USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 647 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0879 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.922 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00384 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= -0.697 (180deg=-2.52!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 31:sc= 0.325 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 28 GLN : amide:sc= -0.743 K(o=-0.74,f=-6.6!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= 0.0596 (180deg=0.00068) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.026 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.94! X(o=-1.9!,f=-1.7) USER MOD Single : A 60 GLN : amide:sc= -5.75! C(o=-5.8!,f=-6.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -1.88! USER MOD Single : A 66 GLN : amide:sc= -0.167 X(o=-0.17,f=0.21) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.358 F(o=-1.1,f=-0.36) USER MOD Single : A 70 MET CE :methyl 169:sc= 0 (180deg=-0.212) USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= -0.893 (180deg=-2.98!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= -0.0639 (180deg=-0.439) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0016 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.765 -6.706 -2.797 1.00 0.00 N ATOM 2 CA GLY A 1 29.224 -5.838 -3.827 1.00 0.00 C ATOM 3 C GLY A 1 27.748 -5.555 -3.629 1.00 0.00 C ATOM 4 O GLY A 1 27.165 -5.940 -2.616 1.00 0.00 O ATOM 0 H1 GLY A 1 30.540 -6.218 -2.304 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.017 -6.944 -2.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.127 -7.578 -3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.774 -4.897 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.375 -6.299 -4.803 1.00 0.00 H new ATOM 8 N SER A 2 27.142 -4.880 -4.600 1.00 0.00 N ATOM 9 CA SER A 2 25.725 -4.541 -4.526 1.00 0.00 C ATOM 10 C SER A 2 25.184 -4.165 -5.903 1.00 0.00 C ATOM 11 O SER A 2 25.934 -3.741 -6.782 1.00 0.00 O ATOM 12 CB SER A 2 25.506 -3.386 -3.547 1.00 0.00 C ATOM 13 OG SER A 2 25.352 -3.864 -2.222 1.00 0.00 O ATOM 0 H SER A 2 27.609 -4.557 -5.447 1.00 0.00 H new ATOM 0 HA SER A 2 25.185 -5.418 -4.169 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.352 -2.700 -3.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.621 -2.821 -3.838 1.00 0.00 H new ATOM 0 HG SER A 2 25.910 -4.659 -2.094 1.00 0.00 H new ATOM 19 N SER A 3 23.877 -4.323 -6.081 1.00 0.00 N ATOM 20 CA SER A 3 23.234 -4.005 -7.350 1.00 0.00 C ATOM 21 C SER A 3 21.717 -3.955 -7.194 1.00 0.00 C ATOM 22 O SER A 3 21.175 -4.348 -6.162 1.00 0.00 O ATOM 23 CB SER A 3 23.615 -5.038 -8.412 1.00 0.00 C ATOM 24 OG SER A 3 23.317 -4.565 -9.714 1.00 0.00 O ATOM 0 H SER A 3 23.242 -4.670 -5.362 1.00 0.00 H new ATOM 0 HA SER A 3 23.581 -3.022 -7.668 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.679 -5.264 -8.339 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.078 -5.968 -8.228 1.00 0.00 H new ATOM 0 HG SER A 3 23.571 -5.243 -10.374 1.00 0.00 H new ATOM 30 N GLY A 4 21.038 -3.468 -8.228 1.00 0.00 N ATOM 31 CA GLY A 4 19.590 -3.374 -8.186 1.00 0.00 C ATOM 32 C GLY A 4 18.941 -3.851 -9.471 1.00 0.00 C ATOM 33 O GLY A 4 18.586 -5.023 -9.597 1.00 0.00 O ATOM 0 H GLY A 4 21.464 -3.137 -9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.214 -3.966 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.301 -2.340 -7.999 1.00 0.00 H new ATOM 37 N SER A 5 18.784 -2.940 -10.426 1.00 0.00 N ATOM 38 CA SER A 5 18.168 -3.272 -11.705 1.00 0.00 C ATOM 39 C SER A 5 17.019 -4.258 -11.515 1.00 0.00 C ATOM 40 O SER A 5 16.966 -5.300 -12.167 1.00 0.00 O ATOM 41 CB SER A 5 19.209 -3.863 -12.658 1.00 0.00 C ATOM 42 OG SER A 5 20.315 -2.991 -12.810 1.00 0.00 O ATOM 0 H SER A 5 19.075 -1.966 -10.338 1.00 0.00 H new ATOM 0 HA SER A 5 17.769 -2.354 -12.137 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.551 -4.825 -12.277 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.752 -4.049 -13.630 1.00 0.00 H new ATOM 0 HG SER A 5 20.966 -3.393 -13.422 1.00 0.00 H new ATOM 48 N SER A 6 16.100 -3.919 -10.616 1.00 0.00 N ATOM 49 CA SER A 6 14.953 -4.774 -10.336 1.00 0.00 C ATOM 50 C SER A 6 13.917 -4.676 -11.452 1.00 0.00 C ATOM 51 O SER A 6 14.115 -3.969 -12.439 1.00 0.00 O ATOM 52 CB SER A 6 14.317 -4.389 -8.999 1.00 0.00 C ATOM 53 OG SER A 6 13.827 -3.060 -9.032 1.00 0.00 O ATOM 0 H SER A 6 16.128 -3.058 -10.069 1.00 0.00 H new ATOM 0 HA SER A 6 15.304 -5.804 -10.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.502 -5.075 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.052 -4.489 -8.201 1.00 0.00 H new ATOM 0 HG SER A 6 13.424 -2.838 -8.167 1.00 0.00 H new ATOM 59 N GLY A 7 12.809 -5.393 -11.288 1.00 0.00 N ATOM 60 CA GLY A 7 11.758 -5.374 -12.288 1.00 0.00 C ATOM 61 C GLY A 7 10.382 -5.583 -11.687 1.00 0.00 C ATOM 62 O GLY A 7 10.251 -6.135 -10.595 1.00 0.00 O ATOM 0 H GLY A 7 12.621 -5.987 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.780 -4.420 -12.815 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.950 -6.152 -13.027 1.00 0.00 H new ATOM 66 N GLY A 8 9.352 -5.138 -12.401 1.00 0.00 N ATOM 67 CA GLY A 8 7.993 -5.286 -11.914 1.00 0.00 C ATOM 68 C GLY A 8 7.193 -4.004 -12.029 1.00 0.00 C ATOM 69 O GLY A 8 7.027 -3.279 -11.048 1.00 0.00 O ATOM 0 H GLY A 8 9.435 -4.678 -13.308 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.493 -6.074 -12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.016 -5.604 -10.872 1.00 0.00 H new ATOM 73 N GLU A 9 6.697 -3.722 -13.230 1.00 0.00 N ATOM 74 CA GLU A 9 5.913 -2.517 -13.468 1.00 0.00 C ATOM 75 C GLU A 9 4.437 -2.857 -13.660 1.00 0.00 C ATOM 76 O GLU A 9 3.937 -2.954 -14.780 1.00 0.00 O ATOM 77 CB GLU A 9 6.440 -1.773 -14.698 1.00 0.00 C ATOM 78 CG GLU A 9 7.917 -1.431 -14.615 1.00 0.00 C ATOM 79 CD GLU A 9 8.263 -0.637 -13.370 1.00 0.00 C ATOM 80 OE1 GLU A 9 8.031 0.590 -13.366 1.00 0.00 O ATOM 81 OE2 GLU A 9 8.766 -1.243 -12.400 1.00 0.00 O ATOM 0 H GLU A 9 6.825 -4.312 -14.052 1.00 0.00 H new ATOM 0 HA GLU A 9 6.009 -1.873 -12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.266 -2.384 -15.584 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.869 -0.853 -14.828 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.501 -2.352 -14.628 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.204 -0.859 -15.497 1.00 0.00 H new ATOM 88 N PRO A 10 3.723 -3.043 -12.540 1.00 0.00 N ATOM 89 CA PRO A 10 2.296 -3.375 -12.557 1.00 0.00 C ATOM 90 C PRO A 10 1.435 -2.208 -13.028 1.00 0.00 C ATOM 91 O PRO A 10 1.951 -1.181 -13.467 1.00 0.00 O ATOM 92 CB PRO A 10 1.991 -3.707 -11.094 1.00 0.00 C ATOM 93 CG PRO A 10 3.019 -2.962 -10.314 1.00 0.00 C ATOM 94 CD PRO A 10 4.255 -2.943 -11.170 1.00 0.00 C ATOM 0 HA PRO A 10 2.076 -4.189 -13.248 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.983 -3.396 -10.819 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.055 -4.779 -10.910 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.682 -1.949 -10.092 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.213 -3.450 -9.359 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.828 -2.027 -11.027 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.919 -3.775 -10.935 1.00 0.00 H new ATOM 102 N GLY A 11 0.119 -2.374 -12.935 1.00 0.00 N ATOM 103 CA GLY A 11 -0.793 -1.326 -13.355 1.00 0.00 C ATOM 104 C GLY A 11 -1.934 -1.854 -14.201 1.00 0.00 C ATOM 105 O GLY A 11 -2.113 -1.439 -15.346 1.00 0.00 O ATOM 0 H GLY A 11 -0.332 -3.216 -12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.198 -0.827 -12.475 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.242 -0.575 -13.921 1.00 0.00 H new ATOM 109 N THR A 12 -2.708 -2.777 -13.638 1.00 0.00 N ATOM 110 CA THR A 12 -3.836 -3.365 -14.348 1.00 0.00 C ATOM 111 C THR A 12 -5.056 -3.485 -13.441 1.00 0.00 C ATOM 112 O THR A 12 -4.969 -3.261 -12.233 1.00 0.00 O ATOM 113 CB THR A 12 -3.485 -4.759 -14.903 1.00 0.00 C ATOM 114 OG1 THR A 12 -2.973 -5.589 -13.855 1.00 0.00 O ATOM 115 CG2 THR A 12 -2.459 -4.653 -16.021 1.00 0.00 C ATOM 0 H THR A 12 -2.574 -3.133 -12.692 1.00 0.00 H new ATOM 0 HA THR A 12 -4.068 -2.698 -15.178 1.00 0.00 H new ATOM 0 HB THR A 12 -4.394 -5.205 -15.307 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.754 -6.474 -14.216 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.227 -5.649 -16.397 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.864 -4.045 -16.830 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.550 -4.189 -15.638 1.00 0.00 H new ATOM 123 N LYS A 13 -6.193 -3.839 -14.030 1.00 0.00 N ATOM 124 CA LYS A 13 -7.431 -3.991 -13.275 1.00 0.00 C ATOM 125 C LYS A 13 -7.954 -2.636 -12.810 1.00 0.00 C ATOM 126 O LYS A 13 -8.443 -2.500 -11.689 1.00 0.00 O ATOM 127 CB LYS A 13 -7.208 -4.905 -12.068 1.00 0.00 C ATOM 128 CG LYS A 13 -8.472 -5.595 -11.586 1.00 0.00 C ATOM 129 