USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ -116:sc= -1.32! (180deg=-2.06!) USER MOD Set 1.2: A 56 THR OG1 : rot 139:sc= -0.719! USER MOD Set 1.3: A 58 SER OG : rot 180:sc= 1.76 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -172:sc= -1.29! (180deg=-1.4!) USER MOD Set 2.2: A 80 THR OG1 : rot -70:sc= 0.299! USER MOD Single : A 1 SER N :NH3+ -151:sc= 0.784 (180deg=0.596) USER MOD Single : A 1 SER OG : rot 180:sc= 0.122 USER MOD Single : A 5 SER OG : rot 180:sc= -0.447 USER MOD Single : A 12 ASN : amide:sc= -0.146! C(o=-0.15!,f=-9.3!) USER MOD Single : A 13 GLN : amide:sc= -0.952 X(o=-0.95,f=-0.95) USER MOD Single : A 15 GLN : amide:sc= 0.476 K(o=0.48,f=-10!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.127 USER MOD Single : A 33 SER OG : rot 32:sc= 0.84 USER MOD Single : A 38 THR OG1 : rot 20:sc= 1.01 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.261 K(o=-0.26,f=-10!) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.582 (180deg=-1.13) USER MOD Single : A 53 ASN : amide:sc= -3.77! C(o=-3.8!,f=-20!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 60 SER OG : rot 65:sc= 1.11 USER MOD Single : A 62 THR OG1 : rot -174:sc= 0.259 USER MOD Single : A 64 THR OG1 : rot 78:sc= 0.899 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.4!) USER MOD Single : A 79 THR OG1 : rot 177:sc= -1.77! USER MOD Single : A 83 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.2) USER MOD Single : A 85 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.293) USER MOD Single : A 86 THR OG1 : rot -135:sc= -0.661! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -19.299 -7.024 3.916 1.00 0.00 N ATOM 2 CA SER A 1 -18.659 -6.013 4.765 1.00 0.00 C ATOM 3 C SER A 1 -17.159 -6.084 4.547 1.00 0.00 C ATOM 4 O SER A 1 -16.603 -7.149 4.282 1.00 0.00 O ATOM 5 CB SER A 1 -18.949 -6.313 6.230 1.00 0.00 C ATOM 6 OG SER A 1 -19.769 -7.498 6.345 1.00 0.00 O ATOM 0 H1 SER A 1 -20.255 -6.706 3.659 1.00 0.00 H new ATOM 0 H2 SER A 1 -18.735 -7.160 3.053 1.00 0.00 H new ATOM 0 H3 SER A 1 -19.361 -7.924 4.434 1.00 0.00 H new ATOM 0 HA SER A 1 -19.042 -5.025 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.014 -6.455 6.771 1.00 0.00 H new ATOM 0 HB3 SER A 1 -19.457 -5.465 6.689 1.00 0.00 H new ATOM 0 HG SER A 1 -19.947 -7.682 7.291 1.00 0.00 H new ATOM 14 N ILE A 2 -16.493 -4.990 4.671 1.00 0.00 N ATOM 15 CA ILE A 2 -15.039 -4.974 4.455 1.00 0.00 C ATOM 16 C ILE A 2 -14.322 -5.877 5.465 1.00 0.00 C ATOM 17 O ILE A 2 -14.682 -5.957 6.630 1.00 0.00 O ATOM 18 CB ILE A 2 -14.528 -3.533 4.588 1.00 0.00 C ATOM 19 CG1 ILE A 2 -15.001 -2.702 3.407 1.00 0.00 C ATOM 20 CG2 ILE A 2 -12.994 -3.492 4.632 1.00 0.00 C ATOM 21 CD1 ILE A 2 -15.190 -1.258 3.847 1.00 0.00 C ATOM 0 H ILE A 2 -16.902 -4.089 4.918 1.00 0.00 H new ATOM 0 HA ILE A 2 -14.828 -5.354 3.455 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.924 -3.126 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -14.273 -2.754 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -15.938 -3.101 3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -12.660 -2.459 4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -12.639 -4.068 5.487 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -12.592 -3.921 3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.529 -0.661 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -15.934 -1.214 4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -14.243 -0.862 4.213 1.00 0.00 H new ATOM 33 N VAL A 3 -13.278 -6.472 5.032 1.00 0.00 N ATOM 34 CA VAL A 3 -12.397 -7.286 5.857 1.00 0.00 C ATOM 35 C VAL A 3 -10.981 -6.838 5.461 1.00 0.00 C ATOM 36 O VAL A 3 -10.602 -6.913 4.294 1.00 0.00 O ATOM 37 CB VAL A 3 -12.650 -8.794 5.536 1.00 0.00 C ATOM 38 CG1 VAL A 3 -13.263 -8.975 4.140 1.00 0.00 C ATOM 39 CG2 VAL A 3 -11.365 -9.625 5.642 1.00 0.00 C ATOM 0 H VAL A 3 -12.980 -6.419 4.058 1.00 0.00 H new ATOM 0 HA VAL A 3 -12.557 -7.167 6.929 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.357 -9.154 6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -13.426 -10.036 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -14.215 -8.447 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.584 -8.571 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.586 -10.667 5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.627 -9.245 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.968 -9.554 6.655 1.00 0.00 H new ATOM 49 N VAL A 4 -10.254 -6.256 6.365 1.00 0.00 N ATOM 50 CA VAL A 4 -8.911 -5.708 6.020 1.00 0.00 C ATOM 51 C VAL A 4 -7.887 -6.270 6.989 1.00 0.00 C ATOM 52 O VAL A 4 -8.218 -6.727 8.071 1.00 0.00 O ATOM 53 CB VAL A 4 -8.949 -4.139 6.089 1.00 0.00 C ATOM 54 CG1 VAL A 4 -9.974 -3.666 7.129 1.00 0.00 C ATOM 55 CG2 VAL A 4 -7.574 -3.557 6.465 1.00 0.00 C ATOM 0 H VAL A 4 -10.531 -6.133 7.339 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.633 -5.997 5.006 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.231 -3.786 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.984 -2.577 7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.964 -4.030 6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.703 -4.055 8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.637 -2.470 6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.272 -3.938 7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.838 -3.851 5.717 1.00 0.00 H new ATOM 65 N SER A 5 -6.667 -6.197 6.633 1.00 0.00 N ATOM 66 CA SER A 5 -5.579 -6.643 7.513 1.00 0.00 C ATOM 67 C SER A 5 -4.328 -5.881 7.084 1.00 0.00 C ATOM 68 O SER A 5 -4.157 -5.610 5.899 1.00 0.00 O ATOM 69 CB SER A 5 -5.392 -8.144 7.370 1.00 0.00 C ATOM 70 OG SER A 5 -6.578 -8.729 6.782 1.00 0.00 O ATOM 0 H SER A 5 -6.358 -5.832 5.732 1.00 0.00 H new ATOM 0 HA SER A 5 -5.796 -6.444 8.562 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.523 -8.354 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.200 -8.591 8.345 1.00 0.00 H new ATOM 0 HG SER A 5 -6.454 -9.697 6.690 1.00 0.00 H new ATOM 76 N PRO A 6 -3.525 -5.419 8.024 1.00 0.00 N ATOM 77 CA PRO A 6 -2.351 -4.559 7.716 1.00 0.00 C ATOM 78 C PRO A 6 -1.575 -5.036 6.485 1.00 0.00 C ATOM 79 O PRO A 6 -1.307 -6.220 6.336 1.00 0.00 O ATOM 80 CB PRO A 6 -1.468 -4.663 8.958 1.00 0.00 C ATOM 81 CG PRO A 6 -2.376 -5.047 10.086 1.00 0.00 C ATOM 82 CD PRO A 6 -3.651 -5.669 9.476 1.00 0.00 C ATOM 0 HA PRO A 6 -2.665 -3.541 7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.685 -5.408 8.818 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.972 -3.714 9.163 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.883 -5.759 10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.628 -4.174 10.688 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.715 -6.736 9.691 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.551 -5.208 9.882 1.00 0.00 H new ATOM 90 N ILE A 7 -1.150 -4.129 5.663 1.00 0.00 N ATOM 91 CA ILE A 7 -0.310 -4.488 4.495 1.00 0.00 C ATOM 92 C ILE A 7 1.108 -4.075 4.834 1.00 0.00 C ATOM 93 O ILE A 7 1.365 -2.926 5.131 1.00 0.00 O ATOM 94 CB ILE A 7 -0.799 -3.728 3.247 1.00 0.00 C ATOM 95 CG1 ILE A 7 -2.291 -3.998 3.059 1.00 0.00 C ATOM 96 CG2 ILE A 7 -0.039 -4.223 2.003 1.00 0.00 C ATOM 97 CD1 ILE A 7 -2.765 -3.438 1.712 1.00 0.00 C ATOM 0 H ILE A 7 -1.353 -3.133 5.752 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.365 -5.555 4.282 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.621 -2.661 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.482 -5.070 3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.856 -3.540 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.389 -3.682 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.029 -4.048 2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.218 -5.290 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.830 -3.637 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.591 -2.362 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.212 -3.916 0.904 1.00 0.00 H new ATOM 109 N LEU A 8 2.000 -4.999 4.862 1.00 0.00 N ATOM 110 CA LEU A 8 3.386 -4.711 5.234 1.00 0.00 C ATOM 111 C LEU A 8 4.226 -4.751 3.983 1.00 0.00 C ATOM 112 O LEU A 8 4.872 -5.750 3.672 1.00 0.00 O ATOM 113 CB LEU A 8 3.850 -5.768 6.215 1.00 0.00 C ATOM 114 CG LEU A 8 3.014 -5.633 7.499 1.00 0.00 C ATOM 115 CD1 LEU A 8 1.646 -6.258 7.303 1.00 0.00 C ATOM 116 CD2 LEU A 8 3.717 -6.300 8.666 1.00 0.00 C ATOM 0 H LEU A 8 1.817 -5.976 4.634 1.00 0.00 H new ATOM 0 HA LEU A 8 3.475 -3.729 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.730 -6.763 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.910 -5.642 6.437 1.00 0.00 H new ATOM 0 HG LEU A 8 2.895 -4.572 7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.065 -6.156 8.219 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.129 -5.753 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.760 -7.315 7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.110 -6.194 9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.860 -7.358 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.686 -5.828 8.825 1.00 0.00 H new ATOM 128 N ILE A 9 4.191 -3.714 3.232 1.00 0.00 N ATOM 129 CA ILE A 9 4.955 -3.676 1.964 1.00 0.00 C ATOM 130 C ILE A 9 6.388 -3.308 2.306 1.00 0.00 C ATOM 131 O ILE A 9 6.619 -2.457 3.140 1.00 0.00 O ATOM 132 CB ILE A 9 4.361 -2.586 1.061 1.00 0.00 C ATOM 133 CG1 ILE A 9 2.836 -2.620 1.117 1.00 0.00 C ATOM 134 CG2 ILE A 9 4.808 -2.766 -0.394 1.00 0.00 C ATOM 135 CD1 ILE A 9 2.331 -1.249 0.784 1.00 0.00 C ATOM 0 H ILE A 9 3.658 -2.869 3.438 1.00 0.00 H new ATOM 0 HA ILE A 9 4.913 -4.637 1.452 1.00 0.00 H new ATOM 0 HB ILE A 9 4.723 -1.626 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.445 -3.352 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.497 -2.921 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.371 -1.979 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.895 -2.709 -0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.476 -3.738 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.241 -1.245 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.719 -0.533 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.665 -0.971 -0.216 1.00 0.00 H new ATOM 147 N PRO A 10 7.354 -3.908 1.670 1.00 0.00 N ATOM 148 CA PRO A 10 8.751 -3.554 1.925 1.00 0.00 C ATOM 149 C PRO A 10 9.097 -2.199 1.303 1.00 0.00 C ATOM 150 O PRO A 10 8.671 -1.885 0.195 1.00 0.00 O ATOM 151 CB PRO A 10 9.572 -4.681 1.317 1.00 0.00 C ATOM 152 CG PRO A 10 8.649 -5.469 0.424 1.00 0.00 C ATOM 153 CD PRO A 10 7.213 -4.973 0.662 1.00 0.00 C ATOM 0 HA PRO A 10 8.956 -3.448 2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.411 -4.282 0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.990 -5.318 2.097 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.928 -5.338 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.725 -6.534 0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.767 -4.593 -0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.570 -5.777 1.021 1.00 0.00 H new ATOM 161 N GLU A 11 9.809 -1.377 2.008 1.00 0.00 N ATOM 162 CA GLU A 11 10.143 -0.033 1.456 1.00 0.00 C ATOM 163 C GLU A 11 11.056 -0.200 0.251 1.00 0.00 C ATOM 164 O GLU A 11 11.607 -1.260 0.017 1.00 0.00 O ATOM 165 CB GLU