USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 723 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 53 SER OG : rot 180:sc= -0.275 USER MOD Set 1.2: A 65 THR OG1 : rot -170:sc= -0.682 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.189 X(o=-0.23,f=-0.05) USER MOD Set 2.2: A 32 TYR OH : rot 15:sc= -0.0413 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0147 USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.01! USER MOD Single : A 10 SER OG : rot -59:sc= -6.45! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -17! C(o=-17!,f=-17!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.84! C(o=-3.8!,f=-13!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.232 K(o=-0.23,f=-1) USER MOD Single : A 62 SER OG : rot 31:sc= 0.459 USER MOD Single : A 64 SER OG : rot 180:sc= -0.238 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 70:sc= -2.83! USER MOD Single : A 72 SER OG : rot 66:sc= 1.27 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.3!) USER MOD Single : A 98 SER OG : rot -115:sc= -3.89! USER MOD Single : A 103 ASN : amide:sc= -9.66! C(o=-9.7!,f=-8.2!) USER MOD Single : A 111 SER OG : rot 150:sc= -2.29! USER MOD Single : A 113 ASN : amide:sc= -0.616 K(o=-0.62,f=-0.0042) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.106 12.800 -4.911 1.00 0.00 N ATOM 12 CA ALA A 2 3.597 11.840 -3.942 1.00 0.00 C ATOM 13 C ALA A 2 4.998 12.231 -3.494 1.00 0.00 C ATOM 14 O ALA A 2 5.859 12.518 -4.322 1.00 0.00 O ATOM 15 CB ALA A 2 3.596 10.446 -4.563 1.00 0.00 C ATOM 0 HA ALA A 2 2.946 11.834 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.965 9.723 -3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.581 10.179 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.242 10.438 -5.441 1.00 0.00 H new ATOM 21 N PRO A 3 5.224 12.242 -2.178 1.00 0.00 N ATOM 22 CA PRO A 3 6.492 12.586 -1.572 1.00 0.00 C ATOM 23 C PRO A 3 7.492 11.462 -1.806 1.00 0.00 C ATOM 24 O PRO A 3 7.197 10.505 -2.519 1.00 0.00 O ATOM 25 CB PRO A 3 6.185 12.743 -0.084 1.00 0.00 C ATOM 26 CG PRO A 3 5.021 11.775 0.125 1.00 0.00 C ATOM 27 CD PRO A 3 4.235 11.910 -1.176 1.00 0.00 C ATOM 0 HA PRO A 3 6.929 13.493 -1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.043 12.483 0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.909 13.767 0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.367 10.754 0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.419 12.047 0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.719 10.982 -1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.475 12.687 -1.099 1.00 0.00 H new ATOM 35 N THR A 4 8.678 11.579 -1.205 1.00 0.00 N ATOM 36 CA THR A 4 9.710 10.573 -1.354 1.00 0.00 C ATOM 37 C THR A 4 9.754 9.688 -0.117 1.00 0.00 C ATOM 38 O THR A 4 10.192 10.122 0.946 1.00 0.00 O ATOM 39 CB THR A 4 11.056 11.256 -1.578 1.00 0.00 C ATOM 40 OG1 THR A 4 11.206 11.562 -2.946 1.00 0.00 O ATOM 41 CG2 THR A 4 12.180 10.322 -1.139 1.00 0.00 C ATOM 0 H THR A 4 8.940 12.366 -0.611 1.00 0.00 H new ATOM 0 HA THR A 4 9.487 9.945 -2.216 1.00 0.00 H new ATOM 0 HB THR A 4 11.099 12.175 -0.994 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.070 12.002 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.142 10.810 -1.299 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.064 10.086 -0.081 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.138 9.403 -1.723 1.00 0.00 H new ATOM 49 N ALA A 5 9.298 8.441 -0.258 1.00 0.00 N ATOM 50 CA ALA A 5 9.286 7.502 0.845 1.00 0.00 C ATOM 51 C ALA A 5 10.104 6.271 0.482 1.00 0.00 C ATOM 52 O ALA A 5 10.135 5.863 -0.677 1.00 0.00 O ATOM 53 CB ALA A 5 7.845 7.117 1.169 1.00 0.00 C ATOM 0 H ALA A 5 8.932 8.065 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 5 9.732 7.964 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.835 6.410 1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.283 8.009 1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.386 6.656 0.294 1.00 0.00 H new ATOM 59 N THR A 6 10.769 5.678 1.477 1.00 0.00 N ATOM 60 CA THR A 6 11.580 4.498 1.253 1.00 0.00 C ATOM 61 C THR A 6 10.963 3.302 1.963 1.00 0.00 C ATOM 62 O THR A 6 10.838 3.298 3.186 1.00 0.00 O ATOM 63 CB THR A 6 12.997 4.754 1.758 1.00 0.00 C ATOM 64 OG1 THR A 6 12.946 5.571 2.907 1.00 0.00 O ATOM 65 CG2 THR A 6 13.806 5.457 0.671 1.00 0.00 C ATOM 0 H THR A 6 10.756 6.003 2.444 1.00 0.00 H new ATOM 0 HA THR A 6 11.621 4.278 0.186 1.00 0.00 H new ATOM 0 HB THR A 6 13.471 3.804 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.856 5.734 3.233 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.818 5.640 1.032 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.846 4.827 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.333 6.407 0.422 1.00 0.00 H new ATOM 73 N VAL A 7 10.578 2.283 1.191 1.00 0.00 N ATOM 74 CA VAL A 7 9.977 1.087 1.746 1.00 0.00 C ATOM 75 C VAL A 7 10.900 -0.103 1.526 1.00 0.00 C ATOM 76 O VAL A 7 11.712 -0.098 0.603 1.00 0.00 O ATOM 77 CB VAL A 7 8.620 0.848 1.089 1.00 0.00 C ATOM 78 CG1 VAL A 7 7.980 2.189 0.743 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.810 0.031 -0.185 1.00 0.00 C ATOM 0 H VAL A 7 10.676 2.271 0.176 1.00 0.00 H new ATOM 0 HA VAL A 7 9.829 1.214 2.818 1.00 0.00 H new ATOM 0 HB VAL A 7 7.973 0.304 1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.011 2.019 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.845 2.773 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.626 2.734 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.842 -0.140 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.456 0.575 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.268 -0.927 0.062 1.00 0.00 H new ATOM 89 N THR A 8 10.774 -1.125 2.375 1.00 0.00 N ATOM 90 CA THR A 8 11.597 -2.312 2.265 1.00 0.00 C ATOM 91 C THR A 8 11.176 -3.123 1.048 1.00 0.00 C ATOM 92 O THR A 8 10.082 -2.936 0.522 1.00 0.00 O ATOM 93 CB THR A 8 11.466 -3.141 3.539 1.00 0.00 C ATOM 94 OG1 THR A 8 12.743 -3.574 3.952 1.00 0.00 O ATOM 95 CG2 THR A 8 10.581 -4.355 3.268 1.00 0.00 C ATOM 0 H THR A 8 10.106 -1.146 3.145 1.00 0.00 H new ATOM 0 HA THR A 8 12.641 -2.024 2.140 1.00 0.00 H new ATOM 0 HB THR A 8 11.017 -2.532 4.324 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.659 -4.105 4.771 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.487 -4.947 4.178 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.594 -4.021 2.949 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.029 -4.964 2.483 1.00 0.00 H new ATOM 103 N PRO A 9 12.050 -4.028 0.602 1.00 0.00 N ATOM 104 CA PRO A 9 11.822 -4.890 -0.538 1.00 0.00 C ATOM 105 C PRO A 9 10.797 -5.955 -0.176 1.00 0.00 C ATOM 106 O PRO A 9 10.997 -6.717 0.767 1.00 0.00 O ATOM 107 CB PRO A 9 13.183 -5.518 -0.833 1.00 0.00 C ATOM 108 CG PRO A 9 13.839 -5.565 0.547 1.00 0.00 C ATOM 109 CD PRO A 9 13.346 -4.275 1.197 1.00 0.00 C ATOM 0 HA PRO A 9 11.432 -4.354 -1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.084 -6.512 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.762 -4.919 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.532 -6.446 1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.926 -5.594 0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.270 -4.382 2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.032 -3.450 1.006 1.00 0.00 H new ATOM 117 N SER A 10 9.695 -6.005 -0.929 1.00 0.00 N ATOM 118 CA SER A 10 8.646 -6.974 -0.683 1.00 0.00 C ATOM 119 C SER A 10 8.339 -7.739 -1.963 1.00 0.00 C ATOM 120 O SER A 10 7.305 -8.395 -2.063 1.00 0.00 O ATOM 121 CB SER A 10 7.401 -6.256 -0.170 1.00 0.00 C ATOM 122 OG SER A 10 6.826 -7.003 0.878 1.00 0.00 O ATOM 0 H SER A 10 9.514 -5.380 -1.714 1.00 0.00 H new ATOM 0 HA SER A 10 8.975 -7.687 0.073 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.663 -5.258 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.681 -6.131 -0.979 1.00 0.00 H new ATOM 0 HG SER A 10 6.585 -7.895 0.550 1.00 0.00 H new ATOM 128 N SER A 11 9.243 -7.654 -2.942 1.00 0.00 N ATOM 129 CA SER A 11 9.065 -8.339 -4.206 1.00 0.00 C ATOM 130 C SER A 11 9.648 -9.742 -4.120 1.00 0.00 C ATOM 131 O SER A 11 10.861 -9.908 -4.022 1.00 0.00 O ATOM 132 CB SER A 11 9.741 -7.539 -5.316 1.00 0.00 C ATOM 133 OG SER A 11 8.758 -6.966 -6.148 1.00 0.00 O ATOM 0 H SER A 11 10.105 -7.113 -2.874 1.00 0.00 H new ATOM 0 HA SER A 11 8.002 -8.423 -4.432 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.369 -6.758 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.394 -8.187 -5.900 1.00 0.00 H new ATOM 0 HG SER A 11 9.192 -6.451 -6.860 1.00 0.00 H new ATOM 139 N GLY A 12 8.779 -10.755 -4.158 1.00 0.00 N ATOM 140 CA GLY A 12 9.216 -12.135 -4.085 1.00 0.00 C ATOM 141 C GLY A 12 9.235 -12.607 -2.638 1.00 0.00 C ATOM 142 O GLY A 12 9.939 -13.556 -2.300 1.00 0.00 O ATOM 0 H GLY A 12 7.769 -10.636 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.549 -12.766 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.211 -12.232 -4.519 1.00 0.00 H new ATOM 146 N LEU A 13 8.458 -11.939 -1.781 1.00 0.00 N ATOM 147 CA LEU A 13 8.389 -12.291 -0.377 1.00 0.00 C ATOM 148 C LEU A 13 7.037 -12.919 -0.067 1.00 0.00 C ATOM 149 O LEU A 13 6.021 -12.521 -0.633 1.00 0.00 O ATOM 150 CB LEU A 13 8.611 -11.042 0.471 1.00 0.00 C ATOM 151 CG LEU A 13 9.634 -10.139 -0.212 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.320 -9.264 0.833 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.677 -10.998 -0.922 1.00 0.00 C ATOM 0 H LEU A 13 7.869 -11.149 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 13 9.167 -13.018 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.670 -10.508 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.962 -11.321 1.464 1.00 0.00 H new ATOM 0 HG LEU A 13 9.129 -9.505 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.051 -8.619 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.575 -8.650 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.825 -9.897 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.408 -10.353 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.182 -11.633 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.187 -11.622 -1.670 1.00 0.00 H new ATOM 165 N SER A 14 7.027 -13.904 0.834 1.00 0.00 N ATOM 166 CA SER A 14 5.802 -14.579 1.213 1.00 0.00 C ATOM 167 C SER A 14 5.217 -13.926 2.458 1.00 0.00 C ATOM 168 O SER A 14 5.893 -13.152 3.132 1.00 0.00 O ATOM 169 CB SER A 14 6.093 -16.056 1.463 1.00 0.00 C ATOM 170 OG SER A 14 6.489 -16.667 0.256 1.00 0.00 O ATOM 0 H SER A 14 7.861 -14.247 1.311 1.00 0.00 H new ATOM 0 HA SER A 14 5.072 -14.497 0.407 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.878 -16.161 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.206 -16.550 1.860 1.00 0.00 H new ATOM 0 HG SER A 14 6.678 -17.615 0.416 1.00 0.00 H new ATOM 176 N ASP A 15 3.956 -14.241 2.762 1.00 0.00 N ATOM 177 CA ASP A 15 3.288 -13.685 3.922 1.00 0.00 C ATOM 178 C ASP A 15 4.205 -13.767 5.133 1.00 0.00 C ATOM 179 O ASP A 15 5.074 -14.633 5.198 1.00 0.00 O ATOM 180 CB ASP A 15 1.990 -14.448 4.174 1.00 0.00 C ATOM 181 CG ASP A 15 1.003 -13.596 4.959 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.478 -12.828 5.823 1.00 0.00 O ATOM 183 OD2 ASP A 15 -0.209 -13.730 4.680 1.00 0.00 O ATOM 0 H ASP A 15 3.382 -14.881 2.213 1.00 0.00 H new ATOM 0 HA ASP A 15 3.049 -12.637 3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.546 -14.743 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.203 -15.365 4.724 1.00 0.00 H new ATOM 188 N GLY A 16 4.012 -12.861 6.095 1.00 0.00 N ATOM 189 CA GLY A 16 4.824 -12.839 7.294 