CD LYS A 13 -8.831 -6.779 -12.468 1.00 0.00 C ATOM 130 CE LYS A 13 -8.003 -8.006 -12.118 1.00 0.00 C ATOM 131 NZ LYS A 13 -6.714 -8.036 -12.862 1.00 0.00 N ATOM 0 H LYS A 13 -6.283 -4.026 -15.029 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.175 -4.442 -13.932 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.468 -5.662 -12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.790 -4.318 -11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.334 -5.934 -10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.297 -4.882 -11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.890 -7.010 -12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.671 -6.517 -13.514 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.804 -8.016 -11.046 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.574 -8.906 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.552 -8.992 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.751 -7.356 -13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.937 -7.781 -12.220 1.00 0.00 H new ATOM 145 N ALA A 14 -7.850 -1.637 -13.680 1.00 0.00 N ATOM 146 CA ALA A 14 -8.316 -0.293 -13.360 1.00 0.00 C ATOM 147 C ALA A 14 -9.813 -0.156 -13.617 1.00 0.00 C ATOM 148 O ALA A 14 -10.247 -0.022 -14.762 1.00 0.00 O ATOM 149 CB ALA A 14 -7.543 0.740 -14.166 1.00 0.00 C ATOM 0 H ALA A 14 -7.447 -1.733 -14.612 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.138 -0.116 -12.299 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.902 1.739 -13.917 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.482 0.666 -13.929 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.691 0.556 -15.230 1.00 0.00 H new ATOM 155 N LYS A 15 -10.598 -0.190 -12.546 1.00 0.00 N ATOM 156 CA LYS A 15 -12.047 -0.068 -12.655 1.00 0.00 C ATOM 157 C LYS A 15 -12.585 0.948 -11.652 1.00 0.00 C ATOM 158 O LYS A 15 -12.014 1.138 -10.578 1.00 0.00 O ATOM 159 CB LYS A 15 -12.712 -1.427 -12.426 1.00 0.00 C ATOM 160 CG LYS A 15 -12.304 -2.482 -13.440 1.00 0.00 C ATOM 161 CD LYS A 15 -12.881 -3.844 -13.091 1.00 0.00 C ATOM 162 CE LYS A 15 -12.130 -4.965 -13.793 1.00 0.00 C ATOM 163 NZ LYS A 15 -12.625 -6.307 -13.381 1.00 0.00 N ATOM 0 H LYS A 15 -10.255 -0.301 -11.592 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.282 0.281 -13.661 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.462 -1.781 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.794 -1.303 -12.459 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.644 -2.185 -14.432 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.217 -2.546 -13.482 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.835 -3.994 -12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.933 -3.877 -13.373 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.237 -4.854 -14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.066 -4.886 -13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.088 -7.044 -13.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.499 -6.423 -12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.634 -6.393 -13.618 1.00 0.00 H new ATOM 177 N LYS A 16 -13.687 1.598 -12.009 1.00 0.00 N ATOM 178 CA LYS A 16 -14.305 2.593 -11.140 1.00 0.00 C ATOM 179 C LYS A 16 -15.661 2.109 -10.636 1.00 0.00 C ATOM 180 O LYS A 16 -15.889 2.018 -9.431 1.00 0.00 O ATOM 181 CB LYS A 16 -14.470 3.919 -11.886 1.00 0.00 C ATOM 182 CG LYS A 16 -15.028 5.037 -11.022 1.00 0.00 C ATOM 183 CD LYS A 16 -15.259 6.303 -11.830 1.00 0.00 C ATOM 184 CE LYS A 16 -13.962 7.065 -12.056 1.00 0.00 C ATOM 185 NZ LYS A 16 -14.041 7.951 -13.250 1.00 0.00 N ATOM 0 H LYS A 16 -14.171 1.454 -12.895 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.651 2.745 -10.281 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.502 4.226 -12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.131 3.766 -12.740 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.967 4.716 -10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.337 5.246 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.703 6.046 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.972 6.943 -11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.734 7.663 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.142 6.358 -12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.138 8.453 -13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.234 7.377 -14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.807 8.643 -13.119 1.00 0.00 H new ATOM 199 N GLY A 17 -16.557 1.797 -11.568 1.00 0.00 N ATOM 200 CA GLY A 17 -17.878 1.324 -11.197 1.00 0.00 C ATOM 201 C GLY A 17 -18.390 1.972 -9.927 1.00 0.00 C ATOM 202 O GLY A 17 -18.671 3.171 -9.902 1.00 0.00 O ATOM 0 H GLY A 17 -16.392 1.863 -12.572 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.575 1.526 -12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -17.849 0.243 -11.063 1.00 0.00 H new ATOM 206 N ARG A 18 -18.515 1.179 -8.868 1.00 0.00 N ATOM 207 CA ARG A 18 -19.000 1.682 -7.588 1.00 0.00 C ATOM 208 C ARG A 18 -17.876 1.719 -6.557 1.00 0.00 C ATOM 209 O ARG A 18 -16.966 0.890 -6.586 1.00 0.00 O ATOM 210 CB ARG A 18 -20.148 0.810 -7.076 1.00 0.00 C ATOM 211 CG ARG A 18 -21.054 1.519 -6.082 1.00 0.00 C ATOM 212 CD ARG A 18 -22.387 0.803 -5.935 1.00 0.00 C ATOM 213 NE ARG A 18 -22.252 -0.467 -5.228 1.00 0.00 N ATOM 214 CZ ARG A 18 -23.215 -1.380 -5.165 1.00 0.00 C ATOM 215 NH1 ARG A 18 -24.378 -1.164 -5.766 1.00 0.00 N ATOM 216 NH2 ARG A 18 -23.016 -2.512 -4.502 1.00 0.00 N ATOM 0 H ARG A 18 -18.287 0.185 -8.871 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.364 2.698 -7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -20.745 0.475 -7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.734 -0.082 -6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -20.560 1.573 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.225 2.544 -6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -23.085 1.444 -5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -22.813 0.625 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.369 -0.664 -4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -24.534 -0.296 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -25.116 -1.866 -5.716 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -22.123 -2.682 -4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -23.756 -3.212 -4.454 1.00 0.00 H new ATOM 230 N ARG A 19 -17.945 2.686 -5.648 1.00 0.00 N ATOM 231 CA ARG A 19 -16.933 2.833 -4.610 1.00 0.00 C ATOM 232 C ARG A 19 -17.223 1.905 -3.433 1.00 0.00 C ATOM 233 O ARG A 19 -17.034 2.277 -2.275 1.00 0.00 O ATOM 234 CB ARG A 19 -16.873 4.283 -4.127 1.00 0.00 C ATOM 235 CG ARG A 19 -18.095 4.710 -3.330 1.00 0.00 C ATOM 236 CD ARG A 19 -19.174 5.290 -4.231 1.00 0.00 C ATOM 237 NE ARG A 19 -19.987 6.287 -3.540 1.00 0.00 N ATOM 238 CZ ARG A 19 -21.032 5.982 -2.779 1.00 0.00 C ATOM 239 NH1 ARG A 19 -21.389 4.716 -2.611 1.00 0.00 N ATOM 240 NH2 ARG A 19 -21.723 6.946 -2.182 1.00 0.00 N ATOM 0 H ARG A 19 -18.692 3.380 -5.610 1.00 0.00 H new ATOM 0 HA ARG A 19 -15.968 2.560 -5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -15.983 4.416 -3.511 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -16.764 4.940 -4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.494 3.853 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -17.804 5.451 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -18.710 5.744 -5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -19.816 4.486 -4.592 1.00 0.00 H new ATOM 0 HE ARG A 19 -19.739 7.271 -3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -20.860 3.972 -3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -22.192 4.486 -2.026 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -21.451 7.921 -2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -22.525 6.711 -1.598 1.00 0.00 H new ATOM 254 N SER A 20 -17.684 0.696 -3.739 1.00 0.00 N ATOM 255 CA SER A 20 -18.005 -0.283 -2.707 1.00 0.00 C ATOM 256 C SER A 20 -17.060 -1.479 -2.781 1.00 0.00 C ATOM 257 O SER A 20 -17.491 -2.630 -2.707 1.00 0.00 O ATOM 258 CB SER A 20 -19.453 -0.753 -2.853 1.00 0.00 C ATOM 259 OG SER A 20 -20.359 0.246 -2.417 1.00 0.00 O ATOM 0 H SER A 20 -17.843 0.371 -4.693 1.00 0.00 H new ATOM 0 HA SER A 20 -17.882 0.196 -1.735 1.00 0.00 H new ATOM 0 HB2 SER A 20 -19.655 -1.002 -3.895 1.00 0.00 H new ATOM 0 HB3 SER A 20 -19.604 -1.663 -2.273 1.00 0.00 H new ATOM 0 HG SER A 20 -21.278 -0.078 -2.522 1.00 0.00 H new ATOM 265 N ARG A 21 -15.770 -1.198 -2.929 1.00 0.00 N ATOM 266 CA ARG A 21 -14.763 -2.249 -3.014 1.00 0.00 C ATOM 267 C ARG A 21 -14.137 -2.515 -1.649 1.00 0.00 C ATOM 268 O ARG A 21 -14.168 -3.639 -1.147 1.00 0.00 O ATOM 269 CB ARG A 21 -13.676 -1.864 -4.020 1.00 0.00 C ATOM 270 CG ARG A 21 -14.200 -1.648 -5.430 1.00 0.00 C ATOM 271 CD ARG A 21 -14.239 -2.950 -6.215 1.00 0.00 C ATOM 272 NE ARG A 