A 11 10.854 0.838 2.523 1.00 0.00 C ATOM 166 CG GLU A 11 12.171 0.178 2.973 1.00 0.00 C ATOM 167 CD GLU A 11 13.212 1.242 3.219 1.00 0.00 C ATOM 168 OE1 GLU A 11 13.638 1.373 4.329 1.00 0.00 O ATOM 169 OE2 GLU A 11 13.573 1.913 2.297 1.00 0.00 O ATOM 0 H GLU A 11 10.176 -1.571 2.940 1.00 0.00 H new ATOM 0 HA GLU A 11 9.219 0.464 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.058 1.828 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.198 0.977 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.007 -0.402 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.520 -0.517 2.210 1.00 0.00 H new ATOM 176 N ASN A 12 11.286 0.853 -0.453 1.00 0.00 N ATOM 177 CA ASN A 12 12.251 0.838 -1.590 1.00 0.00 C ATOM 178 C ASN A 12 11.854 -0.167 -2.666 1.00 0.00 C ATOM 179 O ASN A 12 12.640 -0.450 -3.568 1.00 0.00 O ATOM 180 CB ASN A 12 13.653 0.522 -1.074 1.00 0.00 C ATOM 181 CG ASN A 12 14.689 1.389 -1.784 1.00 0.00 C ATOM 182 OD1 ASN A 12 14.450 1.900 -2.868 1.00 0.00 O ATOM 183 ND2 ASN A 12 15.834 1.586 -1.230 1.00 0.00 N ATOM 0 H ASN A 12 10.838 1.755 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 12 12.239 1.828 -2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 12 13.699 0.696 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 12 13.878 -0.532 -1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.533 2.165 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.042 1.163 -0.325 1.00 0.00 H new ATOM 190 N GLN A 13 10.639 -0.684 -2.636 1.00 0.00 N ATOM 191 CA GLN A 13 10.217 -1.602 -3.740 1.00 0.00 C ATOM 192 C GLN A 13 10.377 -0.800 -5.023 1.00 0.00 C ATOM 193 O GLN A 13 10.008 0.360 -5.065 1.00 0.00 O ATOM 194 CB GLN A 13 8.751 -2.029 -3.563 1.00 0.00 C ATOM 195 CG GLN A 13 8.642 -3.052 -2.420 1.00 0.00 C ATOM 196 CD GLN A 13 8.587 -4.463 -2.999 1.00 0.00 C ATOM 197 OE1 GLN A 13 9.609 -5.042 -3.314 1.00 0.00 O ATOM 198 NE2 GLN A 13 7.449 -5.036 -3.184 1.00 0.00 N ATOM 0 H GLN A 13 9.942 -0.512 -1.912 1.00 0.00 H new ATOM 0 HA GLN A 13 10.815 -2.513 -3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.133 -1.158 -3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.374 -2.463 -4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.496 -2.956 -1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.748 -2.856 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.588 -4.556 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.409 -5.970 -3.592 1.00 0.00 H new ATOM 207 N ARG A 14 11.062 -1.315 -5.981 1.00 0.00 N ATOM 208 CA ARG A 14 11.418 -0.505 -7.158 1.00 0.00 C ATOM 209 C ARG A 14 10.382 -0.573 -8.247 1.00 0.00 C ATOM 210 O ARG A 14 9.613 -1.510 -8.342 1.00 0.00 O ATOM 211 CB ARG A 14 12.743 -0.977 -7.715 1.00 0.00 C ATOM 212 CG ARG A 14 13.655 -1.537 -6.607 1.00 0.00 C ATOM 213 CD ARG A 14 14.985 -0.807 -6.655 1.00 0.00 C ATOM 214 NE ARG A 14 15.029 0.250 -5.595 1.00 0.00 N ATOM 215 CZ ARG A 14 16.126 0.955 -5.416 1.00 0.00 C ATOM 216 NH1 ARG A 14 17.163 0.751 -6.190 1.00 0.00 N ATOM 217 NH2 ARG A 14 16.171 1.847 -4.484 1.00 0.00 N ATOM 0 H ARG A 14 11.397 -2.278 -6.002 1.00 0.00 H new ATOM 0 HA ARG A 14 11.480 0.531 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.569 -1.746 -8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.244 -0.149 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.187 -1.406 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.806 -2.607 -6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 14 15.802 -1.514 -6.509 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.126 -0.355 -7.637 1.00 0.00 H new ATOM 0 HE ARG A 14 14.210 0.423 -5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 14 17.118 0.048 -6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 14 18.015 1.295 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.358 2.004 -3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.020 2.395 -4.343 1.00 0.00 H new ATOM 231 N GLN A 15 10.404 0.413 -9.088 1.00 0.00 N ATOM 232 CA GLN A 15 9.536 0.531 -10.273 1.00 0.00 C ATOM 233 C GLN A 15 9.599 -0.786 -11.076 1.00 0.00 C ATOM 234 O GLN A 15 10.453 -1.625 -10.832 1.00 0.00 O ATOM 235 CB GLN A 15 10.100 1.702 -11.121 1.00 0.00 C ATOM 236 CG GLN A 15 9.906 3.045 -10.373 1.00 0.00 C ATOM 237 CD GLN A 15 11.125 3.346 -9.488 1.00 0.00 C ATOM 238 OE1 GLN A 15 11.582 2.491 -8.741 1.00 0.00 O ATOM 239 NE2 GLN A 15 11.676 4.500 -9.536 1.00 0.00 N ATOM 0 H GLN A 15 11.043 1.201 -8.986 1.00 0.00 H new ATOM 0 HA GLN A 15 8.498 0.718 -9.999 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.159 1.539 -11.322 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.595 1.738 -12.086 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.763 3.852 -11.092 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.006 3.000 -9.760 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.302 5.218 -10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.489 4.701 -8.955 1.00 0.00 H new ATOM 248 N PRO A 16 8.707 -0.978 -12.016 1.00 0.00 N ATOM 249 CA PRO A 16 7.647 0.011 -12.362 1.00 0.00 C ATOM 250 C PRO A 16 6.458 -0.009 -11.409 1.00 0.00 C ATOM 251 O PRO A 16 6.177 -1.002 -10.752 1.00 0.00 O ATOM 252 CB PRO A 16 7.214 -0.397 -13.769 1.00 0.00 C ATOM 253 CG PRO A 16 7.479 -1.873 -13.851 1.00 0.00 C ATOM 254 CD PRO A 16 8.619 -2.185 -12.863 1.00 0.00 C ATOM 0 HA PRO A 16 8.028 1.030 -12.293 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.160 -0.177 -13.936 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.777 0.147 -14.527 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.583 -2.440 -13.597 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.759 -2.158 -14.865 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.400 -3.073 -12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.557 -2.374 -13.385 1.00 0.00 H new ATOM 262 N PHE A 17 5.790 1.075 -11.322 1.00 0.00 N ATOM 263 CA PHE A 17 4.611 1.215 -10.473 1.00 0.00 C ATOM 264 C PHE A 17 3.566 1.940 -11.336 1.00 0.00 C ATOM 265 O PHE A 17 3.896 2.418 -12.407 1.00 0.00 O ATOM 266 CB PHE A 17 5.001 2.087 -9.291 1.00 0.00 C ATOM 267 CG PHE A 17 5.725 1.260 -8.252 1.00 0.00 C ATOM 268 CD1 PHE A 17 5.030 0.298 -7.507 1.00 0.00 C ATOM 269 CD2 PHE A 17 7.095 1.454 -8.029 1.00 0.00 C ATOM 270 CE1 PHE A 17 5.702 -0.460 -6.547 1.00 0.00 C ATOM 271 CE2 PHE A 17 7.757 0.698 -7.072 1.00 0.00 C ATOM 272 CZ PHE A 17 7.066 -0.257 -6.330 1.00 0.00 C ATOM 0 H PHE A 17 6.029 1.922 -11.837 1.00 0.00 H new ATOM 0 HA PHE A 17 4.226 0.263 -10.107 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.640 2.904 -9.627 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.111 2.538 -8.852 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.975 0.143 -7.676 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.636 2.192 -8.602 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.168 -1.202 -5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.813 0.851 -6.902 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.586 -0.841 -5.586 1.00 0.00 H new ATOM 282 N PRO A 18 2.322 2.034 -10.911 1.00 0.00 N ATOM 283 CA PRO A 18 1.827 1.480 -9.616 1.00 0.00 C ATOM 284 C PRO A 18 1.812 -0.039 -9.612 1.00 0.00 C ATOM 285 O PRO A 18 2.047 -0.675 -10.637 1.00 0.00 O ATOM 286 CB PRO A 18 0.380 2.005 -9.507 1.00 0.00 C ATOM 287 CG PRO A 18 0.262 3.076 -10.543 1.00 0.00 C ATOM 288 CD PRO A 18 1.241 2.700 -11.645 1.00 0.00 C ATOM 0 HA PRO A 18 2.469 1.781 -8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.341 1.207 -9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.180 2.400 -8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.756 3.136 -10.929 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.502 4.053 -10.124 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.785 2.038 -12.381 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.599 3.577 -12.184 1.00 0.00 H new ATOM 296 N ARG A 19 1.526 -0.617 -8.492 1.00 0.00 N ATOM 297 CA ARG A 19 1.455 -2.102 -8.400 1.00 0.00 C ATOM 298 C ARG A 19 0.557 -2.497 -7.228 1.00 0.00 C ATOM 299 O ARG A 19 0.555 -1.841 -6.191 1.00 0.00 O ATOM 300 CB ARG A 19 2.866 -2.683 -8.189 1.00 0.00 C ATOM 301 CG ARG A 19 3.158 -3.743 -9.259 1.00 0.00 C ATOM 302 CD ARG A 19 4.588 -4.242 -9.113 1.00 0.00 C ATOM 303 NE ARG A 19 5.530 -3.122 -9.373 1.00 0.00 N ATOM 304 CZ ARG A 19 6.713 -3.091 -8.820 1.00 0.00 C ATOM 305 NH1 ARG A 19 7.127 -4.085 -8.062 1.00 0.00 N ATOM 306 NH2 ARG A 19 7.474 -2.088 -9.060 1.00 0.00 N ATOM 0 H ARG A 19 1.335 -0.123 -7.620 1.00 0.00 H new ATOM 0 HA ARG A 19 1.041 -2.500 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.608 -1.887 -8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.942 -3.125 -7.196 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.461 -4.575 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.010 -3.320 -10.253 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.746 -4.639 -8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.774 -5.058 -9.812 1.00 0.00 H new ATOM 0 HE ARG A 19 5.248 -2.364 -9.994 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.522 -4.890 -7.901 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.053 -4.050 -7.635 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.151 -1.338 -9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.402 -2.040 -8.640 1.00 0.00 H new ATOM 320 N ASP A 20 -0.169 -3.579 -7.381 1.00 0.00 N ATOM 321 CA ASP A 20 -1.046 -4.119 -6.287 1.00 0.00 C ATOM 322 C ASP A 20 -0.143 -4.566 -5.169 1.00 0.00 C ATOM 323 O ASP A 20 0.829 -5.268 -5.406 1.00 0.00 O ATOM 324 CB ASP A 20 -1.830 -5.340 -6.840 1.00 0.00 C ATOM 325 CG ASP A 20 -2.579 -6.124 -5.761 1.00 0.00 C ATOM 326 OD1 ASP A 20 -3.300 -7.016 -6.137 1.00 0.00 O ATOM 327 OD2 ASP A 20 -2.433 -5.865 -4.602 1.00 0.00 O ATOM 0 H ASP A 20 -0.192 -4.126 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.751 -3.367 -5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.543 -4.995 -7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.135 -6.009 -7.347 1.00 0.00 H new ATOM 332 N VAL A 21 -0.450 -4.200 -3.975 1.00 0.00 N ATOM 333 CA VAL A 21 0.376 -4.616 -2.824 1.00 0.00 C ATOM 334 C VAL A 21 -0.503 -5.337 -1.804 1.00 0.00 C ATOM 335 O VAL A 21 -0.045 -5.732 -0.748 1.00 0.00 O ATOM 336 CB VAL A 21 1.016 -3.371 -2.181 1.00 0.00 C ATOM 337 CG1 VAL A 21 1.995 -2.725 -3.168 1.00 0.00 C ATOM 338 CG2 VAL A 21 -0.068 -2.344 -1.798 1.00 0.00 C ATOM 0 H VAL A 21 -1.254 -3.618 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 21 1.163 -5.292 -3.158 1.00 0.00 H new ATOM 0 HB VAL A 21 1.547 -3.680 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.446 -1.845 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.776 -3.440 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.460 -2.430 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.402 -1.471 -1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.613 -2.040 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.760 -2.794 -1.086 1.00 0.00 H new ATOM 348 N GLY A 22 -1.751 -5.541 -2.102 1.00 0.00 N ATOM 349 CA GLY A 22 -2.631 -6.250 -1.116 1.00 0.00 C ATOM 350 C GLY A 22 -4.070 -6.012 -1.480 1.00 0.00 C ATOM 351 O GLY A 22 -4.367 -5.354 -2.461 1.00 0.00 O ATOM 0 H GLY A 22 -2.203 -5.255 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.414 -7.318 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.433 -5.887 -0.107 1.00 0.00 H new ATOM 355 N LYS A 23 -4.984 -6.562 -0.750 1.00 0.00 N ATOM 356 CA LYS A 23 -6.412 -6.389 -1.102 1.00 0.00 C ATOM 357 C LYS A 23 -7.217 -6.087 0.133 1.00 0.00 C ATOM 358 O LYS A 23 -7.247 -6.877 1.064 1.00 0.00 O ATOM 359 CB LYS A 23 -6.961 -7.694 -1.719 1.00 0.00 C ATOM 360 CG LYS A 23 -8.236 -7.394 -2.544 1.00 0.00 C ATOM 361 CD LYS A 23 -8.831 -8.701 -3.115 1.00 0.00 C ATOM 362 CE LYS A 23 -8.656 -8.737 -4.642 1.00 0.00 C ATOM 363 NZ LYS A 23 -7.302 -8.243 -4.999 1.00 0.00 N ATOM 0 H LYS A 23 -4.806 -7.127 0.080 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.492 -5.567 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.204 -8.151 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.189 -8.411 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.974 -6.896 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.997 -6.710 -3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.338 -9.562 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.889 -8.770 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.792 -9.754 -5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.417 -8.120 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.387 -7.368 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.762 -8.051 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.807 -8.963 -5.562 1.00 0.00 H new ATOM 377 N VAL A 24 -8.031 -5.095 0.059 1.00 0.00 N ATOM 378 CA VAL A 24 -9.057 -4.921 1.111 1.00 0.00 C ATOM 379 C VAL A 24 -10.218 -5.668 0.545 1.00 0.00 C ATOM 380 O VAL A 24 -10.534 -5.496 -0.615 1.00 0.00 O ATOM 381 CB VAL A 24 -9.438 -3.444 1.281 1.00 0.00 C ATOM 382 CG1 VAL A 24 -10.376 -3.284 2.502 1.00 0.00 C ATOM 383 CG2 VAL A 24 -8.172 -2.591 1.478 1.00 0.00 C ATOM 0 H VAL A 24 -8.036 -4.393 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.724 -5.265 2.090 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.955 -3.105 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.644 -2.234 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.279 -3.874 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.866 -3.631 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.453 -1.545 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.641 -2.928 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.524 -2.695 0.608 1.00 0.00 H new ATOM 393 N VAL A 25 -10.767 -6.569 1.255 1.00 0.00 N ATOM 394 CA VAL A 25 -11.808 -7.395 0.649 1.00 0.00 C ATOM 395 C VAL A 25 -13.131 -7.074 1.297 1.00 0.00 C ATOM 396 O VAL A 25 -13.191 -6.599 2.404 1.00 0.00 O ATOM 397 CB VAL A 25 -11.434 -8.875 0.868 1.00 0.00 C ATOM 398 CG1 VAL A 25 -12.407 -9.808 0.130 1.00 0.00 C ATOM 399 CG2 VAL A 25 -10.012 -9.131 0.345 1.00 0.00 C ATOM 0 H VAL A 25 -10.545 -6.775 2.229 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.892 -7.199 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.489 -9.082 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.118 -10.845 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.419 -9.646 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.375 -9.596 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.750 -10.177 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.969 -8.901 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.307 -8.497 0.882 1.00 0.00 H new ATOM 409 N ASP A 26 -14.183 -7.392 0.639 1.00 0.00 N ATOM 410 CA ASP A 26 -15.532 -7.243 1.214 1.00 0.00 C ATOM 411 C ASP A 26 -16.329 -8.395 0.671 1.00 0.00 C ATOM 412 O ASP A 26 -16.519 -8.520 -0.547 1.00 0.00 O ATOM 413 CB ASP A 26 -16.188 -5.901 0.823 1.00 0.00 C ATOM 414 CG ASP A 26 -17.478 -5.701 1.621 1.00 0.00 C ATOM 415 OD1 ASP A 26 -18.198 -6.653 1.813 1.00 0.00 O ATOM 416 OD2 ASP A 26 -17.730 -4.596 2.047 1.00 0.00 O ATOM 0 H ASP A 26 -14.169 -7.764 -0.311 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.488 -7.244 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -15.499 -5.079 1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -16.405 -5.890 -0.245 1.00 0.00 H new ATOM 421 N SER A 27 -16.656 -9.304 1.516 1.00 0.00 N ATOM 422 CA SER A 27 -17.346 -10.544 1.114 1.00 0.00 C ATOM 423 C SER A 27 -18.852 -10.290 1.143 1.00 0.00 C ATOM 424 O SER A 27 -19.557 -10.428 0.144 1.00 0.00 O ATOM 425 CB SER A 27 -16.974 -11.621 2.141 1.00 0.00 C ATOM 426 OG SER A 27 -16.152 -11.029 3.185 1.00 0.00 O ATOM 0 H SER A 27 -16.466 -9.239 2.516 1.00 0.00 H new ATOM 0 HA SER A 27 -17.059 -10.862 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 27 -17.876 -12.053 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.434 -12.433 1.654 1.00 0.00 H new ATOM 0 HG SER A 27 -15.915 -11.715 3.843 1.00 0.00 H new ATOM 521 N SER A 33 -21.125 -3.002 -4.664 1.00 0.00 N ATOM 522 CA SER A 33 -20.317 -2.388 -3.580 1.00 0.00 C ATOM 523 C SER A 33 -18.854 -2.136 -4.047 1.00 0.00 C ATOM 524 O SER A 33 -18.115 -3.077 -4.373 1.00 0.00 O ATOM 525 CB SER A 33 -20.358 -3.350 -2.397 1.00 0.00 C ATOM 526 OG SER A 33 -21.210 -4.480 -2.744 1.00 0.00 O ATOM 0 HA SER A 33 -20.723 -1.416 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.353 -3.695 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.743 -2.844 -1.512 1.00 0.00 H new ATOM 0 HG SER A 33 -21.142 -4.658 -3.705 1.00 0.00 H new ATOM 532 N LYS A 34 -18.461 -0.880 -4.141 1.00 0.00 N ATOM 533 CA LYS A 34 -17.092 -0.509 -4.653 1.00 0.00 C ATOM 534 C LYS A 34 -16.218 -0.034 -3.517 1.00 0.00 C ATOM 535 O LYS A 34 -16.657 0.698 -2.670 1.00 0.00 O ATOM 536 CB LYS A 34 -17.190 0.650 -5.660 1.00 0.00 C ATOM 537 CG LYS A 34 -18.668 1.045 -5.888 1.00 0.00 C ATOM 538 CD LYS A 34 -18.791 2.035 -7.043 1.00 0.00 C ATOM 539 CE LYS A 34 -18.568 3.493 -6.583 1.00 0.00 C ATOM 540 NZ LYS A 34 -19.031 3.707 -5.178 1.00 0.00 N ATOM 0 H LYS A 34 -19.041 -0.083 -3.880 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.668 -1.396 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.631 1.509 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.735 0.357 -6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.259 0.154 -6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -19.076 1.487 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.064 1.783 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.779 1.944 -7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.509 3.740 -6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -19.102 4.170 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.992 4.721 -4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.009 3.367 -5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.415 3.182 -4.526 1.00 0.00 H new ATOM 554 N PHE A 35 -14.987 -0.358 -3.529 1.00 0.00 N ATOM 555 CA PHE A 35 -14.094 0.104 -2.439 1.00 0.00 C ATOM 556 C PHE A 35 -13.673 1.550 -2.647 1.00 0.00 C ATOM 557 O PHE A 35 -13.265 1.950 -3.739 1.00 0.00 O ATOM 558 CB PHE A 35 -12.836 -0.747 -2.413 1.00 0.00 C ATOM 559 CG PHE A 35 -13.180 -2.129 -1.959 1.00 0.00 C ATOM 560 CD1 PHE A 35 -13.257 -3.170 -2.885 1.00 0.00 C ATOM 561 CD2 PHE A 35 -13.421 -2.369 -0.608 1.00 0.00 C ATOM 562 CE1 PHE A 35 -13.574 -4.454 -2.458 1.00 0.00 C ATOM 563 CE2 PHE A 35 -13.738 -3.658 -0.185 1.00 0.00 C ATOM 564 CZ PHE A 35 -13.813 -4.697 -1.113 1.00 0.00 C ATOM 0 H PHE A 35 -14.540 -0.928 -4.247 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.645 0.017 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.386 -0.780 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.099 -0.305 -1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -13.071 -2.978 -3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -13.362 -1.561 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -13.634 -5.262 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -13.926 -3.853 0.861 1.00 0.00 H new ATOM 0 HZ PHE A 35 -14.058 -5.696 -0.783 1.00 0.00 H new ATOM 574 N ARG A 36 -13.649 2.291 -1.586 1.00 0.00 N ATOM 575 CA ARG A 36 -13.096 3.669 -1.605 1.00 0.00 C ATOM 576 C ARG A 36 -11.894 3.627 -0.697 1.00 0.00 C ATOM 577 O ARG A 36 -11.996 3.186 0.437 1.00 0.00 O ATOM 578 CB ARG A 36 -14.111 4.682 -1.026 1.00 0.00 C ATOM 579 CG ARG A 36 -14.767 5.479 -2.166 1.00 0.00 C ATOM 580 CD ARG A 36 -15.220 6.860 -1.655 1.00 0.00 C ATOM 581 NE ARG A 36 -15.950 6.714 -0.348 1.00 0.00 N ATOM 582 CZ ARG A 36 -17.271 6.791 -0.276 1.00 0.00 C ATOM 583 NH1 ARG A 36 -17.986 6.966 -1.357 1.00 0.00 N ATOM 584 NH2 ARG A 36 -17.857 6.654 0.865 1.00 0.00 N ATOM 0 H ARG A 36 -14.000 1.992 -0.676 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.858 3.978 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.875 4.157 -0.452 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.607 5.362 -0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.061 5.600 -2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.623 4.930 -2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.355 7.510 -1.526 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.869 7.334 -2.392 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.415 6.552 0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.527 7.044 -2.265 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.002 7.024 -1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.304 6.487 1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.873 6.712 0.927 1.00 0.00 H new ATOM 598 N LEU A 37 -10.767 4.055 -1.155 1.00 0.00 N ATOM 599 CA LEU A 37 -9.564 4.056 -0.287 1.00 0.00 C ATOM 600 C LEU A 37 -9.264 5.497 0.048 1.00 0.00 C ATOM 601 O LEU A 37 -9.420 6.374 -0.778 1.00 0.00 O ATOM 602 CB LEU A 37 -8.381 3.413 -1.029 1.00 0.00 C ATOM 603 CG LEU A 37 -7.180 3.221 -0.073 1.00 0.00 C ATOM 604 CD1 LEU A 37 -7.481 2.130 0.962 1.00 0.00 C ATOM 605 CD2 LEU A 37 -5.941 2.819 -0.880 1.00 0.00 C ATOM 0 H LEU A 37 -10.620 4.408 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.733 3.480 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.683 2.450 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.087 4.041 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.998 4.162 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.624 2.011 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.355 2.415 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.678 1.188 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.095 2.684 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.137 1.885 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.708 3.601 -1.602 1.00 0.00 H new ATOM 617 N THR A 38 -8.909 5.767 1.240 1.00 0.00 N ATOM 618 CA THR A 38 -8.674 7.164 1.656 1.00 0.00 C ATOM 619 C THR A 38 -7.574 7.170 2.711 1.00 0.00 C ATOM 620 O THR A 38 -7.153 6.130 3.151 1.00 0.00 O ATOM 621 CB THR A 38 -9.994 7.723 2.231 1.00 0.00 C ATOM 622 OG1 THR A 38 -10.695 6.690 2.953 1.00 0.00 O ATOM 623 CG2 THR A 38 -10.895 8.214 1.085 1.00 0.00 C ATOM 0 H THR A 38 -8.765 5.071 1.971 1.00 0.00 H new ATOM 0 HA THR A 38 -8.361 7.786 0.817 1.00 0.00 H new ATOM 0 HB THR A 38 -9.758 8.549 2.902 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.066 5.980 3.201 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.825 8.607 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.382 9.000 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.117 