1.00 0.00 C ATOM 190 C GLY A 16 5.902 -11.770 7.182 1.00 0.00 C ATOM 191 O GLY A 16 6.399 -11.277 8.193 1.00 0.00 O ATOM 0 H GLY A 16 3.296 -12.135 6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.196 -12.642 8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.285 -13.815 7.448 1.00 0.00 H new ATOM 195 N THR A 17 6.265 -11.413 5.948 1.00 0.00 N ATOM 196 CA THR A 17 7.280 -10.406 5.715 1.00 0.00 C ATOM 197 C THR A 17 6.759 -9.038 6.131 1.00 0.00 C ATOM 198 O THR A 17 5.644 -8.660 5.776 1.00 0.00 O ATOM 199 CB THR A 17 7.669 -10.410 4.239 1.00 0.00 C ATOM 200 OG1 THR A 17 7.978 -11.726 3.839 1.00 0.00 O ATOM 201 CG2 THR A 17 8.889 -9.516 4.032 1.00 0.00 C ATOM 0 H THR A 17 5.865 -11.812 5.099 1.00 0.00 H new ATOM 0 HA THR A 17 8.163 -10.632 6.312 1.00 0.00 H new ATOM 0 HB THR A 17 6.838 -10.034 3.643 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.150 -12.210 3.639 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.167 -9.518 2.978 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.651 -8.498 4.342 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.721 -9.892 4.628 1.00 0.00 H new ATOM 209 N VAL A 18 7.570 -8.294 6.887 1.00 0.00 N ATOM 210 CA VAL A 18 7.190 -6.974 7.347 1.00 0.00 C ATOM 211 C VAL A 18 7.959 -5.916 6.569 1.00 0.00 C ATOM 212 O VAL A 18 9.171 -5.787 6.724 1.00 0.00 O ATOM 213 CB VAL A 18 7.471 -6.857 8.842 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.978 -6.820 9.075 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.842 -5.574 9.379 1.00 0.00 C ATOM 0 H VAL A 18 8.497 -8.593 7.190 1.00 0.00 H new ATOM 0 HA VAL A 18 6.125 -6.818 7.178 1.00 0.00 H new ATOM 0 HB VAL A 18 7.044 -7.716 9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.179 -6.736 10.143 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.428 -7.736 8.692 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.405 -5.961 8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.042 -5.490 10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.269 -4.715 8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.765 -5.600 9.213 1.00 0.00 H new ATOM 225 N VAL A 19 7.250 -5.157 5.730 1.00 0.00 N ATOM 226 CA VAL A 19 7.867 -4.115 4.933 1.00 0.00 C ATOM 227 C VAL A 19 7.843 -2.800 5.698 1.00 0.00 C ATOM 228 O VAL A 19 7.135 -2.672 6.694 1.00 0.00 O ATOM 229 CB VAL A 19 7.125 -3.984 3.606 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.987 -5.360 2.962 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.739 -3.397 3.856 1.00 0.00 C ATOM 0 H VAL A 19 6.244 -5.252 5.591 1.00 0.00 H new ATOM 0 HA VAL A 19 8.906 -4.374 4.728 1.00 0.00 H new ATOM 0 HB VAL A 19 7.684 -3.327 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.457 -5.267 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.977 -5.779 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.428 -6.018 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.208 -3.303 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.180 -4.055 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.838 -2.414 4.316 1.00 0.00 H new ATOM 241 N LYS A 20 8.619 -1.820 5.229 1.00 0.00 N ATOM 242 CA LYS A 20 8.681 -0.522 5.871 1.00 0.00 C ATOM 243 C LYS A 20 8.313 0.567 4.873 1.00 0.00 C ATOM 244 O LYS A 20 8.564 0.429 3.679 1.00 0.00 O ATOM 245 CB LYS A 20 10.085 -0.296 6.424 1.00 0.00 C ATOM 246 CG LYS A 20 9.989 0.233 7.852 1.00 0.00 C ATOM 247 CD LYS A 20 10.255 1.736 7.858 1.00 0.00 C ATOM 248 CE LYS A 20 11.760 1.987 7.891 1.00 0.00 C ATOM 249 NZ LYS A 20 12.272 1.943 9.269 1.00 0.00 N ATOM 0 H LYS A 20 9.212 -1.910 4.404 1.00 0.00 H new ATOM 0 HA LYS A 20 7.969 -0.486 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.649 -1.229 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.625 0.414 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.000 0.026 8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.711 -0.277 8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.818 2.197 6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.780 2.197 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.270 1.238 7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.980 2.959 7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.297 2.117 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.800 2.674 9.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.081 1.007 9.680 1.00 0.00 H new ATOM 263 N VAL A 21 7.715 1.654 5.368 1.00 0.00 N ATOM 264 CA VAL A 21 7.316 2.759 4.521 1.00 0.00 C ATOM 265 C VAL A 21 7.687 4.077 5.186 1.00 0.00 C ATOM 266 O VAL A 21 7.029 4.505 6.131 1.00 0.00 O ATOM 267 CB VAL A 21 5.813 2.687 4.267 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.530 2.997 2.800 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.309 1.285 4.597 1.00 0.00 C ATOM 0 H VAL A 21 7.500 1.784 6.357 1.00 0.00 H new ATOM 0 HA VAL A 21 7.836 2.697 3.565 1.00 0.00 H new ATOM 0 HB VAL A 21 5.302 3.415 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.457 2.946 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.891 3.998 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.040 2.269 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.235 1.232 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.819 0.557 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.512 1.063 5.645 1.00 0.00 H new ATOM 279 N ALA A 22 8.746 4.721 4.688 1.00 0.00 N ATOM 280 CA ALA A 22 9.199 5.984 5.235 1.00 0.00 C ATOM 281 C ALA A 22 9.028 7.085 4.198 1.00 0.00 C ATOM 282 O ALA A 22 9.636 7.037 3.132 1.00 0.00 O ATOM 283 CB ALA A 22 10.660 5.859 5.656 1.00 0.00 C ATOM 0 H ALA A 22 9.302 4.379 3.904 1.00 0.00 H new ATOM 0 HA ALA A 22 8.603 6.242 6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.002 6.808 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.755 5.080 6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.268 5.599 4.789 1.00 0.00 H new ATOM 289 N GLY A 23 8.196 8.081 4.513 1.00 0.00 N ATOM 290 CA GLY A 23 7.953 9.185 3.606 1.00 0.00 C ATOM 291 C GLY A 23 8.979 10.287 3.829 1.00 0.00 C ATOM 292 O GLY A 23 9.389 10.538 4.961 1.00 0.00 O ATOM 0 H GLY A 23 7.683 8.138 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.003 8.835 2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.948 9.578 3.761 1.00 0.00 H new ATOM 296 N ALA A 24 9.394 10.946 2.745 1.00 0.00 N ATOM 297 CA ALA A 24 10.369 12.015 2.826 1.00 0.00 C ATOM 298 C ALA A 24 9.916 13.191 1.974 1.00 0.00 C ATOM 299 O ALA A 24 9.949 13.121 0.747 1.00 0.00 O ATOM 300 CB ALA A 24 11.727 11.499 2.358 1.00 0.00 C ATOM 0 H ALA A 24 9.063 10.750 1.800 1.00 0.00 H new ATOM 0 HA ALA A 24 10.459 12.354 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.462 12.302 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.041 10.671 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.650 11.155 1.327 1.00 0.00 H new ATOM 306 N GLY A 25 9.492 14.276 2.626 1.00 0.00 N ATOM 307 CA GLY A 25 9.036 15.458 1.922 1.00 0.00 C ATOM 308 C GLY A 25 7.514 15.513 1.913 1.00 0.00 C ATOM 309 O GLY A 25 6.917 16.116 1.025 1.00 0.00 O ATOM 0 H GLY A 25 9.458 14.352 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.436 16.352 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.412 15.448 0.899 1.00 0.00 H new ATOM 313 N LEU A 26 6.888 14.880 2.908 1.00 0.00 N ATOM 314 CA LEU A 26 5.443 14.859 3.011 1.00 0.00 C ATOM 315 C LEU A 26 4.964 16.063 3.810 1.00 0.00 C ATOM 316 O LEU A 26 5.772 16.872 4.261 1.00 0.00 O ATOM 317 CB LEU A 26 4.999 13.559 3.677 1.00 0.00 C ATOM 318 CG LEU A 26 5.949 12.433 3.276 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.161 11.137 3.112 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.629 12.787 1.957 1.00 0.00 C ATOM 0 H LEU A 26 7.370 14.376 3.652 1.00 0.00 H new ATOM 0 HA LEU A 26 5.004 14.911 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.993 13.676 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.980 13.314 3.378 1.00 0.00 H new ATOM 0 HG LEU A 26 6.705 12.302 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.839 10.333 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.676 10.884 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.404 11.267 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.307 11.983 1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.874 12.918 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.192 13.713 2.075 1.00 0.00 H new ATOM 332 N GLN A 27 3.646 16.181 3.983 1.00 0.00 N ATOM 333 CA GLN A 27 3.068 17.284 4.724 1.00 0.00 C ATOM 334 C GLN A 27 3.248 17.054 6.218 1.00 0.00 C ATOM 335 O GLN A 27 2.823 16.028 6.745 1.00 0.00 O ATOM 336 CB GLN A 27 1.589 17.412 4.371 1.00 0.00 C ATOM 337 CG GLN A 27 1.445 18.123 3.028 1.00 0.00 C ATOM 338 CD GLN A 27 0.018 18.021 2.510 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.608 19.035 2.205 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.496 16.793 2.411 1.00 0.00 N ATOM 0 H GLN A 27 2.963 15.519 3.615 1.00 0.00 H new ATOM 0 HA GLN A 27 3.574 18.212 4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.129 16.425 4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.066 17.970 5.148 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.723 19.171 3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.131 17.684 2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.064 15.983 2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.449 16.665 2.070 1.00 0.00 H new ATOM 349 N ALA A 28 3.879 18.013 6.899 1.00 0.00 N ATOM 350 CA ALA A 28 4.112 17.910 8.326 1.00 0.00 C ATOM 351 C ALA A 28 2.788 17.998 9.072 1.00 0.00 C ATOM 352 O ALA A 28 1.939 18.822 8.738 1.00 0.00 O ATOM 353 CB ALA A 28 5.057 19.024 8.767 1.00 0.00 C ATOM 0 H ALA A 28 4.236 18.870 6.476 1.00 0.00 H new ATOM 0 HA ALA A 28 4.572 16.949 8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.233 18.948 9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.004 18.929 8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.609 19.992 8.540 1.00 0.00 H new ATOM 359 N GLY A 29 2.613 17.147 10.085 1.00 0.00 N ATOM 360 CA GLY A 29 1.393 17.137 10.868 1.00 0.00 C ATOM 361 C GLY A 29 0.246 16.561 10.050 1.00 0.00 C ATOM 362 O GLY A 29 -0.904 16.589 10.483 1.00 0.00 O ATOM 0 H GLY A 29 3.306 16.458 10.376 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.538 16.545 11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.149 18.150 11.186 1.00 0.00 H new ATOM 366 N THR A 30 0.560 16.039 8.862 1.00 0.00 N ATOM 367 CA THR A 30 -0.446 15.461 7.995 1.00 0.00 C ATOM 368 C THR A 30 -0.548 13.963 8.244 1.00 0.00 C ATOM 369 O THR A 30 0.454 13.308 8.526 1.00 0.00 O ATOM 370 CB THR A 30 -0.084 15.743 6.539 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.221 16.223 5.857 1.00 0.00 O ATOM 372 CG2 THR A 30 0.402 14.457 5.877 1.00 0.00 C ATOM 0 H THR A 30 1.508 16.009 8.486 1.00 0.00 H new ATOM 0 HA THR A 30 -1.416 15.910 8.210 1.00 0.00 H new ATOM 0 HB THR A 30 0.707 16.492 6.499 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.989 16.406 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.660 14.658 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.281 14.086 6.404 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.388 13.707 5.916 1.00 0.00 H new ATOM 380 N ALA A 31 -1.763 13.421 8.137 1.00 0.00 N ATOM 381 CA ALA A 31 -1.990 12.006 8.352 1.00 0.00 C ATOM 382 C ALA A 31 -1.989 11.276 7.016 1.00 0.00 C ATOM 383 O ALA A 31 -2.374 11.843 5.996 1.00 0.00 O ATOM 384 CB ALA A 31 -3.320 11.809 9.075 1.00 0.00 C ATOM 0 H ALA A 31 -2.603 13.950 7.901 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.192 