21 -12.905 -3.513 -6.409 1.00 0.00 N ATOM 273 CZ ARG A 21 -12.677 -4.800 -6.646 1.00 0.00 C ATOM 274 NH1 ARG A 21 -13.690 -5.653 -6.719 1.00 0.00 N ATOM 275 NH2 ARG A 21 -11.435 -5.235 -6.812 1.00 0.00 N ATOM 0 H ARG A 21 -15.397 -0.251 -2.993 1.00 0.00 H new ATOM 0 HA ARG A 21 -15.255 -3.161 -3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.185 -0.952 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.917 -2.646 -4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.201 -1.218 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.567 -0.928 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.864 -3.672 -5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.703 -2.774 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.104 -2.883 -6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.646 -5.321 -6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.513 -6.641 -6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.654 -4.581 -6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.261 -6.223 -6.994 1.00 0.00 H new ATOM 289 N THR A 22 -13.568 -1.472 -1.051 1.00 0.00 N ATOM 290 CA THR A 22 -12.933 -1.592 0.255 1.00 0.00 C ATOM 291 C THR A 22 -13.950 -1.958 1.329 1.00 0.00 C ATOM 292 O THR A 22 -14.962 -1.278 1.498 1.00 0.00 O ATOM 293 CB THR A 22 -12.225 -0.285 0.658 1.00 0.00 C ATOM 294 OG1 THR A 22 -13.173 0.786 0.722 1.00 0.00 O ATOM 295 CG2 THR A 22 -11.125 0.063 -0.334 1.00 0.00 C ATOM 0 H THR A 22 -13.534 -0.534 -1.451 1.00 0.00 H new ATOM 0 HA THR A 22 -12.192 -2.387 0.174 1.00 0.00 H new ATOM 0 HB THR A 22 -11.774 -0.430 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.050 0.432 0.978 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.639 0.990 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.389 -0.741 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.557 0.190 -1.327 1.00 0.00 H new ATOM 303 N VAL A 23 -13.675 -3.038 2.055 1.00 0.00 N ATOM 304 CA VAL A 23 -14.567 -3.493 3.115 1.00 0.00 C ATOM 305 C VAL A 23 -13.829 -3.598 4.446 1.00 0.00 C ATOM 306 O VAL A 23 -14.097 -4.493 5.247 1.00 0.00 O ATOM 307 CB VAL A 23 -15.189 -4.861 2.777 1.00 0.00 C ATOM 308 CG1 VAL A 23 -16.501 -5.050 3.523 1.00 0.00 C ATOM 309 CG2 VAL A 23 -15.396 -4.994 1.276 1.00 0.00 C ATOM 0 H VAL A 23 -12.842 -3.613 1.928 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.362 -2.752 3.200 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.501 -5.643 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -16.926 -6.022 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -16.320 -5.000 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.199 -4.264 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.836 -5.966 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.064 -4.206 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.436 -4.906 0.767 1.00 0.00 H new ATOM 319 N PHE A 24 -12.899 -2.677 4.675 1.00 0.00 N ATOM 320 CA PHE A 24 -12.122 -2.666 5.908 1.00 0.00 C ATOM 321 C PHE A 24 -12.948 -2.114 7.067 1.00 0.00 C ATOM 322 O PHE A 24 -13.849 -1.299 6.870 1.00 0.00 O ATOM 323 CB PHE A 24 -10.853 -1.830 5.729 1.00 0.00 C ATOM 324 CG PHE A 24 -10.010 -2.262 4.563 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.220 -3.397 4.645 1.00 0.00 C ATOM 326 CD2 PHE A 24 -10.009 -1.534 3.384 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.444 -3.797 3.574 1.00 0.00 C ATOM 328 CE2 PHE A 24 -9.235 -1.928 2.310 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.452 -3.062 2.404 1.00 0.00 C ATOM 0 H PHE A 24 -12.665 -1.929 4.023 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.843 -3.694 6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.132 -0.784 5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.257 -1.889 6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.211 -3.976 5.557 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.621 -0.648 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.832 -4.683 3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.242 -1.350 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.847 -3.373 1.565 1.00 0.00 H new ATOM 339 N THR A 25 -12.634 -2.566 8.277 1.00 0.00 N ATOM 340 CA THR A 25 -13.347 -2.120 9.468 1.00 0.00 C ATOM 341 C THR A 25 -12.520 -1.114 10.260 1.00 0.00 C ATOM 342 O THR A 25 -11.291 -1.182 10.274 1.00 0.00 O ATOM 343 CB THR A 25 -13.708 -3.305 10.383 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.515 -3.935 10.862 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.562 -4.322 9.640 1.00 0.00 C ATOM 0 H THR A 25 -11.891 -3.241 8.458 1.00 0.00 H new ATOM 0 HA THR A 25 -14.265 -1.642 9.126 1.00 0.00 H new ATOM 0 HB THR A 25 -14.280 -2.922 11.228 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.753 -4.686 11.444 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.804 -5.150 10.306 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.483 -3.846 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.011 -4.699 8.778 1.00 0.00 H new ATOM 353 N GLU A 26 -13.201 -0.183 10.919 1.00 0.00 N ATOM 354 CA GLU A 26 -12.527 0.837 11.714 1.00 0.00 C ATOM 355 C GLU A 26 -11.289 0.264 12.398 1.00 0.00 C ATOM 356 O GLU A 26 -10.242 0.910 12.454 1.00 0.00 O ATOM 357 CB GLU A 26 -13.482 1.412 12.762 1.00 0.00 C ATOM 358 CG GLU A 26 -14.399 2.496 12.221 1.00 0.00 C ATOM 359 CD GLU A 26 -15.461 2.914 13.219 1.00 0.00 C ATOM 360 OE1 GLU A 26 -16.043 2.024 13.875 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.710 4.131 13.345 1.00 0.00 O ATOM 0 H GLU A 26 -14.219 -0.114 10.918 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.213 1.636 11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.090 0.604 13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.899 1.820 13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.803 3.366 11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.881 2.138 11.312 1.00 0.00 H new ATOM 368 N LEU A 27 -11.417 -0.952 12.917 1.00 0.00 N ATOM 369 CA LEU A 27 -10.310 -1.614 13.598 1.00 0.00 C ATOM 370 C LEU A 27 -9.189 -1.946 12.618 1.00 0.00 C ATOM 371 O LEU A 27 -8.053 -1.503 12.786 1.00 0.00 O ATOM 372 CB LEU A 27 -10.797 -2.890 14.285 1.00 0.00 C ATOM 373 CG LEU A 27 -9.813 -3.550 15.252 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.553 -4.428 16.250 1.00 0.00 C ATOM 375 CD2 LEU A 27 -8.778 -4.362 14.489 1.00 0.00 C ATOM 0 H LEU A 27 -12.277 -1.500 12.879 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.919 -0.931 14.352 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.712 -2.658 14.831 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.060 -3.615 13.515 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.295 -2.766 15.804 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.837 -4.889 16.930 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.254 -3.819 16.820 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.099 -5.206 15.716 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.087 -4.824 15.194 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.279 -5.138 13.910 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.226 -3.707 13.816 1.00 0.00 H new ATOM 387 N GLN A 28 -9.517 -2.728 11.594 1.00 0.00 N ATOM 388 CA GLN A 28 -8.538 -3.118 10.587 1.00 0.00 C ATOM 389 C GLN A 28 -7.790 -1.900 10.054 1.00 0.00 C ATOM 390 O GLN A 28 -6.567 -1.922 9.912 1.00 0.00 O ATOM 391 CB GLN A 28 -9.225 -3.854 9.435 1.00 0.00 C ATOM 392 CG GLN A 28 -9.808 -5.200 9.835 1.00 0.00 C ATOM 393 CD GLN A 28 -10.618 -5.838 8.724 1.00 0.00 C ATOM 394 OE1 GLN A 28 -11.279 -5.149 7.947 1.00 0.00 O ATOM 395 NE2 GLN A 28 -10.569 -7.163 8.642 1.00 0.00 N ATOM 0 H GLN A 28 -10.453 -3.104 11.440 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.817 -3.787 11.057 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.022 -3.226 9.037 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.506 -4.004 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.999 -5.872 10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.441 -5.071 10.713 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.008 -7.695 9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.092 -7.649 7.914 1.00 0.00 H new ATOM 404 N LEU A 29 -8.533 -0.839 9.759 1.00 0.00 N ATOM 405 CA LEU A 29 -7.941 0.389 9.241 1.00 0.00 C ATOM 406 C LEU A 29 -6.969 0.994 10.250 1.00 0.00 C ATOM 407 O LEU A 29 -5.852 1.372 9.901 1.00 0.00 O ATOM 408 CB LEU A 29 -9.035 1.402 8.900 1.00 0.00 C ATOM 409 CG LEU A 29 -9.779 1.169 7.584 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.930 2.153 7.440 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.825 1.284 6.404 1.00 0.00 C ATOM 0 H LEU A 29 -9.546 -0.805 9.870 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.388 0.142 8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.764 1.406 9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.586 2.395 8.870 1.00 0.00 H new