7.383 0.415 1.00 0.00 H new ATOM 631 N GLY A 39 -7.083 8.307 3.084 1.00 0.00 N ATOM 632 CA GLY A 39 -6.015 8.371 4.124 1.00 0.00 C ATOM 633 C GLY A 39 -4.757 8.966 3.534 1.00 0.00 C ATOM 634 O GLY A 39 -4.597 9.043 2.314 1.00 0.00 O ATOM 0 H GLY A 39 -7.375 9.211 2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.352 8.974 4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.809 7.372 4.509 1.00 0.00 H new ATOM 638 N LYS A 40 -3.857 9.384 4.381 1.00 0.00 N ATOM 639 CA LYS A 40 -2.573 9.956 3.915 1.00 0.00 C ATOM 640 C LYS A 40 -1.899 8.919 3.047 1.00 0.00 C ATOM 641 O LYS A 40 -1.541 7.851 3.516 1.00 0.00 O ATOM 642 CB LYS A 40 -1.678 10.282 5.135 1.00 0.00 C ATOM 643 CG LYS A 40 -1.584 9.065 6.095 1.00 0.00 C ATOM 644 CD LYS A 40 -1.465 9.542 7.549 1.00 0.00 C ATOM 645 CE LYS A 40 -0.034 10.044 7.821 1.00 0.00 C ATOM 646 NZ LYS A 40 0.143 10.302 9.262 1.00 0.00 N ATOM 0 H LYS A 40 -3.964 9.350 5.395 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.741 10.874 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.680 10.560 4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.084 11.141 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.467 8.435 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.721 8.453 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.182 10.341 7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.709 8.726 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.691 9.303 7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.155 10.955 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.111 10.640 9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.538 11.025 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.019 9.423 9.794 1.00 0.00 H new ATOM 660 N GLY A 41 -1.773 9.171 1.797 1.00 0.00 N ATOM 661 CA GLY A 41 -1.179 8.132 0.896 1.00 0.00 C ATOM 662 C GLY A 41 -2.150 7.887 -0.235 1.00 0.00 C ATOM 663 O GLY A 41 -1.804 7.317 -1.258 1.00 0.00 O ATOM 0 H GLY A 41 -2.048 10.042 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.218 8.469 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.995 7.210 1.447 1.00 0.00 H new ATOM 667 N VAL A 42 -3.381 8.266 -0.043 1.00 0.00 N ATOM 668 CA VAL A 42 -4.418 8.027 -1.068 1.00 0.00 C ATOM 669 C VAL A 42 -5.061 9.367 -1.436 1.00 0.00 C ATOM 670 O VAL A 42 -4.527 10.117 -2.249 1.00 0.00 O ATOM 671 CB VAL A 42 -5.457 7.046 -0.485 1.00 0.00 C ATOM 672 CG1 VAL A 42 -6.488 6.662 -1.549 1.00 0.00 C ATOM 673 CG2 VAL A 42 -4.738 5.782 -0.021 1.00 0.00 C ATOM 0 H VAL A 42 -3.713 8.739 0.798 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.993 7.591 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.968 7.527 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.213 5.970 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.003 7.558 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.983 6.185 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.464 5.082 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.231 5.320 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.006 6.040 0.744 1.00 0.00 H new ATOM 683 N ASP A 43 -6.191 9.684 -0.842 1.00 0.00 N ATOM 684 CA ASP A 43 -6.867 10.973 -1.150 1.00 0.00 C ATOM 685 C ASP A 43 -6.311 12.052 -0.255 1.00 0.00 C ATOM 686 O ASP A 43 -6.405 13.231 -0.561 1.00 0.00 O ATOM 687 CB ASP A 43 -8.382 10.862 -0.947 1.00 0.00 C ATOM 688 CG ASP A 43 -9.134 11.466 -2.131 1.00 0.00 C ATOM 689 OD1 ASP A 43 -8.629 12.371 -2.755 1.00 0.00 O ATOM 690 OD2 ASP A 43 -10.218 11.028 -2.384 1.00 0.00 O ATOM 0 H ASP A 43 -6.669 9.099 -0.157 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.682 11.223 -2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.662 9.815 -0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.669 11.374 -0.029 1.00 0.00 H new ATOM 695 N GLN A 44 -5.677 11.677 0.814 1.00 0.00 N ATOM 696 CA GLN A 44 -5.036 12.687 1.679 1.00 0.00 C ATOM 697 C GLN A 44 -3.549 12.574 1.474 1.00 0.00 C ATOM 698 O GLN A 44 -3.041 11.554 1.013 1.00 0.00 O ATOM 699 CB GLN A 44 -5.392 12.467 3.150 1.00 0.00 C ATOM 700 CG GLN A 44 -6.923 12.610 3.342 1.00 0.00 C ATOM 701 CD GLN A 44 -7.572 11.232 3.449 1.00 0.00 C ATOM 702 OE1 GLN A 44 -7.728 10.536 2.460 1.00 0.00 O ATOM 703 NE2 GLN A 44 -7.959 10.796 4.597 1.00 0.00 N ATOM 0 H GLN A 44 -5.577 10.711 1.124 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.390 13.683 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.066 11.477 3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.868 13.191 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.132 13.189 4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.352 13.158 2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.833 11.371 5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.392 9.876 4.673 1.00 0.00 H new ATOM 712 N GLU A 45 -2.861 13.604 1.752 1.00 0.00 N ATOM 713 CA GLU A 45 -1.410 13.627 1.498 1.00 0.00 C ATOM 714 C GLU A 45 -0.690 12.675 2.436 1.00 0.00 C ATOM 715 O GLU A 45 -1.054 12.557 3.592 1.00 0.00 O ATOM 716 CB GLU A 45 -0.867 15.050 1.618 1.00 0.00 C ATOM 717 CG GLU A 45 -1.563 15.940 0.561 1.00 0.00 C ATOM 718 CD GLU A 45 -0.904 15.780 -0.807 1.00 0.00 C ATOM 719 OE1 GLU A 45 -1.004 16.691 -1.579 1.00 0.00 O ATOM 720 OE2 GLU A 45 -0.305 14.763 -1.069 1.00 0.00 O ATOM 0 H GLU A 45 -3.240 14.461 2.156 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.228 13.288 0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.049 15.440 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.212 15.056 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.618 15.674 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.516 16.984 0.871 1.00 0.00 H new ATOM 727 N PRO A 46 0.318 11.973 1.950 1.00 0.00 N ATOM 728 CA PRO A 46 0.805 12.086 0.525 1.00 0.00 C ATOM 729 C PRO A 46 -0.211 11.479 -0.469 1.00 0.00 C ATOM 730 O PRO A 46 -0.520 10.323 -0.404 1.00 0.00 O ATOM 731 CB PRO A 46 2.125 11.293 0.507 1.00 0.00 C ATOM 732 CG PRO A 46 2.381 10.836 1.924 1.00 0.00 C ATOM 733 CD PRO A 46 1.078 10.983 2.711 1.00 0.00 C ATOM 0 HA PRO A 46 0.935 13.124 0.220 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.054 10.439 -0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.945 11.915 0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.718 9.799 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.171 11.433 2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.544 10.035 2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.263 11.319 3.731 1.00 0.00 H new ATOM 741 N LYS A 47 -0.808 12.278 -1.292 1.00 0.00 N ATOM 742 CA LYS A 47 -1.898 11.770 -2.162 1.00 0.00 C ATOM 743 C LYS A 47 -1.378 10.821 -3.225 1.00 0.00 C ATOM 744 O LYS A 47 -0.286 10.990 -3.763 1.00 0.00 O ATOM 745 CB LYS A 47 -2.606 12.944 -2.850 1.00 0.00 C ATOM 746 CG LYS A 47 -3.775 13.438 -1.992 1.00 0.00 C ATOM 747 CD LYS A 47 -4.422 14.685 -2.636 1.00 0.00 C ATOM 748 CE LYS A 47 -5.630 14.286 -3.508 1.00 0.00 C ATOM 749 NZ LYS A 47 -5.196 13.390 -4.611 1.00 0.00 N ATOM 0 H LYS A 47 -0.590 13.268 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.594 11.225 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.899 13.757 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.971 12.634 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.518 12.647 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.423 13.679 -0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.743 15.377 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.685 15.209 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.379 13.784 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.101 15.179 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.910 13.399 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.286 13.722 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.087 12.421 -4.249 1.00 0.00 H new ATOM 763 N GLY A 48 -2.222 9.938 -3.650 1.00 0.00 N ATOM 764 CA GLY A 48 -1.918 9.066 -4.818 1.00 0.00 C ATOM 765 C GLY A 48 -0.840 8.034 -4.538 1.00 0.00 C ATOM 766 O GLY A 48 -0.493 7.294 -5.423 1.00 0.00 O ATOM 0 H GLY A 48 -3.137 9.775 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.829 8.554 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.604 9.690 -5.655 1.00 0.00 H new ATOM 770 N ILE A 49 -0.343 7.904 -3.335 1.00 0.00 N ATOM 771 CA ILE A 49 0.677 6.818 -3.093 1.00 0.00 C ATOM 772 C ILE A 49 -0.017 5.499 -3.292 1.00 0.00 C ATOM 773 O ILE A 49 0.492 4.591 -3.939 1.00 0.00 O ATOM 774 CB ILE A 49 1.226 6.878 -1.651 1.00 0.00 C ATOM 775 CG1 ILE A 49 1.678 8.297 -1.330 1.00 0.00 C ATOM 776 CG2 ILE A 49 2.413 5.907 -1.490 1.00 0.00 C ATOM 777 CD1 ILE A 49 2.998 8.615 -2.058 1.00 0.00 C ATOM 0 H ILE A 49 -0.584 8.479 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 49 1.514 6.945 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 49 0.434 6.585 -0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.908 9.008 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.812 8.409 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.790 5.960 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.083 4.890 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.206 6.184 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.309 9.632 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.769 7.915 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.851 8.523 -3.134 1.00 0.00 H new ATOM 789 N PHE A 50 -1.161 5.374 -2.717 1.00 0.00 N ATOM 790 CA PHE A 50 -1.920 4.105 -2.819 1.00 0.00 C ATOM 791 C PHE A 50 -3.213 4.327 -3.564 1.00 0.00 C ATOM 792 O PHE A 50 -3.882 5.335 -3.385 1.00 0.00 O ATOM 793 CB PHE A 50 -2.235 3.581 -1.422 1.00 0.00 C ATOM 794 CG PHE A 50 -0.980 3.025 -0.819 1.00 0.00 C ATOM 795 CD1 PHE A 50 -0.585 1.719 -1.116 1.00 0.00 C ATOM 796 CD2 PHE A 50 -0.206 3.818 0.030 1.00 0.00 C ATOM 797 CE1 PHE A 50 0.585 1.208 -0.561 1.00 0.00 C ATOM 798 CE2 PHE A 50 0.962 3.305 0.583 1.00 0.00 C ATOM 799 CZ PHE A 50 1.361 2.003 0.290 1.00 0.00 C ATOM 0 H PHE A 50 -1.616 6.105 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.313 3.379 -3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.630 4.383 -0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.003 2.809 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.185 1.108 -1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.514 4.828 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.894 0.198 -0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.561 3.917 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.269 1.607 0.720 1.00 0.00 H new ATOM 809 N ARG A 51 -3.619 3.360 -4.326 1.00 0.00 N ATOM 810 CA ARG A 51 -4.928 3.420 -5.020 1.00 0.00 C ATOM 811 C ARG A 51 -5.523 2.024 -4.997 1.00 0.00 C ATOM 812 O ARG A 51 -4.805 1.028 -5.167 1.00 0.00 O ATOM 813 CB ARG A 51 -4.768 3.925 -6.463 1.00 0.00 C ATOM 814 CG ARG A 51 -3.631 3.204 -7.215 1.00 0.00 C ATOM 815 CD ARG A 51 -3.691 3.593 -8.716 1.00 0.00 C ATOM 816 NE ARG A 51 -4.615 4.785 -8.901 1.00 0.00 N ATOM 817 CZ ARG A 51 -4.169 6.027 -8.855 1.00 0.00 C ATOM 818 NH1 ARG A 51 -2.895 6.260 -8.754 1.00 0.00 N ATOM 819 NH2 ARG A 51 -5.009 7.013 -8.925 1.00 0.00 N ATOM 0 H ARG A 51 -3.085 2.509 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.590 4.123 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.705 3.781 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.569 4.997 -6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.665 3.481 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.730 2.124 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.692 3.836 -9.