11.595 8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.492 10.745 9.237 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.291 12.323 10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.128 12.219 8.469 1.00 0.00 H new ATOM 390 N TYR A 32 -1.555 10.013 7.024 1.00 0.00 N ATOM 391 CA TYR A 32 -1.505 9.216 5.815 1.00 0.00 C ATOM 392 C TYR A 32 -1.995 7.805 6.107 1.00 0.00 C ATOM 393 O TYR A 32 -1.637 7.219 7.126 1.00 0.00 O ATOM 394 CB TYR A 32 -0.076 9.193 5.282 1.00 0.00 C ATOM 395 CG TYR A 32 0.326 10.467 4.577 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.330 10.853 3.402 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.354 11.261 5.099 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.042 12.035 2.750 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.725 12.443 4.447 1.00 0.00 C ATOM 400 CZ TYR A 32 1.069 12.830 3.272 1.00 0.00 C ATOM 401 OH TYR A 32 1.431 13.981 2.636 1.00 0.00 O ATOM 0 H TYR A 32 -1.234 9.527 7.862 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.154 9.655 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.609 9.014 6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.032 8.356 4.592 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.122 10.240 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.861 10.962 6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.464 12.333 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.517 13.056 4.850 1.00 0.00 H new ATOM 0 HH TYR A 32 0.739 14.228 1.987 1.00 0.00 H new ATOM 411 N ASP A 33 -2.818 7.259 5.208 1.00 0.00 N ATOM 412 CA ASP A 33 -3.352 5.923 5.373 1.00 0.00 C ATOM 413 C ASP A 33 -2.551 4.940 4.531 1.00 0.00 C ATOM 414 O ASP A 33 -2.563 5.018 3.305 1.00 0.00 O ATOM 415 CB ASP A 33 -4.823 5.910 4.967 1.00 0.00 C ATOM 416 CG ASP A 33 -5.230 4.542 4.439 1.00 0.00 C ATOM 417 OD1 ASP A 33 -4.835 3.545 5.083 1.00 0.00 O ATOM 418 OD2 ASP A 33 -5.928 4.517 3.403 1.00 0.00 O ATOM 0 H ASP A 33 -3.125 7.732 4.358 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.275 5.623 6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.443 6.172 5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.000 6.666 4.202 1.00 0.00 H new ATOM 423 N VAL A 34 -1.854 4.014 5.193 1.00 0.00 N ATOM 424 CA VAL A 34 -1.052 3.023 4.504 1.00 0.00 C ATOM 425 C VAL A 34 -1.801 1.698 4.455 1.00 0.00 C ATOM 426 O VAL A 34 -2.491 1.338 5.406 1.00 0.00 O ATOM 427 CB VAL A 34 0.285 2.862 5.222 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.388 2.619 4.196 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.594 4.132 6.010 1.00 0.00 C ATOM 0 H VAL A 34 -1.835 3.937 6.210 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.863 3.349 3.481 1.00 0.00 H new ATOM 0 HB VAL A 34 0.231 2.014 5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.343 2.504 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.167 1.713 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.443 3.467 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.549 4.018 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.648 4.980 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.194 4.306 6.743 1.00 0.00 H new ATOM 439 N GLY A 35 -1.663 0.972 3.343 1.00 0.00 N ATOM 440 CA GLY A 35 -2.327 -0.306 3.182 1.00 0.00 C ATOM 441 C GLY A 35 -1.781 -1.034 1.962 1.00 0.00 C ATOM 442 O GLY A 35 -1.156 -0.422 1.098 1.00 0.00 O ATOM 0 H GLY A 35 -1.095 1.255 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.180 -0.915 4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.401 -0.155 3.073 1.00 0.00 H new ATOM 446 N GLN A 36 -2.017 -2.346 1.894 1.00 0.00 N ATOM 447 CA GLN A 36 -1.548 -3.150 0.783 1.00 0.00 C ATOM 448 C GLN A 36 -2.691 -3.408 -0.188 1.00 0.00 C ATOM 449 O GLN A 36 -3.686 -4.033 0.173 1.00 0.00 O ATOM 450 CB GLN A 36 -0.981 -4.465 1.313 1.00 0.00 C ATOM 451 CG GLN A 36 -0.919 -5.486 0.180 1.00 0.00 C ATOM 452 CD GLN A 36 -0.602 -6.874 0.718 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.452 -7.511 1.336 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.626 -7.342 0.481 1.00 0.00 N ATOM 0 H GLN A 36 -2.533 -2.868 2.602 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.760 -2.617 0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.015 -4.304 1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.605 -4.842 2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.871 -5.506 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.158 -5.189 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.297 -6.775 -0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.893 -8.267 0.818 1.00 0.00 H new ATOM 463 N CYS A 37 -2.546 -2.925 -1.424 1.00 0.00 N ATOM 464 CA CYS A 37 -3.564 -3.105 -2.440 1.00 0.00 C ATOM 465 C CYS A 37 -3.078 -4.099 -3.485 1.00 0.00 C ATOM 466 O CYS A 37 -1.888 -4.399 -3.552 1.00 0.00 O ATOM 467 CB CYS A 37 -3.884 -1.758 -3.082 1.00 0.00 C ATOM 468 SG CYS A 37 -5.102 -0.778 -2.169 1.00 0.00 S ATOM 0 H CYS A 37 -1.727 -2.405 -1.738 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.472 -3.501 -1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.963 -1.182 -3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.254 -1.928 -4.093 1.00 0.00 H new ATOM 473 N ALA A 38 -4.003 -4.610 -4.301 1.00 0.00 N ATOM 474 CA ALA A 38 -3.665 -5.566 -5.336 1.00 0.00 C ATOM 475 C ALA A 38 -4.633 -5.428 -6.502 1.00 0.00 C ATOM 476 O ALA A 38 -5.831 -5.243 -6.299 1.00 0.00 O ATOM 477 CB ALA A 38 -3.714 -6.978 -4.757 1.00 0.00 C ATOM 0 H ALA A 38 -4.994 -4.371 -4.257 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.657 -5.371 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.460 -7.699 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.999 -7.060 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.718 -7.184 -4.385 1.00 0.00 H new ATOM 483 N TRP A 39 -4.111 -5.517 -7.728 1.00 0.00 N ATOM 484 CA TRP A 39 -4.934 -5.401 -8.915 1.00 0.00 C ATOM 485 C TRP A 39 -5.918 -6.560 -8.978 1.00 0.00 C ATOM 486 O TRP A 39 -5.518 -7.721 -8.939 1.00 0.00 O ATOM 487 CB TRP A 39 -4.040 -5.383 -10.152 1.00 0.00 C ATOM 488 CG TRP A 39 -4.679 -5.908 -11.398 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.995 -5.832 -11.691 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.057 -6.590 -12.529 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.229 -6.417 -12.918 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.066 -6.903 -13.480 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.743 -6.978 -12.849 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.789 -7.562 -14.681 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.455 -7.640 -14.051 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.472 -7.933 -14.967 1.00 0.00 C ATOM 0 H TRP A 39 -3.120 -5.669 -7.915 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.502 -4.471 -8.878 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.714 -4.359 -10.332 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.145 -5.970 -9.945 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.748 -5.382 -11.061 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.148 -6.482 -13.356 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.942 -6.762 -12.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.583 -7.782 -15.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.438 -7.927 -14.272 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.240 -8.443 -15.890 1.00 0.00 H new ATOM 507 N VAL A 40 -7.211 -6.242 -9.076 1.00 0.00 N ATOM 508 CA VAL A 40 -8.246 -7.254 -9.143 1.00 0.00 C ATOM 509 C VAL A 40 -8.794 -7.336 -10.561 1.00 0.00 C ATOM 510 O VAL A 40 -8.822 -8.410 -11.157 1.00 0.00 O ATOM 511 CB VAL A 40 -9.355 -6.914 -8.153 1.00 0.00 C ATOM 512 CG1 VAL A 40 -10.706 -6.976 -8.860 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.336 -7.918 -7.004 1.00 0.00 C ATOM 0 H VAL A 40 -7.559 -5.284 -9.110 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.828 -8.225 -8.879 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.196 -5.909 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.499 -6.733 -8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.720 -6.259 -9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.866 -7.980 -9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.128 -7.676 -6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.494 -8.923 -7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.371 -7.874 -6.498 1.00 0.00 H new ATOM 523 N ASP A 41 -9.231 -6.195 -11.100 1.00 0.00 N ATOM 524 CA ASP A 41 -9.776 -6.144 -12.442 1.00 0.00 C ATOM 525 C ASP A 41 -9.257 -4.907 -13.162 1.00 0.00 C ATOM 526 O ASP A 41 -8.693 -4.014 -12.535 1.00 0.00 O ATOM 527 CB ASP A 41 -11.300 -6.130 -12.371 1.00 0.00 C ATOM 528 CG ASP A 41 -11.884 -7.403 -12.966 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.192 -8.440 -12.879 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.013 -7.316 -13.497 1.00 0.00 O ATOM 0 H ASP A 41 -9.214 -5.296 -10.619 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.460 -7.025 -13.001 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.619 -6.030 -11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.685 -5.263 -12.908 1.00 0.00 H new ATOM 535 N THR A 42 -9.450 -4.856 -14.482 1.00 0.00 N ATOM 536 CA THR A 42 -9.001 -3.729 -15.273 1.00 0.00 C ATOM 537 C THR A 42 -9.493 -2.430 -14.652 1.00 0.00 C ATOM 538 O THR A 42 -10.690 -2.152 -14.654 1.00 0.00 O ATOM 539 CB THR A 42 -9.517 -3.874 -16.702 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.363 -2.649 -17.384 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.994 -4.258 -16.673 1.00 0.00 C ATOM 0 H THR A 42 -9.916 -5.588 -15.018 1.00 0.00 H new ATOM 0 HA THR A 42 -7.911 -3.707 -15.293 1.00 0.00 H new ATOM 0 HB THR A 42 -8.950 -4.650 -17.216 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.693 -2.742 -18.302 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.363 -4.362 -17.693 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.114 -5.205 -16.146 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.562 -3.482 -16.159 1.00 0.00 H new ATOM 549 N GLY A 43 -8.565 -1.632 -14.118 1.00 0.00 N ATOM 550 CA GLY A 43 -8.912 -0.369 -13.498 1.00 0.00 C ATOM 551 C GLY A 43 -9.621 -0.610 -12.173 1.00 0.00 C ATOM 552 O GLY A 43 -10.131 0.326 -11.560 1.00 0.00 O ATOM 0 H GLY A 43 -7.568 -1.847 -14.107 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.012 0.223 -13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.556 0.206 -14.164 1.00 0.00 H new ATOM 556 N VAL A 44 -9.652 -1.869 -11.732 1.00 0.00 N ATOM 557 CA VAL A 44 -10.297 -2.227 -10.484 1.00 0.00 C ATOM 558 C VAL A 44 -9.306 -2.948 -9.581 1.00 0.00 C ATOM 559 O VAL A 44 -8.796 -4.008 -9.937 1.00 0.00 O ATOM 560 CB VAL A 44 -11.507 -3.111 -10.773 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.339 -3.264 -9.504 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.357 -2.467 -11.864 1.00 0.00 C ATOM 0 H VAL A 44 -9.234 -2.655 -12.229 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.636 -1.326 -9.973 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.170 -4.092 -11.107 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.203 -3.895 -9.710 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.732 -3.723 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.677 -2.283 -9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.222 -3.098 -12.071 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.695 -1.486 -11.530 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.762 -2.357 -12.771 1.00 0.00 H new ATOM 