.413 5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.507 0.364 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.807 -0.372 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.551 1.388 3.520 1.00 0.00 H new ATOM 386 N VAL A 27 -12.165 2.111 5.478 1.00 0.00 N ATOM 387 CA VAL A 27 -13.229 2.932 4.919 1.00 0.00 C ATOM 388 C VAL A 27 -12.962 4.407 5.186 1.00 0.00 C ATOM 389 O VAL A 27 -13.220 5.254 4.347 1.00 0.00 O ATOM 390 CB VAL A 27 -14.608 2.514 5.482 1.00 0.00 C ATOM 391 CG1 VAL A 27 -15.356 3.679 6.123 1.00 0.00 C ATOM 392 CG2 VAL A 27 -15.449 1.880 4.385 1.00 0.00 C ATOM 0 H VAL A 27 -12.479 1.407 6.146 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.246 2.775 3.841 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.428 1.783 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.317 3.330 6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.766 4.081 6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.520 4.459 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.418 1.589 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.595 2.598 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.938 0.998 3.999 1.00 0.00 H new ATOM 402 N GLU A 28 -12.432 4.692 6.356 1.00 0.00 N ATOM 403 CA GLU A 28 -12.071 6.056 6.724 1.00 0.00 C ATOM 404 C GLU A 28 -10.669 6.422 6.237 1.00 0.00 C ATOM 405 O GLU A 28 -10.347 7.600 6.083 1.00 0.00 O ATOM 406 CB GLU A 28 -12.162 6.218 8.234 1.00 0.00 C ATOM 407 CG GLU A 28 -11.620 5.019 8.996 1.00 0.00 C ATOM 408 CD GLU A 28 -11.522 5.263 10.484 1.00 0.00 C ATOM 409 OE1 GLU A 28 -12.515 5.024 11.199 1.00 0.00 O ATOM 410 OE2 GLU A 28 -10.448 5.695 10.947 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.238 3.997 7.077 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.773 6.734 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.610 7.110 8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.203 6.379 8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.265 4.159 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.633 4.765 8.609 1.00 0.00 H new ATOM 417 N ALA A 29 -9.847 5.413 5.988 1.00 0.00 N ATOM 418 CA ALA A 29 -8.466 5.626 5.590 1.00 0.00 C ATOM 419 C ALA A 29 -8.355 6.056 4.129 1.00 0.00 C ATOM 420 O ALA A 29 -7.781 7.101 3.827 1.00 0.00 O ATOM 421 CB ALA A 29 -7.651 4.365 5.835 1.00 0.00 C ATOM 0 H ALA A 29 -10.117 4.432 6.056 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.066 6.437 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.618 4.535 5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.683 4.111 6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.068 3.543 5.253 1.00 0.00 H new ATOM 427 N LEU A 30 -8.922 5.246 3.232 1.00 0.00 N ATOM 428 CA LEU A 30 -8.868 5.502 1.781 1.00 0.00 C ATOM 429 C LEU A 30 -9.452 6.870 1.412 1.00 0.00 C ATOM 430 O LEU A 30 -9.283 7.347 0.291 1.00 0.00 O ATOM 431 CB LEU A 30 -9.641 4.438 1.010 1.00 0.00 C ATOM 432 CG LEU A 30 -9.351 2.991 1.388 1.00 0.00 C ATOM 433 CD1 LEU A 30 -10.071 2.059 0.438 1.00 0.00 C ATOM 434 CD2 LEU A 30 -7.863 2.694 1.382 1.00 0.00 C ATOM 0 H LEU A 30 -9.430 4.398 3.483 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.813 5.478 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.707 4.621 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.431 4.564 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.714 2.832 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.860 1.025 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.145 2.238 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.728 2.241 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.699 1.652 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.460 2.874 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.360 3.342 2.100 1.00 0.00 H new ATOM 446 N GLN A 31 -10.156 7.474 2.358 1.00 0.00 N ATOM 447 CA GLN A 31 -10.842 8.750 2.146 1.00 0.00 C ATOM 448 C GLN A 31 -9.865 9.894 1.883 1.00 0.00 C ATOM 449 O GLN A 31 -10.272 10.972 1.447 1.00 0.00 O ATOM 450 CB GLN A 31 -11.690 9.079 3.367 1.00 0.00 C ATOM 451 CG GLN A 31 -12.685 8.000 3.700 1.00 0.00 C ATOM 452 CD GLN A 31 -13.966 8.094 2.916 1.00 0.00 C ATOM 453 OE1 GLN A 31 -14.485 6.949 2.536 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -14.445 9.181 2.597 1.00 0.00 N flip ATOM 0 H GLN A 31 -10.271 7.096 3.298 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.471 8.643 1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.036 9.240 4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.222 10.014 3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.228 7.028 3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.917 8.048 4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.007 10.045 2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.281 9.219 2.013 1.00 0.00 H new ATOM 463 N SER A 32 -8.589 9.655 2.158 1.00 0.00 N ATOM 464 CA SER A 32 -7.547 10.659 1.978 1.00 0.00 C ATOM 465 C SER A 32 -7.503 11.177 0.537 1.00 0.00 C ATOM 466 O SER A 32 -7.196 10.432 -0.390 1.00 0.00 O ATOM 467 CB SER A 32 -6.206 10.046 2.359 1.00 0.00 C ATOM 468 OG SER A 32 -6.043 8.785 1.733 1.00 0.00 O ATOM 0 H SER A 32 -8.247 8.761 2.512 1.00 0.00 H new ATOM 0 HA SER A 32 -7.767 11.512 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.397 10.713 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.145 9.932 3.441 1.00 0.00 H new ATOM 0 HG SER A 32 -6.371 8.833 0.811 1.00 0.00 H new ATOM 474 N PRO A 33 -7.827 12.463 0.338 1.00 0.00 N ATOM 475 CA PRO A 33 -7.866 13.079 -0.990 1.00 0.00 C ATOM 476 C PRO A 33 -6.492 13.495 -1.508 1.00 0.00 C ATOM 477 O PRO A 33 -6.329 13.794 -2.692 1.00 0.00 O ATOM 478 CB PRO A 33 -8.727 14.317 -0.775 1.00 0.00 C ATOM 479 CG PRO A 33 -8.570 14.675 0.665 1.00 0.00 C ATOM 480 CD PRO A 33 -8.188 13.416 1.403 1.00 0.00 C ATOM 0 HA PRO A 33 -8.246 12.380 -1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.404 15.135 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.770 14.115 -1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.804 15.440 0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.498 15.086 1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.352 13.590 2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.015 13.043 2.007 1.00 0.00 H new ATOM 488 N GLY A 34 -5.519 13.524 -0.610 1.00 0.00 N ATOM 489 CA GLY A 34 -4.192 14.014 -0.942 1.00 0.00 C ATOM 490 C GLY A 34 -3.383 13.078 -1.831 1.00 0.00 C ATOM 491 O GLY A 34 -3.940 12.347 -2.652 1.00 0.00 O ATOM 0 H GLY A 34 -5.625 13.213 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.288 14.978 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.640 14.187 -0.018 1.00 0.00 H new ATOM 495 N PRO A 35 -2.047 13.098 -1.690 1.00 0.00 N ATOM 496 CA PRO A 35 -1.148 12.312 -2.533 1.00 0.00 C ATOM 497 C PRO A 35 -1.180 10.821 -2.204 1.00 0.00 C ATOM 498 O PRO A 35 -1.740 10.415 -1.189 1.00 0.00 O ATOM 499 CB PRO A 35 0.228 12.897 -2.233 1.00 0.00 C ATOM 500 CG PRO A 35 0.121 13.531 -0.893 1.00 0.00 C ATOM 501 CD PRO A 35 -1.320 13.896 -0.687 1.00 0.00 C ATOM 0 HA PRO A 35 -1.431 12.370 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.992 12.119 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.514 13.628 -2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.459 12.846 -0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.754 14.416 -0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.649 13.658 0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.484 14.964 -0.833 1.00 0.00 H new ATOM 509 N PHE A 36 -0.552 10.011 -3.052 1.00 0.00 N ATOM 510 CA PHE A 36 -0.647 8.563 -2.928 1.00 0.00 C ATOM 511 C PHE A 36 0.688 7.870 -3.200 1.00 0.00 C ATOM 512 O PHE A 36 1.286 8.041 -4.260 1.00 0.00 O ATOM 513 CB PHE A 36 -1.708 8.023 -3.888 1.00 0.00 C ATOM 514 CG PHE A 36 -3.122 8.273 -3.438 1.00 0.00 C ATOM 515 CD1 PHE A 36 -3.606 7.676 -2.285 1.00 0.00 C ATOM 516 CD2 PHE A 36 -3.968 9.093 -4.168 1.00 0.00 C ATOM 517 CE1 PHE A 36 -4.906 7.892 -1.868 1.00 0.00 C ATOM 518 CE2 PHE A 36 -5.268 9.314 -3.754 1.00 0.00 C ATOM 519 CZ PHE A 36 -5.736 8.712 -2.604 1.00 0.00 C ATOM 0 H PHE A 36 0.025 10.333 -3.829 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.930 8.346 -1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.563 8.479 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.561 6.950 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.960 7.034 -1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.607 9.564 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.271 7.420 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.917 9.957 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.752 8.883 -2.280 1.00 0.00 H new ATOM 529 N THR A 37 1.139 7.082 -2.239 1.00 0.00 N ATOM 530 CA THR A 37 2.353 6.299 -2.375 1.00 0.00 C ATOM 531 C THR A 37 2.025 4.819 -2.570 1.00 0.00 C ATOM 532 O THR A 37 1.323 4.210 -1.762 1.00 0.00 O ATOM 533 CB THR A 37 3.264 6.486 -1.145 1.00 0.00 C ATOM 534 OG1 THR A 37 3.790 7.814 -1.147 1.00 0.00 O ATOM 535 CG2 THR A 37 4.411 5.490 -1.141 1.00 0.00 C ATOM 0 H THR A 37 0.671 6.968 -1.340 1.00 0.00 H new ATOM 0 HA THR A 37 2.885 6.654 -3.258 1.00 0.00 H new ATOM 0 HB THR A 37 2.666 6.314 -0.250 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.160 8.416 -0.698 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.031 5.653 -0.259 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.012 4.476 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.014 5.626 -2.039 1.00 0.00 H new ATOM 543 N VAL A 38 2.528 4.253 -3.655 1.00 0.00 N ATOM 544 CA VAL A 38 2.259 2.865 -3.993 1.00 0.00 C ATOM 545 C VAL A 38 3.533 2.027 -3.915 1.00 0.00 C ATOM 546 O VAL A 38 4.591 2.443 -4.396 1.00 0.00 O ATOM 547 CB VAL A 38 1.669 2.744 -5.418 1.00 0.00 C ATOM 548 CG1 VAL A 38 1.283 1.309 -5.733 1.00 0.00 C ATOM 549 CG2 VAL A 38 0.474 3.668 -5.593 1.00 0.00 C ATOM 0 H VAL A 38 3.129 4.738 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 38 1.534 2.493 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 38 2.443 3.048 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.872 1.256 -6.741 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.165 0.672 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.535 0.968 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.078 3.564 -6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.299 3.404 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.785 4.700 -5.430 1.00 0.00 H new ATOM 559 N PHE A 39 3.438 0.863 -3.286 1.00 0.00 N ATOM 560 CA PHE A 39 4.527 -0.103 -3.308 1.00 0.00 C ATOM 561 C PHE A 39 4.203 -1.172 -4.342 1.00 0.00 C ATOM 562 O PHE A 39 3.212 -1.892 -4.212 1.00 0.00 O ATOM 563 CB PHE