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.048 2.749 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.608 4.621 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.236 5.482 -8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.553 7.220 -8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.008 6.827 -9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.671 7.975 -8.890 1.00 0.00 H new ATOM 833 N ILE A 52 -6.788 1.912 -4.703 1.00 0.00 N ATOM 834 CA ILE A 52 -7.415 0.581 -4.578 1.00 0.00 C ATOM 835 C ILE A 52 -8.357 0.337 -5.750 1.00 0.00 C ATOM 836 O ILE A 52 -8.884 1.275 -6.354 1.00 0.00 O ATOM 837 CB ILE A 52 -8.189 0.509 -3.233 1.00 0.00 C ATOM 838 CG1 ILE A 52 -8.232 -0.943 -2.738 1.00 0.00 C ATOM 839 CG2 ILE A 52 -9.630 1.057 -3.390 1.00 0.00 C ATOM 840 CD1 ILE A 52 -9.355 -1.124 -1.722 1.00 0.00 C ATOM 0 H ILE A 52 -7.416 2.700 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.646 -0.191 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.668 1.128 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.383 -1.617 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.277 -1.208 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.149 0.995 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.590 2.097 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -10.165 0.465 -4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.373 -2.159 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.186 -0.464 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.310 -0.879 -2.187 1.00 0.00 H new ATOM 852 N ASN A 53 -8.628 -0.893 -6.034 1.00 0.00 N ATOM 853 CA ASN A 53 -9.608 -1.224 -7.104 1.00 0.00 C ATOM 854 C ASN A 53 -10.987 -1.196 -6.463 1.00 0.00 C ATOM 855 O ASN A 53 -11.210 -1.819 -5.436 1.00 0.00 O ATOM 856 CB ASN A 53 -9.327 -2.622 -7.637 1.00 0.00 C ATOM 857 CG ASN A 53 -10.421 -3.035 -8.631 1.00 0.00 C ATOM 858 OD1 ASN A 53 -11.572 -3.183 -8.264 1.00 0.00 O ATOM 859 ND2 ASN A 53 -10.124 -3.219 -9.869 1.00 0.00 N ATOM 0 H ASN A 53 -8.211 -1.699 -5.569 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.542 -0.516 -7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.353 -2.645 -8.126 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.286 -3.333 -6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.850 -3.486 -10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.162 -3.097 -10.186 1.00 0.00 H new ATOM 866 N GLU A 54 -11.889 -0.460 -7.021 1.00 0.00 N ATOM 867 CA GLU A 54 -13.248 -0.325 -6.427 1.00 0.00 C ATOM 868 C GLU A 54 -13.938 -1.676 -6.329 1.00 0.00 C ATOM 869 O GLU A 54 -14.642 -1.936 -5.380 1.00 0.00 O ATOM 870 CB GLU A 54 -14.092 0.621 -7.281 1.00 0.00 C ATOM 871 CG GLU A 54 -13.276 1.865 -7.697 1.00 0.00 C ATOM 872 CD GLU A 54 -13.630 2.227 -9.112 1.00 0.00 C ATOM 873 OE1 GLU A 54 -13.373 1.430 -9.980 1.00 0.00 O ATOM 874 OE2 GLU A 54 -14.179 3.276 -9.312 1.00 0.00 O ATOM 0 H GLU A 54 -11.747 0.068 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.143 0.081 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -14.444 0.098 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.975 0.931 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.492 2.699 -7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.208 1.660 -7.616 1.00 0.00 H new ATOM 881 N ASN A 55 -13.779 -2.523 -7.292 1.00 0.00 N ATOM 882 CA ASN A 55 -14.490 -3.819 -7.262 1.00 0.00 C ATOM 883 C ASN A 55 -13.689 -4.881 -6.531 1.00 0.00 C ATOM 884 O ASN A 55 -14.232 -5.650 -5.735 1.00 0.00 O ATOM 885 CB ASN A 55 -14.756 -4.291 -8.678 1.00 0.00 C ATOM 886 CG ASN A 55 -15.203 -5.753 -8.656 1.00 0.00 C ATOM 887 OD1 ASN A 55 -16.069 -6.126 -7.878 1.00 0.00 O ATOM 888 ND2 ASN A 55 -14.656 -6.604 -9.455 1.00 0.00 N ATOM 0 H ASN A 55 -13.183 -2.374 -8.106 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.429 -3.667 -6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.525 -3.672 -9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -13.855 -4.185 -9.283 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -14.946 -7.582 -9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.933 -6.300 -10.107 1.00 0.00 H new ATOM 895 N THR A 56 -12.454 -5.003 -6.850 1.00 0.00 N ATOM 896 CA THR A 56 -11.625 -6.100 -6.278 1.00 0.00 C ATOM 897 C THR A 56 -11.169 -5.721 -4.889 1.00 0.00 C ATOM 898 O THR A 56 -10.987 -6.566 -4.031 1.00 0.00 O ATOM 899 CB THR A 56 -10.398 -6.353 -7.190 1.00 0.00 C ATOM 900 OG1 THR A 56 -9.373 -5.397 -6.899 1.00 0.00 O ATOM 901 CG2 THR A 56 -10.795 -6.233 -8.677 1.00 0.00 C ATOM 0 H THR A 56 -11.961 -4.384 -7.494 1.00 0.00 H new ATOM 0 HA THR A 56 -12.219 -7.012 -6.219 1.00 0.00 H new ATOM 0 HB THR A 56 -10.029 -7.361 -7.000 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.501 -5.844 -6.894 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.921 -6.414 -9.303 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.565 -6.969 -8.908 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.179 -5.232 -8.871 1.00 0.00 H new ATOM 909 N GLY A 57 -10.918 -4.471 -4.683 1.00 0.00 N ATOM 910 CA GLY A 57 -10.399 -4.024 -3.365 1.00 0.00 C ATOM 911 C GLY A 57 -8.895 -4.213 -3.354 1.00 0.00 C ATOM 912 O GLY A 57 -8.235 -4.084 -2.323 1.00 0.00 O ATOM 0 H GLY A 57 -11.049 -3.730 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.651 -2.978 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.859 -4.599 -2.561 1.00 0.00 H new ATOM 916 N SER A 58 -8.322 -4.504 -4.494 1.00 0.00 N ATOM 917 CA SER A 58 -6.855 -4.666 -4.565 1.00 0.00 C ATOM 918 C SER A 58 -6.206 -3.320 -4.239 1.00 0.00 C ATOM 919 O SER A 58 -6.467 -2.328 -4.900 1.00 0.00 O ATOM 920 CB SER A 58 -6.458 -5.113 -5.976 1.00 0.00 C ATOM 921 OG SER A 58 -7.228 -6.284 -6.358 1.00 0.00 O ATOM 0 H SER A 58 -8.816 -4.635 -5.377 1.00 0.00 H new ATOM 0 HA SER A 58 -6.521 -5.420 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.633 -4.304 -6.686 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.393 -5.341 -6.009 1.00 0.00 H new ATOM 0 HG SER A 58 -6.971 -6.564 -7.261 1.00 0.00 H new ATOM 927 N VAL A 59 -5.377 -3.280 -3.238 1.00 0.00 N ATOM 928 CA VAL A 59 -4.679 -2.027 -2.862 1.00 0.00 C ATOM 929 C VAL A 59 -3.380 -1.973 -3.663 1.00 0.00 C ATOM 930 O VAL A 59 -2.608 -2.926 -3.674 1.00 0.00 O ATOM 931 CB VAL A 59 -4.359 -2.041 -1.346 1.00 0.00 C ATOM 932 CG1 VAL A 59 -4.251 -0.606 -0.815 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.472 -2.780 -0.572 1.00 0.00 C ATOM 0 H VAL A 59 -5.150 -4.083 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.302 -1.158 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.410 -2.557 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.026 -0.629 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.455 -0.082 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.196 -0.087 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.235 -2.783 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.424 -2.273 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.544 -3.807 -0.930 1.00 0.00 H new ATOM 943 N SER A 60 -3.140 -0.903 -4.341 1.00 0.00 N ATOM 944 CA SER A 60 -1.916 -0.802 -5.175 1.00 0.00 C ATOM 945 C SER A 60 -1.120 0.437 -4.771 1.00 0.00 C ATOM 946 O SER A 60 -1.697 1.461 -4.430 1.00 0.00 O ATOM 947 CB SER A 60 -2.331 -0.712 -6.654 1.00 0.00 C ATOM 948 OG SER A 60 -3.778 -0.651 -6.751 1.00 0.00 O ATOM 0 H SER A 60 -3.743 -0.080 -4.358 1.00 0.00 H new ATOM 0 HA SER A 60 -1.288 -1.681 -5.027 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.888 0.172 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.956 -1.577 -7.201 1.00 0.00 H new ATOM 0 HG SER A 60 -4.099 0.176 -6.334 1.00 0.00 H new ATOM 954 N VAL A 61 0.181 0.370 -4.838 1.00 0.00 N ATOM 955 CA VAL A 61 1.025 1.556 -4.506 1.00 0.00 C ATOM 956 C VAL A 61 1.480 2.184 -5.821 1.00 0.00 C ATOM 957 O VAL A 61 1.573 1.492 -6.830 1.00 0.00 O ATOM 958 CB VAL A 61 2.241 1.108 -3.659 1.00 0.00 C ATOM 959 CG1 VAL A 61 3.216 0.264 -4.496 1.00 0.00 C ATOM 960 CG2 VAL A 61 2.974 2.339 -3.102 1.00 0.00 C ATOM 0 H VAL A 61 0.702 -0.463 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 61 0.463 2.286 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 61 1.873 0.496 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.061 -0.037 -3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.703 -0.623 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.576 0.854 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.828 2.016 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.321 2.960 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.293 2.915 -2.476 1.00 0.00 H new ATOM 970 N THR A 62 1.677 3.475 -5.855 1.00 0.00 N ATOM 971 CA THR A 62 2.031 4.159 -7.130 1.00 0.00 C ATOM 972 C THR A 62 3.539 4.438 -7.238 1.00 0.00 C ATOM 973 O THR A 62 4.038 4.728 -8.325 1.00 0.00 O ATOM 974 CB THR A 62 1.263 5.468 -7.191 1.00 0.00 C ATOM 975 OG1 THR A 62 1.473 6.174 -5.979 1.00 0.00 O ATOM 976 CG2 THR A 62 -0.234 5.176 -7.356 1.00 0.00 C ATOM 0 H THR A 62 1.607 4.090 -5.044 1.00 0.00 H new ATOM 0 HA THR A 62 1.766 3.507 -7.962 1.00 0.00 H new ATOM 0 HB THR A 62 1.609 6.063 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.912 6.978 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.785 6.115 -7.400 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.396 4.617 -8.277 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.586 4.588 -6.508 1.00 0.00 H new ATOM 984 N ARG A 63 4.268 4.395 -6.160 1.00 0.00 N ATOM 985 CA ARG A 63 5.730 4.695 -6.249 1.00 0.00 C ATOM 986 C ARG A 63 6.508 3.854 -5.255 1.00 0.00 C ATOM 987 O ARG A 63 5.953 3.279 -4.337 1.00 0.00 O ATOM 988 CB ARG A 63 5.994 6.200 -5.984 1.00 0.00 C ATOM 989 CG ARG A 63 5.193 6.700 -4.759 1.00 0.00 C ATOM 990 CD ARG A 63 6.093 6.685 -3.513 1.00 0.00 C ATOM 991 NE ARG A 63 6.707 8.040 -3.304 1.00 0.00 N ATOM 992 CZ ARG A 63 7.850 8.176 -2.643 1.00 0.00 C ATOM 993 NH1 ARG A 63 8.562 7.142 -2.352 1.00 0.00 N ATOM 994 NH2 ARG A 63 8.282 9.359 -2.324 1.00 0.00 N ATOM 0 H ARG A 63 3.923 4.168 -5.227 1.00 0.00 H new ATOM 0 HA ARG A 63 6.065 4.450 -7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.059 6.361 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.718 6.781 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.823 7.709 -4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.321 6.065 -4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.510 6.402 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.876 5.936 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 63 6.239 8.867 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.248 6.212 -2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.439 7.254 -1.844 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.743 10.186 -2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.161 9.461 -1.816 1.00 0.00 H new ATOM 1008 N THR A 64 7.791 3.828 -5.405 1.00 0.00 N ATOM 1009 CA THR A 64 