572 N LEU A 45 -9.034 -2.369 -8.408 1.00 0.00 N ATOM 573 CA LEU A 45 -8.108 -2.958 -7.462 1.00 0.00 C ATOM 574 C LEU A 45 -8.812 -3.203 -6.135 1.00 0.00 C ATOM 575 O LEU A 45 -9.878 -2.644 -5.882 1.00 0.00 O ATOM 576 CB LEU A 45 -6.912 -2.028 -7.276 1.00 0.00 C ATOM 577 CG LEU A 45 -7.293 -0.893 -6.330 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.041 -1.325 -4.888 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.450 0.338 -6.647 1.00 0.00 C ATOM 0 H LEU A 45 -9.448 -1.490 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.752 -3.915 -7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.065 -2.583 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.599 -1.624 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.349 -0.653 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.313 -0.514 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.644 -2.204 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.986 -1.566 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.722 1.149 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.394 0.099 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.631 0.647 -7.676 1.00 0.00 H new ATOM 591 N ALA A 46 -8.213 -4.040 -5.285 1.00 0.00 N ATOM 592 CA ALA A 46 -8.784 -4.355 -3.991 1.00 0.00 C ATOM 593 C ALA A 46 -7.748 -4.121 -2.900 1.00 0.00 C ATOM 594 O ALA A 46 -6.557 -4.332 -3.117 1.00 0.00 O ATOM 595 CB ALA A 46 -9.258 -5.805 -3.985 1.00 0.00 C ATOM 0 H ALA A 46 -7.329 -4.510 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.639 -3.707 -3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.688 -6.043 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.013 -5.944 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.413 -6.465 -4.180 1.00 0.00 H new ATOM 601 N CYS A 47 -8.205 -3.685 -1.724 1.00 0.00 N ATOM 602 CA CYS A 47 -7.319 -3.425 -0.608 1.00 0.00 C ATOM 603 C CYS A 47 -7.522 -4.484 0.467 1.00 0.00 C ATOM 604 O CYS A 47 -8.561 -5.138 0.508 1.00 0.00 O ATOM 605 CB CYS A 47 -7.597 -2.031 -0.052 1.00 0.00 C ATOM 606 SG CYS A 47 -6.284 -0.831 -0.388 1.00 0.00 S ATOM 0 H CYS A 47 -9.190 -3.507 -1.528 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.283 -3.468 -0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.531 -1.661 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.743 -2.103 1.026 1.00 0.00 H new ATOM 611 N ASN A 48 -6.524 -4.651 1.339 1.00 0.00 N ATOM 612 CA ASN A 48 -6.600 -5.628 2.406 1.00 0.00 C ATOM 613 C ASN A 48 -6.656 -4.921 3.753 1.00 0.00 C ATOM 614 O ASN A 48 -5.685 -4.290 4.167 1.00 0.00 O ATOM 615 CB ASN A 48 -5.390 -6.555 2.332 1.00 0.00 C ATOM 616 CG ASN A 48 -5.410 -7.566 3.470 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.468 -7.867 4.017 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.235 -8.091 3.824 1.00 0.00 N ATOM 0 H ASN A 48 -5.656 -4.116 1.319 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.506 -6.223 2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.385 -7.078 1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.473 -5.967 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.189 -8.775 4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.383 -7.809 3.339 1.00 0.00 H new ATOM 625 N PRO A 49 -7.796 -5.029 4.438 1.00 0.00 N ATOM 626 CA PRO A 49 -8.030 -4.428 5.734 1.00 0.00 C ATOM 627 C PRO A 49 -7.239 -5.179 6.795 1.00 0.00 C ATOM 628 O PRO A 49 -7.283 -4.825 7.971 1.00 0.00 O ATOM 629 CB PRO A 49 -9.533 -4.571 5.966 1.00 0.00 C ATOM 630 CG PRO A 49 -9.873 -5.849 5.200 1.00 0.00 C ATOM 631 CD PRO A 49 -8.957 -5.763 3.982 1.00 0.00 C ATOM 0 HA PRO A 49 -7.715 -3.385 5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.772 -4.659 7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.085 -3.712 5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.675 -6.742 5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.924 -5.883 4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.681 -6.755 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.448 -5.251 3.154 1.00 0.00 H new ATOM 639 N ALA A 50 -6.516 -6.220 6.377 1.00 0.00 N ATOM 640 CA ALA A 50 -5.722 -7.016 7.292 1.00 0.00 C ATOM 641 C ALA A 50 -4.313 -6.448 7.381 1.00 0.00 C ATOM 642 O ALA A 50 -3.517 -6.884 8.210 1.00 0.00 O ATOM 643 CB ALA A 50 -5.693 -8.464 6.811 1.00 0.00 C ATOM 0 H ALA A 50 -6.469 -6.526 5.405 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.167 -6.986 8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.096 -9.064 7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.709 -8.856 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.253 -8.508 5.815 1.00 0.00 H new ATOM 649 N ASP A 51 -4.006 -5.472 6.523 1.00 0.00 N ATOM 650 CA ASP A 51 -2.696 -4.852 6.509 1.00 0.00 C ATOM 651 C ASP A 51 -2.844 -3.339 6.444 1.00 0.00 C ATOM 652 O ASP A 51 -1.959 -2.648 5.943 1.00 0.00 O ATOM 653 CB ASP A 51 -1.902 -5.370 5.313 1.00 0.00 C ATOM 654 CG ASP A 51 -1.824 -6.890 5.329 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.156 -7.464 6.389 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.434 -7.450 4.282 1.00 0.00 O ATOM 0 H ASP A 51 -4.655 -5.099 5.830 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.158 -5.106 7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.371 -5.036 4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.896 -4.950 5.330 1.00 0.00 H new ATOM 661 N PHE A 52 -3.966 -2.824 6.952 1.00 0.00 N ATOM 662 CA PHE A 52 -4.220 -1.397 6.948 1.00 0.00 C ATOM 663 C PHE A 52 -3.555 -0.750 8.155 1.00 0.00 C ATOM 664 O PHE A 52 -4.028 -0.897 9.280 1.00 0.00 O ATOM 665 CB PHE A 52 -5.726 -1.150 6.962 1.00 0.00 C ATOM 666 CG PHE A 52 -6.260 -0.607 5.659 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.430 0.149 4.823 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.585 -0.861 5.285 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.925 0.651 3.613 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.080 -0.359 4.075 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.250 0.397 3.240 1.00 0.00 C ATOM 0 H PHE A 52 -4.710 -3.383 7.370 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.800 -0.951 6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.237 -2.084 7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.964 -0.450 7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.408 0.345 5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.226 -1.444 5.930 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.285 1.234 2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.102 -0.555 3.786 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.632 0.785 2.307 1.00 0.00 H new ATOM 681 N SER A 53 -2.455 -0.032 7.919 1.00 0.00 N ATOM 682 CA SER A 53 -1.734 0.632 8.986 1.00 0.00 C ATOM 683 C SER A 53 -2.014 2.128 8.945 1.00 0.00 C ATOM 684 O SER A 53 -2.706 2.608 8.050 1.00 0.00 O ATOM 685 CB SER A 53 -0.240 0.358 8.837 1.00 0.00 C ATOM 686 OG SER A 53 0.454 0.939 9.918 1.00 0.00 O ATOM 0 H SER A 53 -2.050 0.100 6.992 1.00 0.00 H new ATOM 0 HA SER A 53 -2.067 0.246 9.950 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.057 -0.716 8.809 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.124 0.768 7.895 1.00 0.00 H new ATOM 0 HG SER A 53 1.413 0.762 9.824 1.00 0.00 H new ATOM 692 N SER A 54 -1.474 2.865 9.919 1.00 0.00 N ATOM 693 CA SER A 54 -1.667 4.299 9.987 1.00 0.00 C ATOM 694 C SER A 54 -0.418 4.962 10.551 1.00 0.00 C ATOM 695 O SER A 54 0.380 4.315 11.225 1.00 0.00 O ATOM 696 CB SER A 54 -2.882 4.607 10.857 1.00 0.00 C ATOM 697 OG SER A 54 -2.492 4.647 12.212 1.00 0.00 O ATOM 0 H SER A 54 -0.899 2.482 10.670 1.00 0.00 H new ATOM 0 HA SER A 54 -1.843 4.694 8.986 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.319 5.562 10.565 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.650 3.847 10.711 1.00 0.00 H new ATOM 0 HG SER A 54 -3.272 4.846 12.771 1.00 0.00 H new ATOM 703 N VAL A 55 -0.252 6.257 10.274 1.00 0.00 N ATOM 704 CA VAL A 55 0.895 7.001 10.753 1.00 0.00 C ATOM 705 C VAL A 55 0.658 8.493 10.563 1.00 0.00 C ATOM 706 O VAL A 55 -0.160 8.892 9.738 1.00 0.00 O ATOM 707 CB VAL A 55 2.144 6.551 10.000 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.906 6.680 8.498 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.325 7.428 10.405 1.00 0.00 C ATOM 0 H VAL A 55 -0.906 6.807 9.717 1.00 0.00 H new ATOM 0 HA VAL A 55 1.040 6.809 11.816 1.00 0.00 H new ATOM 0 HB VAL A 55 2.362 5.512 10.245 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.798 6.359 7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.062 6.054 8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.688 7.719 8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.217 7.107 9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.107 8.467 10.159 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.495 7.337 11.478 1.00 0.00 H new ATOM 719 N THR A 56 1.377 9.317 11.328 1.00 0.00 N ATOM 720 CA THR A 56 1.239 10.756 11.236 1.00 0.00 C ATOM 721 C THR A 56 2.607 11.398 11.053 1.00 0.00 C ATOM 722 O THR A 56 3.525 11.141 11.830 1.00 0.00 O ATOM 723 CB THR A 56 0.559 11.283 12.496 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.625 10.553 12.730 1.00 0.00 O ATOM 725 CG2 THR A 56 0.219 12.759 12.311 1.00 0.00 C ATOM 0 H THR A 56 2.060 9.003 12.017 1.00 0.00 H new ATOM 0 HA THR A 56 0.624 11.010 10.373 1.00 0.00 H new ATOM 0 HB THR A 56 1.231 11.169 13.347 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.062 10.889 13.540 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.267 13.136 13.211 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.134 13.323 12.129 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.453 12.874 11.461 1.00 0.00 H new ATOM 733 N ALA A 57 2.742 12.235 10.023 1.00 0.00 N ATOM 734 CA ALA A 57 3.994 12.908 9.742 1.00 0.00 C ATOM 735 C ALA A 57 4.360 13.821 10.904 1.00 0.00 C ATOM 736 O ALA A 57 3.489 14.458 11.493 1.00 0.00 O ATOM 737 CB ALA A 57 3.864 13.705 8.448 1.00 0.00 C ATOM 0 H ALA A 57 1.990 12.458 9.371 1.00 0.00 H new ATOM 0 HA ALA A 57 4.788 12.171 9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.806 14.211 8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.623 13.029 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.070 14.445 8.554 1.00 0.00 H new ATOM 743 N ASP A 58 5.652 13.884 11.233 1.00 0.00 N ATOM 744 CA ASP A 58 6.124 14.716 12.321 1.00 0.00 C ATOM 745 C ASP A 58 6.358 16.134 11.820 1.00 0.00 C ATOM 746 O ASP A 58 6.002 16.462 10.691 1.00 0.00 O ATOM 747 CB ASP A 58 7.410 14.125 12.892 1.00 0.00 C ATOM 748 CG ASP A 58 8.498 14.063 11.830 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.318 14.736 10.792 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.490 13.342 12.075 1.00 0.00 O ATOM 0 H ASP A 58 6.386 13.363 10.754 1.00 0.00 H new ATOM 0 HA ASP A 58 5.374 14.749 13.111 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.751 14.730 13.733 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.215 13.124 13.277 1.00 0.00 H new ATOM 755 N ALA A 59 6.959 16.976 12.665 1.00 0.00 N ATOM 756 CA ALA A 59 7.236 18.352 12.305 1.00 0.00 C ATOM 757 C ALA A 59 8.196 18.393 11.124 1.00 0.00 C ATOM 758 O ALA A 59 8.237 19.377 10.389 1.00 0.00 O ATOM 759 CB ALA A 59 7.827 19.083 13.507 1.00 0.00 C ATOM 0 H ALA A 59 7.261 16.719 13.605 1.00 0.00 H new ATOM 0 HA ALA A 59 6.311 18.849 12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.036 20.118 13.237 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.116 19.060 14.333 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.752 18.594 13.811 