ATOM 0 HG LEU A 29 -10.190 0.160 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.448 1.972 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.627 2.022 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.542 3.171 7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.372 1.115 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.383 2.280 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.035 0.539 6.500 1.00 0.00 H new ATOM 423 N MET A 30 -7.403 1.079 11.503 1.00 0.00 N ATOM 424 CA MET A 30 -6.571 1.634 12.564 1.00 0.00 C ATOM 425 C MET A 30 -5.213 0.941 12.608 1.00 0.00 C ATOM 426 O MET A 30 -4.179 1.589 12.765 1.00 0.00 O ATOM 427 CB MET A 30 -7.271 1.496 13.917 1.00 0.00 C ATOM 428 CG MET A 30 -6.423 1.959 15.090 1.00 0.00 C ATOM 429 SD MET A 30 -7.414 2.408 16.528 1.00 0.00 S ATOM 430 CE MET A 30 -7.833 0.789 17.170 1.00 0.00 C ATOM 0 H MET A 30 -8.326 0.771 11.809 1.00 0.00 H new ATOM 0 HA MET A 30 -6.413 2.691 12.352 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.196 2.072 13.899 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.548 0.453 14.069 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.727 1.166 15.366 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.824 2.817 14.784 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.447 0.900 18.064 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.388 0.231 16.416 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.920 0.250 17.422 1.00 0.00 H new ATOM 440 N GLY A 31 -5.223 -0.382 12.469 1.00 0.00 N ATOM 441 CA GLY A 31 -3.987 -1.141 12.496 1.00 0.00 C ATOM 442 C GLY A 31 -3.129 -0.895 11.271 1.00 0.00 C ATOM 443 O GLY A 31 -1.964 -0.511 11.386 1.00 0.00 O ATOM 0 H GLY A 31 -6.066 -0.941 12.338 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.422 -0.878 13.390 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.218 -2.204 12.566 1.00 0.00 H new ATOM 447 N LEU A 32 -3.703 -1.119 10.094 1.00 0.00 N ATOM 448 CA LEU A 32 -2.983 -0.921 8.841 1.00 0.00 C ATOM 449 C LEU A 32 -2.199 0.387 8.864 1.00 0.00 C ATOM 450 O LEU A 32 -1.022 0.423 8.506 1.00 0.00 O ATOM 451 CB LEU A 32 -3.959 -0.923 7.663 1.00 0.00 C ATOM 452 CG LEU A 32 -4.454 -2.295 7.204 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.626 -2.146 6.246 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.325 -3.079 6.552 1.00 0.00 C ATOM 0 H LEU A 32 -4.665 -1.438 9.981 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.278 -1.744 8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.825 -0.318 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.478 -0.431 6.818 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.795 -2.849 8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.965 -3.132 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.442 -1.625 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.312 -1.573 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.696 -4.053 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.953 -2.530 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.516 -3.217 7.270 1.00 0.00 H new ATOM 466 N GLU A 33 -2.859 1.460 9.290 1.00 0.00 N ATOM 467 CA GLU A 33 -2.222 2.770 9.362 1.00 0.00 C ATOM 468 C GLU A 33 -1.000 2.731 10.274 1.00 0.00 C ATOM 469 O GLU A 33 0.039 3.314 9.964 1.00 0.00 O ATOM 470 CB GLU A 33 -3.216 3.818 9.866 1.00 0.00 C ATOM 471 CG GLU A 33 -4.408 4.019 8.945 1.00 0.00 C ATOM 472 CD GLU A 33 -5.417 5.004 9.504 1.00 0.00 C ATOM 473 OE1 GLU A 33 -5.134 6.220 9.482 1.00 0.00 O ATOM 474 OE2 GLU A 33 -6.490 4.558 9.962 1.00 0.00 O ATOM 0 H GLU A 33 -3.834 1.448 9.590 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.896 3.043 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.575 3.522 10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.698 4.769 9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.058 4.374 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.897 3.060 8.776 1.00 0.00 H new ATOM 481 N LYS A 34 -1.132 2.041 11.402 1.00 0.00 N ATOM 482 CA LYS A 34 -0.040 1.925 12.361 1.00 0.00 C ATOM 483 C LYS A 34 1.217 1.379 11.690 1.00 0.00 C ATOM 484 O LYS A 34 2.292 1.972 11.789 1.00 0.00 O ATOM 485 CB LYS A 34 -0.447 1.015 13.522 1.00 0.00 C ATOM 486 CG LYS A 34 0.416 1.185 14.760 1.00 0.00 C ATOM 487 CD LYS A 34 0.068 2.459 15.511 1.00 0.00 C ATOM 488 CE LYS A 34 -1.177 2.280 16.366 1.00 0.00 C ATOM 489 NZ LYS A 34 -0.854 1.716 17.706 1.00 0.00 N ATOM 0 H LYS A 34 -1.985 1.553 11.674 1.00 0.00 H new ATOM 0 HA LYS A 34 0.178 2.921 12.747 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.486 1.216 13.783 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.396 -0.023 13.194 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.284 0.326 15.418 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.467 1.207 14.472 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.906 2.750 16.144 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.091 3.270 14.800 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.675 3.242 16.487 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.877 1.620 15.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.729 1.609 18.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.401 0.787 17.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.206 2.358 18.206 1.00 0.00 H new ATOM 503 N ARG A 35 1.074 0.248 11.008 1.00 0.00 N ATOM 504 CA ARG A 35 2.198 -0.377 10.321 1.00 0.00 C ATOM 505 C ARG A 35 2.670 0.485 9.154 1.00 0.00 C ATOM 506 O ARG A 35 3.791 0.993 9.157 1.00 0.00 O ATOM 507 CB ARG A 35 1.806 -1.767 9.817 1.00 0.00 C ATOM 508 CG ARG A 35 2.047 -2.874 10.831 1.00 0.00 C ATOM 509 CD ARG A 35 1.736 -2.410 12.246 1.00 0.00 C ATOM 510 NE ARG A 35 1.547 -3.533 13.161 1.00 0.00 N ATOM 511 CZ ARG A 35 0.899 -3.438 14.316 1.00 0.00 C ATOM 512 NH1 ARG A 35 0.379 -2.279 14.696 1.00 0.00 N ATOM 513 NH2 ARG A 35 0.769 -4.505 15.095 1.00 0.00 N ATOM 0 H ARG A 35 0.191 -0.255 10.916 1.00 0.00 H new ATOM 0 HA ARG A 35 3.018 -0.474 11.033 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.751 -1.760 9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.369 -1.988 8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.427 -3.736 10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.085 -3.202 10.774 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.549 -1.780 12.608 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.836 -1.795 12.236 1.00 0.00 H new ATOM 0 HE ARG A 35 1.934 -4.439 12.898 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.476 -1.457 14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.118 -2.210 15.584 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.167 -5.399 14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.271 -4.431 15.982 1.00 0.00 H new ATOM 527 N PHE A 36 1.806 0.645 8.157 1.00 0.00 N ATOM 528 CA PHE A 36 2.134 1.444 6.982 1.00 0.00 C ATOM 529 C PHE A 36 2.955 2.670 7.370 1.00 0.00 C ATOM 530 O PHE A 36 3.945 2.998 6.717 1.00 0.00 O ATOM 531 CB PHE A 36 0.856 1.879 6.262 1.00 0.00 C ATOM 532 CG PHE A 36 1.112 2.701 5.031 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.671 3.965 5.131 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.793 2.211 3.775 1.00 0.00 C ATOM 535 CE1 PHE A 36 1.907 4.724 4.000 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.026 2.965 2.641 1.00 0.00 C ATOM 537 CZ PHE A 36 1.585 4.223 2.754 1.00 0.00 C ATOM 0 H PHE A 36 0.874 0.232 8.139 1.00 0.00 H new ATOM 0 HA PHE A 36 2.730 0.828 6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.285 0.993 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.238 2.454 6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.925 4.361 6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.357 1.227 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.343 5.708 4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.772 2.571 1.668 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.770 4.814 1.869 1.00 0.00 H new ATOM 547 N GLU A 37 2.535 3.342 8.437 1.00 0.00 N ATOM 548 CA GLU A 37 3.231 4.533 8.912 1.00 0.00 C ATOM 549 C GLU A 37 4.652 4.193 9.352 1.00 0.00 C ATOM 550 O GLU A 37 5.612 4.854 8.955 1.00 0.00 O ATOM 551 CB GLU A 37 2.464 5.170 10.072 1.00 0.00 C ATOM 552 CG GLU A 37 1.356 6.110 9.626 1.00 0.00 C ATOM 553 CD GLU A 37 1.847 7.175 8.664 1.00 0.00 C ATOM 554 OE1 GLU A 37 2.959 7.700 8.878 1.00 0.00 O ATOM 555 OE2 GLU A 37 1.118 7.482 7.697 1.00 0.00 O ATOM 0 H GLU A 37 1.717 3.083 8.989 1.00 0.00 H new ATOM 0 HA GLU A 37 3.285 5.245 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.033 4.381 10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.164 5.720 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.564 5.532 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.918 6.590 10.501 1.00 0.00 H new ATOM 562 N LYS A 38 4.778 3.159 10.176 1.00 0.00 N ATOM 563 CA LYS A 38 6.080 2.729 10.672 1.00 0.00 C ATOM 564 C LYS A 38 6.989 2.310 9.521 1.00 0.00 C ATOM 565 O LYS A 38 8.132 2.758 9.426 1.00 0.00 O ATOM 566 CB LYS A 38 5.917 1.568 11.655 1.00 0.00 C ATOM 567 CG LYS A 38 5.497 2.005 13.048 1.00 0.00 C ATOM 568 CD LYS A 38 6.668 2.579 13.829 1.00 0.00 C ATOM 569 CE LYS A 38 6.428 2.503 15.329 1.00 0.00 C ATOM 570 NZ LYS A 38 7.512 3.172 16.099 1.00 0.00 N ATOM 0 H LYS A 38 3.993 2.602 10.515 1.00 0.00 H new ATOM 0 HA LYS A 38 6.540 3.572 11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.176 0.872 11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.860 1.025 11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.707 2.752 12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.081 1.154 13.587 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.577 2.033 13.577 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.828 3.617 13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.472 2.969 15.568 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.358 1.459 15.