8.666 3.082 -4.473 1.00 0.00 C ATOM 1010 C THR A 64 8.421 3.640 -3.055 1.00 0.00 C ATOM 1011 O THR A 64 8.493 4.838 -2.828 1.00 0.00 O ATOM 1012 CB THR A 64 10.139 3.287 -4.935 1.00 0.00 C ATOM 1013 OG1 THR A 64 11.014 2.357 -4.302 1.00 0.00 O ATOM 1014 CG2 THR A 64 10.606 4.719 -4.655 1.00 0.00 C ATOM 0 H THR A 64 8.287 4.307 -6.157 1.00 0.00 H new ATOM 0 HA THR A 64 8.456 2.012 -4.465 1.00 0.00 H new ATOM 0 HB THR A 64 10.171 3.112 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.939 1.485 -4.743 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.638 4.837 -4.987 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.969 5.421 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.544 4.919 -3.585 1.00 0.00 H new ATOM 1022 N LEU A 65 8.038 2.819 -2.131 1.00 0.00 N ATOM 1023 CA LEU A 65 7.706 3.346 -0.775 1.00 0.00 C ATOM 1024 C LEU A 65 8.976 3.586 0.009 1.00 0.00 C ATOM 1025 O LEU A 65 9.932 2.832 -0.094 1.00 0.00 O ATOM 1026 CB LEU A 65 6.813 2.349 -0.035 1.00 0.00 C ATOM 1027 CG LEU A 65 5.451 2.280 -0.740 1.00 0.00 C ATOM 1028 CD1 LEU A 65 4.647 1.102 -0.212 1.00 0.00 C ATOM 1029 CD2 LEU A 65 4.666 3.579 -0.496 1.00 0.00 C ATOM 0 H LEU A 65 7.938 1.810 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 65 7.172 4.290 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.280 1.364 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.685 2.656 1.003 1.00 0.00 H new ATOM 0 HG LEU A 65 5.620 2.152 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.683 1.063 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.192 0.177 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.489 1.221 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.701 3.521 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.509 3.714 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.230 4.425 -0.889 1.00 0.00 H new ATOM 1041 N ASP A 66 9.016 4.642 0.752 1.00 0.00 N ATOM 1042 CA ASP A 66 10.217 4.990 1.550 1.00 0.00 C ATOM 1043 C ASP A 66 9.799 5.137 2.996 1.00 0.00 C ATOM 1044 O ASP A 66 9.031 6.028 3.355 1.00 0.00 O ATOM 1045 CB ASP A 66 10.839 6.329 1.076 1.00 0.00 C ATOM 1046 CG ASP A 66 9.905 7.106 0.156 1.00 0.00 C ATOM 1047 OD1 ASP A 66 8.711 7.140 0.401 1.00 0.00 O ATOM 1048 OD2 ASP A 66 10.404 7.666 -0.804 1.00 0.00 O ATOM 0 H ASP A 66 8.244 5.302 0.845 1.00 0.00 H new ATOM 0 HA ASP A 66 10.960 4.202 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.083 6.941 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.775 6.128 0.555 1.00 0.00 H new ATOM 1053 N ARG A 67 10.323 4.312 3.838 1.00 0.00 N ATOM 1054 CA ARG A 67 10.006 4.383 5.290 1.00 0.00 C ATOM 1055 C ARG A 67 10.419 5.745 5.846 1.00 0.00 C ATOM 1056 O ARG A 67 10.080 6.088 6.960 1.00 0.00 O ATOM 1057 CB ARG A 67 10.802 3.301 6.022 1.00 0.00 C ATOM 1058 CG ARG A 67 9.984 2.008 6.132 1.00 0.00 C ATOM 1059 CD ARG A 67 10.886 0.839 6.592 1.00 0.00 C ATOM 1060 NE ARG A 67 12.332 1.203 6.391 1.00 0.00 N ATOM 1061 CZ ARG A 67 13.107 1.583 7.381 1.00 0.00 C ATOM 1062 NH1 ARG A 67 12.672 1.560 8.617 1.00 0.00 N ATOM 1063 NH2 ARG A 67 14.322 1.969 7.116 1.00 0.00 N ATOM 0 H ARG A 67 10.975 3.570 3.582 1.00 0.00 H new ATOM 0 HA ARG A 67 8.935 4.238 5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.733 3.104 5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.072 3.652 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.167 2.146 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.534 1.771 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.700 0.616 7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.646 -0.062 6.027 1.00 0.00 H new ATOM 0 HE ARG A 67 12.725 1.153 5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.723 1.245 8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.282 1.857 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.657 1.973 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.939 2.268 7.872 1.00 0.00 H new ATOM 1077 N GLU A 68 11.206 6.487 5.132 1.00 0.00 N ATOM 1078 CA GLU A 68 11.690 7.784 5.657 1.00 0.00 C ATOM 1079 C GLU A 68 10.593 8.804 5.509 1.00 0.00 C ATOM 1080 O GLU A 68 10.484 9.756 6.284 1.00 0.00 O ATOM 1081 CB GLU A 68 12.917 8.238 4.867 1.00 0.00 C ATOM 1082 CG GLU A 68 13.840 7.039 4.591 1.00 0.00 C ATOM 1083 CD GLU A 68 13.500 6.455 3.253 1.00 0.00 C ATOM 1084 OE1 GLU A 68 13.931 6.997 2.273 1.00 0.00 O ATOM 1085 OE2 GLU A 68 12.803 5.483 3.226 1.00 0.00 O ATOM 0 H GLU A 68 11.538 6.248 4.198 1.00 0.00 H new ATOM 0 HA GLU A 68 11.964 7.677 6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.606 8.692 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.457 9.002 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.883 7.356 4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.722 6.286 5.371 1.00 0.00 H new ATOM 1092 N VAL A 69 9.766 8.613 4.542 1.00 0.00 N ATOM 1093 CA VAL A 69 8.657 9.534 4.318 1.00 0.00 C ATOM 1094 C VAL A 69 7.535 9.107 5.239 1.00 0.00 C ATOM 1095 O VAL A 69 7.029 9.887 6.032 1.00 0.00 O ATOM 1096 CB VAL A 69 8.244 9.431 2.843 1.00 0.00 C ATOM 1097 CG1 VAL A 69 7.223 10.502 2.515 1.00 0.00 C ATOM 1098 CG2 VAL A 69 9.483 9.641 1.958 1.00 0.00 C ATOM 0 H VAL A 69 9.818 7.836 3.883 1.00 0.00 H new ATOM 0 HA VAL A 69 8.922 10.570 4.528 1.00 0.00 H new ATOM 0 HB VAL A 69 7.810 8.448 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.935 10.422 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.343 10.370 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.656 11.486 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.197 9.569 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.906 10.627 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.226 8.876 2.185 1.00 0.00 H new ATOM 1108 N ILE A 70 7.178 7.868 5.175 1.00 0.00 N ATOM 1109 CA ILE A 70 6.145 7.326 6.043 1.00 0.00 C ATOM 1110 C ILE A 70 6.534 5.898 6.362 1.00 0.00 C ATOM 1111 O ILE A 70 6.853 5.124 5.477 1.00 0.00 O ATOM 1112 CB ILE A 70 4.804 7.391 5.296 1.00 0.00 C ATOM 1113 CG1 ILE A 70 4.129 8.740 5.603 1.00 0.00 C ATOM 1114 CG2 ILE A 70 3.899 6.240 5.725 1.00 0.00 C ATOM 1115 CD1 ILE A 70 2.658 8.675 5.242 1.00 0.00 C ATOM 0 H ILE A 70 7.582 7.191 4.528 1.00 0.00 H new ATOM 0 HA ILE A 70 6.044 7.888 6.971 1.00 0.00 H new ATOM 0 HB ILE A 70 4.980 7.303 4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.243 8.981 6.660 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.616 9.536 5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.953 6.301 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.385 5.291 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.711 6.305 6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.187 9.633 5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.553 8.455 4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.175 7.891 5.825 1.00 0.00 H new ATOM 1127 N ALA A 71 6.475 5.532 7.599 1.00 0.00 N ATOM 1128 CA ALA A 71 6.806 4.136 7.980 1.00 0.00 C ATOM 1129 C ALA A 71 5.560 3.298 7.786 1.00 0.00 C ATOM 1130 O ALA A 71 5.626 2.084 7.600 1.00 0.00 O ATOM 1131 CB ALA A 71 7.227 4.085 9.453 1.00 0.00 C ATOM 0 H ALA A 71 6.210 6.141 8.373 1.00 0.00 H new ATOM 0 HA ALA A 71 7.626 3.760 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.469 3.058 9.727 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.103 4.716 9.603 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.409 4.444 10.078 1.00 0.00 H new ATOM 1137 N VAL A 72 4.425 3.919 7.856 1.00 0.00 N ATOM 1138 CA VAL A 72 3.156 3.178 7.699 1.00 0.00 C ATOM 1139 C VAL A 72 2.082 4.149 7.213 1.00 0.00 C ATOM 1140 O VAL A 72 1.958 5.241 7.730 1.00 0.00 O ATOM 1141 CB VAL A 72 2.758 2.559 9.064 1.00 0.00 C ATOM 1142 CG1 VAL A 72 2.912 3.592 10.196 1.00 0.00 C ATOM 1143 CG2 VAL A 72 1.310 2.054 9.025 1.00 0.00 C ATOM 0 H VAL A 72 4.322 4.921 8.017 1.00 0.00 H new ATOM 0 HA VAL A 72 3.266 2.374 6.971 1.00 0.00 H new ATOM 0 HB VAL A 72 3.424 1.719 9.258 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.628 3.137 11.145 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.949 3.922 10.248 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.268 4.449 9.997 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.049 1.623 9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.640 2.886 8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.210 1.294 8.250 1.00 0.00 H new ATOM 1153 N TYR A 73 1.285 3.754 6.269 1.00 0.00 N ATOM 1154 CA TYR A 73 0.184 4.636 5.800 1.00 0.00 C ATOM 1155 C TYR A 73 -1.097 4.168 6.458 1.00 0.00 C ATOM 1156 O TYR A 73 -1.489 3.009 6.322 1.00 0.00 O ATOM 1157 CB TYR A 73 0.026 4.546 4.271 1.00 0.00 C ATOM 1158 CG TYR A 73 1.307 4.974 3.589 1.00 0.00 C ATOM 1159 CD1 TYR A 73 1.387 6.232 2.983 1.00 0.00 C ATOM 1160 CD2 TYR A 73 2.411 4.113 3.558 1.00 0.00 C ATOM 1161 CE1 TYR A 73 2.570 6.635 2.351 1.00 0.00 C ATOM 1162 CE2 TYR A 73 3.594 4.517 2.923 1.00 0.00 C ATOM 1163 CZ TYR A 73 3.672 5.780 2.320 1.00 0.00 C ATOM 1164 OH TYR A 73 4.844 6.187 1.705 1.00 0.00 O ATOM 0 H TYR A 73 1.347 2.852 5.797 1.00 0.00 H new ATOM 0 HA TYR A 73 0.408 5.670 6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.225 3.525 3.983 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.798 5.181 3.945 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.534 6.894 3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.351 3.140 4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.629 7.609 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.446 3.854 2.898 1.00 0.00 H new ATOM 0 HH TYR A 73 5.513 5.475 1.773 1.00 0.00 H new ATOM 1174 N GLN A 74 -1.746 5.036 7.169 1.00 0.00 N ATOM 1175 CA GLN A 74 -3.024 4.679 7.829 1.00 0.00 C ATOM 1176 C GLN A 74 -4.139 5.054 6.865 1.00 0.00 C ATOM 1177 O GLN A 74 -4.564 6.210 6.802 1.00 0.00 O ATOM 1178 CB GLN A 74 -3.174 5.485 9.142 1.00 0.00 C ATOM 1179 CG GLN A 74 -4.282 4.870 10.028 1.00 0.00 C ATOM 1180 CD GLN A 74 -3.814 3.531 10.596 1.00 0.00 C ATOM 1181 OE1 GLN A 74 -4.546 2.559 10.583 1.00 0.00 O ATOM 1182 NE2 GLN A 74 -2.629 3.432 11.097 1.00 0.00 N ATOM 0 H GLN A 74 -1.439 5.996 7.324 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.058 3.617 8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.228 5.490 9.683 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.416 6.523 8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.530 5.553 10.841 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.190 4.728 9.443 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.011 4.244 11.110 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.310 2.542 11.480 1.00 0.00 H new ATOM 1191 N LEU A 75 -4.575 4.134 6.077 1.00 0.00 N ATOM 1192 CA LEU A 75 -5.630 4.423 5.104 1.00 0.00 C ATOM 1193 C LEU A 75 -6.971 4.140 5.734 1.00 0.00 C ATOM 1194 O LEU A 75 -7.071 3.525 6.779 1.00 0.00 O ATOM 1195 CB LEU A 75 -5.473 3.544 3.857 1.00 0.00 C ATOM 1196 CG LEU A 75 -4.251 3.955 2.984 1.00 0.00 C ATOM 1197 CD1 LEU A 75 -3.754 5.373 3.295 1.00 0.00 C ATOM 1198 CD2 LEU A 75 -3.128 2.978 3.226 1.00 0.00 C ATOM 0 H LEU A 75 -4.235 3.172 6.068 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.558 5.470 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.363 2.503 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.381 3.606 3.257 