1.00 0.00 H new ATOM 765 N ASN A 60 8.969 17.320 10.943 1.00 0.00 N ATOM 766 CA ASN A 60 9.922 17.241 9.854 1.00 0.00 C ATOM 767 C ASN A 60 9.222 16.778 8.585 1.00 0.00 C ATOM 768 O ASN A 60 9.855 16.628 7.542 1.00 0.00 O ATOM 769 CB ASN A 60 11.045 16.280 10.232 1.00 0.00 C ATOM 770 CG ASN A 60 12.407 16.931 10.036 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.569 18.122 10.291 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.387 16.146 9.584 1.00 0.00 N ATOM 0 H ASN A 60 8.947 16.496 11.543 1.00 0.00 H new ATOM 0 HA ASN A 60 10.349 18.226 9.669 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.931 15.972 11.271 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.978 15.378 9.623 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.320 16.530 9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.203 15.162 9.387 1.00 0.00 H new ATOM 779 N GLY A 61 7.909 16.553 8.673 1.00 0.00 N ATOM 780 CA GLY A 61 7.134 16.110 7.531 1.00 0.00 C ATOM 781 C GLY A 61 7.489 14.672 7.179 1.00 0.00 C ATOM 782 O GLY A 61 6.971 14.122 6.209 1.00 0.00 O ATOM 0 H GLY A 61 7.367 16.673 9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.070 16.185 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.328 16.759 6.677 1.00 0.00 H new ATOM 786 N SER A 62 8.375 14.064 7.970 1.00 0.00 N ATOM 787 CA SER A 62 8.792 12.696 7.739 1.00 0.00 C ATOM 788 C SER A 62 7.957 11.750 8.590 1.00 0.00 C ATOM 789 O SER A 62 7.722 12.014 9.767 1.00 0.00 O ATOM 790 CB SER A 62 10.275 12.554 8.070 1.00 0.00 C ATOM 791 OG SER A 62 10.781 11.383 7.468 1.00 0.00 O ATOM 0 H SER A 62 8.814 14.507 8.777 1.00 0.00 H new ATOM 0 HA SER A 62 8.640 12.439 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.823 13.426 7.713 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.415 12.510 9.150 1.00 0.00 H new ATOM 0 HG SER A 62 10.298 11.209 6.633 1.00 0.00 H new ATOM 797 N ALA A 63 7.510 10.643 7.992 1.00 0.00 N ATOM 798 CA ALA A 63 6.705 9.665 8.695 1.00 0.00 C ATOM 799 C ALA A 63 7.396 8.310 8.663 1.00 0.00 C ATOM 800 O ALA A 63 8.284 8.083 7.843 1.00 0.00 O ATOM 801 CB ALA A 63 5.325 9.584 8.050 1.00 0.00 C ATOM 0 H ALA A 63 7.698 10.409 7.017 1.00 0.00 H new ATOM 0 HA ALA A 63 6.587 9.966 9.736 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.719 8.848 8.579 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.841 10.559 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.428 9.287 7.006 1.00 0.00 H new ATOM 807 N SER A 64 6.988 7.408 9.558 1.00 0.00 N ATOM 808 CA SER A 64 7.568 6.082 9.626 1.00 0.00 C ATOM 809 C SER A 64 6.514 5.078 10.070 1.00 0.00 C ATOM 810 O SER A 64 5.832 5.292 11.070 1.00 0.00 O ATOM 811 CB SER A 64 8.747 6.093 10.595 1.00 0.00 C ATOM 812 OG SER A 64 9.374 7.355 10.557 1.00 0.00 O ATOM 0 H SER A 64 6.254 7.581 10.245 1.00 0.00 H new ATOM 0 HA SER A 64 7.927 5.788 8.640 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.403 5.876 11.606 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.459 5.313 10.327 1.00 0.00 H new ATOM 0 HG SER A 64 10.130 7.363 11.180 1.00 0.00 H new ATOM 818 N THR A 65 6.382 3.978 9.325 1.00 0.00 N ATOM 819 CA THR A 65 5.414 2.950 9.650 1.00 0.00 C ATOM 820 C THR A 65 5.903 1.599 9.149 1.00 0.00 C ATOM 821 O THR A 65 6.927 1.518 8.473 1.00 0.00 O ATOM 822 CB THR A 65 4.068 3.304 9.023 1.00 0.00 C ATOM 823 OG1 THR A 65 3.079 3.346 10.027 1.00 0.00 O ATOM 824 CG2 THR A 65 3.697 2.249 7.986 1.00 0.00 C ATOM 0 H THR A 65 6.939 3.784 8.493 1.00 0.00 H new ATOM 0 HA THR A 65 5.293 2.890 10.732 1.00 0.00 H new ATOM 0 HB THR A 65 4.137 4.279 8.540 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.194 3.416 9.612 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.736 2.501 7.538 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.462 2.217 7.210 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.628 1.274 8.468 1.00 0.00 H new ATOM 832 N SER A 66 5.168 0.536 9.482 1.00 0.00 N ATOM 833 CA SER A 66 5.529 -0.803 9.064 1.00 0.00 C ATOM 834 C SER A 66 4.319 -1.500 8.458 1.00 0.00 C ATOM 835 O SER A 66 3.338 -1.760 9.151 1.00 0.00 O ATOM 836 CB SER A 66 6.058 -1.584 10.263 1.00 0.00 C ATOM 837 OG SER A 66 6.323 -0.694 11.324 1.00 0.00 O ATOM 0 H SER A 66 4.317 0.586 10.043 1.00 0.00 H new ATOM 0 HA SER A 66 6.311 -0.752 8.306 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.328 -2.331 10.575 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.966 -2.121 9.989 1.00 0.00 H new ATOM 0 HG SER A 66 6.661 -1.196 12.095 1.00 0.00 H new ATOM 843 N LEU A 67 4.390 -1.802 7.159 1.00 0.00 N ATOM 844 CA LEU A 67 3.304 -2.466 6.467 1.00 0.00 C ATOM 845 C LEU A 67 3.591 -3.957 6.367 1.00 0.00 C ATOM 846 O LEU A 67 4.744 -4.376 6.434 1.00 0.00 O ATOM 847 CB LEU A 67 3.135 -1.853 5.080 1.00 0.00 C ATOM 848 CG LEU A 67 1.660 -1.873 4.692 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.311 -0.584 3.952 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.388 -3.070 3.785 1.00 0.00 C ATOM 0 H LEU A 67 5.196 -1.592 6.571 1.00 0.00 H new ATOM 0 HA LEU A 67 2.377 -2.332 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.510 -0.829 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.722 -2.411 4.350 1.00 0.00 H new ATOM 0 HG LEU A 67 1.049 -1.953 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.257 -0.598 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.505 0.271 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.922 -0.504 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.334 -3.084 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.999 -2.991 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.637 -3.991 4.313 1.00 0.00 H new ATOM 862 N THR A 68 2.537 -4.761 6.205 1.00 0.00 N ATOM 863 CA THR A 68 2.685 -6.198 6.096 1.00 0.00 C ATOM 864 C THR A 68 2.215 -6.665 4.726 1.00 0.00 C ATOM 865 O THR A 68 1.162 -6.246 4.251 1.00 0.00 O ATOM 866 CB THR A 68 1.882 -6.876 7.202 1.00 0.00 C ATOM 867 OG1 THR A 68 1.311 -8.066 6.706 1.00 0.00 O ATOM 868 CG2 THR A 68 0.774 -5.939 7.675 1.00 0.00 C ATOM 0 H THR A 68 1.573 -4.431 6.147 1.00 0.00 H new ATOM 0 HA THR A 68 3.735 -6.468 6.208 1.00 0.00 H new ATOM 0 HB THR A 68 2.541 -7.110 8.038 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.017 -8.728 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.200 -6.424 8.465 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.215 -5.019 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.114 -5.705 6.839 1.00 0.00 H new ATOM 876 N VAL A 69 3.002 -7.537 4.090 1.00 0.00 N ATOM 877 CA VAL A 69 2.665 -8.057 2.780 1.00 0.00 C ATOM 878 C VAL A 69 2.081 -9.456 2.916 1.00 0.00 C ATOM 879 O VAL A 69 2.651 -10.305 3.598 1.00 0.00 O ATOM 880 CB VAL A 69 3.915 -8.075 1.904 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.154 -8.173 2.788 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.861 -9.277 0.967 1.00 0.00 C ATOM 0 H VAL A 69 3.879 -7.893 4.471 1.00 0.00 H new ATOM 0 HA VAL A 69 1.918 -7.417 2.311 1.00 0.00 H new ATOM 0 HB VAL A 69 3.961 -7.158 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.047 -8.186 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.192 -7.314 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.110 -9.090 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.753 -9.291 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.816 -10.194 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.976 -9.206 0.335 1.00 0.00 H new ATOM 892 N ARG A 70 0.941 -9.694 2.264 1.00 0.00 N ATOM 893 CA ARG A 70 0.287 -10.986 2.316 1.00 0.00 C ATOM 894 C ARG A 70 0.274 -11.614 0.929 1.00 0.00 C ATOM 895 O ARG A 70 0.202 -10.906 -0.073 1.00 0.00 O ATOM 896 CB ARG A 70 -1.135 -10.814 2.844 1.00 0.00 C ATOM 897 CG ARG A 70 -1.131 -10.945 4.365 1.00 0.00 C ATOM 898 CD ARG A 70 0.065 -10.190 4.938 1.00 0.00 C ATOM 899 NE ARG A 70 -0.140 -9.876 6.352 1.00 0.00 N ATOM 900 CZ ARG A 70 0.040 -10.776 7.328 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.425 -12.024 7.027 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.165 -10.429 8.606 1.00 0.00 N ATOM 0 H ARG A 70 0.457 -9.000 1.694 1.00 0.00 H new ATOM 0 HA ARG A 70 0.833 -11.648 2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.527 -9.840 2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.791 -11.566 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.058 -10.546 4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.082 -11.996 4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.967 -10.790 4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.221 -9.269 4.376 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.432 -8.932 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.581 -12.289 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.562 -12.709 7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.458 -9.479 8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.028 -11.114 9.349 1.00 0.00 H new ATOM 916 N ARG A 71 0.344 -12.946 0.874 1.00 0.00 N ATOM 917 CA ARG A 71 0.341 -13.660 -0.386 1.00 0.00 C ATOM 918 C ARG A 71 -1.061 -13.656 -0.978 1.00 0.00 C ATOM 919 O ARG A 71 -1.226 -13.773 -2.191 1.00 0.00 O ATOM 920 CB ARG A 71 0.827 -15.089 -0.161 1.00 0.00 C ATOM 921 CG ARG A 71 -0.099 -15.792 0.828 1.00 0.00 C ATOM 922 CD ARG A 71 0.049 -17.303 0.677 1.00 0.00 C ATOM 923 NE ARG A 71 -1.189 -17.991 1.045 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.341 -19.318 0.938 1.00 0.00 C ATOM 925 NH1 ARG A 71 -0.334 -20.073 0.480 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.501 -19.890 1.290 1.00 0.00 N ATOM 0 H ARG A 71 0.403 -13.546 1.697 1.00 0.00 H new ATOM 0 HA ARG A 71 1.013 -13.167 -1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.846 -15.631 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.847 -15.081 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.145 -15.492 1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.133 -15.497 0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.311 -17.545 -0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.866 -17.656 1.306 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.969 -17.437 1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.549 -19.638 0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.450 -21.083 0.399 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.268 -19.315 1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.617 -20.900 1.209 1.00 0.00 H new ATOM 940 N SER A 72 -2.074 -13.519 -0.119 1.00 0.00 N ATOM 941 CA SER A 72 -3.453 -13.499 -0.561 1.00 0.00 C ATOM 942 C SER A 72 -4.328 -12.853 0.504 1.00 0.00 C ATOM 943 O SER A 72 -4.027 -12.937 1.693 1.00 0.00 O ATOM 944 CB SER A 72 -3.915 -14.924 -0.850 1.00 0.00 C ATOM 945 OG SER A 72 -5.263 -14.906 -1.264 1.00 0.00 O ATOM 0 H SER A 72 -1.955 -13.421 0.889 1.00 0.00 H new ATOM 0 HA SER A 72 -3.537 -12.912 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.291 -15.370 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.805 -15.541 0.042 1.00 0.00 H new ATOM 0 HG SER A 72 -5.335 -14.440 -2.123 1.00 0.00 H new ATOM 951 N PHE A 73 -5.416 -12.208 0.076 1.00 0.00 N ATOM 952 CA PHE A 73 -6.326 -11.555 0.995 1.00 0.00 C ATOM 953 C PHE A 73 -7.500 -10.965 0.226 1.00 0.00 C ATOM 954 O PHE A 73 -7.386 -10.682 -0.965 1.00 0.00 O ATOM 955 CB PHE A 73 -5.580 -10.467 1.762 1.00 0.00 C ATOM 956 CG PHE A 73 -4.742 -9.573 0.879 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.359 -8.604 0.078 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.350 -9.715 0.858 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.583 -7.777 -0.742 