A 39 4.743 -0.739 -1.928 1.00 0.00 C ATOM 564 CG PHE A 39 4.971 0.261 -0.828 1.00 0.00 C ATOM 565 CD1 PHE A 39 6.209 0.860 -0.666 1.00 0.00 C ATOM 566 CD2 PHE A 39 3.948 0.597 0.045 1.00 0.00 C ATOM 567 CE1 PHE A 39 6.423 1.778 0.345 1.00 0.00 C ATOM 568 CE2 PHE A 39 4.157 1.513 1.058 1.00 0.00 C ATOM 569 CZ PHE A 39 5.397 2.104 1.209 1.00 0.00 C ATOM 0 H PHE A 39 2.619 0.566 -2.755 1.00 0.00 H new ATOM 0 HA PHE A 39 5.452 0.408 -3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.874 -1.348 -1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.599 -1.412 -1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.016 0.607 -1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.977 0.138 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.393 2.240 0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.352 1.767 1.731 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.563 2.819 2.001 1.00 0.00 H new ATOM 579 N ALA A 40 5.022 -1.254 -5.375 1.00 0.00 N ATOM 580 CA ALA A 40 4.740 -2.127 -6.502 1.00 0.00 C ATOM 581 C ALA A 40 5.622 -3.371 -6.474 1.00 0.00 C ATOM 582 O ALA A 40 6.845 -3.271 -6.549 1.00 0.00 O ATOM 583 CB ALA A 40 4.936 -1.367 -7.804 1.00 0.00 C ATOM 0 H ALA A 40 5.890 -0.725 -5.458 1.00 0.00 H new ATOM 0 HA ALA A 40 3.703 -2.455 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.723 -2.026 -8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.259 -0.513 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.966 -1.016 -7.869 1.00 0.00 H new ATOM 589 N PRO A 41 5.018 -4.562 -6.357 1.00 0.00 N ATOM 590 CA PRO A 41 5.768 -5.814 -6.363 1.00 0.00 C ATOM 591 C PRO A 41 6.355 -6.119 -7.741 1.00 0.00 C ATOM 592 O PRO A 41 5.648 -6.130 -8.751 1.00 0.00 O ATOM 593 CB PRO A 41 4.734 -6.867 -5.961 1.00 0.00 C ATOM 594 CG PRO A 41 3.416 -6.275 -6.330 1.00 0.00 C ATOM 595 CD PRO A 41 3.568 -4.781 -6.201 1.00 0.00 C ATOM 0 HA PRO A 41 6.624 -5.782 -5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.905 -7.808 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.785 -7.083 -4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.138 -6.550 -7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.628 -6.643 -5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.999 -4.253 -6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.211 -4.424 -5.235 1.00 0.00 H new ATOM 603 N ASN A 42 7.656 -6.341 -7.766 1.00 0.00 N ATOM 604 CA ASN A 42 8.382 -6.633 -8.993 1.00 0.00 C ATOM 605 C ASN A 42 8.116 -8.081 -9.433 1.00 0.00 C ATOM 606 O ASN A 42 7.440 -8.826 -8.718 1.00 0.00 O ATOM 607 CB ASN A 42 9.878 -6.380 -8.745 1.00 0.00 C ATOM 608 CG ASN A 42 10.691 -7.641 -8.582 1.00 0.00 C ATOM 609 OD1 ASN A 42 10.622 -8.216 -7.408 1.00 0.00 O flip ATOM 610 ND2 ASN A 42 11.324 -8.120 -9.517 1.00 0.00 N flip ATOM 0 H ASN A 42 8.244 -6.324 -6.933 1.00 0.00 H new ATOM 0 HA ASN A 42 8.043 -5.984 -9.801 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.282 -5.804 -9.577 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.990 -5.769 -7.850 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.350 -7.637 -10.415 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.824 -9.001 -9.396 1.00 0.00 H new ATOM 617 N ASP A 43 8.640 -8.486 -10.581 1.00 0.00 N ATOM 618 CA ASP A 43 8.373 -9.826 -11.112 1.00 0.00 C ATOM 619 C ASP A 43 8.832 -10.930 -10.157 1.00 0.00 C ATOM 620 O ASP A 43 8.168 -11.960 -10.022 1.00 0.00 O ATOM 621 CB ASP A 43 9.039 -10.013 -12.475 1.00 0.00 C ATOM 622 CG ASP A 43 8.367 -9.202 -13.564 1.00 0.00 C ATOM 623 OD1 ASP A 43 7.337 -9.659 -14.098 1.00 0.00 O ATOM 624 OD2 ASP A 43 8.862 -8.102 -13.887 1.00 0.00 O1- ATOM 0 H ASP A 43 9.250 -7.913 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 43 7.292 -9.909 -11.223 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.088 -9.725 -12.406 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.016 -11.069 -12.746 1.00 0.00 H new ATOM 629 N ASP A 44 9.938 -10.702 -9.456 1.00 0.00 N ATOM 630 CA ASP A 44 10.504 -11.723 -8.584 1.00 0.00 C ATOM 631 C ASP A 44 9.710 -11.757 -7.290 1.00 0.00 C ATOM 632 O ASP A 44 9.707 -12.742 -6.558 1.00 0.00 O ATOM 633 CB ASP A 44 11.982 -11.452 -8.309 1.00 0.00 C ATOM 634 CG ASP A 44 12.700 -12.648 -7.708 1.00 0.00 C ATOM 635 OD1 ASP A 44 12.695 -12.806 -6.469 1.00 0.00 O ATOM 636 OD2 ASP A 44 13.280 -13.445 -8.477 1.00 0.00 O1- ATOM 0 H ASP A 44 10.457 -9.824 -9.475 1.00 0.00 H new ATOM 0 HA ASP A 44 10.440 -12.694 -9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.474 -11.169 -9.240 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.071 -10.603 -7.631 1.00 0.00 H new ATOM 641 N ALA A 45 8.999 -10.668 -7.044 1.00 0.00 N ATOM 642 CA ALA A 45 8.142 -10.543 -5.884 1.00 0.00 C ATOM 643 C ALA A 45 6.879 -11.356 -6.098 1.00 0.00 C ATOM 644 O ALA A 45 6.396 -12.039 -5.200 1.00 0.00 O ATOM 645 CB ALA A 45 7.810 -9.085 -5.652 1.00 0.00 C ATOM 0 H ALA A 45 9.003 -9.846 -7.647 1.00 0.00 H new ATOM 0 HA ALA A 45 8.656 -10.925 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.165 -8.993 -4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.730 -8.525 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.296 -8.685 -6.526 1.00 0.00 H new ATOM 769 N ILE A 54 -0.216 -11.572 0.989 1.00 0.00 N ATOM 770 CA ILE A 54 -1.328 -10.715 1.337 1.00 0.00 C ATOM 771 C ILE A 54 -2.418 -11.506 2.044 1.00 0.00 C ATOM 772 O ILE A 54 -3.197 -10.963 2.821 1.00 0.00 O ATOM 773 CB ILE A 54 -1.868 -9.976 0.087 1.00 0.00 C ATOM 774 CG1 ILE A 54 -1.140 -8.639 -0.054 1.00 0.00 C ATOM 775 CG2 ILE A 54 -3.374 -9.763 0.150 1.00 0.00 C ATOM 776 CD1 ILE A 54 0.351 -8.760 -0.310 1.00 0.00 C ATOM 0 HA ILE A 54 -0.974 -9.955 2.034 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.678 -10.598 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.592 -8.078 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.294 -8.058 0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.706 -9.241 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.876 -10.729 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.621 -9.166 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.787 -7.765 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.820 -9.291 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.518 -9.311 -1.236 1.00 0.00 H new ATOM 788 N THR A 55 -2.436 -12.800 1.798 1.00 0.00 N ATOM 789 CA THR A 55 -3.368 -13.684 2.472 1.00 0.00 C ATOM 790 C THR A 55 -3.180 -13.658 3.992 1.00 0.00 C ATOM 791 O THR A 55 -4.135 -13.791 4.730 1.00 0.00 O ATOM 792 CB THR A 55 -3.239 -15.121 1.963 1.00 0.00 C ATOM 793 OG1 THR A 55 -3.583 -15.171 0.571 1.00 0.00 O ATOM 794 CG2 THR A 55 -4.136 -16.058 2.760 1.00 0.00 C ATOM 0 H THR A 55 -1.815 -13.265 1.135 1.00 0.00 H new ATOM 0 HA THR A 55 -4.368 -13.316 2.243 1.00 0.00 H new ATOM 0 HB THR A 55 -2.207 -15.447 2.092 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.498 -16.092 0.246 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.028 -17.074 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.849 -16.030 3.811 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.174 -15.741 2.659 1.00 0.00 H new ATOM 802 N SER A 56 -1.961 -13.465 4.460 1.00 0.00 N ATOM 803 CA SER A 56 -1.706 -13.375 5.889 1.00 0.00 C ATOM 804 C SER A 56 -1.979 -11.954 6.355 1.00 0.00 C ATOM 805 O SER A 56 -2.300 -11.695 7.515 1.00 0.00 O ATOM 806 CB SER A 56 -0.263 -13.781 6.193 1.00 0.00 C ATOM 807 OG SER A 56 0.015 -13.701 7.580 1.00 0.00 O ATOM 0 H SER A 56 -1.132 -13.367 3.874 1.00 0.00 H new ATOM 0 HA SER A 56 -2.367 -14.057 6.425 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.088 -14.799 5.843 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.422 -13.134 5.645 1.00 0.00 H new ATOM 0 HG SER A 56 0.944 -13.968 7.743 1.00 0.00 H new ATOM 813 N LEU A 57 -1.884 -11.053 5.398 1.00 0.00 N ATOM 814 CA LEU A 57 -2.102 -9.633 5.609 1.00 0.00 C ATOM 815 C LEU A 57 -3.591 -9.318 5.687 1.00 0.00 C ATOM 816 O LEU A 57 -3.995 -8.267 6.175 1.00 0.00 O ATOM 817 CB LEU A 57 -1.432 -8.831 4.509 1.00 0.00 C ATOM 818 CG LEU A 57 0.063 -8.550 4.721 1.00 0.00 C ATOM 819 CD1 LEU A 57 0.845 -9.827 4.991 1.00 0.00 C ATOM 820 CD2 LEU A 57 0.642 -7.840 3.514 1.00 0.00 C ATOM 0 H LEU A 57 -1.649 -11.290 4.434 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.654 -9.351 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.555 -9.364 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.953 -7.879 4.407 1.00 0.00 H new ATOM 0 HG LEU A 57 0.153 -7.909 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.898 -9.585 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.457 -10.308 5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.741 -10.503 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.702 -7.648 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.520 -8.466 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.121 -6.895 3.363 1.00 0.00 H new ATOM 832 N VAL A 58 -4.396 -10.222 5.153 1.00 0.00 N ATOM 833 CA VAL A 58 -5.842 -10.067 5.155 1.00 0.00 C ATOM 834 C VAL A 58 -6.460 -10.721 6.385 1.00 0.00 C ATOM 835 O VAL A 58 -7.557 -10.355 6.804 1.00 0.00 O ATOM 836 CB VAL A 58 -6.478 -10.690 3.892 1.00 0.00 C ATOM 837 CG1 VAL A 58 -6.388 -12.208 3.930 1.00 0.00 C ATOM 838 CG2 VAL A 58 -7.923 -10.254 3.753 1.00 0.00 C ATOM 0 H VAL A 58 -4.068 -11.079 4.708 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.044 -8.996 5.168 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.921 -10.335 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.843 -12.622 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.342 -12.509 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.915 -12.582 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.354 -10.703 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.486 -10.577 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.969 -9.168 3.673 1.00 0.00 H new ATOM 848 N GLN A 59 -5.747 -11.677 6.973 1.00 0.00 N ATOM 849 CA GLN A 59 -6.308 -12.477 8.043 1.00 0.00 C ATOM 850 C GLN A 59 -6.626 -11.645 9.251 1.00 0.00 C ATOM 851 O GLN A 59 -7.708 -11.771 9.828 1.00 0.00 O ATOM 852 CB GLN A 59 -5.356 -13.599 8.401 1.00 0.00 C ATOM 853 CG GLN A 59 -5.069 -14.485 7.220 1.00 0.00 C ATOM 854 CD GLN A 59 -5.927 -15.730 7.173 1.00 0.00 C ATOM 855 OE1 GLN A 59 -6.340 -16.258 8.204 1.00 0.00 O ATOM 856 NE2 GLN A 59 -6.199 -16.208 5.971 1.00 0.00 N ATOM 0 H GLN A 59 -4.786 -11.911 6.725 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.247 -12.904 7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.423 -13.178 8.775 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.783 -14.195 9.207 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.221 -13.915 6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.019 -14.778 7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.836 -15.739 5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.772 -17.046 5.873 1.00 0.00 H new ATOM 865 N ASN A 60 -5.714 -10.780 9.625 1.00 0.00 N ATOM 866 CA ASN A 60 -5.989 -9.927 10.769 1.00 0.00 C ATOM 867 C ASN A 60 -5.097 -8.666 10.932 1.00 0.00 C ATOM 868 O ASN A 60 -5.095 -8.059 12.005 1.00 0.00 O ATOM 869 CB ASN A 60 -5.880 -10.804 12.012 1.00 0.00 C ATOM 870 CG ASN A 60 -6.467 -10.186 13.267 1.00 0.00 C ATOM 871 OD1 ASN A 60 -7.380 -9.358 13.216 1.00 0.00 O ATOM 872 ND2 ASN A 60 -5.950 -10.604 14.409 1.00 0.00 N ATOM 0 H ASN A 60 -4.807 -10.645 9.178 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.984 -9.510 10.611 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.383 -11.752 11.819 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.829 -11.031 12.191 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.305 -10.240 15.293 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.195 -11.290 14.406 1.00 0.00 H new ATOM 879 N PRO A 61 -4.322 -8.226 9.925 1.00 0.00 N ATOM 880 CA PRO A 61 -3.947 -6.816 9.810 1.00 0.00 C ATOM 881 C PRO A 61 -4.948 -6.039 8.950 1.00 0.00 C ATOM 882 O PRO A 61 -5.585 -6.606 8.059 1.00 0.00 O ATOM 883 CB PRO A 61 -2.573 -6.856 9.123 1.00 0.00 C ATOM 884 CG PRO A 61 -2.231 -8.305 9.006 1.00 0.00 C ATOM 885 CD PRO A 61 -3.549 -9.029 8.986 1.00 0.00 C ATOM 0 HA PRO A 61 -3.931 -6.314 10.778 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.610 -6.380 8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.825 -6.322 9.709 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.662 -8.502 8.098 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.616 -8.632 9.845 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.996 -9.045 7.992 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.455 -10.066 9.310 1.00 0.00 H new ATOM 893 N PRO A 62 -5.109 -4.733 9.218 1.00 0.00 N ATOM 894 CA PRO A 62 -5.999 -3.858 8.441 1.00 0.00 C ATOM 895 C PRO A 62 -5.524 -3.656 7.006 1.00 0.00 C ATOM 896 O PRO A 62 -6.289 -3.221 6.151 1.00 0.00 O ATOM 897 CB PRO A 62 -5.956 -2.526 9.184 1.00 0.00 C ATOM 898 CG PRO A 62 -5.407 -2.849 10.524 1.00 0.00 C ATOM 899 CD PRO A 62 -4.471 -4.004 10.319 1.00 0.00 C ATOM 0 HA PRO A 62 -6.996 -4.291 8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.326 -1.804 8.663 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.950 -2.085 9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.883 -1.992 10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.204 -3.111 11.220 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.466 -3.672 10.058 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.381 -4.618 11.215 1.00 0.00 H new ATOM 907 N GLN A 63 -4.260 -4.005 6.762 1.00 0.00 N ATOM 908 CA GLN A 63 -3.575 -3.725 5.496 1.00 0.00 C ATOM 909 C GLN A 63 -4.393 -4.081 4.256 1.00 0.00 C ATOM 910 O GLN A 63 -4.234 -3.465 3.203 1.00 0.00 O ATOM 911 CB GLN A 63 -2.247 -4.442 5.441 1.00 0.00 C ATOM 912 CG GLN A 63 -1.302 -3.660 4.582 1.00 0.00 C ATOM 913 CD GLN A 63 -0.251 -4.483 3.926 1.00 0.00 C ATOM 914 OE1 GLN A 63 -0.564 -4.899 2.727 1.00 0.00 O flip ATOM 915 NE2 GLN A 63 0.829 -4.719 4.466 1.00 0.00 N flip ATOM 0 H GLN A 63 -3.677 -4.494 7.442 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.427 -2.645 5.478 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.838 -4.553 6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.378 -5.446 5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.873 -3.140 3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.821 -2.896 5.193 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.017 -4.368 5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.536 -5.266 3.975 1.00 0.00 H new ATOM 924 N LEU A 64 -5.245 -5.077 4.386 1.00 0.00 N ATOM 925 CA LEU A 64 -6.134 -5.501 3.315 1.00 0.00 C ATOM 926 C LEU A 64 -6.823 -4.326 2.630 1.00 0.00 C ATOM 927 O LEU A 64 -6.805 -4.221 1.404 1.00 0.00 O ATOM 928 CB LEU A 64 -7.196 -6.435 3.875 1.00 0.00 C ATOM 929 CG LEU A 64 -8.436 -6.554 3.002 1.00 0.00 C ATOM 930 CD1 LEU A 64 -8.170 -7.438 1.791 1.00 0.00 C ATOM 931 CD2 LEU A 64 -9.635 -7.044 3.799 1.00 0.00 C ATOM 0 H LEU A 64 -5.344 -5.621 5.243 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.521 -6.010 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.761 -7.426 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.492 -6.082 4.863 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.680 -5.557 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.073 -7.506 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.365 -7.007 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.881 -8.435 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.503 -7.117 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.415 -8.025 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.848 -6.342 4.605 1.00 0.00 H new ATOM 943 N GLY A 65 -7.409 -3.457 3.442 1.00 0.00 N ATOM 944 CA GLY A 65 -8.241 -2.365 2.948 1.00 0.00 C ATOM 945 C GLY A 65 -7.653 -1.621 1.772 1.00 0.00 C ATOM 946 O GLY A 65 -8.343 -1.336 0.790 1.00 0.00 O ATOM 0 H GLY A 65 -7.323 -3.487 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.213 -2.765 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.414 -1.659 3.760 1.00 0.00 H new ATOM 950 N ARG A 66 -6.377 -1.317 1.866 1.00 0.00 N ATOM 951 CA ARG A 66 -5.714 -0.516 0.869 1.00 0.00 C ATOM 952 C ARG A 66 -5.337 -1.365 -0.334 1.00 0.00 C ATOM 953 O ARG A 66 -5.398 -0.901 -1.473 1.00 0.00 O ATOM 954 CB ARG A 66 -4.518 0.184 1.497 1.00 0.00 C ATOM 955 CG ARG A 66 -3.178 -0.304 1.020 1.00 0.00 C ATOM 956 CD ARG A 66 -2.585 -1.326 1.961 1.00 0.00 C ATOM 957 NE ARG A 66 -1.130 -1.400 1.813 1.00 0.00 N ATOM 958 CZ ARG A 66 -0.269 -1.002 2.752 1.00 0.00 C ATOM 959 NH1 ARG A 66 -0.714 -0.577 3.925 1.00 0.00 N1+ ATOM 960 NH2 ARG A 66 1.041 -1.048 2.521 1.00 0.00 N ATOM 0 H ARG A 66 -5.775 -1.618 2.633 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.390 0.255 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.593 1.252 1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.570 0.060 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.283 -0.742 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.496 0.541 0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.836 -1.066 2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.024 -2.304 1.763 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.753 -1.777 0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.716 -0.553 4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.054 -0.273 4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.389 -1.388 1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.697 -0.743 3.240 1.00 0.00 H new ATOM 974 N ILE A 67 -4.975 -2.614 -0.064 1.00 0.00 N ATOM 975 CA ILE A 67 -4.639 -3.581 -1.098 1.00 0.00 C ATOM 976 C ILE A 67 -5.720 -3.677 -2.170 1.00 0.00 C ATOM 977 O ILE A 67 -5.418 -3.632 -3.363 1.00 0.00 O ATOM 978 CB ILE A 67 -4.431 -4.967 -0.476 1.00 0.00 C ATOM 979 CG1 ILE A 67 -3.405 -4.870 0.652 1.00 0.00 C ATOM 980 CG2 ILE A 67 -3.997 -5.970 -1.533 1.00 0.00 C ATOM 981 CD1 ILE A 67 -3.184 -6.162 1.393 1.00 0.00 C ATOM 0 H ILE A 67 -4.907 -2.984 0.884 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.720 -3.235 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.374 -5.320 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.455 -4.534 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.730 -4.108 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.855 -6.947 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.764 -6.041 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.060 -5.642 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.442 -6.009 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.122 -6.490 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.827 -6.923 0.699 1.00 0.00 H new ATOM 993 N LEU A 68 -6.973 -3.789 -1.730 1.00 0.00 N ATOM 994 CA LEU A 68 -8.111 -3.989 -2.633 1.00 0.00 C ATOM 995 C LEU A 68 -8.080 -3.057 -3.840 1.00 0.00 C ATOM 996 O LEU A 68 -8.123 -3.512 -4.986 1.00 0.00 O ATOM 997 CB LEU A 68 -9.448 -3.783 -1.907 1.00 0.00 C ATOM 998 CG LEU A 68 -9.928 -4.918 -1.004 1.00 0.00 C ATOM 999 CD1 LEU A 68 -9.286 -6.233 -1.400 1.00 0.00 C ATOM 1000 CD2 LEU A 68 -9.663 -4.591 0.457 1.00 0.00 C ATOM 0 H LEU A 68 -7.229 -3.744 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.024 -5.019 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.370 -2.879 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.217 -3.599 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.005 -5.025 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.644 -7.025 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.549 -6.471 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.203 -6.150 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.012 -5.412 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.593 -4.448 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.193 -3.678 0.727 1.00 0.00 H new ATOM 1012 N LYS A 69 -8.021 -1.756 -3.589 1.00 0.00 N ATOM 1013 CA LYS A 69 -8.171 -0.793 -4.667 1.00 0.00 C ATOM 1014 C LYS A 69 -6.845 -0.472 -5.355 1.00 0.00 C ATOM 1015 O LYS A 69 -6.673 -0.761 -6.539 1.00 0.00 O ATOM 1016 CB LYS A 69 -8.802 0.496 -4.130 1.00 0.00 C ATOM 1017 CG LYS A 69 -10.231 0.328 -3.628 1.00 0.00 C ATOM 1018 CD LYS A 69 -11.170 -0.093 -4.748 1.00 0.00 C ATOM 1019 CE LYS A 69 -12.628 -0.046 -4.317 1.00 0.00 C ATOM 1020 NZ LYS A 69 -12.926 -0.988 -3.204 1.00 0.00 N1+ ATOM 0 H LYS A 69 -7.873 -1.350 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.822 -1.246 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.185 0.878 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.792 1.249 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.253 -0.418 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.578 1.266 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.025 0.561 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.920 -1.104 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.879 0.968 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.263 -0.285 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.932 -0.917 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.714 -1.960 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.341 -0.746 -2.379 1.00 0.00 H new ATOM 1034 N TYR A 70 -5.906 0.123 -4.627 1.00 0.00 N ATOM 1035 CA TYR A 70 -4.657 0.556 -5.249 1.00 0.00 C ATOM 1036 C TYR A 70 -3.413 0.007 -4.552 1.00 0.00 C ATOM 1037 O TYR A 70 -2.297 