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.311 3.098 17.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.421 2.711 15.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.562 4.175 15.828 1.00 0.00 H new ATOM 584 N GLN A 39 6.473 1.451 8.648 1.00 0.00 N ATOM 585 CA GLN A 39 7.240 0.973 7.503 1.00 0.00 C ATOM 586 C GLN A 39 6.472 1.194 6.204 1.00 0.00 C ATOM 587 O GLN A 39 5.593 0.408 5.848 1.00 0.00 O ATOM 588 CB GLN A 39 7.571 -0.511 7.667 1.00 0.00 C ATOM 589 CG GLN A 39 8.873 -0.922 6.998 1.00 0.00 C ATOM 590 CD GLN A 39 9.440 -2.208 7.565 1.00 0.00 C ATOM 591 OE1 GLN A 39 10.119 -2.201 8.592 1.00 0.00 O ATOM 592 NE2 GLN A 39 9.164 -3.322 6.897 1.00 0.00 N ATOM 0 H GLN A 39 5.528 1.072 8.711 1.00 0.00 H new ATOM 0 HA GLN A 39 8.169 1.542 7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.628 -0.747 8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.756 -1.104 7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.704 -1.044 5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.605 -0.123 7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.597 -3.282 6.050 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.519 -4.218 7.231 1.00 0.00 H new ATOM 601 N LYS A 40 6.808 2.268 5.498 1.00 0.00 N ATOM 602 CA LYS A 40 6.151 2.593 4.238 1.00 0.00 C ATOM 603 C LYS A 40 5.818 1.327 3.456 1.00 0.00 C ATOM 604 O LYS A 40 4.828 1.279 2.725 1.00 0.00 O ATOM 605 CB LYS A 40 7.045 3.506 3.394 1.00 0.00 C ATOM 606 CG LYS A 40 7.218 4.897 3.979 1.00 0.00 C ATOM 607 CD LYS A 40 5.987 5.756 3.748 1.00 0.00 C ATOM 608 CE LYS A 40 5.855 6.838 4.810 1.00 0.00 C ATOM 609 NZ LYS A 40 4.433 7.209 5.050 1.00 0.00 N ATOM 0 H LYS A 40 7.533 2.929 5.778 1.00 0.00 H new ATOM 0 HA LYS A 40 5.221 3.114 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.025 3.042 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.621 3.592 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.414 4.821 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.087 5.377 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.044 6.217 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.097 5.127 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.301 6.489 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.413 7.721 4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.357 7.733 5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.093 7.806 4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.854 6.347 5.104 1.00 0.00 H new ATOM 623 N TYR A 41 6.648 0.302 3.616 1.00 0.00 N ATOM 624 CA TYR A 41 6.441 -0.965 2.924 1.00 0.00 C ATOM 625 C TYR A 41 6.569 -2.139 3.889 1.00 0.00 C ATOM 626 O TYR A 41 6.790 -1.954 5.087 1.00 0.00 O ATOM 627 CB TYR A 41 7.448 -1.116 1.783 1.00 0.00 C ATOM 628 CG TYR A 41 7.338 -0.036 0.731 1.00 0.00 C ATOM 629 CD1 TYR A 41 7.773 1.258 0.988 1.00 0.00 C ATOM 630 CD2 TYR A 41 6.799 -0.309 -0.521 1.00 0.00 C ATOM 631 CE1 TYR A 41 7.674 2.249 0.030 1.00 0.00 C ATOM 632 CE2 TYR A 41 6.697 0.675 -1.485 1.00 0.00 C ATOM 633 CZ TYR A 41 7.135 1.952 -1.205 1.00 0.00 C ATOM 634 OH TYR A 41 7.036 2.936 -2.162 1.00 0.00 O ATOM 0 H TYR A 41 7.470 0.324 4.219 1.00 0.00 H new ATOM 0 HA TYR A 41 5.432 -0.965 2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.457 -1.107 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.306 -2.088 1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.196 1.494 1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.454 -1.308 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.016 3.250 0.247 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.276 0.445 -2.453 1.00 0.00 H new ATOM 0 HH TYR A 41 6.636 2.563 -2.975 1.00 0.00 H new ATOM 644 N LEU A 42 6.429 -3.349 3.359 1.00 0.00 N ATOM 645 CA LEU A 42 6.530 -4.557 4.172 1.00 0.00 C ATOM 646 C LEU A 42 7.174 -5.692 3.383 1.00 0.00 C ATOM 647 O LEU A 42 6.928 -5.848 2.187 1.00 0.00 O ATOM 648 CB LEU A 42 5.144 -4.982 4.661 1.00 0.00 C ATOM 649 CG LEU A 42 4.481 -4.059 5.684 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.987 -4.333 5.760 1.00 0.00 C ATOM 651 CD2 LEU A 42 5.126 -4.227 7.052 1.00 0.00 C ATOM 0 H LEU A 42 6.245 -3.520 2.370 1.00 0.00 H new ATOM 0 HA LEU A 42 7.161 -4.335 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.486 -5.066 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.224 -5.977 5.098 1.00 0.00 H new ATOM 0 HG LEU A 42 4.625 -3.028 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.532 -3.667 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.535 -4.160 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.822 -5.368 6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.641 -3.562 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.014 -5.260 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.186 -3.980 6.988 1.00 0.00 H new ATOM 663 N SER A 43 7.998 -6.484 4.061 1.00 0.00 N ATOM 664 CA SER A 43 8.678 -7.605 3.423 1.00 0.00 C ATOM 665 C SER A 43 7.687 -8.705 3.055 1.00 0.00 C ATOM 666 O SER A 43 6.477 -8.551 3.228 1.00 0.00 O ATOM 667 CB SER A 43 9.759 -8.167 4.349 1.00 0.00 C ATOM 668 OG SER A 43 10.580 -7.132 4.861 1.00 0.00 O ATOM 0 H SER A 43 8.211 -6.370 5.052 1.00 0.00 H new ATOM 0 HA SER A 43 9.145 -7.240 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.292 -8.706 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.371 -8.885 3.804 1.00 0.00 H new ATOM 0 HG SER A 43 11.261 -7.517 5.451 1.00 0.00 H new ATOM 674 N THR A 44 8.208 -9.816 2.545 1.00 0.00 N ATOM 675 CA THR A 44 7.371 -10.942 2.151 1.00 0.00 C ATOM 676 C THR A 44 6.638 -11.530 3.351 1.00 0.00 C ATOM 677 O THR A 44 5.409 -11.581 3.395 1.00 0.00 O ATOM 678 CB THR A 44 8.201 -12.051 1.476 1.00 0.00 C ATOM 679 OG1 THR A 44 8.228 -11.848 0.059 1.00 0.00 O ATOM 680 CG2 THR A 44 7.623 -13.423 1.786 1.00 0.00 C ATOM 0 H THR A 44 9.207 -9.960 2.395 1.00 0.00 H new ATOM 0 HA THR A 44 6.642 -10.558 1.437 1.00 0.00 H new ATOM 0 HB THR A 44 9.217 -12.005 1.869 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.759 -12.556 -0.363 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.225 -14.190 1.299 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.630 -13.586 2.864 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.599 -13.478 1.418 1.00 0.00 H new ATOM 688 N PRO A 45 7.409 -11.985 4.351 1.00 0.00 N ATOM 689 CA PRO A 45 6.854 -12.577 5.572 1.00 0.00 C ATOM 690 C PRO A 45 6.154 -11.545 6.450 1.00 0.00 C ATOM 691 O PRO A 45 5.066 -11.793 6.968 1.00 0.00 O ATOM 692 CB PRO A 45 8.087 -13.138 6.285 1.00 0.00 C ATOM 693 CG PRO A 45 9.222 -12.313 5.786 1.00 0.00 C ATOM 694 CD PRO A 45 8.881 -11.956 4.366 1.00 0.00 C ATOM 0 HA PRO A 45 6.093 -13.326 5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.987 -13.061 7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.233 -14.193 6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.350 -11.417 6.394 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.159 -12.868 5.835 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.266 -10.973 4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.304 -12.670 3.659 1.00 0.00 H new ATOM 702 N ASP A 46 6.785 -10.387 6.612 1.00 0.00 N ATOM 703 CA ASP A 46 6.222 -9.317 7.426 1.00 0.00 C ATOM 704 C ASP A 46 4.747 -9.105 7.101 1.00 0.00 C ATOM 705 O ASP A 46 3.884 -9.243 7.968 1.00 0.00 O ATOM 706 CB ASP A 46 6.997 -8.017 7.205 1.00 0.00 C ATOM 707 CG ASP A 46 8.242 -7.932 8.066 1.00 0.00 C ATOM 708 OD1 ASP A 46 9.120 -8.809 7.927 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.339 -6.989 8.879 1.00 0.00 O ATOM 0 H ASP A 46 7.687 -10.166 6.190 1.00 0.00 H new ATOM 0 HA ASP A 46 6.307 -9.608 8.473 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.279 -7.939 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.348 -7.169 7.424 1.00 0.00 H new ATOM 714 N ARG A 47 4.465 -8.769 5.846 1.00 0.00 N ATOM 715 CA ARG A 