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.574 -8.888 0.037 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.190 -7.919 -0.762 1.00 0.00 C ATOM 0 H PHE A 73 -5.681 -12.129 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.713 -12.283 1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.302 -9.856 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.936 -10.935 2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.433 -8.495 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.874 -10.463 1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.058 -7.029 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.500 -8.998 0.021 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.591 -7.280 -1.394 1.00 0.00 H new ATOM 971 N GLU A 74 -8.631 -10.778 0.910 1.00 0.00 N ATOM 972 CA GLU A 74 -9.816 -10.222 0.287 1.00 0.00 C ATOM 973 C GLU A 74 -9.504 -8.849 -0.289 1.00 0.00 C ATOM 974 O GLU A 74 -9.116 -7.940 0.442 1.00 0.00 O ATOM 975 CB GLU A 74 -10.937 -10.134 1.319 1.00 0.00 C ATOM 976 CG GLU A 74 -10.448 -9.356 2.537 1.00 0.00 C ATOM 977 CD GLU A 74 -10.533 -10.208 3.795 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.659 -10.656 4.102 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.470 -10.396 4.426 1.00 0.00 O ATOM 0 H GLU A 74 -8.743 -11.007 1.898 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.139 -10.869 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.807 -9.642 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.252 -11.134 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.418 -9.035 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.047 -8.454 2.662 1.00 0.00 H new ATOM 986 N GLY A 75 -9.674 -8.698 -1.604 1.00 0.00 N ATOM 987 CA GLY A 75 -9.410 -7.436 -2.266 1.00 0.00 C ATOM 988 C GLY A 75 -10.540 -6.452 -1.997 1.00 0.00 C ATOM 989 O GLY A 75 -11.591 -6.522 -2.630 1.00 0.00 O ATOM 0 H GLY A 75 -9.994 -9.441 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.466 -7.022 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.305 -7.595 -3.339 1.00 0.00 H new ATOM 993 N PHE A 76 -10.321 -5.533 -1.054 1.00 0.00 N ATOM 994 CA PHE A 76 -11.320 -4.543 -0.707 1.00 0.00 C ATOM 995 C PHE A 76 -11.247 -3.373 -1.679 1.00 0.00 C ATOM 996 O PHE A 76 -10.390 -2.502 -1.542 1.00 0.00 O ATOM 997 CB PHE A 76 -11.091 -4.071 0.726 1.00 0.00 C ATOM 998 CG PHE A 76 -12.141 -4.557 1.695 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.123 -5.884 2.139 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -13.135 -3.681 2.149 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.098 -6.336 3.037 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -14.110 -4.132 3.046 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.091 -5.460 3.490 1.00 0.00 C ATOM 0 H PHE A 76 -9.455 -5.461 -0.520 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.314 -4.985 -0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.112 -4.414 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.070 -2.981 0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.357 -6.560 1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.149 -2.657 1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.084 -7.360 3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.877 -3.456 3.396 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.843 -5.808 4.182 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.149 -3.355 -2.663 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.182 -2.295 -3.651 1.00 0.00 C ATOM 1015 C LEU A 77 -12.285 -0.945 -2.956 1.00 0.00 C ATOM 1016 O LEU A 77 -13.046 -0.790 -2.004 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.367 -2.512 -4.589 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.843 -1.165 -5.126 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.747 -0.545 -5.988 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.099 -1.369 -5.968 1.00 0.00 C ATOM 0 H LEU A 77 -12.866 -4.070 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.263 -2.310 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.077 -3.163 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.178 -3.011 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.069 -0.500 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.086 0.417 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.850 -0.400 -5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.521 -1.209 -6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.440 -0.407 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.874 -2.034 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.882 -1.812 -5.352 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.515 0.035 -3.435 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.525 1.364 -2.859 1.00 0.00 C ATOM 1034 C PHE A 78 -12.960 1.826 -2.650 1.00 0.00 C ATOM 1035 O PHE A 78 -13.277 2.431 -1.628 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.777 2.323 -3.780 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.389 2.668 -3.294 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.433 1.658 -3.133 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.060 3.996 -3.000 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.148 1.977 -2.679 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.775 4.315 -2.547 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.818 3.306 -2.387 1.00 0.00 C ATOM 0 H PHE A 78 -10.878 -0.077 -4.223 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.025 1.348 -1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.705 1.879 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.356 3.241 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.687 0.633 -3.359 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.798 4.775 -3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.411 1.198 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.521 5.340 -2.321 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.826 3.552 -2.039 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.829 1.539 -3.622 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.223 1.926 -3.540 1.00 0.00 C ATOM 1054 C ASP A 79 -15.845 1.346 -2.278 1.00 0.00 C ATOM 1055 O ASP A 79 -16.906 1.790 -1.846 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.960 1.434 -4.782 1.00 0.00 C ATOM 1057 CG ASP A 79 -15.106 1.615 -6.029 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -14.188 2.462 -5.970 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -15.387 0.904 -7.017 1.00 0.00 O ATOM 0 H ASP A 79 -13.582 1.037 -4.475 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.302 3.012 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.218 0.382 -4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.896 1.981 -4.895 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.182 0.350 -1.685 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.677 -0.281 -0.478 1.00 0.00 C ATOM 1066 C GLY A 80 -16.453 -1.544 -0.823 1.00 0.00 C ATOM 1067 O GLY A 80 -17.341 -1.954 -0.079 1.00 0.00 O ATOM 0 H GLY A 80 -14.300 -0.031 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.844 -0.526 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.319 0.412 0.066 1.00 0.00 H new ATOM 1071 N THR A 81 -16.117 -2.162 -1.958 1.00 0.00 N ATOM 1072 CA THR A 81 -16.783 -3.373 -2.392 1.00 0.00 C ATOM 1073 C THR A 81 -15.838 -4.560 -2.266 1.00 0.00 C ATOM 1074 O THR A 81 -14.627 -4.411 -2.413 1.00 0.00 O ATOM 1075 CB THR A 81 -17.251 -3.206 -3.835 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.510 -2.571 -3.850 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.366 -4.577 -4.495 1.00 0.00 C ATOM 0 H THR A 81 -15.385 -1.836 -2.588 1.00 0.00 H new ATOM 0 HA THR A 81 -17.651 -3.559 -1.760 1.00 0.00 H new ATOM 0 HB THR A 81 -16.530 -2.598 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.810 -2.462 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.700 -4.458 -5.526 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.393 -5.069 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.087 -5.185 -3.948 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.396 -5.741 -1.992 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.604 -6.946 -1.846 1.00 0.00 C ATOM 1087 C ARG A 82 -15.330 -7.551 -3.216 1.00 0.00 C ATOM 1088 O ARG A 82 -16.156 -8.292 -3.745 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.346 -7.937 -0.956 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.752 -8.162 -1.506 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.781 -7.749 -0.457 1.00 0.00 C ATOM 1092 NE ARG A 82 -20.029 -7.317 -1.087 1.00 0.00 N ATOM 1093 CZ ARG A 82 -21.161 -7.123 -0.397 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -21.181 -7.325 0.927 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -22.273 -6.727 -1.032 1.00 0.00 N ATOM 0 H ARG A 82 -17.399 -5.880 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.649 -6.704 -1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.804 -8.882 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.400 -7.557 0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.894 -7.583 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.887 -9.211 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.979 -8.586 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.379 -6.940 0.153 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.038 -7.157 -2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.335 -7.626 1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.043 -7.177 1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.257 -6.573 -2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -23.135 -6.579 -0.507 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.167 -7.235 -3.790 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.796 -7.753 -5.092 1.00 0.00 C ATOM 1111 C TRP A 83 -13.682 -9.269 -5.033 1.00 0.00 C ATOM 1112 O TRP A 83 -14.345 -9.974 -5.791 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.474 -7.128 -5.528 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.190 -7.213 -6.993 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.455 -8.176 -7.591 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.621 -6.318 -8.063 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.401 -7.939 -8.948 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.105 -6.804 -9.295 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.395 -5.145 -8.119 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.342 -6.163 -10.514 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.639 -4.494 -9.337 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -13.115 -4.999 -10.534 1.00 0.00 C ATOM 0 H TRP A 83 -13.471 -6.622 -3.366 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.564 -7.496 -5.822 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.470 -6.079 -5.232 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.663 -7.615 -4.987 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.982 -9.004 -7.084 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -10.902 -8.530 -9.613 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.809 -4.738 -7.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.932 -6.563 -11.