0.290 -4.979 1.00 0.00 O ATOM 1038 CB TYR A 70 -4.590 2.084 -5.292 1.00 0.00 C ATOM 1039 CG TYR A 70 -5.754 2.730 -6.011 1.00 0.00 C ATOM 1040 CD1 TYR A 70 -5.831 2.722 -7.398 1.00 0.00 C ATOM 1041 CD2 TYR A 70 -6.777 3.346 -5.301 1.00 0.00 C ATOM 1042 CE1 TYR A 70 -6.894 3.308 -8.057 1.00 0.00 C ATOM 1043 CE2 TYR A 70 -7.844 3.934 -5.953 1.00 0.00 C ATOM 1044 CZ TYR A 70 -7.899 3.912 -7.331 1.00 0.00 C ATOM 1045 OH TYR A 70 -8.962 4.498 -7.983 1.00 0.00 O ATOM 0 H TYR A 70 -5.980 0.314 -3.628 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.661 0.150 -6.260 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.550 2.465 -4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.663 2.383 -5.781 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.047 2.250 -7.971 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.738 3.366 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.938 3.293 -9.136 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.631 4.409 -5.386 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.581 4.877 -7.324 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.620 -0.768 -3.477 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.542 -1.164 -2.553 1.00 0.00 C ATOM 1057 C HIS A 71 -1.654 0.037 -2.240 1.00 0.00 C ATOM 1058 O HIS A 71 -0.430 -0.018 -2.348 1.00 0.00 O ATOM 1059 CB HIS A 71 -1.728 -2.395 -3.038 1.00 0.00 C ATOM 1060 CG HIS A 71 -1.132 -2.315 -4.417 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.710 -2.912 -5.514 1.00 0.00 N ATOM 1062 CD2 HIS A 71 0.009 -1.740 -4.866 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.955 -2.709 -6.577 1.00 0.00 C ATOM 1064 NE2 HIS A 71 0.095 -2.001 -6.211 1.00 0.00 N ATOM 0 H HIS A 71 -4.536 -1.138 -3.222 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.014 -1.496 -1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.919 -2.568 -2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.379 -3.269 -2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.719 -1.180 -4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.162 -3.063 -7.576 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.849 -1.697 -6.827 1.00 0.00 H new ATOM 1073 N VAL A 72 -2.306 1.109 -1.798 1.00 0.00 N ATOM 1074 CA VAL A 72 -1.688 2.424 -1.724 1.00 0.00 C ATOM 1075 C VAL A 72 -1.751 3.016 -0.314 1.00 0.00 C ATOM 1076 O VAL A 72 -2.619 2.668 0.484 1.00 0.00 O ATOM 1077 CB VAL A 72 -2.407 3.379 -2.702 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -3.832 3.653 -2.238 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -1.649 4.679 -2.875 1.00 0.00 C ATOM 0 H VAL A 72 -3.276 1.088 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.638 2.310 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.443 2.884 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.320 4.328 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.386 2.715 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.811 4.112 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.187 5.324 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.560 5.179 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.654 4.471 -3.269 1.00 0.00 H new ATOM 1089 N VAL A 73 -0.817 3.906 -0.023 1.00 0.00 N ATOM 1090 CA VAL A 73 -0.839 4.697 1.198 1.00 0.00 C ATOM 1091 C VAL A 73 -0.763 6.180 0.850 1.00 0.00 C ATOM 1092 O VAL A 73 0.105 6.603 0.094 1.00 0.00 O ATOM 1093 CB VAL A 73 0.315 4.323 2.165 1.00 0.00 C ATOM 1094 CG1 VAL A 73 1.638 4.182 1.432 1.00 0.00 C ATOM 1095 CG2 VAL A 73 0.452 5.369 3.250 1.00 0.00 C ATOM 0 H VAL A 73 -0.019 4.102 -0.628 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.775 4.480 1.712 1.00 0.00 H new ATOM 0 HB VAL A 73 0.065 3.360 2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.422 3.920 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.555 3.399 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.888 5.126 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.266 5.093 3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.667 6.337 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.478 5.432 3.815 1.00 0.00 H new ATOM 1105 N ALA A 74 -1.690 6.961 1.381 1.00 0.00 N ATOM 1106 CA ALA A 74 -1.710 8.397 1.143 1.00 0.00 C ATOM 1107 C ALA A 74 -0.489 9.063 1.728 1.00 0.00 C ATOM 1108 O ALA A 74 -0.008 8.683 2.795 1.00 0.00 O ATOM 1109 CB ALA A 74 -2.952 9.011 1.744 1.00 0.00 C ATOM 0 H ALA A 74 -2.442 6.624 1.982 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.711 8.554 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.953 10.085 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.836 8.563 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.965 8.829 2.819 1.00 0.00 H new ATOM 1115 N GLY A 75 -0.010 10.065 1.027 1.00 0.00 N ATOM 1116 CA GLY A 75 1.181 10.750 1.443 1.00 0.00 C ATOM 1117 C GLY A 75 2.333 10.428 0.528 1.00 0.00 C ATOM 1118 O GLY A 75 2.922 9.368 0.629 1.00 0.00 O ATOM 0 H GLY A 75 -0.430 10.420 0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.004 11.826 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.432 10.464 2.465 1.00 0.00 H new ATOM 1122 N ALA A 76 2.608 11.327 -0.397 1.00 0.00 N ATOM 1123 CA ALA A 76 3.707 11.174 -1.344 1.00 0.00 C ATOM 1124 C ALA A 76 5.054 11.111 -0.634 1.00 0.00 C ATOM 1125 O ALA A 76 5.624 12.140 -0.271 1.00 0.00 O ATOM 1126 CB ALA A 76 3.704 12.327 -2.329 1.00 0.00 C ATOM 0 H ALA A 76 2.076 12.189 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 76 3.560 10.234 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.527 12.206 -3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.760 12.338 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.823 13.267 -1.790 1.00 0.00 H new ATOM 1132 N TYR A 77 5.560 9.905 -0.441 1.00 0.00 N ATOM 1133 CA TYR A 77 6.850 9.734 0.222 1.00 0.00 C ATOM 1134 C TYR A 77 7.907 9.172 -0.728 1.00 0.00 C ATOM 1135 O TYR A 77 7.831 8.005 -1.119 1.00 0.00 O ATOM 1136 CB TYR A 77 6.769 8.774 1.414 1.00 0.00 C ATOM 1137 CG TYR A 77 5.501 8.804 2.241 1.00 0.00 C ATOM 1138 CD1 TYR A 77 5.129 9.927 2.964 1.00 0.00 C ATOM 1139 CD2 TYR A 77 4.700 7.670 2.330 1.00 0.00 C ATOM 1140 CE1 TYR A 77 3.989 9.924 3.749 1.00 0.00 C ATOM 1141 CE2 TYR A 77 3.557 7.659 3.104 1.00 0.00 C ATOM 1142 CZ TYR A 77 3.207 8.788 3.815 1.00 0.00 C ATOM 1143 OH TYR A 77 2.076 8.782 4.602 1.00 0.00 O ATOM 0 H TYR A 77 5.107 9.037 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 77 7.128 10.732 0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.905 7.759 1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.609 8.985 2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.738 10.818 2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.978 6.781 1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.712 10.806 4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.941 6.773 3.152 1.00 0.00 H new ATOM 0 HH TYR A 77 1.283 8.684 4.034 1.00 0.00 H new ATOM 1153 N LYS A 78 8.889 9.994 -1.094 1.00 0.00 N ATOM 1154 CA LYS A 78 10.090 9.536 -1.727 1.00 0.00 C ATOM 1155 C LYS A 78 10.798 8.556 -0.814 1.00 0.00 C ATOM 1156 O LYS A 78 10.575 8.571 0.394 1.00 0.00 O ATOM 1157 CB LYS A 78 10.978 10.734 -1.979 1.00 0.00 C ATOM 1158 CG LYS A 78 10.542 11.480 -3.201 1.00 0.00 C ATOM 1159 CD LYS A 78 10.761 10.624 -4.377 1.00 0.00 C ATOM 1160 CE LYS A 78 10.420 11.383 -5.603 1.00 0.00 C ATOM 1161 NZ LYS A 78 11.479 12.357 -5.984 1.00 0.00 N1+ ATOM 0 H LYS A 78 8.857 11.003 -0.951 1.00 0.00 H new ATOM 0 HA LYS A 78 9.858 9.038 -2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.952 11.398 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.011 10.406 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.490 11.753 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.105 12.408 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.800 10.297 -4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.146 9.727 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.260 10.686 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.481 11.914 -5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.285 12.725 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.488 13.144 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.405 11.883 -5.978 1.00 0.00 H new ATOM 1175 N ALA A 79 11.684 7.750 -1.363 1.00 0.00 N ATOM 1176 CA ALA A 79 12.410 6.774 -0.566 1.00 0.00 C ATOM 1177 C ALA A 79 13.233 7.494 0.487 1.00 0.00 C ATOM 1178 O ALA A 79 13.549 6.934 1.539 1.00 0.00 O ATOM 1179 CB ALA A 79 13.299 5.904 -1.442 1.00 0.00 C ATOM 0 H ALA A 79 11.920 7.749 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 79 11.692 6.118 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.830 5.184 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.685 5.373 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.020 6.532 -1.966 1.00 0.00 H new ATOM 1185 N THR A 80 13.542 8.757 0.208 1.00 0.00 N ATOM 1186 CA THR A 80 14.337 9.553 1.135 1.00 0.00 C ATOM 1187 C THR A 80 13.513 9.928 2.363 1.00 0.00 C ATOM 1188 O THR A 80 14.048 10.038 3.465 1.00 0.00 O ATOM 1189 CB THR A 80 14.904 10.837 0.481 1.00 0.00 C ATOM 1190 OG1 THR A 80 15.665 11.584 1.439 1.00 0.00 O ATOM 1191 CG2 THR A 80 13.797 11.718 -0.077 1.00 0.00 C ATOM 0 H THR A 80 13.258 9.245 -0.641 1.00 0.00 H new ATOM 0 HA THR A 80 15.182 8.932 1.433 1.00 0.00 H new ATOM 0 HB THR A 80 15.546 10.528 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.020 12.393 1.015 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.234 12.609 -0.528 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.238 11.166 -0.833 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.124 12.011 0.729 1.00 0.00 H new ATOM 1199 N ASP A 81 12.206 10.087 2.175 1.00 0.00 N ATOM 1200 CA ASP A 81 11.328 10.495 3.260 1.00 0.00 C ATOM 1201 C ASP A 81 11.125 9.329 4.220 1.00 0.00 C ATOM 1202 O ASP A 81 11.183 9.492 5.439 1.00 0.00 O ATOM 1203 CB ASP A 81 9.989 10.975 2.691 1.00 0.00 C ATOM 1204 CG ASP A 81 9.145 11.717 3.708 1.00 0.00 C ATOM 1205 OD1 ASP A 81 9.672 12.645 4.358 1.00 0.00 O ATOM 1206 OD2 ASP A 81 7.943 11.408 3.831 1.00 0.00 O1- ATOM 0 H ASP A 81 11.735 9.939 1.282 1.00 0.00 H new ATOM 0 HA ASP A 81 11.782 11.320 3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.176 11.627 1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.429 10.116 2.320 1.00 0.00 H new ATOM 1211 N LEU A 82 10.908 8.149 3.647 1.00 0.00 N ATOM 1212 CA LEU A 82 10.748 6.924 4.404 1.00 0.00 C ATOM 1213 C LEU A 82 11.985 6.559 5.207 1.00 0.00 C ATOM 1214 O LEU A 82 11.907 6.362 6.416 1.00 0.00 O ATOM 1215 CB LEU A 82 10.408 5.804 3.433 1.00 0.00 C ATOM 1216 CG LEU A 82 9.025 5.914 2.801 1.00 0.00 C ATOM 1217 CD1 LEU A 82 8.154 6.920 