47 3.095 -8.536 5.407 1.00 0.00 C ATOM 716 C ARG A 47 2.170 -9.647 5.897 1.00 0.00 C ATOM 717 O ARG A 47 1.051 -9.387 6.339 1.00 0.00 O ATOM 718 CB ARG A 47 3.034 -8.444 3.881 1.00 0.00 C ATOM 719 CG ARG A 47 1.633 -8.212 3.340 1.00 0.00 C ATOM 720 CD ARG A 47 1.628 -8.136 1.821 1.00 0.00 C ATOM 721 NE ARG A 47 1.905 -9.432 1.208 1.00 0.00 N ATOM 722 CZ ARG A 47 2.305 -9.578 -0.051 1.00 0.00 C ATOM 723 NH1 ARG A 47 2.474 -8.515 -0.824 1.00 0.00 N ATOM 724 NH2 ARG A 47 2.537 -10.791 -0.537 1.00 0.00 N ATOM 0 H ARG A 47 5.168 -8.652 5.116 1.00 0.00 H new ATOM 0 HA ARG A 47 2.759 -7.592 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.682 -7.633 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.431 -9.365 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.977 -9.019 3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.231 -7.287 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.659 -7.773 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.374 -7.412 1.492 1.00 0.00 H new ATOM 0 HE ARG A 47 1.785 -10.270 1.777 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.297 -7.581 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.781 -8.630 -1.790 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.408 -11.611 0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.844 -10.903 -1.503 1.00 0.00 H new ATOM 738 N ILE A 48 2.647 -10.885 5.815 1.00 0.00 N ATOM 739 CA ILE A 48 1.863 -12.035 6.250 1.00 0.00 C ATOM 740 C ILE A 48 1.568 -11.964 7.745 1.00 0.00 C ATOM 741 O ILE A 48 0.409 -11.978 8.160 1.00 0.00 O ATOM 742 CB ILE A 48 2.588 -13.358 5.943 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.977 -13.421 4.465 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.709 -14.543 6.317 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.955 -14.530 4.144 1.00 0.00 C ATOM 0 H ILE A 48 3.571 -11.117 5.452 1.00 0.00 H new ATOM 0 HA ILE A 48 0.925 -12.007 5.695 1.00 0.00 H new ATOM 0 HB ILE A 48 3.499 -13.403 6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.076 -13.557 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.414 -12.466 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.235 -15.471 6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.478 -14.503 7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.783 -14.504 5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.186 -14.515 3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.871 -14.384 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.513 -15.492 4.406 1.00 0.00 H new ATOM 757 N ASP A 49 2.623 -11.888 8.548 1.00 0.00 N ATOM 758 CA ASP A 49 2.478 -11.812 9.997 1.00 0.00 C ATOM 759 C ASP A 49 1.383 -10.821 10.382 1.00 0.00 C ATOM 760 O ASP A 49 0.513 -11.128 11.197 1.00 0.00 O ATOM 761 CB ASP A 49 3.803 -11.404 10.643 1.00 0.00 C ATOM 762 CG ASP A 49 3.854 -11.743 12.120 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.179 -12.709 12.531 1.00 0.00 O ATOM 764 OD2 ASP A 49 4.570 -11.040 12.865 1.00 0.00 O ATOM 0 H ASP A 49 3.589 -11.877 8.220 1.00 0.00 H new ATOM 0 HA ASP A 49 2.194 -12.799 10.362 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.624 -11.905 10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.952 -10.332 10.514 1.00 0.00 H new ATOM 769 N LEU A 50 1.434 -9.633 9.791 1.00 0.00 N ATOM 770 CA LEU A 50 0.448 -8.596 10.073 1.00 0.00 C ATOM 771 C LEU A 50 -0.944 -9.033 9.628 1.00 0.00 C ATOM 772 O LEU A 50 -1.862 -9.138 10.441 1.00 0.00 O ATOM 773 CB LEU A 50 0.834 -7.293 9.371 1.00 0.00 C ATOM 774 CG LEU A 50 -0.290 -6.272 9.186 1.00 0.00 C ATOM 775 CD1 LEU A 50 -0.733 -5.716 10.530 1.00 0.00 C ATOM 776 CD2 LEU A 50 0.158 -5.147 8.263 1.00 0.00 C ATOM 0 H LEU A 50 2.147 -9.364 9.114 1.00 0.00 H new ATOM 0 HA LEU A 50 0.430 -8.430 11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.636 -6.822 9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.240 -7.539 8.390 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.140 -6.776 8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.533 -4.991 10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.095 -6.529 11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.111 -5.228 11.018 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.654 -4.430 8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.024 -4.645 8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.425 -5.559 7.290 1.00 0.00 H new ATOM 788 N ALA A 51 -1.093 -9.289 8.332 1.00 0.00 N ATOM 789 CA ALA A 51 -2.371 -9.719 7.780 1.00 0.00 C ATOM 790 C ALA A 51 -3.031 -10.765 8.673 1.00 0.00 C ATOM 791 O ALA A 51 -4.256 -10.861 8.729 1.00 0.00 O ATOM 792 CB ALA A 51 -2.181 -10.268 6.374 1.00 0.00 C ATOM 0 H ALA A 51 -0.344 -9.206 7.645 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.029 -8.851 7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.144 -10.585 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.760 -9.492 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.502 -11.120 6.405 1.00 0.00 H new ATOM 798 N GLU A 52 -2.210 -11.545 9.369 1.00 0.00 N ATOM 799 CA GLU A 52 -2.715 -12.585 10.257 1.00 0.00 C ATOM 800 C GLU A 52 -3.205 -11.985 11.572 1.00 0.00 C ATOM 801 O GLU A 52 -4.179 -12.458 12.158 1.00 0.00 O ATOM 802 CB GLU A 52 -1.627 -13.625 10.532 1.00 0.00 C ATOM 803 CG GLU A 52 -1.599 -14.758 9.520 1.00 0.00 C ATOM 804 CD GLU A 52 -2.879 -15.570 9.516 1.00 0.00 C ATOM 805 OE1 GLU A 52 -3.254 -16.091 10.588 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.507 -15.684 8.443 1.00 0.00 O ATOM 0 H GLU A 52 -1.193 -11.476 9.335 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.556 -13.072 9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.656 -13.130 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.778 -14.042 11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.431 -14.347 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.757 -15.415 9.739 1.00 0.00 H new ATOM 813 N SER A 53 -2.522 -10.942 12.031 1.00 0.00 N ATOM 814 CA SER A 53 -2.883 -10.280 13.279 1.00 0.00 C ATOM 815 C SER A 53 -4.217 -9.551 13.140 1.00 0.00 C ATOM 816 O SER A 53 -5.061 -9.601 14.036 1.00 0.00 O ATOM 817 CB SER A 53 -1.790 -9.293 13.693 1.00 0.00 C ATOM 818 OG SER A 53 -2.013 -8.806 15.005 1.00 0.00 O ATOM 0 H SER A 53 -1.715 -10.537 11.557 1.00 0.00 H new ATOM 0 HA SER A 53 -2.984 -11.043 14.051 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.817 -9.781 13.644 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.764 -8.459 12.992 1.00 0.00 H new ATOM 0 HG SER A 53 -1.300 -8.178 15.247 1.00 0.00 H new ATOM 824 N LEU A 54 -4.399 -8.874 12.012 1.00 0.00 N ATOM 825 CA LEU A 54 -5.629 -8.133 11.754 1.00 0.00 C ATOM 826 C LEU A 54 -6.668 -9.022 11.078 1.00 0.00 C ATOM 827 O LEU A 54 -7.870 -8.788 11.194 1.00 0.00 O ATOM 828 CB LEU A 54 -5.338 -6.912 10.880 1.00 0.00 C ATOM 829 CG LEU A 54 -4.467 -5.826 11.512 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.173 -4.725 10.505 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.142 -5.253 12.749 1.00 0.00 C ATOM 0 H LEU A 54 -3.711 -8.823 11.261 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.031 -7.799 12.711 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.853 -7.252 9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.288 -6.464 10.589 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.521 -6.276 11.815 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.552 -3.961 10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.647 -5.146 9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.109 -4.278 10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.507 -4.482 13.185 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.102 -4.819 12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.301 -6.048 13.478 1.00 0.00 H new ATOM 843 N GLY A 55 -6.195 -10.044 10.372 1.00 0.00 N ATOM 844 CA GLY A 55 -7.096 -10.954 9.689 1.00 0.00 C ATOM 845 C GLY A 55 -7.417 -10.502 8.278 1.00 0.00 C ATOM 846 O GLY A 55 -8.514 -10.748 7.774 1.00 0.00 O ATOM 0 H GLY A 55 -5.204 -10.258 10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.648 -11.947 9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.021 -11.040 10.259 1.00 0.00 H new ATOM 850 N LEU A 56 -6.461 -9.837 7.639 1.00 0.00 N ATOM 851 CA LEU A 56 -6.648 -9.347 6.278 1.00 0.00 C ATOM 852 C LEU A 56 -5.916 -10.233 5.275 1.00 0.00 C ATOM 853 O LEU A 56 -5.218 -11.173 5.656 1.00 0.00 O ATOM 854 CB LEU A 56 -6.150 -7.905 6.161 1.00 0.00 C ATOM 855 CG LEU A 56 -6.960 -6.852 6.918 1.00 0.00 C ATOM 856 CD1 LEU A 56 -6.198 -5.537 6.981 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.319 -6.652 6.263 1.00 0.00 C ATOM 0 H LEU A 56 -5.548 -9.625 8.042 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.714 -9.376 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.120 -7.867 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.133 -7.632 5.106 