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -14.237 -3.595 -9.352 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.307 -4.491 -11.468 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.838 -9.772 -4.129 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.645 -11.201 -3.980 1.00 0.00 C ATOM 1135 C GLY A 84 -11.247 -11.493 -3.453 1.00 0.00 C ATOM 1136 O GLY A 84 -10.410 -10.596 -3.377 1.00 0.00 O ATOM 0 H GLY A 84 -12.280 -9.203 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.391 -11.606 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.790 -11.697 -4.940 1.00 0.00 H new ATOM 1140 N THR A 85 -10.996 -12.752 -3.087 1.00 0.00 N ATOM 1141 CA THR A 85 -9.703 -13.151 -2.570 1.00 0.00 C ATOM 1142 C THR A 85 -8.629 -12.916 -3.623 1.00 0.00 C ATOM 1143 O THR A 85 -8.554 -13.644 -4.611 1.00 0.00 O ATOM 1144 CB THR A 85 -9.750 -14.621 -2.165 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.070 -14.970 -1.814 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.829 -14.849 -0.969 1.00 0.00 C ATOM 0 H THR A 85 -11.679 -13.508 -3.143 1.00 0.00 H new ATOM 0 HA THR A 85 -9.459 -12.553 -1.692 1.00 0.00 H new ATOM 0 HB THR A 85 -9.421 -15.239 -3.001 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.101 -15.915 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.862 -15.899 -0.679 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.808 -14.579 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.158 -14.231 -0.133 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.795 -11.896 -3.409 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.731 -11.570 -4.337 1.00 0.00 C ATOM 1156 C VAL A 86 -5.519 -12.447 -4.058 1.00 0.00 C ATOM 1157 O VAL A 86 -5.315 -12.887 -2.929 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.373 -10.092 -4.200 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -4.931 -9.875 -4.649 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.308 -9.260 -5.073 1.00 0.00 C ATOM 0 H VAL A 86 -7.844 -11.284 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.063 -11.756 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.480 -9.787 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.674 -8.820 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.263 -10.470 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.824 -10.180 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.053 -8.205 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.201 -9.565 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.338 -9.415 -4.753 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.713 -12.700 -5.092 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.528 -13.522 -4.954 1.00 0.00 C ATOM 1172 C ASP A 87 -2.287 -12.691 -5.249 1.00 0.00 C ATOM 1173 O ASP A 87 -1.885 -12.562 -6.403 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.621 -14.712 -5.905 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.233 -15.918 -5.207 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -5.303 -15.733 -4.587 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.621 -17.003 -5.308 1.00 0.00 O ATOM 0 H ASP A 87 -4.868 -12.342 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.457 -13.895 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.225 -14.444 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.627 -14.966 -6.274 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.681 -12.127 -4.202 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.492 -11.312 -4.353 1.00 0.00 C ATOM 1184 C CYS A 88 0.580 -12.100 -5.092 1.00 0.00 C ATOM 1185 O CYS A 88 1.487 -11.516 -5.681 1.00 0.00 O ATOM 1186 CB CYS A 88 0.006 -10.879 -2.977 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.477 -9.196 -2.517 1.00 0.00 S ATOM 0 H CYS A 88 -2.003 -12.226 -3.239 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.727 -10.421 -4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.376 -11.573 -2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.093 -10.953 -2.955 1.00 0.00 H new ATOM 1192 N THR A 89 0.476 -13.431 -5.059 1.00 0.00 N ATOM 1193 CA THR A 89 1.438 -14.286 -5.726 1.00 0.00 C ATOM 1194 C THR A 89 1.039 -14.477 -7.183 1.00 0.00 C ATOM 1195 O THR A 89 1.702 -15.203 -7.920 1.00 0.00 O ATOM 1196 CB THR A 89 1.509 -15.629 -5.005 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.206 -16.140 -4.835 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.162 -15.439 -3.639 1.00 0.00 C ATOM 0 H THR A 89 -0.269 -13.932 -4.575 1.00 0.00 H new ATOM 0 HA THR A 89 2.423 -13.820 -5.699 1.00 0.00 H new ATOM 0 HB THR A 89 2.100 -16.328 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.251 -17.003 -4.374 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.213 -16.398 -3.124 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.169 -15.043 -3.769 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.571 -14.740 -3.047 1.00 0.00 H new ATOM 1206 N THR A 90 -0.047 -13.821 -7.597 1.00 0.00 N ATOM 1207 CA THR A 90 -0.524 -13.924 -8.961 1.00 0.00 C ATOM 1208 C THR A 90 -0.319 -12.599 -9.683 1.00 0.00 C ATOM 1209 O THR A 90 -0.182 -12.569 -10.904 1.00 0.00 O ATOM 1210 CB THR A 90 -2.000 -14.313 -8.956 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.114 -15.718 -8.930 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.674 -13.771 -10.213 1.00 0.00 C ATOM 0 H THR A 90 -0.608 -13.214 -6.999 1.00 0.00 H new ATOM 0 HA THR A 90 0.040 -14.693 -9.489 1.00 0.00 H new ATOM 0 HB THR A 90 -2.484 -13.892 -8.075 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.061 -15.969 -8.925 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.728 -14.049 -10.209 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.585 -12.685 -10.234 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.191 -14.192 -11.095 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.297 -11.502 -8.923 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.110 -10.182 -9.491 1.00 0.00 C ATOM 1222 C ALA A 91 0.810 -9.362 -8.598 1.00 0.00 C ATOM 1223 O ALA A 91 1.260 -9.842 -7.560 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.465 -9.499 -9.645 1.00 0.00 C ATOM 0 H ALA A 91 -0.408 -11.511 -7.909 1.00 0.00 H new ATOM 0 HA ALA A 91 0.353 -10.267 -10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.325 -8.506 -10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.098 -10.092 -10.305 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.941 -9.410 -8.668 1.00 0.00 H new ATOM 1230 N ALA A 92 1.089 -8.121 -9.004 1.00 0.00 N ATOM 1231 CA ALA A 92 1.953 -7.243 -8.242 1.00 0.00 C ATOM 1232 C ALA A 92 1.115 -6.368 -7.321 1.00 0.00 C ATOM 1233 O ALA A 92 0.156 -5.739 -7.762 1.00 0.00 O ATOM 1234 CB ALA A 92 2.779 -6.387 -9.198 1.00 0.00 C ATOM 0 H ALA A 92 0.723 -7.708 -9.862 1.00 0.00 H new ATOM 0 HA ALA A 92 2.632 -7.836 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.429 -5.726 -8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.386 -7.033 -9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.112 -5.790 -9.820 1.00 0.00 H new ATOM 1240 N CYS A 93 1.480 -6.330 -6.037 1.00 0.00 N ATOM 1241 CA CYS A 93 0.762 -5.534 -5.061 1.00 0.00 C ATOM 1242 C CYS A 93 1.567 -4.289 -4.720 1.00 0.00 C ATOM 1243 O CYS A 93 2.709 -4.148 -5.152 1.00 0.00 O ATOM 1244 CB CYS A 93 0.505 -6.372 -3.812 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.356 -7.931 -4.136 1.00 0.00 S ATOM 0 H CYS A 93 2.273 -6.846 -5.656 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.197 -5.221 -5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.458 -6.589 -3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.083 -5.784 -3.107 1.00 0.00 H new ATOM 1250 N GLN A 94 0.970 -3.384 -3.940 1.00 0.00 N ATOM 1251 CA GLN A 94 1.634 -2.157 -3.547 1.00 0.00 C ATOM 1252 C GLN A 94 0.980 -1.595 -2.292 1.00 0.00 C ATOM 1253 O GLN A 94 -0.236 -1.672 -2.136 1.00 0.00 O ATOM 1254 CB GLN A 94 1.560 -1.151 -4.692 1.00 0.00 C ATOM 1255 CG GLN A 94 0.515 -0.087 -4.369 1.00 0.00 C ATOM 1256 CD GLN A 94 0.046 0.616 -5.635 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.256 0.117 -6.738 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.590 1.778 -5.473 1.00 0.00 N ATOM 0 H GLN A 94 0.024 -3.487 -3.571 1.00 0.00 H new ATOM 0 HA GLN A 94 2.682 -2.361 -3.326 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.534 -0.685 -4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.301 -1.660 -5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.336 -0.548 -3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.935 0.643 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.740 2.151 -4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.926 2.293 -6.287 1.00 0.00 H new ATOM 1267 N VAL A 95 1.793 -1.029 -1.397 1.00 0.00 N ATOM 1268 CA VAL A 95 1.292 -0.458 -0.163 1.00 0.00 C ATOM 1269 C VAL A 95 1.143 1.049 -0.317 1.00 0.00 C ATOM 1270 O VAL A 95 1.692 1.638 -1.245 1.00 0.00 O ATOM 1271 CB VAL A 95 2.248 -0.793 0.977 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.087 0.233 2.095 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.930 -2.185 1.515 1.00 0.00 C ATOM 0 H VAL A 95 2.804 -0.958 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 95 0.313 -0.879 0.067 1.00 0.00 H new ATOM 0 HB VAL A 95 3.274 -0.771 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.770 -0.006 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.314 1.228 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.061 0.212 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.613 -2.425 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.904 -2.207 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.045 -2.919 0.717 1.00 0.00 H new ATOM 1283 N GLY A 96 0.397 1.675 0.597 1.00 0.00 N ATOM 1284 CA GLY A 96 0.184 3.108 0.554 1.00 0.00 C ATOM 1285 C GLY A 96 -0.700 3.545 1.714 1.00 0.00 C ATOM 1286 O GLY A 96 -1.396 2.726 2.310 1.00 0.00 O ATOM 0 H GLY A 96 -0.067 1.203 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.142 3.627 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.282 3.385 -0.392 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.670 4.841 2.033 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.465 5.380 3.118 1.00 0.00 C ATOM 1292 C LEU A 97 -2.299 6.550 2.615 1.00 0.00 C ATOM 1293 O LEU A 97 -1.799 7.404 1.887 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.545 5.821 4.253 1.00 0.00 C ATOM 1295 CG LEU A 97 0.278 7.024 3.801 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.446 7.992 4.969 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.650 6.554 3.328 1.00 0.00 C ATOM 0 H LEU A 97 -0.098 5.532 1.548 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.141 4.612 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.134 6.079 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.115 5.002 4.540 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.235 7.528 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.034 8.852 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.534 8.328 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.959 7.488 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.238 7.413 3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.164 6.050 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.530 5.863 2.494 1.00 0.00 H new ATOM 1309 N SER A 98 -3.575 6.587 3.006 1.00 0.00 N ATOM 1310 CA SER A 98 -4.469 7.651 2.595 1.00 0.00 C ATOM 1311 C SER A 98 -4.739 8.581 3.769 1.00 0.00 C ATOM 1312 O SER A 98 -4.568 8.194 4.923 1.00 0.00 O ATOM 1313 CB SER A 98 -5.769 7.047 2.073 1.00 0.00 C ATOM 1314 OG SER A 98 -6.542 6.586 3.158 1.00 0.00 O ATOM 0 H SER A 98 -4.005 5.886 3.609 1.00 0.00 H new ATOM 0 HA SER A 98 -4.007 8.232 1.797 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.327 7.792 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.552 6.224 1.391 1.00 0.00 H new ATOM 0 HG SER A 98 -6.630 5.611 3.106 