3.542 1.00 0.00 C ATOM 1218 CD2 LEU A 82 9.133 6.255 1.335 1.00 0.00 C ATOM 0 H LEU A 82 10.839 8.021 2.637 1.00 0.00 H new ATOM 0 HA LEU A 82 9.946 7.074 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.156 5.788 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.479 4.851 3.958 1.00 0.00 H new ATOM 0 HG LEU A 82 8.539 4.942 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.175 6.974 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.036 6.605 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.627 7.902 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.135 6.329 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.649 7.208 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.694 5.475 0.820 1.00 0.00 H new ATOM 1230 N LYS A 83 13.118 6.454 4.533 1.00 0.00 N ATOM 1231 CA LYS A 83 14.355 6.051 5.187 1.00 0.00 C ATOM 1232 C LYS A 83 14.757 7.049 6.265 1.00 0.00 C ATOM 1233 O LYS A 83 15.299 6.668 7.303 1.00 0.00 O ATOM 1234 CB LYS A 83 15.465 5.912 4.162 1.00 0.00 C ATOM 1235 CG LYS A 83 16.728 5.291 4.724 1.00 0.00 C ATOM 1236 CD LYS A 83 17.730 4.972 3.629 1.00 0.00 C ATOM 1237 CE LYS A 83 18.917 4.186 4.168 1.00 0.00 C ATOM 1238 NZ LYS A 83 19.678 4.946 5.195 1.00 0.00 N1+ ATOM 0 H LYS A 83 13.209 6.642 3.534 1.00 0.00 H new ATOM 0 HA LYS A 83 14.187 5.086 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.108 5.303 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 83 15.702 6.896 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.180 5.973 5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 83 16.476 4.378 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.240 4.398 2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 83 18.082 5.899 3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 83 18.564 3.250 4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.582 3.926 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.523 4.407 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.966 5.865 4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.077 5.098 6.030 1.00 0.00 H new ATOM 1252 N ARG A 84 14.482 8.322 6.007 1.00 0.00 N ATOM 1253 CA ARG A 84 14.682 9.377 6.984 1.00 0.00 C ATOM 1254 C ARG A 84 14.013 9.010 8.298 1.00 0.00 C ATOM 1255 O ARG A 84 14.584 9.162 9.379 1.00 0.00 O ATOM 1256 CB ARG A 84 14.077 10.659 6.454 1.00 0.00 C ATOM 1257 CG ARG A 84 15.015 11.839 6.542 1.00 0.00 C ATOM 1258 CD ARG A 84 14.817 12.766 5.366 1.00 0.00 C ATOM 1259 NE ARG A 84 15.700 13.928 5.426 1.00 0.00 N ATOM 1260 CZ ARG A 84 15.495 15.060 4.753 1.00 0.00 C ATOM 1261 NH1 ARG A 84 14.431 15.195 3.969 1.00 0.00 N1+ ATOM 1262 NH2 ARG A 84 16.356 16.060 4.869 1.00 0.00 N ATOM 0 H ARG A 84 14.114 8.649 5.113 1.00 0.00 H new ATOM 0 HA ARG A 84 15.750 9.509 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.784 10.512 5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.168 10.883 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.840 12.380 7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.047 11.489 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.000 12.220 4.440 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.780 13.101 5.340 1.00 0.00 H new ATOM 0 HE ARG A 84 16.526 13.869 6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.764 14.429 3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.282 16.065 3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.173 15.962 5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.202 16.928 4.355 1.00 0.00 H new ATOM 1276 N MET A 85 12.797 8.511 8.174 1.00 0.00 N ATOM 1277 CA MET A 85 12.010 8.089 9.324 1.00 0.00 C ATOM 1278 C MET A 85 12.477 6.738 9.847 1.00 0.00 C ATOM 1279 O MET A 85 12.515 6.504 11.056 1.00 0.00 O ATOM 1280 CB MET A 85 10.532 7.987 8.954 1.00 0.00 C ATOM 1281 CG MET A 85 9.912 9.292 8.507 1.00 0.00 C ATOM 1282 SD MET A 85 8.182 9.106 8.030 1.00 0.00 S ATOM 1283 CE MET A 85 7.794 10.775 7.509 1.00 0.00 C ATOM 0 H MET A 85 12.326 8.386 7.278 1.00 0.00 H new ATOM 0 HA MET A 85 12.146 8.840 10.102 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.419 7.252 8.157 1.00 0.00 H new ATOM 0 HB3 MET A 85 9.979 7.611 9.815 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.987 10.021 9.314 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.477 9.690 7.664 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.755 10.822 7.184 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.945 11.461 8.343 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.446 11.059 6.683 1.00 0.00 H new ATOM 1293 N GLY A 86 12.825 5.849 8.924 1.00 0.00 N ATOM 1294 CA GLY A 86 13.206 4.496 9.295 1.00 0.00 C ATOM 1295 C GLY A 86 11.999 3.591 9.467 1.00 0.00 C ATOM 1296 O GLY A 86 12.120 2.446 9.896 1.00 0.00 O ATOM 0 H GLY A 86 12.851 6.040 7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.863 4.082 8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.775 4.522 10.224 1.00 0.00 H new ATOM 1300 N ILE A 87 10.835 4.117 9.127 1.00 0.00 N ATOM 1301 CA ILE A 87 9.579 3.417 9.228 1.00 0.00 C ATOM 1302 C ILE A 87 8.563 4.158 8.375 1.00 0.00 C ATOM 1303 O ILE A 87 8.746 5.334 8.055 1.00 0.00 O ATOM 1304 CB ILE A 87 9.100 3.322 10.695 1.00 0.00 C ATOM 1305 CG1 ILE A 87 8.277 2.055 10.929 1.00 0.00 C ATOM 1306 CG2 ILE A 87 8.264 4.531 11.044 1.00 0.00 C ATOM 1307 CD1 ILE A 87 8.124 1.684 12.383 1.00 0.00 C ATOM 0 H ILE A 87 10.742 5.066 8.765 1.00 0.00 H new ATOM 0 HA ILE A 87 9.699 2.394 8.872 1.00 0.00 H new ATOM 0 HB ILE A 87 9.983 3.285 11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.287 2.191 10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.747 1.226 10.400 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.931 4.456 12.079 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.861 5.434 10.919 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.396 4.576 10.386 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.528 0.775 12.466 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.108 1.514 12.821 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.625 2.494 12.915 1.00 0.00 H new ATOM 1319 N VAL A 88 7.526 3.465 7.990 1.00 0.00 N ATOM 1320 CA VAL A 88 6.471 4.038 7.184 1.00 0.00 C ATOM 1321 C VAL A 88 5.125 3.736 7.800 1.00 0.00 C ATOM 1322 O VAL A 88 4.917 2.646 8.317 1.00 0.00 O ATOM 1323 CB VAL A 88 6.516 3.458 5.764 1.00 0.00 C ATOM 1324 CG1 VAL A 88 7.713 3.985 5.026 1.00 0.00 C ATOM 1325 CG2 VAL A 88 6.583 1.948 5.811 1.00 0.00 C ATOM 0 H VAL A 88 7.384 2.483 8.225 1.00 0.00 H new ATOM 0 HA VAL A 88 6.617 5.117 7.140 1.00 0.00 H new ATOM 0 HB VAL A 88 5.607 3.760 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.734 3.566 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.654 5.072 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.622 3.700 5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.614 1.553 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.480 1.640 6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.703 1.561 6.324 1.00 0.00 H new ATOM 1335 N THR A 89 4.214 4.684 7.767 1.00 0.00 N ATOM 1336 CA THR A 89 2.883 4.421 8.260 1.00 0.00 C ATOM 1337 C THR A 89 1.888 4.381 7.117 1.00 0.00 C ATOM 1338 O THR A 89 1.798 5.302 6.307 1.00 0.00 O ATOM 1339 CB THR A 89 2.421 5.437 9.310 1.00 0.00 C ATOM 1340 OG1 THR A 89 3.485 5.699 10.236 1.00 0.00 O ATOM 1341 CG2 THR A 89 1.214 4.880 10.056 1.00 0.00 C ATOM 0 H THR A 89 4.367 5.627 7.410 1.00 0.00 H new ATOM 0 HA THR A 89 2.926 3.447 8.748 1.00 0.00 H new ATOM 0 HB THR A 89 2.144 6.368 8.815 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.185 6.350 10.904 1.00 0.00 H new ATOM 0 HG21 THR A 89 0.884 5.601 10.804 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.405 4.693 9.350 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.489 3.947 10.548 1.00 0.00 H new ATOM 1349 N SER A 90 1.162 3.288 7.071 1.00 0.00 N ATOM 1350 CA SER A 90 0.196 3.020 6.035 1.00 0.00 C ATOM 1351 C SER A 90 -1.043 3.905 6.185 1.00 0.00 C ATOM 1352 O SER A 90 -1.202 4.563 7.211 1.00 0.00 O ATOM 1353 CB SER A 90 -0.170 1.542 6.118 1.00 0.00 C ATOM 1354 OG SER A 90 0.947 0.726 5.799 1.00 0.00 O ATOM 0 H SER A 90 1.229 2.546 7.768 1.00 0.00 H new ATOM 0 HA SER A 90 0.622 3.250 5.058 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.523 1.306 7.122 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.990 1.327 5.433 1.00 0.00 H new ATOM 0 HG SER A 90 1.533 0.654 6.581 1.00 0.00 H new ATOM 1360 N LEU A 91 -1.907 3.929 5.172 1.00 0.00 N ATOM 1361 CA LEU A 91 -3.143 4.700 5.229 1.00 0.00 C ATOM 1362 C LEU A 91 -3.961 4.277 6.450 1.00 0.00 C ATOM 1363 O LEU A 91 -4.567 5.098 7.145 1.00 0.00 O ATOM 1364 CB LEU A 91 -3.959 4.466 3.955 1.00 0.00 C ATOM 1365 CG LEU A 91 -4.889 5.605 3.578 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -4.236 6.927 3.883 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -5.238 5.532 2.110 1.00 0.00 C ATOM 0 H LEU A 91 -1.771 3.420 4.299 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.900 5.759 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.272 4.287 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.550 3.559 4.080 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.804 5.516 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.911 7.738 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.012 6.985 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.311 7.016 3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.905 6.355 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.327 5.605 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.733 4.584 1.901 1.00 0.00 H new ATOM 1379 N GLU A 92 -3.912 2.980 6.709 1.00 0.00 N ATOM 1380 CA GLU A 92 -4.627 2.343 7.806 1.00 0.00 C ATOM 1381 C GLU A 92 -3.944 2.632 9.132 1.00 0.00 C ATOM 1382 O GLU A 92 -4.514 2.439 10.205 1.00 0.00 O ATOM 1383 CB GLU A 92 -4.690 0.825 7.575 1.00 0.00 C ATOM 1384 CG GLU A 92 -3.375 0.205 7.105 1.00 0.00 C ATOM 1385 CD GLU A 92 -3.198 0.229 5.594 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -2.873 1.298 5.045 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -3.347 -0.825 4.954 1.00 0.00 O1- ATOM 0 H GLU A 92 -3.363 2.326 6.151 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.638 2.748 7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.995 0.341 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.462 0.614 6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.545 0.738 7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.325 -0.827 7.452 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.718 3.103 9.043 1.00 0.00 N ATOM 1395 CA GLY A 93 -1.953 3.398 10.226 1.00 0.00 C ATOM 1396 C GLY A 93 -0.955 2.312 10.544 