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.571 3.941 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.901 5.608 2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.555 6.088 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.453 5.432 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.266 3.256 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.851 2.996 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.454 1.974 2.954 1.00 0.00 H new ATOM 1210 N PHE A 76 -7.985 4.520 5.066 1.00 0.00 N ATOM 1211 CA PHE A 76 -9.365 4.240 5.494 1.00 0.00 C ATOM 1212 C PHE A 76 -10.092 3.719 4.278 1.00 0.00 C ATOM 1213 O PHE A 76 -9.926 4.246 3.170 1.00 0.00 O ATOM 1214 CB PHE A 76 -10.033 5.508 6.033 1.00 0.00 C ATOM 1215 CG PHE A 76 -9.351 5.888 7.333 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -8.233 6.735 7.323 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -9.823 5.375 8.546 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -7.593 7.061 8.524 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -9.184 5.706 9.742 1.00 0.00 C ATOM 1220 CZ PHE A 76 -8.070 6.547 9.733 1.00 0.00 C ATOM 0 H PHE A 76 -7.920 5.042 4.192 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.387 3.509 6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.949 6.319 5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.097 5.336 6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.866 7.135 6.389 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.683 4.722 8.557 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.730 7.710 8.517 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.553 5.310 10.677 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.577 6.800 10.660 1.00 0.00 H new ATOM 1230 N VAL A 77 -10.776 2.637 4.431 1.00 0.00 N ATOM 1231 CA VAL A 77 -11.430 1.955 3.291 1.00 0.00 C ATOM 1232 C VAL A 77 -12.940 1.934 3.497 1.00 0.00 C ATOM 1233 O VAL A 77 -13.413 1.836 4.603 1.00 0.00 O ATOM 1234 CB VAL A 77 -10.922 0.498 3.214 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -10.555 0.145 1.763 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -9.682 0.294 4.124 1.00 0.00 C ATOM 0 H VAL A 77 -10.916 2.177 5.331 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.193 2.489 2.371 1.00 0.00 H new ATOM 0 HB VAL A 77 -11.721 -0.158 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.198 -0.884 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.435 0.252 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.771 0.817 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.344 -0.740 4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.882 0.961 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.948 0.517 5.157 1.00 0.00 H new ATOM 1246 N GLU A 78 -13.688 1.943 2.447 1.00 0.00 N ATOM 1247 CA GLU A 78 -15.169 1.836 2.576 1.00 0.00 C ATOM 1248 C GLU A 78 -15.704 1.073 1.386 1.00 0.00 C ATOM 1249 O GLU A 78 -15.266 1.297 0.268 1.00 0.00 O ATOM 1250 CB GLU A 78 -15.828 3.226 2.557 1.00 0.00 C ATOM 1251 CG GLU A 78 -14.831 4.352 2.886 1.00 0.00 C ATOM 1252 CD GLU A 78 -15.472 5.681 2.531 1.00 0.00 C ATOM 1253 OE1 GLU A 78 -16.622 5.887 2.862 1.00 0.00 O ATOM 1254 OE2 GLU A 78 -14.828 6.479 1.900 1.00 0.00 O ATOM 0 H GLU A 78 -13.343 2.020 1.490 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.394 1.336 3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.263 3.405 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.646 3.247 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.568 4.329 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.907 4.215 2.325 1.00 0.00 H new ATOM 1261 N THR A 79 -16.738 0.325 1.566 1.00 0.00 N ATOM 1262 CA THR A 79 -17.413 -0.263 0.393 1.00 0.00 C ATOM 1263 C THR A 79 -18.538 0.693 0.079 1.00 0.00 C ATOM 1264 O THR A 79 -19.152 1.262 0.992 1.00 0.00 O ATOM 1265 CB THR A 79 -17.947 -1.675 0.685 1.00 0.00 C ATOM 1266 OG1 THR A 79 -17.619 -2.056 2.011 1.00 0.00 O ATOM 1267 CG2 THR A 79 -17.320 -2.673 -0.300 1.00 0.00 C ATOM 0 H THR A 79 -17.147 0.094 2.471 1.00 0.00 H new ATOM 0 HA THR A 79 -16.727 -0.386 -0.445 1.00 0.00 H new ATOM 0 HB THR A 79 -19.031 -1.675 0.571 1.00 0.00 H new ATOM 0 HG1 THR A 79 -18.001 -2.938 2.202 1.00 0.00 H new ATOM 0 HG21 THR A 79 -17.698 -3.674 -0.094 1.00 0.00 H new ATOM 0 HG22 THR A 79 -17.580 -2.390 -1.320 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.236 -2.664 -0.186 1.00 0.00 H new ATOM 1275 N THR A 80 -18.725 1.009 -1.152 1.00 0.00 N ATOM 1276 CA THR A 80 -19.669 2.063 -1.498 1.00 0.00 C ATOM 1277 C THR A 80 -20.682 1.589 -2.484 1.00 0.00 C ATOM 1278 O THR A 80 -20.437 0.699 -3.270 1.00 0.00 O ATOM 1279 CB THR A 80 -18.913 3.220 -2.115 1.00 0.00 C ATOM 1280 OG1 THR A 80 -18.096 2.738 -3.213 1.00 0.00 O ATOM 1281 CG2 THR A 80 -18.036 3.891 -1.066 1.00 0.00 C ATOM 0 H THR A 80 -18.253 0.571 -1.944 1.00 0.00 H new ATOM 0 HA THR A 80 -20.183 2.367 -0.586 1.00 0.00 H new ATOM 0 HB THR A 80 -19.626 3.952 -2.494 1.00 0.00 H new ATOM 0 HG1 THR A 80 -17.355 2.203 -2.859 1.00 0.00 H new ATOM 0 HG21 THR A 80 -17.496 4.722 -1.520 1.00 0.00 H new ATOM 0 HG22 THR A 80 -18.661 4.264 -0.254 1.00 0.00 H new ATOM 0 HG23 THR A 80 -17.322 3.168 -0.672 1.00 0.00 H new ATOM 1289 N ASP A 81 -21.773 2.255 -2.526 1.00 0.00 N ATOM 1290 CA ASP A 81 -22.781 1.959 -3.545 1.00 0.00 C ATOM 1291 C ASP A 81 -22.337 2.617 -4.827 1.00 0.00 C ATOM 1292 O ASP A 81 -21.420 3.449 -4.829 1.00 0.00 O ATOM 1293 CB ASP A 81 -24.110 2.547 -3.146 1.00 0.00 C ATOM 1294 CG ASP A 81 -25.124 2.314 -4.227 1.00 0.00 C ATOM 1295 OD1 ASP A 81 -25.374 1.194 -4.541 1.00 0.00 O ATOM 1296 OD2 ASP A 81 -25.628 3.274 -4.740 1.00 0.00 O ATOM 0 H ASP A 81 -22.017 3.009 -1.884 1.00 0.00 H new ATOM 0 HA ASP A 81 -22.887 0.880 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -24.451 2.096 -2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -24.003 3.616 -2.962 1.00 0.00 H new ATOM 1301 N VAL A 82 -22.988 2.334 -5.889 1.00 0.00 N ATOM 1302 CA VAL A 82 -22.674 3.011 -7.160 1.00 0.00 C ATOM 1303 C VAL A 82 -22.854 4.506 -6.937 1.00 0.00 C ATOM 1304 O VAL A 82 -22.178 5.321 -7.531 1.00 0.00 O ATOM 1305 CB VAL A 82 -23.631 2.485 -8.241 1.00 0.00 C ATOM 1306 CG1 VAL A 82 -23.790 0.984 -8.049 1.00 0.00 C ATOM 1307 CG2 VAL A 82 -25.021 3.140 -8.125 1.00 0.00 C ATOM 0 H VAL A 82 -23.742 1.649 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 82 -21.652 2.818 -7.487 1.00 0.00 H new ATOM 0 HB VAL A 82 -23.216 2.722 -9.220 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -24.467 0.590 -8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -22.818 0.500 -8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -24.200 0.785 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -25.675 2.747 -8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -25.447 2.918 -7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -24.925 4.219 -8.242 1.00 0.00 H new ATOM 1317 N ASN A 83 -23.714 4.857 -6.018 1.00 0.00 N ATOM 1318 CA ASN A 83 -23.931 6.286 -5.684 1.00 0.00 C ATOM 1319 C ASN A 83 -22.809 6.757 -4.769 1.00 0.00 C ATOM 1320 O ASN A 83 -22.773 7.898 -4.330 1.00 0.00 O ATOM 1321 CB ASN A 83 -25.256 6.429 -4.972 1.00 0.00 C ATOM 1322 CG ASN A 83 -25.798 7.836 -5.164 1.00 0.00 C ATOM 1323 OD1 ASN A 83 -25.367 8.758 -4.503 1.00 0.00 O ATOM 1324 ND2 ASN A 83 -26.717 8.055 -6.044 1.00 0.00 N ATOM 0 H ASN A 83 -24.281 4.202 -5.480 1.00 0.00 H new ATOM 0 HA ASN A 83 -23.938 6.887 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -25.967 5.700 -5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.132 6.220 -3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -27.077 8.999 -6.181 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -27.083 7.284 -6.602 1.00 0.00 H new ATOM 1331 N GLY A 84 -21.880 5.898 -4.482 1.00 0.00 N ATOM 1332 CA GLY A 84 -20.727 6.285 -3.628 1.00 0.00 C ATOM 1333 C GLY A 84 -21.132 6.325 -2.172 1.00 0.00 C ATOM 1334 O GLY A 84 -20.370 6.776 -1.340 1.00 0.00 O ATOM 0 H GLY A 84 -21.868 4.931 -4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.912 5.574 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.353 7.262 -3.934 1.00 0.00 H new ATOM 1338 N LYS A 85 -22.289 5.815 -1.833 1.00 0.00 N ATOM 1339 CA LYS A 85 -22.704 5.805 -0.422 1.00 0.00 C ATOM 1340 C LYS A 85 -21.969 4.691 0.265 1.00 0.00 C ATOM 1341 O LYS A 85 -21.758 3.659 -0.325 1.00 0.00 O ATOM 1342 CB LYS A 85 -24.200 5.572 -0.358 1.00 0.00 C ATOM 1343 CG LYS A 85 -24.933 6.922 -0.277 1.00 0.00 C ATOM 1344 CD LYS A 85 -24.512 7.874 -1.430 1.00 0.00 C ATOM 1345 CE LYS A 85 -24.801 9.332 -1.033 1.00 0.00 C ATOM 1346 NZ LYS A 85 -26.226 9.473 -0.659 1.00 0.00 N ATOM 0 H LYS A 85 -22.958 5.406 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 85 -22.475 6.752 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -24.530 5.021 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -24.446 4.961 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -26.009 6.755 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -24.720 7.395 0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -23.451 7.750 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -25.056 7.621 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -24.165 9.625 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -24.565 9.999 -1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -26.495 10.477 -0.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -26.815 8.938 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -26.371 9.103 0.302 1.00 0.00 H new ATOM 1360 N THR A 86 -21.526 4.905 1.454 1.00 0.00 N ATOM 1361 CA THR A 86 -20.736 3.876 2.179 1.00 0.00 C ATOM 1362 C THR A 86 -21.670 2.843 2.813 1.00 0.00 C ATOM 1363 O THR A 86 -22.461 3.168 3.690 1.00 0.00 O ATOM 1364 CB THR A 86 -19.928 4.564 3.288 1.00 0.00 C ATOM 1365 OG1 THR A 86 -19.143 5.629 2.730 1.00 0.00 O ATOM 1366 CG2 THR A 86 -19.025 3.545 3.964 1.00 0.00 C ATOM 0 H THR A 86 -21.677 5.769 1.975 1.00 0.00 H new ATOM 0 HA THR A 86 -20.071 3.373 1.477 1.00 0.00 H new ATOM 0 HB THR A 86 -20.610 4.982 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 86 -18.236 5.596 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 86 -18.451 4.033 4.752 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.633 2.751 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.342 3.119 3.229 1.00 0.00 H new ATOM 1374 N LEU A 87 -21.555 1.600 2.431 1.00 0.00 N ATOM 1375 CA LEU A 87 -22.379 0.554 3.074 1.00 0.00 C ATOM 1376 C LEU A 87 -21.542 -0.047 4.201 1.00 0.00 C ATOM 1377 O LEU A 87 -22.059 -0.425 5.239 1.00 0.00 O ATOM 1378 CB LEU A 87 -22.764 -0.547 2.061 1.00 0.00 C ATOM 1379 CG LEU A 87 -22.875 0.001 0.614 1.00 0.00 C ATOM 1380 CD1 LEU A 87 -23.622 1.350 0.510 1.00 0.00 C ATOM 1381 CD2 LEU A 87 -21.514 0.094 -0.013 1.00 0.00 C ATOM 0 H LEU A 87 -20.924 1.270 1.701 1.00 0.00 H new ATOM 0 HA LEU A 87 -23.305 0.985 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -22.019 -1.342 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -23.716 -0.991 2.354 1.00 0.00 H new ATOM 0 HG LEU A 87 -23.484 -0.715 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -23.658 1.667 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -24.637 1.234 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -23.098 