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.164 9.811 3.472 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.456 10.789 4.501 1.00 0.00 C ATOM 1322 C ASP A 99 -6.949 11.079 4.528 1.00 0.00 C ATOM 1323 O ASP A 99 -7.734 10.357 3.916 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.662 12.064 4.230 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.520 13.096 3.514 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.966 12.782 2.389 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.714 14.181 4.104 1.00 0.00 O ATOM 0 H ASP A 99 -5.312 10.146 2.520 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.165 10.396 5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.298 12.477 5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.786 11.830 3.625 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.341 12.138 5.239 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.736 12.516 5.342 1.00 0.00 C ATOM 1334 C ALA A 100 -9.334 12.667 3.950 1.00 0.00 C ATOM 1335 O ALA A 100 -10.392 12.113 3.663 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.853 13.821 6.125 1.00 0.00 C ATOM 0 H ALA A 100 -6.702 12.746 5.751 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.289 11.740 5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.902 14.106 6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.439 13.684 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.301 14.606 5.608 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.652 13.421 3.084 1.00 0.00 N ATOM 1343 CA ALA A 101 -9.118 13.642 1.730 1.00 0.00 C ATOM 1344 C ALA A 101 -8.893 12.388 0.897 1.00 0.00 C ATOM 1345 O ALA A 101 -9.591 12.163 -0.089 1.00 0.00 O ATOM 1346 CB ALA A 101 -8.378 14.832 1.127 1.00 0.00 C ATOM 0 H ALA A 101 -7.772 13.887 3.307 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.186 13.862 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.727 15.000 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.569 15.722 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.308 14.626 1.114 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.915 11.571 1.295 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.608 10.348 0.580 1.00 0.00 C ATOM 1354 C GLY A 102 -6.335 10.519 -0.236 1.00 0.00 C ATOM 1355 O GLY A 102 -6.246 10.034 -1.362 1.00 0.00 O ATOM 0 H GLY A 102 -7.326 11.742 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.488 9.526 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.437 10.085 -0.077 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.347 11.212 0.335 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.086 11.443 -0.341 1.00 0.00 C ATOM 1361 C ASN A 103 -2.939 10.910 0.505 1.00 0.00 C ATOM 1362 O ASN A 103 -3.164 10.303 1.550 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.917 12.936 -0.603 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.324 13.751 0.617 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -5.305 14.490 0.572 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.568 13.613 1.708 1.00 0.00 N ATOM 0 H ASN A 103 -5.405 11.621 1.268 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.080 10.917 -1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.879 13.149 -0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.523 13.230 -1.460 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.795 14.134 2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.763 12.986 1.695 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.704 11.139 0.052 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.532 10.681 0.771 1.00 0.00 C ATOM 1375 C GLY A 104 0.682 10.676 -0.147 1.00 0.00 C ATOM 1376 O GLY A 104 0.676 11.323 -1.192 1.00 0.00 O ATOM 0 H GLY A 104 -1.499 11.641 -0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.346 11.329 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.705 9.678 1.162 1.00 0.00 H new ATOM 1380 N PRO A 105 1.726 9.944 0.246 1.00 0.00 N ATOM 1381 CA PRO A 105 2.962 9.819 -0.496 1.00 0.00 C ATOM 1382 C PRO A 105 2.731 8.957 -1.729 1.00 0.00 C ATOM 1383 O PRO A 105 1.787 8.172 -1.773 1.00 0.00 O ATOM 1384 CB PRO A 105 3.933 9.144 0.470 1.00 0.00 C ATOM 1385 CG PRO A 105 3.009 8.292 1.338 1.00 0.00 C ATOM 1386 CD PRO A 105 1.767 9.171 1.469 1.00 0.00 C ATOM 0 HA PRO A 105 3.347 10.777 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.669 8.536 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.486 9.873 1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.780 7.335 0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.454 8.072 2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.867 8.568 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.832 9.818 2.343 1.00 0.00 H new ATOM 1394 N GLU A 106 3.597 9.105 -2.735 1.00 0.00 N ATOM 1395 CA GLU A 106 3.481 8.341 -3.960 1.00 0.00 C ATOM 1396 C GLU A 106 3.149 6.890 -3.638 1.00 0.00 C ATOM 1397 O GLU A 106 3.607 6.355 -2.631 1.00 0.00 O ATOM 1398 CB GLU A 106 4.787 8.435 -4.743 1.00 0.00 C ATOM 1399 CG GLU A 106 5.902 7.750 -3.957 1.00 0.00 C ATOM 1400 CD GLU A 106 7.265 8.294 -4.361 1.00 0.00 C ATOM 1401 OE1 GLU A 106 7.448 8.520 -5.577 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.097 8.475 -3.447 1.00 0.00 O ATOM 0 H GLU A 106 4.386 9.752 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 106 2.675 8.749 -4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.673 7.963 -5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.042 9.480 -4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.747 7.904 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.869 6.675 -4.133 1.00 0.00 H new ATOM 1409 N GLY A 107 2.348 6.254 -4.497 1.00 0.00 N ATOM 1410 CA GLY A 107 1.963 4.872 -4.296 1.00 0.00 C ATOM 1411 C GLY A 107 3.197 4.004 -4.091 1.00 0.00 C ATOM 1412 O GLY A 107 4.312 4.427 -4.386 1.00 0.00 O ATOM 0 H GLY A 107 1.958 6.683 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.306 4.793 -3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.398 4.516 -5.158 1.00 0.00 H new ATOM 1416 N VAL A 108 2.994 2.786 -3.583 1.00 0.00 N ATOM 1417 CA VAL A 108 4.087 1.866 -3.341 1.00 0.00 C ATOM 1418 C VAL A 108 3.922 0.630 -4.213 1.00 0.00 C ATOM 1419 O VAL A 108 3.110 -0.242 -3.910 1.00 0.00 O ATOM 1420 CB VAL A 108 4.114 1.487 -1.864 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.011 0.268 -1.667 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.659 2.656 -1.049 1.00 0.00 C ATOM 0 H VAL A 108 2.075 2.421 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 108 5.033 2.343 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 108 3.103 1.252 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.030 -0.003 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.622 -0.568 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.022 0.503 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.679 2.386 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.670 2.892 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.019 3.527 -1.189 1.00 0.00 H new ATOM 1432 N ALA A 109 4.695 0.555 -5.299 1.00 0.00 N ATOM 1433 CA ALA A 109 4.630 -0.572 -6.208 1.00 0.00 C ATOM 1434 C ALA A 109 5.335 -1.771 -5.593 1.00 0.00 C ATOM 1435 O ALA A 109 6.449 -1.647 -5.088 1.00 0.00 O ATOM 1436 CB ALA A 109 5.273 -0.189 -7.538 1.00 0.00 C ATOM 0 H ALA A 109 5.373 1.269 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 109 3.589 -0.841 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.225 -1.036 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.739 0.658 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.315 0.085 -7.373 1.00 0.00 H new ATOM 1442 N ILE A 110 4.683 -2.936 -5.635 1.00 0.00 N ATOM 1443 CA ILE A 110 5.249 -4.151 -5.084 1.00 0.00 C ATOM 1444 C ILE A 110 4.889 -5.334 -5.972 1.00 0.00 C ATOM 1445 O ILE A 110 4.302 -5.158 -7.037 1.00 0.00 O ATOM 1446 CB ILE A 110 4.725 -4.359 -3.666 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.220 -4.609 -3.711 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.009 -3.113 -2.832 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.821 -5.516 -2.551 1.00 0.00 C ATOM 0 H ILE A 110 3.758 -3.054 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 110 6.335 -4.067 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 110 5.222 -5.219 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.681 -3.663 -3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.945 -5.071 -4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.635 -3.260 -1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.084 -2.934 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.511 -2.253 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.746 -5.695 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.350 -6.466 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.082 -5.036 -1.608 1.00 0.00 H new ATOM 1461 N SER A 111 5.243 -6.544 -5.531 1.00 0.00 N ATOM 1462 CA SER A 111 4.954 -7.746 -6.286 1.00 0.00 C ATOM 1463 C SER A 111 5.271 -8.974 -5.443 1.00 0.00 C ATOM 1464 O SER A 111 5.773 -8.852 -4.328 1.00 0.00 O ATOM 1465 CB SER A 111 5.775 -7.747 -7.572 1.00 0.00 C ATOM 1466 OG SER A 111 4.926 -8.001 -8.670 1.00 0.00 O ATOM 0 H SER A 111 5.732 -6.708 -4.651 1.00 0.00 H new ATOM 0 HA SER A 111 3.896 -7.771 -6.545 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.274 -6.786 -7.699 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.555 -8.507 -7.518 1.00 0.00 H new ATOM 0 HG SER A 111 5.280 -7.555 -9.467 1.00 0.00 H new ATOM 1472 N PHE A 112 4.978 -10.161 -5.980 1.00 0.00 N ATOM 1473 CA PHE A 112 5.235 -11.401 -5.276 1.00 0.00 C ATOM 1474 C PHE A 112 5.933 -12.386 -6.202 1.00 0.00 C ATOM 1475 O PHE A 112 5.351 -12.834 -7.188 1.00 0.00 O ATOM 1476 CB PHE A 112 3.916 -11.977 -4.767 1.00 0.00 C ATOM 1477 CG PHE A 112 3.163 -11.042 -3.852 1.00 0.00 C ATOM 1478 CD1 PHE A 112 2.658 -9.834 -4.347 1.00 0.00 C ATOM 1479 CD2 PHE A 112 2.966 -11.385 -2.509 1.00 0.00 C ATOM 1480 CE1 PHE A 112 1.958 -8.968 -3.498 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.266 -10.519 -1.661 1.00 0.00 C ATOM 1482 CZ PHE A 112 1.761 -9.311 -2.155 1.00 0.00 C ATOM 0 H PHE A 112 4.562 -10.280 -6.903 1.00 0.00 H new ATOM 0 HA PHE A 112 5.887 -11.212 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.284 -12.225 -5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.116 -12.908 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.808 -9.570 -5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.354 -12.318 -2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.570 -8.035 -3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.116 -10.783 -0.625 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.220 -8.644 -1.501 1.00 0.00 H new ATOM 1492 N ASN A 113 7.185 -12.723 -5.884 1.00 0.00 N ATOM 1493 CA ASN A 113 7.953 -13.652 -6.688 1.00 0.00 C ATOM 1494 C ASN A 113 8.070 -13.131 -8.114 1.00 0.00 C ATOM 1495 O ASN A 113 8.241 -11.933 -8.328 1.00 0.00 O ATOM 1496 CB ASN A 113 7.277 -15.020 -6.667 1.00 0.00 C ATOM 1497 CG ASN A 113 6.943 -15.438 -5.242 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.769 -16.040 -4.560 1.00 0.00 O ATOM 1499 ND2 ASN A 113 5.727 -15.115 -4.793 1.00 0.00 N ATOM 0 H ASN A 113 7.682 -12.360 -5.071 1.00 0.00 H new ATOM 0 HA ASN A 113 8.957 -13.749 -6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.366 -14.989 -7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.933 -15.761 -7.124 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.449 -15.369 -3.845 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.076 -14.614 -5.398 1.00 0.00 H new