1.00 0.00 C ATOM 1397 O GLY A 93 -0.343 2.318 11.612 1.00 0.00 O ATOM 0 H GLY A 93 -2.235 3.288 8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.428 4.344 10.091 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.629 3.527 11.071 1.00 0.00 H new ATOM 1401 N SER A 94 -0.790 1.366 9.632 1.00 0.00 N ATOM 1402 CA SER A 94 0.152 0.306 9.835 1.00 0.00 C ATOM 1403 C SER A 94 1.577 0.774 9.555 1.00 0.00 C ATOM 1404 O SER A 94 1.904 1.173 8.439 1.00 0.00 O ATOM 1405 CB SER A 94 -0.232 -0.856 8.929 1.00 0.00 C ATOM 1406 OG SER A 94 -1.539 -1.315 9.229 1.00 0.00 O ATOM 0 H SER A 94 -1.301 1.321 8.750 1.00 0.00 H new ATOM 0 HA SER A 94 0.125 -0.015 10.876 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.182 -0.542 7.886 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.482 -1.671 9.052 1.00 0.00 H new ATOM 0 HG SER A 94 -1.768 -2.060 8.635 1.00 0.00 H new ATOM 1412 N THR A 95 2.416 0.719 10.574 1.00 0.00 N ATOM 1413 CA THR A 95 3.822 1.051 10.434 1.00 0.00 C ATOM 1414 C THR A 95 4.639 -0.129 9.917 1.00 0.00 C ATOM 1415 O THR A 95 4.396 -1.282 10.274 1.00 0.00 O ATOM 1416 CB THR A 95 4.412 1.529 11.770 1.00 0.00 C ATOM 1417 OG1 THR A 95 3.517 1.192 12.841 1.00 0.00 O ATOM 1418 CG2 THR A 95 4.662 3.030 11.748 1.00 0.00 C ATOM 0 H THR A 95 2.143 0.444 11.518 1.00 0.00 H new ATOM 0 HA THR A 95 3.879 1.857 9.703 1.00 0.00 H new ATOM 0 HB THR A 95 5.368 1.029 11.926 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.896 1.496 13.692 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.080 3.343 12.705 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.364 3.270 10.950 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.722 3.553 11.574 1.00 0.00 H new ATOM 1426 N ILE A 96 5.590 0.184 9.054 1.00 0.00 N ATOM 1427 CA ILE A 96 6.513 -0.792 8.500 1.00 0.00 C ATOM 1428 C ILE A 96 7.933 -0.226 8.565 1.00 0.00 C ATOM 1429 O ILE A 96 8.178 0.880 8.094 1.00 0.00 O ATOM 1430 CB ILE A 96 6.152 -1.148 7.032 1.00 0.00 C ATOM 1431 CG1 ILE A 96 5.066 -2.226 6.964 1.00 0.00 C ATOM 1432 CG2 ILE A 96 7.376 -1.579 6.250 1.00 0.00 C ATOM 1433 CD1 ILE A 96 3.656 -1.684 7.058 1.00 0.00 C ATOM 0 H ILE A 96 5.745 1.133 8.714 1.00 0.00 H new ATOM 0 HA ILE A 96 6.445 -1.707 9.088 1.00 0.00 H new ATOM 0 HB ILE A 96 5.757 -0.242 6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.172 -2.776 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.225 -2.939 7.773 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.088 -1.821 5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.105 -0.769 6.240 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.817 -2.458 6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.945 -2.508 7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.530 -1.160 8.005 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.476 -0.993 6.234 1.00 0.00 H new ATOM 1445 N PRO A 97 8.885 -0.951 9.162 1.00 0.00 N ATOM 1446 CA PRO A 97 10.246 -0.447 9.345 1.00 0.00 C ATOM 1447 C PRO A 97 11.012 -0.353 8.042 1.00 0.00 C ATOM 1448 O PRO A 97 11.079 -1.303 7.257 1.00 0.00 O ATOM 1449 CB PRO A 97 10.913 -1.461 10.275 1.00 0.00 C ATOM 1450 CG PRO A 97 9.851 -2.437 10.673 1.00 0.00 C ATOM 1451 CD PRO A 97 8.725 -2.309 9.688 1.00 0.00 C ATOM 0 HA PRO A 97 10.234 0.565 9.749 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.736 -1.968 9.770 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.333 -0.966 11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.246 -3.453 10.674 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.501 -2.230 11.684 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.796 -3.057 8.898 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.755 -2.442 10.167 1.00 0.00 H new ATOM 1459 N ILE A 98 11.576 0.814 7.826 1.00 0.00 N ATOM 1460 CA ILE A 98 12.369 1.088 6.657 1.00 0.00 C ATOM 1461 C ILE A 98 13.852 0.924 6.933 1.00 0.00 C ATOM 1462 O ILE A 98 14.380 1.402 7.937 1.00 0.00 O ATOM 1463 CB ILE A 98 12.094 2.509 6.147 1.00 0.00 C ATOM 1464 CG1 ILE A 98 10.650 2.613 5.677 1.00 0.00 C ATOM 1465 CG2 ILE A 98 13.052 2.879 5.032 1.00 0.00 C ATOM 1466 CD1 ILE A 98 10.315 1.672 4.543 1.00 0.00 C ATOM 0 H ILE A 98 11.494 1.605 8.465 1.00 0.00 H new ATOM 0 HA ILE A 98 12.084 0.364 5.893 1.00 0.00 H new ATOM 0 HB ILE A 98 12.252 3.213 6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.987 2.407 6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.453 3.637 5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.836 3.891 4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.076 2.832 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 98 12.933 2.181 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.270 1.801 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.953 1.892 3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.480 0.643 4.863 1.00 0.00 H new ATOM 1478 N HIS A 99 14.504 0.234 6.024 1.00 0.00 N ATOM 1479 CA HIS A 99 15.946 0.046 6.059 1.00 0.00 C ATOM 1480 C HIS A 99 16.509 0.376 4.693 1.00 0.00 C ATOM 1481 O HIS A 99 15.766 0.779 3.796 1.00 0.00 O ATOM 1482 CB HIS A 99 16.327 -1.378 6.454 1.00 0.00 C ATOM 1483 CG HIS A 99 15.819 -1.797 7.798 1.00 0.00 C ATOM 1484 ND1 HIS A 99 14.769 -2.674 7.969 1.00 0.00 N ATOM 1485 CD2 HIS A 99 16.225 -1.455 9.043 1.00 0.00 C ATOM 1486 CE1 HIS A 99 14.549 -2.849 9.257 1.00 0.00 C ATOM 1487 NE2 HIS A 99 15.420 -2.122 9.931 1.00 0.00 N ATOM 0 H HIS A 99 14.049 -0.218 5.231 1.00 0.00 H new ATOM 0 HA HIS A 99 16.365 0.710 6.815 1.00 0.00 H new ATOM 0 HB2 HIS A 99 15.943 -2.067 5.702 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.413 -1.468 6.444 1.00 0.00 H new ATOM 0 HD2 HIS A 99 17.033 -0.782 9.291 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.786 -3.480 9.687 1.00 0.00 H new ATOM 0 HE2 HIS A 99 15.484 -2.065 10.947 1.00 0.00 H new ATOM 1496 N GLY A 100 17.809 0.255 4.542 1.00 0.00 N ATOM 1497 CA GLY A 100 18.413 0.500 3.254 1.00 0.00 C ATOM 1498 C GLY A 100 19.915 0.345 3.277 1.00 0.00 C ATOM 1499 O GLY A 100 20.616 1.114 3.937 1.00 0.00 O ATOM 0 H GLY A 100 18.459 -0.007 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 100 17.992 -0.189 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.161 1.508 2.924 1.00 0.00 H new ATOM 1503 N ASP A 101 20.409 -0.657 2.566 1.00 0.00 N ATOM 1504 CA ASP A 101 21.843 -0.862 2.428 1.00 0.00 C ATOM 1505 C ASP A 101 22.337 -0.016 1.272 1.00 0.00 C ATOM 1506 O ASP A 101 23.271 0.771 1.409 1.00 0.00 O ATOM 1507 CB ASP A 101 22.150 -2.344 2.183 1.00 0.00 C ATOM 1508 CG ASP A 101 23.624 -2.621 1.972 1.00 0.00 C ATOM 1509 OD1 ASP A 101 24.335 -2.878 2.964 1.00 0.00 O ATOM 1510 OD2 ASP A 101 24.074 -2.609 0.809 1.00 0.00 O1- ATOM 0 H ASP A 101 19.836 -1.343 2.074 1.00 0.00 H new ATOM 0 HA ASP A 101 22.352 -0.566 3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 101 21.795 -2.927 3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 101 21.594 -2.684 1.309 1.00 0.00 H new ATOM 1515 N ASN A 102 21.668 -0.174 0.143 1.00 0.00 N ATOM 1516 CA ASN A 102 21.888 0.674 -1.018 1.00 0.00 C ATOM 1517 C ASN A 102 20.538 1.136 -1.571 1.00 0.00 C ATOM 1518 O ASN A 102 20.289 2.341 -1.656 1.00 0.00 O ATOM 1519 CB ASN A 102 22.721 -0.043 -2.088 1.00 0.00 C ATOM 1520 CG ASN A 102 24.203 -0.060 -1.764 1.00 0.00 C ATOM 1521 OD1 ASN A 102 24.721 0.848 -1.115 1.00 0.00 O ATOM 1522 ND2 ASN A 102 24.898 -1.089 -2.218 1.00 0.00 N ATOM 0 H ASN A 102 20.958 -0.893 0.004 1.00 0.00 H new ATOM 0 HA ASN A 102 22.461 1.549 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.365 -1.068 -2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.569 0.448 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 102 25.899 -1.149 -2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 102 24.433 -1.823 -2.753 1.00 0.00 H new ATOM 1529 N PRO A 103 19.629 0.206 -1.945 1.00 0.00 N ATOM 1530 CA PRO A 103 18.248 0.551 -2.249 1.00 0.00 C ATOM 1531 C PRO A 103 17.410 0.593 -0.976 1.00 0.00 C ATOM 1532 O PRO A 103 17.893 0.246 0.103 1.00 0.00 O ATOM 1533 CB PRO A 103 17.814 -0.597 -3.148 1.00 0.00 C ATOM 1534 CG PRO A 103 18.523 -1.769 -2.588 1.00 0.00 C ATOM 1535 CD PRO A 103 19.858 -1.248 -2.133 1.00 0.00 C ATOM 0 HA PRO A 103 18.132 1.532 -2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.733 -0.735 -3.127 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.092 -0.419 -4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.967 -2.204 -1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.641 -2.552 -3.337 1.00 0.00 H new ATOM 0 HD2 PRO A 103 20.178 -1.725 -1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 103 20.634 -1.438 -2.874 1.00 0.00 H new ATOM 1543 N LEU A 104 16.171 1.037 -1.092 1.00 0.00 N ATOM 1544 CA LEU A 104 15.287 1.101 0.058 1.00 0.00 C ATOM 1545 C LEU A 104 14.794 -0.288 0.436 1.00 0.00 C ATOM 1546 O LEU A 104 14.686 -1.180 -0.406 1.00 0.00 O ATOM 1547 CB LEU A 104 14.100 2.017 -0.228 1.00 0.00 C ATOM 1548 CG LEU A 104 13.255 2.402 0.983 1.00 0.00 C ATOM 1549 CD1 LEU A 104 13.945 3.476 1.807 1.00 0.00 C ATOM 1550 CD2 LEU A 104 11.892 2.872 0.533 1.00 0.00 C ATOM 0 H LEU A 104 15.756 1.357 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 104 15.852 1.510 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.473 2.930 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.455 1.528 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 104 13.134 1.522 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.323 3.733 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.908 3.104 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.100 4.363 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.295 3.145 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.003 3.740 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.393 2.071 -0.012 1.00 0.00 H new ATOM 1562 N GLU A 105 14.477 -0.447 1.705 1.00 0.00 N ATOM 1563 CA GLU A 105 14.083 -1.729 2.256 1.00 0.00 C ATOM 1564 C GLU A 105 12.812 -1.563 3.059 1.00 0.00 C ATOM 1565 O GLU A 105 12.815 -0.991 4.151 1.00 0.00 O ATOM 1566 CB GLU A 105 15.190 -2.282 3.145 1.00 0.00 C ATOM 1567 CG GLU A 105 16.474 -2.580 2.400 1.00 0.00 C ATOM 1568 CD GLU A 105 16.570 -4.031 1.970 1.00 0.00 C ATOM 1569 OE1 GLU A 105 16.333 -4.923 2.813 1.00 0.00 O ATOM 1570 OE2 GLU A 105 16.891 -4.290 0.795 1.00 0.00 O1- ATOM 0 H GLU A 105 14.485 0.312 2.386 1.00 0.00 H new ATOM 0 HA GLU A 105 13.907 -2.430 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.399 -1.565 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.837 -3.195 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.538 -1.939 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.325 -2.335 3.036 1.00 0.00 H new ATOM 1577 N VAL A 106 