2.102 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -21.607 0.480 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -20.888 0.765 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -21.058 -0.896 -0.041 1.00 0.00 H new ATOM 1393 N GLU A 88 -20.246 -0.078 4.033 1.00 0.00 N ATOM 1394 CA GLU A 88 -19.341 -0.567 5.114 1.00 0.00 C ATOM 1395 C GLU A 88 -18.142 0.360 5.171 1.00 0.00 C ATOM 1396 O GLU A 88 -17.810 1.010 4.191 1.00 0.00 O ATOM 1397 CB GLU A 88 -18.899 -2.007 4.861 1.00 0.00 C ATOM 1398 CG GLU A 88 -18.217 -2.626 6.117 1.00 0.00 C ATOM 1399 CD GLU A 88 -18.919 -2.191 7.382 1.00 0.00 C ATOM 1400 OE1 GLU A 88 -18.502 -1.233 7.968 1.00 0.00 O ATOM 1401 OE2 GLU A 88 -19.869 -2.822 7.747 1.00 0.00 O ATOM 0 H GLU A 88 -19.770 0.219 3.181 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.870 -0.563 6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.763 -2.610 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -18.206 -2.033 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -18.231 -3.713 6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -17.171 -2.322 6.154 1.00 0.00 H new ATOM 1408 N GLY A 89 -17.530 0.468 6.299 1.00 0.00 N ATOM 1409 CA GLY A 89 -16.428 1.438 6.474 1.00 0.00 C ATOM 1410 C GLY A 89 -17.062 2.756 6.931 1.00 0.00 C ATOM 1411 O GLY A 89 -18.247 2.802 7.228 1.00 0.00 O ATOM 0 H GLY A 89 -17.749 -0.085 7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.711 1.078 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -15.883 1.575 5.540 1.00 0.00 H new ATOM 1415 N PRO A 90 -16.307 3.822 6.992 1.00 0.00 N ATOM 1416 CA PRO A 90 -14.864 3.822 6.641 1.00 0.00 C ATOM 1417 C PRO A 90 -14.055 3.023 7.654 1.00 0.00 C ATOM 1418 O PRO A 90 -13.908 3.420 8.807 1.00 0.00 O ATOM 1419 CB PRO A 90 -14.458 5.309 6.669 1.00 0.00 C ATOM 1420 CG PRO A 90 -15.742 6.078 6.753 1.00 0.00 C ATOM 1421 CD PRO A 90 -16.764 5.152 7.404 1.00 0.00 C ATOM 0 HA PRO A 90 -14.677 3.359 5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.816 5.524 7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.898 5.579 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -15.612 6.986 7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.075 6.386 5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -16.773 5.258 8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -17.776 5.358 7.055 1.00 0.00 H new ATOM 1429 N VAL A 91 -13.539 1.926 7.243 1.00 0.00 N ATOM 1430 CA VAL A 91 -12.704 1.095 8.117 1.00 0.00 C ATOM 1431 C VAL A 91 -11.285 1.629 7.986 1.00 0.00 C ATOM 1432 O VAL A 91 -10.991 2.314 7.044 1.00 0.00 O ATOM 1433 CB VAL A 91 -12.751 -0.359 7.615 1.00 0.00 C ATOM 1434 CG1 VAL A 91 -14.087 -1.029 7.996 1.00 0.00 C ATOM 1435 CG2 VAL A 91 -12.598 -0.389 6.101 1.00 0.00 C ATOM 0 H VAL A 91 -13.665 1.554 6.301 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.045 1.123 9.152 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.933 -0.905 8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.096 -2.056 7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.198 -1.029 9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.912 -0.476 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.632 -1.421 5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.409 0.176 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.643 0.057 5.823 1.00 0.00 H new ATOM 1445 N PRO A 92 -10.409 1.300 8.873 1.00 0.00 N ATOM 1446 CA PRO A 92 -9.005 1.726 8.775 1.00 0.00 C ATOM 1447 C PRO A 92 -8.162 0.662 8.083 1.00 0.00 C ATOM 1448 O PRO A 92 -8.524 -0.509 8.046 1.00 0.00 O ATOM 1449 CB PRO A 92 -8.574 1.868 10.230 1.00 0.00 C ATOM 1450 CG PRO A 92 -9.539 1.008 11.035 1.00 0.00 C ATOM 1451 CD PRO A 92 -10.633 0.499 10.070 1.00 0.00 C ATOM 0 HA PRO A 92 -8.884 2.641 8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.545 1.535 10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.617 2.909 10.551 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.013 0.170 11.493 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.983 1.587 11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.529 -0.567 9.868 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -11.633 0.651 10.477 1.00 0.00 H new ATOM 1459 N LEU A 93 -7.049 1.035 7.580 1.00 0.00 N ATOM 1460 CA LEU A 93 -6.136 0.068 6.929 1.00 0.00 C ATOM 1461 C LEU A 93 -4.712 0.503 7.226 1.00 0.00 C ATOM 1462 O LEU A 93 -4.325 1.623 6.944 1.00 0.00 O ATOM 1463 CB LEU A 93 -6.396 0.040 5.407 1.00 0.00 C ATOM 1464 CG LEU A 93 -5.196 -0.589 4.658 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -5.030 -2.059 5.049 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.432 -0.503 3.152 1.00 0.00 C ATOM 0 H LEU A 93 -6.712 1.998 7.587 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.303 -0.939 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.301 -0.531 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.567 1.053 5.044 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.293 -0.042 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.182 -2.485 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.855 -2.132 6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.935 -2.609 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.587 -0.946 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.343 -1.043 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.535 0.542 2.859 1.00 0.00 H new ATOM 1478 N GLU A 94 -3.937 -0.368 7.786 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.533 -0.030 8.128 1.00 0.00 C ATOM 1480 C GLU A 94 -1.612 -0.567 7.046 1.00 0.00 C ATOM 1481 O GLU A 94 -1.447 -1.770 6.907 1.00 0.00 O ATOM 1482 CB GLU A 94 -2.157 -0.688 9.462 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.080 -0.185 10.584 1.00 0.00 C ATOM 1484 CD GLU A 94 -2.998 -1.113 11.777 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -4.020 -1.413 12.320 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -1.913 -1.508 12.132 1.00 0.00 O ATOM 0 H GLU A 94 -4.219 -1.318 8.027 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.432 1.052 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.236 -1.772 9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.119 -0.462 9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.792 0.824 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.108 -0.132 10.224 1.00 0.00 H new ATOM 1493 N VAL A 95 -0.985 0.287 6.316 1.00 0.00 N ATOM 1494 CA VAL A 95 -0.031 -0.170 5.303 1.00 0.00 C ATOM 1495 C VAL A 95 1.368 0.108 5.854 1.00 0.00 C ATOM 1496 O VAL A 95 1.896 1.199 5.712 1.00 0.00 O ATOM 1497 CB VAL A 95 -0.286 0.613 4.017 1.00 0.00 C ATOM 1498 CG1 VAL A 95 0.764 0.274 2.987 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -1.667 0.251 3.466 1.00 0.00 C ATOM 0 H VAL A 95 -1.096 1.299 6.381 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.133 -1.232 5.082 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.242 1.680 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.573 0.838 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.750 0.533 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.728 -0.793 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.850 0.809 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.706 -0.818 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.430 0.503 4.202 1.00 0.00 H new ATOM 1509 N ILE A 96 1.937 -0.834 6.528 1.00 0.00 N ATOM 1510 CA ILE A 96 3.272 -0.627 7.142 1.00 0.00 C ATOM 1511 C ILE A 96 4.346 -0.818 6.080 1.00 0.00 C ATOM 1512 O ILE A 96 4.287 -1.736 5.283 1.00 0.00 O ATOM 1513 CB ILE A 96 3.472 -1.638 8.296 1.00 0.00 C ATOM 1514 CG1 ILE A 96 2.304 -1.533 9.294 1.00 0.00 C ATOM 1515 CG2 ILE A 96 4.773 -1.334 9.040 1.00 0.00 C ATOM 1516 CD1 ILE A 96 1.447 -2.793 9.238 1.00 0.00 C ATOM 0 H ILE A 96 1.531 -1.756 6.685 1.00 0.00 H new ATOM 0 HA ILE A 96 3.343 0.384 7.544 1.00 0.00 H new ATOM 0 HB ILE A 96 3.512 -2.641 7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.690 -1.392 10.303 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.695 -0.660 9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.905 -2.051 9.850 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.613 -1.408 8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.730 -0.326 9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.625 -2.706 9.948 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.046 -2.916 8.232 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.057 -3.659 9.494 1.00 0.00 H new ATOM 1528 N VAL A 97 5.328 0.022 6.082 1.00 0.00 N ATOM 1529 CA VAL A 97 6.434 -0.102 5.111 1.00 0.00 C ATOM 1530 C VAL A 97 7.586 -0.845 5.814 1.00 0.00 C ATOM 1531 O VAL A 97 8.217 -0.304 6.714 1.00 0.00 O ATOM 1532 CB VAL A 97 6.881 1.320 4.696 1.00 0.00 C ATOM 1533 CG1 VAL A 97 7.733 1.260 3.428 1.00 0.00 C ATOM 1534 CG2 VAL A 97 5.650 2.199 4.420 1.00 0.00 C ATOM 0 H VAL A 97 5.413 0.806 6.729 1.00 0.00 H new ATOM 0 HA VAL A 97 6.131 -0.651 4.220 1.00 0.00 H new ATOM 0 HB VAL A 97 7.467 1.745 5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.040 2.268 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.617 0.649 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.150 0.820 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.974 3.198 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.062 1.759 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.040 2.264 5.321 1.00 0.00 H new ATOM 1544 N ILE A 98 7.820 -2.080 5.478 1.00 0.00 N ATOM 1545 CA ILE A 98 8.897 -2.878 6.169 1.00 0.00 C ATOM 1546 C ILE A 98 10.190 -2.857 5.341 1.00 0.00 C ATOM 1547 O ILE A 98 10.211 -2.388 4.218 1.00 0.00 O ATOM 1548 CB ILE A 98 8.421 -4.329 6.363 1.00 0.00 C ATOM 1549 CG1 ILE A 98 8.232 -5.007 4.997 1.00 0.00 C ATOM 1550 CG2 ILE A 98 7.084 -4.325 7.107 1.00 0.00 C ATOM 1551 CD1 ILE A 98 7.723 -6.431 5.191 1.00 0.00 C ATOM 0 H ILE A 98 7.314 -2.585 4.750 1.00 0.00 H new ATOM 0 HA ILE A 98 9.100 -2.431 7.142 1.00 0.00 H new ATOM 0 HB ILE A 98 9.168 -4.877 6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.525 -4.438 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.177 -5.020 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.742 -5.351 7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.210 -3.849 8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.346 -3.773 6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 98 7.591 -6.906 4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.445 -6.999 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.768 -6.408 5.716 1.00 0.00 H new ATOM 1563 N ASP A 99 11.265 -3.349 5.891 1.00 0.00 N ATOM 1564 CA ASP A 99 12.548 -3.395 5.156 1.00 0.00 C ATOM 1565 C ASP A 99 12.679 -4.786 4.589 1.00 0.00 C ATOM 1566 O ASP A 99 12.449 -5.750 5.291 1.00 0.00 O ATOM 1567 CB ASP A 99 13.718 -3.229 6.126 1.00 0.00 C ATOM 1568 CG ASP A 99 13.331 -2.401 7.319 1.00 0.00 C ATOM 1569 OD1 ASP A 99 13.712 -1.265 7.372 1.00 0.00 O ATOM 1570 OD2 ASP A 99 12.654 -2.924 8.186 1.00 0.00 O ATOM 0 H ASP A 99 11.303 -3.727 6.838 1.00 0.00 H new ATOM 0 HA ASP A 99 12.563 -2.611 4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 99 14.059 -4.210 6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 99 14.555 -2.758 5.611 1.00 0.00 H new