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.119 -7.206 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.790 -4.799 7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.249 -5.691 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.008 -5.178 5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.882 -5.899 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.182 -6.320 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.868 -7.593 6.270 1.00 0.00 H new ATOM 869 N SER A 57 -6.079 -9.925 3.992 1.00 0.00 N ATOM 870 CA SER A 57 -5.435 -10.694 2.934 1.00 0.00 C ATOM 871 C SER A 57 -4.176 -9.988 2.438 1.00 0.00 C ATOM 872 O SER A 57 -4.172 -8.774 2.239 1.00 0.00 O ATOM 873 CB SER A 57 -6.404 -10.912 1.770 1.00 0.00 C ATOM 874 OG SER A 57 -7.262 -12.011 2.020 1.00 0.00 O ATOM 0 H SER A 57 -6.651 -9.149 3.661 1.00 0.00 H new ATOM 0 HA SER A 57 -5.149 -11.662 3.345 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.998 -10.011 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.842 -11.087 0.853 1.00 0.00 H new ATOM 0 HG SER A 57 -7.872 -12.128 1.262 1.00 0.00 H new ATOM 880 N GLN A 58 -3.111 -10.759 2.242 1.00 0.00 N ATOM 881 CA GLN A 58 -1.847 -10.208 1.770 1.00 0.00 C ATOM 882 C GLN A 58 -2.083 -9.107 0.740 1.00 0.00 C ATOM 883 O GLN A 58 -1.432 -8.062 0.773 1.00 0.00 O ATOM 884 CB GLN A 58 -0.979 -11.312 1.163 1.00 0.00 C ATOM 885 CG GLN A 58 -0.715 -12.469 2.114 1.00 0.00 C ATOM 886 CD GLN A 58 0.163 -13.540 1.499 1.00 0.00 C ATOM 887 OE1 GLN A 58 0.381 -13.560 0.287 1.00 0.00 O ATOM 888 NE2 GLN A 58 0.673 -14.439 2.333 1.00 0.00 N ATOM 0 H GLN A 58 -3.099 -11.766 2.403 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.327 -9.776 2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.466 -11.694 0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.026 -10.884 0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.239 -12.090 3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.665 -12.911 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.466 -14.385 3.330 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.272 -15.184 1.976 1.00 0.00 H new ATOM 897 N LEU A 59 -3.017 -9.349 -0.172 1.00 0.00 N ATOM 898 CA LEU A 59 -3.340 -8.378 -1.213 1.00 0.00 C ATOM 899 C LEU A 59 -3.747 -7.041 -0.602 1.00 0.00 C ATOM 900 O LEU A 59 -3.321 -5.982 -1.064 1.00 0.00 O ATOM 901 CB LEU A 59 -4.465 -8.909 -2.102 1.00 0.00 C ATOM 902 CG LEU A 59 -5.081 -7.905 -3.077 1.00 0.00 C ATOM 903 CD1 LEU A 59 -4.080 -7.528 -4.159 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.350 -8.472 -3.696 1.00 0.00 C ATOM 0 H LEU A 59 -3.564 -10.209 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.448 -8.223 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.080 -9.753 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.257 -9.294 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.343 -7.004 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.536 -6.813 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.199 -7.079 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.786 -8.421 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.775 -7.744 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.113 -9.389 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.073 -8.690 -2.910 1.00 0.00 H new ATOM 916 N GLN A 60 -4.572 -7.098 0.439 1.00 0.00 N ATOM 917 CA GLN A 60 -5.035 -5.891 1.113 1.00 0.00 C ATOM 918 C GLN A 60 -3.880 -4.923 1.350 1.00 0.00 C ATOM 919 O GLN A 60 -3.906 -3.784 0.883 1.00 0.00 O ATOM 920 CB GLN A 60 -5.698 -6.248 2.444 1.00 0.00 C ATOM 921 CG GLN A 60 -6.971 -7.064 2.290 1.00 0.00 C ATOM 922 CD GLN A 60 -8.098 -6.273 1.655 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.999 -5.841 0.507 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.179 -6.079 2.402 1.00 0.00 N ATOM 0 H GLN A 60 -4.933 -7.967 0.833 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.767 -5.403 0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.989 -6.807 3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.928 -5.329 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.762 -7.944 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.290 -7.421 3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.219 -6.455 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.970 -5.554 2.028 1.00 0.00 H new ATOM 933 N VAL A 61 -2.868 -5.383 2.078 1.00 0.00 N ATOM 934 CA VAL A 61 -1.704 -4.558 2.377 1.00 0.00 C ATOM 935 C VAL A 61 -1.068 -4.022 1.099 1.00 0.00 C ATOM 936 O VAL A 61 -0.882 -2.815 0.944 1.00 0.00 O ATOM 937 CB VAL A 61 -0.646 -5.347 3.171 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.596 -4.498 3.398 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.222 -5.827 4.494 1.00 0.00 C ATOM 0 H VAL A 61 -2.831 -6.323 2.472 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.055 -3.723 2.983 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.357 -6.221 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.332 -5.073 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.020 -4.209 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.328 -3.603 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.461 -6.383 5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.541 -4.968 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.078 -6.475 4.305 1.00 0.00 H new ATOM 949 N LYS A 62 -0.737 -4.927 0.184 1.00 0.00 N ATOM 950 CA LYS A 62 -0.124 -4.546 -1.082 1.00 0.00 C ATOM 951 C LYS A 62 -0.860 -3.368 -1.711 1.00 0.00 C ATOM 952 O LYS A 62 -0.309 -2.274 -1.839 1.00 0.00 O ATOM 953 CB LYS A 62 -0.120 -5.733 -2.048 1.00 0.00 C ATOM 954 CG LYS A 62 0.724 -5.505 -3.290 1.00 0.00 C ATOM 955 CD LYS A 62 0.535 -6.619 -4.305 1.00 0.00 C ATOM 956 CE LYS A 62 1.516 -7.758 -4.072 1.00 0.00 C ATOM 957 NZ LYS A 62 1.568 -8.692 -5.230 1.00 0.00 N ATOM 0 H LYS A 62 -0.883 -5.930 0.296 1.00 0.00 H new ATOM 0 HA LYS A 62 0.904 -4.244 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.250 -6.615 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.145 -5.948 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.456 -4.550 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.775 -5.441 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.485 -6.998 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.669 -6.222 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.510 -7.349 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.228 -8.307 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.248 -9.454 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.625 -9.102 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.867 -8.174 -6.081 1.00 0.00 H new ATOM 971 N THR A 63 -2.110 -3.597 -2.102 1.00 0.00 N ATOM 972 CA THR A 63 -2.922 -2.555 -2.717 1.00 0.00 C ATOM 973 C THR A 63 -3.175 -1.409 -1.744 1.00 0.00 C ATOM 974 O THR A 63 -2.779 -0.271 -1.995 1.00 0.00 O ATOM 975 CB THR A 63 -4.275 -3.109 -3.201 1.00 0.00 C ATOM 976 OG1 THR A 63 -4.064 -4.224 -4.074 1.00 0.00 O ATOM 977 CG2 THR A 63 -5.072 -2.035 -3.926 1.00 0.00 C ATOM 0 H THR A 63 -2.582 -4.496 -2.003 1.00 0.00 H new ATOM 0 HA THR A 63 -2.362 -2.183 -3.575 1.00 0.00 H new ATOM 0 HB THR A 63 -4.842 -3.433 -2.329 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.929 -4.571 -4.376 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.023 -2.450 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.257 -1.200 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.508 -1.684 -4.790 1.00 0.00 H new ATOM 985 N TRP A 64 -3.834 -1.716 -0.633 1.00 0.00 N ATOM 986 CA TRP A 64 -4.139 -0.710 0.378 1.00 0.00 C ATOM 987 C TRP A 64 -2.984 0.273 0.532 1.00 0.00 C ATOM 988 O TRP A 64 -3.189 1.487 0.552 1.00 0.00 O ATOM 989 CB TRP A 64 -4.436 -1.381 1.720 1.00 0.00 C ATOM 990 CG TRP A 64 -4.921 -0.425 2.767 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.220 -0.162 3.099 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.114 0.397 3.618 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.269 0.773 4.104 1.00 0.00 N ATOM 994 CE2 TRP A 64 -4.990 1.132 4.441 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.737 0.582 3.766 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.532 2.036 5.395 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.284 1.481 4.713 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.179 2.198 5.518 1.00 0.00 C ATOM 0 H TRP A 64 -4.168 -2.654 -0.409 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.021 -0.158 0.052 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.186 -2.158 1.572 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.533 -1.875 2.079 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.082 -0.622 2.639 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.120 1.141 4.530 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.039 0.032 3.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.220 2.590 6.