11.729 -2.049 2.502 1.00 0.00 N ATOM 1578 CA VAL A 106 10.420 -1.894 3.105 1.00 0.00 C ATOM 1579 C VAL A 106 9.925 -3.226 3.687 1.00 0.00 C ATOM 1580 O VAL A 106 9.739 -4.194 2.953 1.00 0.00 O ATOM 1581 CB VAL A 106 9.439 -1.285 2.062 1.00 0.00 C ATOM 1582 CG1 VAL A 106 9.887 -1.619 0.644 1.00 0.00 C ATOM 1583 CG2 VAL A 106 8.001 -1.734 2.278 1.00 0.00 C ATOM 0 H VAL A 106 11.726 -2.562 1.621 1.00 0.00 H new ATOM 0 HA VAL A 106 10.479 -1.202 3.945 1.00 0.00 H new ATOM 0 HB VAL A 106 9.463 -0.204 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.188 -1.184 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.883 -1.211 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.911 -2.701 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.360 -1.279 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.943 -2.819 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.668 -1.425 3.269 1.00 0.00 H new ATOM 1593 N LYS A 107 9.770 -3.249 5.027 1.00 0.00 N ATOM 1594 CA LYS A 107 9.355 -4.424 5.830 1.00 0.00 C ATOM 1595 C LYS A 107 10.253 -5.646 5.620 1.00 0.00 C ATOM 1596 O LYS A 107 11.066 -5.977 6.483 1.00 0.00 O ATOM 1597 CB LYS A 107 7.848 -4.783 5.684 1.00 0.00 C ATOM 1598 CG LYS A 107 7.334 -5.064 4.276 1.00 0.00 C ATOM 1599 CD LYS A 107 5.817 -5.202 4.245 1.00 0.00 C ATOM 1600 CE LYS A 107 5.341 -6.339 5.135 1.00 0.00 C ATOM 1601 NZ LYS A 107 3.876 -6.572 5.018 1.00 0.00 N1+ ATOM 0 H LYS A 107 9.935 -2.423 5.602 1.00 0.00 H new ATOM 0 HA LYS A 107 9.491 -4.108 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 107 7.648 -5.661 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.263 -3.963 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.639 -4.257 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.790 -5.979 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.359 -4.268 4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.488 -5.378 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.874 -7.252 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.589 -6.114 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.606 -7.388 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.363 -5.728 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.633 -6.763 4.025 1.00 0.00 H new ATOM 1615 N ASN A 108 10.126 -6.295 4.485 1.00 0.00 N ATOM 1616 CA ASN A 108 10.875 -7.503 4.190 1.00 0.00 C ATOM 1617 C ASN A 108 11.107 -7.576 2.696 1.00 0.00 C ATOM 1618 O ASN A 108 11.302 -8.644 2.124 1.00 0.00 O ATOM 1619 CB ASN A 108 10.128 -8.748 4.691 1.00 0.00 C ATOM 1620 CG ASN A 108 8.686 -8.812 4.213 1.00 0.00 C ATOM 1621 OD1 ASN A 108 7.784 -8.285 4.863 1.00 0.00 O ATOM 1622 ND2 ASN A 108 8.457 -9.464 3.086 1.00 0.00 N ATOM 0 H ASN A 108 9.499 -6.002 3.736 1.00 0.00 H new ATOM 0 HA ASN A 108 11.834 -7.473 4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.656 -9.641 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.144 -8.760 5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 108 7.506 -9.543 2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.232 -9.888 2.575 1.00 0.00 H new ATOM 1629 N ALA A 109 11.075 -6.411 2.073 1.00 0.00 N ATOM 1630 CA ALA A 109 11.234 -6.300 0.643 1.00 0.00 C ATOM 1631 C ALA A 109 12.335 -5.308 0.308 1.00 0.00 C ATOM 1632 O ALA A 109 12.767 -4.537 1.165 1.00 0.00 O ATOM 1633 CB ALA A 109 9.911 -5.886 0.005 1.00 0.00 C ATOM 0 H ALA A 109 10.938 -5.519 2.548 1.00 0.00 H new ATOM 0 HA ALA A 109 11.523 -7.270 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.038 -5.804 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.151 -6.635 0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.598 -4.923 0.408 1.00 0.00 H new ATOM 1639 N THR A 110 12.770 -5.327 -0.938 1.00 0.00 N ATOM 1640 CA THR A 110 13.850 -4.490 -1.385 1.00 0.00 C ATOM 1641 C THR A 110 13.404 -3.709 -2.591 1.00 0.00 C ATOM 1642 O THR A 110 12.832 -4.263 -3.516 1.00 0.00 O ATOM 1643 CB THR A 110 15.082 -5.308 -1.785 1.00 0.00 C ATOM 1644 OG1 THR A 110 15.472 -6.167 -0.705 1.00 0.00 O ATOM 1645 CG2 THR A 110 16.236 -4.387 -2.154 1.00 0.00 C ATOM 0 H THR A 110 12.379 -5.927 -1.664 1.00 0.00 H new ATOM 0 HA THR A 110 14.118 -3.833 -0.558 1.00 0.00 H new ATOM 0 HB THR A 110 14.828 -5.916 -2.653 1.00 0.00 H new ATOM 0 HG1 THR A 110 15.988 -5.654 -0.048 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.103 -4.985 -2.436 1.00 0.00 H new ATOM 0 HG22 THR A 110 15.943 -3.755 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.489 -3.761 -1.299 1.00 0.00 H new ATOM 1653 N VAL A 111 13.662 -2.440 -2.573 1.00 0.00 N ATOM 1654 CA VAL A 111 13.292 -1.589 -3.677 1.00 0.00 C ATOM 1655 C VAL A 111 14.222 -1.794 -4.878 1.00 0.00 C ATOM 1656 O VAL A 111 15.443 -1.846 -4.743 1.00 0.00 O ATOM 1657 CB VAL A 111 13.279 -0.118 -3.237 1.00 0.00 C ATOM 1658 CG1 VAL A 111 13.580 0.811 -4.399 1.00 0.00 C ATOM 1659 CG2 VAL A 111 11.936 0.225 -2.611 1.00 0.00 C ATOM 0 H VAL A 111 14.130 -1.961 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 111 12.286 -1.865 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 111 14.064 0.022 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 111 13.563 1.844 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 111 14.566 0.580 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.828 0.676 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.935 1.270 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.142 0.062 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 111 11.767 -0.411 -1.742 1.00 0.00 H new ATOM 1669 N LEU A 112 13.609 -1.958 -6.043 1.00 0.00 N ATOM 1670 CA LEU A 112 14.327 -2.006 -7.300 1.00 0.00 C ATOM 1671 C LEU A 112 14.399 -0.609 -7.873 1.00 0.00 C ATOM 1672 O LEU A 112 15.445 -0.144 -8.311 1.00 0.00 O ATOM 1673 CB LEU A 112 13.628 -2.908 -8.320 1.00 0.00 C ATOM 1674 CG LEU A 112 13.697 -4.406 -8.054 1.00 0.00 C ATOM 1675 CD1 LEU A 112 12.748 -4.777 -6.940 1.00 0.00 C ATOM 1676 CD2 LEU A 112 13.377 -5.183 -9.319 1.00 0.00 C ATOM 0 H LEU A 112 12.599 -2.061 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 112 15.320 -2.410 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.579 -2.617 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.061 -2.714 -9.301 1.00 0.00 H new ATOM 0 HG LEU A 112 14.710 -4.665 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.804 -5.850 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.024 -4.239 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.730 -4.510 -7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.430 -6.252 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.373 -4.929 -9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.098 -4.927 -10.095 1.00 0.00 H new ATOM 1688 N ALA A 113 13.253 0.049 -7.854 1.00 0.00 N ATOM 1689 CA ALA A 113 13.125 1.394 -8.376 1.00 0.00 C ATOM 1690 C ALA A 113 12.115 2.168 -7.552 1.00 0.00 C ATOM 1691 O ALA A 113 10.935 1.825 -7.517 1.00 0.00 O ATOM 1692 CB ALA A 113 12.704 1.357 -9.837 1.00 0.00 C ATOM 0 H ALA A 113 12.387 -0.336 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 113 14.091 1.894 -8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.612 2.375 -10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 113 13.454 0.820 -10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 113 11.744 0.849 -9.926 1.00 0.00 H new ATOM 1698 N ALA A 114 12.582 3.184 -6.856 1.00 0.00 N ATOM 1699 CA ALA A 114 11.723 4.002 -6.045 1.00 0.00 C ATOM 1700 C ALA A 114 12.062 5.457 -6.248 1.00 0.00 C ATOM 1701 O ALA A 114 12.855 5.794 -7.124 1.00 0.00 O ATOM 1702 CB ALA A 114 11.858 3.621 -4.592 1.00 0.00 C ATOM 0 H ALA A 114 13.564 3.460 -6.840 1.00 0.00 H new ATOM 0 HA ALA A 114 10.688 3.840 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.202 4.248 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.579 2.575 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.890 3.764 -4.273 1.00 0.00 H new ATOM 1708 N ASP A 115 11.430 6.310 -5.451 1.00 0.00 N ATOM 1709 CA ASP A 115 11.523 7.746 -5.620 1.00 0.00 C ATOM 1710 C ASP A 115 10.824 8.123 -6.914 1.00 0.00 C ATOM 1711 O ASP A 115 11.148 9.116 -7.564 1.00 0.00 O ATOM 1712 CB ASP A 115 12.978 8.237 -5.614 1.00 0.00 C ATOM 1713 CG ASP A 115 13.715 7.901 -4.343 1.00 0.00 C ATOM 1714 OD1 ASP A 115 13.307 8.395 -3.278 1.00 0.00 O ATOM 1715 OD2 ASP A 115 14.712 7.152 -4.402 1.00 0.00 O1- ATOM 0 H ASP A 115 10.840 6.021 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 115 11.035 8.234 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.506 7.796 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.990 9.317 -5.758 1.00 0.00 H new ATOM 1720 N ILE A 116 9.845 7.303 -7.261 1.00 0.00 N ATOM 1721 CA ILE A 116 9.072 7.466 -8.462 1.00 0.00 C ATOM 1722 C ILE A 116 7.920 8.402 -8.185 1.00 0.00 C ATOM 1723 O ILE A 116 7.054 8.093 -7.378 1.00 0.00 O ATOM 1724 CB ILE A 116 8.501 6.118 -8.937 1.00 0.00 C ATOM 1725 CG1 ILE A 116 9.586 5.040 -8.924 1.00 0.00 C ATOM 1726 CG2 ILE A 116 7.894 6.257 -10.321 1.00 0.00 C ATOM 1727 CD1 ILE A 116 9.138 3.707 -9.490 1.00 0.00 C ATOM 0 H ILE A 116 9.568 6.496 -6.702 1.00 0.00 H new ATOM 0 HA ILE A 116 9.723 7.869 -9.238 1.00 0.00 H new ATOM 0 HB ILE A 116 7.713 5.814 -8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.444 5.396 -9.495 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.925 4.892 -7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.495 5.295 -10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.090 6.992 -10.293 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.661 6.584 -11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.964 2.997 -9.445 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.300 3.327 -8.906 1.00 0.00 H new ATOM 0 HD13 ILE A 116 8.828 3.838 -10.527 1.00 0.00 H new ATOM 1739 N GLU A 117 7.934 9.549 -8.812 1.00 0.00 N ATOM 1740 CA GLU A 117 6.831 10.483 -8.689 1.00 0.00 C ATOM 1741 C GLU A 117 5.594 9.909 -9.361 1.00 0.00 C ATOM 1742 O GLU A 117 5.516 9.838 -10.590 1.00 0.00 O ATOM 1743 CB GLU A 117 7.189 11.826 -9.308 1.00 0.00 C ATOM 1744 CG GLU A 117 8.510 12.389 -8.809 1.00 0.00 C ATOM 1745 CD GLU A 117 8.850 13.725 -9.434 1.00 0.00 C ATOM 1746 OE1 GLU A 117 9.133 13.761 -10.652 1.00 0.00 O ATOM 1747 OE2 GLU A 117 8.852 14.740 -8.714 1.00 0.00 O1- ATOM 0 H GLU A 117 8.694 9.865 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 117 6.625 10.640 -7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.235 11.717 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.394 12.540 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.467 12.500 -7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.308 11.678 -9.025 1.00 0.00 H new ATOM 1754 N ALA A 118 4.641 9.485 -8.548 1.00 0.00 N ATOM 1755 CA ALA A 118 3.443 8.827 -9.055 1.00 0.00 C ATOM 1756 C ALA A 118 2.395 9.820 -9.523 1.00 0.00 C ATOM 1757 O ALA A 118 2.598 11.035 -9.454 1.00 0.00 O ATOM 1758 CB ALA A 118 2.836 7.917 -8.003 1.00 0.00 C ATOM 0 H ALA A 118 4.671 9.584 -7.533 1.00 0.00 H new ATOM 0 HA ALA A 118 3.758 8.234 -9.914 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.944 7.439 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.561 7.154 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.567 8.504 -7.125 1.00 0.00 H new ATOM 1764 N GLU A 119 1.273 9.280 -9.987 1.00 0.00 N ATOM 1765 CA GLU A 119 0.121 10.070 -10.402 1.00 0.00 C ATOM 1766 C GLU A 119 -0.239 11.128 -9.362 1.00 0.00 C ATOM 1767 O GLU A 119 -0.412 12.304 -9.684 1.00 0.00 O ATOM 1768 CB GLU A 119 -1.075 9.142 -10.634 1.00 0.00 C ATOM 1769 CG GLU A 119 -1.206 8.041 -9.585 1.00 0.00 C ATOM 1770 CD GLU A 119 -2.494 7.261 -9.714 1.00 0.00 C ATOM 1771 OE1 GLU A 119 -2.562 6.351 -10.564 1.00 0.00 O ATOM 1772 OE2 GLU A 119 -3.439 7.539 -8.950 1.00 0.00 O1- ATOM 0 H GLU A 119 1.137 8.274 -10.086 1.00 0.00 H new ATOM 0 HA GLU A 119 0.378 10.587 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.989 9.736 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.984 8.685 -11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.362 7.357 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.153 8.484 -8.591 1.00 0.00 H new ATOM 1779 N ASN A 120 -0.343 10.703 -8.114 1.00 0.00 N ATOM 1780 CA ASN A 120 -0.711 11.601 -7.037 1.00 0.00 C ATOM 1781 C ASN A 120 0.401 11.698 -6.009 1.00 0.00 C ATOM 1782 O ASN A 120 0.441 12.639 -5.226 1.00 0.00 O ATOM 1783 CB ASN A 120 -1.999 11.135 -6.350 1.00 0.00 C ATOM 1784 CG ASN A 120 -3.246 11.394 -7.174 1.00 0.00 C ATOM 1785 OD1 ASN A 120 -3.856 12.459 -7.078 1.00 0.00 O ATOM 1786 ND2 ASN A 120 -3.648 10.418 -7.974 1.00 0.00 N ATOM 0 H ASN A 120 -0.177 9.740 -7.823 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.878 12.585 -7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -1.925 10.068 -6.141 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.094 11.642 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -4.490 10.535 -8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.116 9.550 -8.026 1.00 0.00 H new ATOM 1793 N GLY A 121 1.310 10.729 -6.005 1.00 0.00 N ATOM 1794 CA GLY A 121 2.329 10.704 -4.975 1.00 0.00 C ATOM 1795 C GLY A 121 3.645 10.133 -5.427 1.00 0.00 C ATOM 1796 O GLY A 121 4.386 10.759 -6.181 1.00 0.00 O ATOM 0 H GLY A 121 1.359 9.971 -6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.491 11.720 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 121 1.963 10.120 -4.131 1.00 0.00 H new ATOM 1800 N ILE A 122 3.925 8.946 -4.942 1.00 0.00 N ATOM 1801 CA ILE A 122 5.194 8.279 -5.156 1.00 0.00 C ATOM 1802 C ILE A 122 4.982 6.774 -5.336 1.00 0.00 C ATOM 1803 O ILE A 122 4.009 6.213 -4.841 1.00 0.00 O ATOM 1804 CB ILE A 122 6.128 8.517 -3.950 1.00 0.00 C ATOM 1805 CG1 ILE A 122 6.548 9.981 -3.860 1.00 0.00 C ATOM 1806 CG2 ILE A 122 7.357 7.626 -4.024 1.00 0.00 C ATOM 1807 CD1 ILE A 122 7.562 10.363 -4.906 1.00 0.00 C ATOM 0 H ILE A 122 3.269 8.406 -4.378 1.00 0.00 H new ATOM 0 HA ILE A 122 5.649 8.689 -6.058 1.00 0.00 H new ATOM 0 HB ILE A 122 5.569 8.261 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.667 10.614 -3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.963 10.175 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 122 7.996 7.816 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 122 7.049 6.580 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.908 7.842 -4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.823 11.415 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.457 9.752 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.141 10.198 -5.898 1.00 0.00 H new ATOM 1819 N ILE A 123 5.894 6.135 -6.048 1.00 0.00 N ATOM 1820 CA ILE A 123 5.866 4.682 -6.222 1.00 0.00 C ATOM 1821 C ILE A 123 7.221 4.072 -5.871 1.00 0.00 C ATOM 1822 O ILE A 123 8.263 4.715 -6.019 1.00 0.00 O ATOM 1823 CB ILE A 123 5.458 4.279 -7.664 1.00 0.00 C ATOM 1824 CG1 ILE A 123 4.034 4.749 -7.936 1.00 0.00 C ATOM 1825 CG2 ILE A 123 5.563 2.768 -7.873 1.00 0.00 C ATOM 1826 CD1 ILE A 123 3.567 4.524 -9.356 1.00 0.00 C ATOM 0 H ILE A 123 6.671 6.598 -6.520 1.00 0.00 H new ATOM 0 HA ILE A 123 5.111 4.291 -5.541 1.00 0.00 H new ATOM 0 HB ILE A 123 6.144 4.757 -8.363 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.357 4.232 -7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.964 5.812 -7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 123 5.270 2.521 -8.893 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.591 2.448 -7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 123 4.903 2.257 -7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.545 4.886 -9.464 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.218 5.064 -10.043 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.601 3.459 -9.586 1.00 0.00 H new ATOM 1838 N HIS A 124 7.195 2.851 -5.344 1.00 0.00 N ATOM 1839 CA HIS A 124 8.419 2.108 -5.053 1.00 0.00 C ATOM 1840 C HIS A 124 8.247 0.655 -5.463 1.00 0.00 C ATOM 1841 O HIS A 124 7.393 -0.044 -4.926 1.00 0.00 O ATOM 1842 CB HIS A 124 8.787 2.133 -3.558 1.00 0.00 C ATOM 1843 CG HIS A 124 8.631 3.454 -2.866 1.00 0.00 C ATOM 1844 ND1 HIS A 124 9.701 4.190 -2.408 1.00 0.00 N ATOM 1845 CD2 HIS A 124 7.523 4.155 -2.520 1.00 0.00 C ATOM 1846 CE1 HIS A 124 9.262 5.283 -1.819 1.00 0.00 C ATOM 1847 NE2 HIS A 124 7.947 5.288 -1.871 1.00 0.00 N ATOM 0 H HIS A 124 6.337 2.353 -5.109 1.00 0.00 H new ATOM 0 HA HIS A 124 9.217 2.592 -5.616 1.00 0.00 H new ATOM 0 HB2 HIS A 124 8.170 1.399 -3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 124 9.823 1.810 -3.453 1.00 0.00 H new ATOM 0 HD2 HIS A 124 6.499 3.875 -2.718 1.00 0.00 H new ATOM 0 HE1 HIS A 124 9.878 6.047 -1.369 1.00 0.00 H new ATOM 0 HE2 HIS A 124 7.341 6.015 -1.491 1.00 0.00 H new ATOM 1856 N VAL A 125 9.049 0.213 -6.408 1.00 0.00 N ATOM 1857 CA VAL A 125 9.036 -1.174 -6.844 1.00 0.00 C ATOM 1858 C VAL A 125 9.870 -2.021 -5.890 1.00 0.00 C ATOM 1859 O VAL A 125 11.017 -1.685 -5.616 1.00 0.00 O ATOM 1860 CB VAL A 125 9.603 -1.292 -8.275 1.00 0.00 C ATOM 1861 CG1 VAL A 125 9.631 -2.738 -8.742 1.00 0.00 C ATOM 1862 CG2 VAL A 125 8.797 -0.426 -9.230 1.00 0.00 C ATOM 0 H VAL A 125 9.727 0.799 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 125 8.007 -1.533 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 125 10.633 -0.934 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.036 -2.786 -9.753 1.00 0.00 H new ATOM 0 HG12 VAL A 125 10.259 -3.325 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 125 8.619 -3.142 -8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.206 -0.517 -10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.758 -0.754 -9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.849 0.615 -8.910 1.00 0.00 H new ATOM 1872 N ILE A 126 9.304 -3.113 -5.378 1.00 0.00 N ATOM 1873 CA ILE A 126 10.009 -3.937 -4.409 1.00 0.00 C ATOM 1874 C ILE A 126 10.125 -5.368 -4.886 1.00 0.00 C ATOM 1875 O ILE A 126 9.329 -5.855 -5.686 1.00 0.00 O ATOM 1876 CB ILE A 126 9.375 -3.927 -3.003 1.00 0.00 C ATOM 1877 CG1 ILE A 126 8.024 -4.650 -2.988 1.00 0.00 C ATOM 1878 CG2 ILE A 126 9.239 -2.504 -2.495 1.00 0.00 C ATOM 1879 CD1 ILE A 126 6.819 -3.741 -3.134 1.00 0.00 C ATOM 0 H ILE A 126 8.369 -3.442 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 126 10.998 -3.487 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 126 10.039 -4.472 -2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.010 -5.382 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 126 7.934 -5.204 -2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 126 8.790 -2.514 -1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.224 -2.040 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.605 -1.934 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.908 -4.339 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.802 -3.024 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.880 -3.206 -4.082 1.00 0.00 H new ATOM 1891 N ASP A 127 11.120 -6.032 -4.351 1.00 0.00 N ATOM 1892 CA ASP A 127 11.533 -7.336 -4.823 1.00 0.00 C ATOM 1893 C ASP A 127 10.952 -8.441 -3.950 1.00 0.00 C ATOM 1894 O ASP A 127 11.424 -9.575 -3.941 1.00 0.00 O ATOM 1895 CB ASP A 127 13.063 -7.399 -4.863 1.00 0.00 C ATOM 1896 CG ASP A 127 13.597 -8.671 -5.488 1.00 0.00 C ATOM 1897 OD1 ASP A 127 13.152 -9.025 -6.595 1.00 0.00 O ATOM 1898 OD2 ASP A 127 14.474 -9.315 -4.875 1.00 0.00 O1- ATOM 0 H ASP A 127 11.673 -5.682 -3.569 1.00 0.00 H new ATOM 0 HA ASP A 127 11.150 -7.492 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.440 -6.542 -5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 127 13.449 -7.312 -3.848 1.00 0.00 H new ATOM 1903 N THR A 128 9.908 -8.104 -3.219 1.00 0.00 N ATOM 1904 CA THR A 128 9.276 -9.050 -2.328 1.00 0.00 C ATOM 1905 C THR A 128 7.849 -8.625 -2.009 1.00 0.00 C ATOM 1906 O THR A 128 7.598 -7.464 -1.700 1.00 0.00 O ATOM 1907 CB THR A 128 10.076 -9.182 -1.022 1.00 0.00 C ATOM 1908 OG1 THR A 128 11.317 -9.861 -1.266 1.00 0.00 O ATOM 1909 CG2 THR A 128 9.281 -9.908 0.047 1.00 0.00 C ATOM 0 H THR A 128 9.480 -7.178 -3.226 1.00 0.00 H new ATOM 0 HA THR A 128 9.252 -10.016 -2.832 1.00 0.00 H new ATOM 0 HB THR A 128 10.285 -8.177 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.397 -10.062 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.878 -9.983 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.366 -9.355 0.258 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.028 -10.908 -0.304 1.00 0.00 H new ATOM 1917 N VAL A 129 6.922 -9.562 -2.132 1.00 0.00 N ATOM 1918 CA VAL A 129 5.570 -9.359 -1.677 1.00 0.00 C ATOM 1919 C VAL A 129 5.498 -9.672 -0.184 1.00 0.00 C ATOM 1920 O VAL A 129 5.303 -8.739 0.618 1.00 0.00 O ATOM 1921 CB VAL A 129 4.580 -10.263 -2.439 1.00 0.00 C ATOM 1922 CG1 VAL A 129 3.202 -10.162 -1.831 1.00 0.00 C ATOM 1923 CG2 VAL A 129 4.535 -9.895 -3.916 1.00 0.00 C ATOM 0 H VAL A 129 7.092 -10.477 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 129 5.293 -8.322 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 129 4.926 -11.293 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.514 -10.806 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.240 -10.477 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.855 -9.130 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.830 -10.547 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.216 -8.858 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.527 -10.016 -4.352 1.00 0.00 H new