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.222 1.633 4.835 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.793 2.892 6.250 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.771 -0.257 0.640 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.584 0.575 0.794 1.00 0.00 C ATOM 1011 C TYR A 65 -0.425 1.522 -0.391 1.00 0.00 C ATOM 1012 O TYR A 65 -0.339 2.738 -0.220 1.00 0.00 O ATOM 1013 CB TYR A 65 0.663 -0.300 0.934 1.00 0.00 C ATOM 1014 CG TYR A 65 0.989 -0.666 2.364 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.059 -1.318 3.164 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.228 -0.362 2.914 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.353 -1.654 4.472 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.531 -0.695 4.220 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.590 -1.340 4.995 1.00 0.00 C ATOM 1020 OH TYR A 65 1.886 -1.675 6.297 1.00 0.00 O ATOM 0 H TYR A 65 -1.584 -1.260 0.624 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.704 1.172 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.522 -1.214 0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.514 0.223 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.910 -1.566 2.757 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.967 0.143 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.382 -2.160 5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.499 -0.452 4.632 1.00 0.00 H new ATOM 0 HH TYR A 65 2.797 -1.385 6.510 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.386 0.955 -1.592 1.00 0.00 N ATOM 1031 CA GLN A 66 -0.238 1.748 -2.807 1.00 0.00 C ATOM 1032 C GLN A 66 -1.198 2.933 -2.804 1.00 0.00 C ATOM 1033 O GLN A 66 -0.789 4.076 -3.009 1.00 0.00 O ATOM 1034 CB GLN A 66 -0.484 0.880 -4.042 1.00 0.00 C ATOM 1035 CG GLN A 66 -0.277 1.617 -5.355 1.00 0.00 C ATOM 1036 CD GLN A 66 1.062 2.325 -5.422 1.00 0.00 C ATOM 1037 OE1 GLN A 66 1.208 3.449 -4.941 1.00 0.00 O ATOM 1038 NE2 GLN A 66 2.049 1.669 -6.021 1.00 0.00 N ATOM 0 H GLN A 66 -0.455 -0.050 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 66 0.782 2.130 -2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.183 0.019 -4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.503 0.495 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.351 0.909 -6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.076 2.346 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.884 0.739 -6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.973 2.095 -6.096 1.00 0.00 H new ATOM 1047 N ASN A 67 -2.476 2.653 -2.571 1.00 0.00 N ATOM 1048 CA ASN A 67 -3.494 3.696 -2.542 1.00 0.00 C ATOM 1049 C ASN A 67 -3.146 4.769 -1.515 1.00 0.00 C ATOM 1050 O ASN A 67 -3.638 5.895 -1.587 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.863 3.093 -2.221 1.00 0.00 C ATOM 1052 CG ASN A 67 -5.501 2.432 -3.428 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -5.227 1.146 -3.612 1.00 0.00 O flip ATOM 1054 ND2 ASN A 67 -6.232 3.071 -4.185 1.00 0.00 N flip ATOM 0 H ASN A 67 -2.831 1.712 -2.400 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.530 4.160 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.755 2.359 -1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.523 3.876 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.415 4.058 -4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.655 2.613 -4.993 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.293 4.412 -0.560 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.878 5.343 0.482 1.00 0.00 C ATOM 1063 C ARG A 68 -0.610 6.086 0.073 1.00 0.00 C ATOM 1064 O ARG A 68 -0.486 7.291 0.295 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.645 4.598 1.797 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.918 4.053 2.423 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.783 5.169 2.989 1.00 0.00 C ATOM 1068 NE ARG A 68 -4.704 5.707 1.991 1.00 0.00 N ATOM 1069 CZ ARG A 68 -5.503 6.745 2.212 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -5.494 7.353 3.390 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -6.313 7.176 1.254 1.00 0.00 N ATOM 0 H ARG A 68 -1.876 3.484 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.676 6.072 0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.955 3.773 1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.161 5.271 2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.483 3.497 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.663 3.351 3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.350 4.792 3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.144 5.970 3.362 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.735 5.261 1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.873 7.024 4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.108 8.150 3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.323 6.710 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.926 7.973 1.425 1.00 0.00 H new ATOM 1085 N ARG A 69 0.329 5.360 -0.524 1.00 0.00 N ATOM 1086 CA ARG A 69 1.589 5.950 -0.961 1.00 0.00 C ATOM 1087 C ARG A 69 1.348 7.026 -2.016 1.00 0.00 C ATOM 1088 O ARG A 69 2.083 8.010 -2.092 1.00 0.00 O ATOM 1089 CB ARG A 69 2.515 4.870 -1.523 1.00 0.00 C ATOM 1090 CG ARG A 69 2.979 3.864 -0.481 1.00 0.00 C ATOM 1091 CD ARG A 69 4.269 3.179 -0.904 1.00 0.00 C ATOM 1092 NE ARG A 69 4.422 1.867 -0.283 1.00 0.00 N ATOM 1093 CZ ARG A 69 3.658 0.821 -0.578 1.00 0.00 C ATOM 1094 NH1 ARG A 69 2.695 0.933 -1.482 1.00 0.00 N ATOM 1095 NH2 ARG A 69 3.859 -0.341 0.031 1.00 0.00 N ATOM 0 H ARG A 69 0.241 4.362 -0.716 1.00 0.00 H new ATOM 0 HA ARG A 69 2.064 6.412 -0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.998 4.340 -2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.388 5.347 -1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.130 4.370 0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.202 3.115 -0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.283 3.070 -1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.118 3.808 -0.636 1.00 0.00 H new ATOM 0 HE ARG A 69 5.155 1.747 0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.539 1.824 -1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.110 0.128 -1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.600 -0.431 0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.272 -1.144 -0.196 1.00 0.00 H new ATOM 1109 N MET A 70 0.313 6.832 -2.827 1.00 0.00 N ATOM 1110 CA MET A 70 -0.025 7.786 -3.876 1.00 0.00 C ATOM 1111 C MET A 70 -0.332 9.158 -3.285 1.00 0.00 C ATOM 1112 O MET A 70 0.138 10.181 -3.784 1.00 0.00 O ATOM 1113 CB MET A 70 -1.225 7.286 -4.683 1.00 0.00 C ATOM 1114 CG MET A 70 -2.414 6.891 -3.823 1.00 0.00 C ATOM 1115 SD MET A 70 -3.850 6.409 -4.801 1.00 0.00 S ATOM 1116 CE MET A 70 -4.765 7.949 -4.840 1.00 0.00 C ATOM 0 H MET A 70 -0.306 6.023 -2.778 1.00 0.00 H new ATOM 0 HA MET A 70 0.836 7.879 -4.538 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.534 8.065 -5.380 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.918 6.428 -5.281 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.128 6.064 -3.173 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.683 7.726 -3.177 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.576 7.872 -5.565 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.179 8.151 -3.852 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.098 8.762 -5.127 1.00 0.00 H new ATOM 1126 N LYS A 71 -1.125 9.174 -2.218 1.00 0.00 N ATOM 1127 CA LYS A 71 -1.495 10.420 -1.558 1.00 0.00 C ATOM 1128 C LYS A 71 -0.358 10.926 -0.675 1.00 0.00 C ATOM 1129 O LYS A 71 -0.230 12.128 -0.441 1.00 0.00 O ATOM 1130 CB LYS A 71 -2.757 10.220 -0.716 1.00 0.00 C ATOM 1131 CG LYS A 71 -3.994 9.906 -1.541 1.00 0.00 C ATOM 1132 CD LYS A 71 -5.137 9.416 -0.667 1.00 0.00 C ATOM 1133 CE LYS A 71 -5.886 10.575 -0.027 1.00 0.00 C ATOM 1134 NZ LYS A 71 -5.078 11.241 1.032 1.00 0.00 N ATOM 0 H LYS A 71 -1.524 8.337 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.694 11.165 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.587 9.409 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.940 11.121 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.306 10.798 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.753 9.147 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.827 8.823 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.746 8.760 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.151 11.303 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.819 10.211 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.698 11.515 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.349 10.584 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.622 12.089 0.639 1.00 0.00 H new ATOM 1148 N TRP A 72 0.464 10.003 -0.190 1.00 0.00 N ATOM 1149 CA TRP A 72 1.591 10.357 0.665 1.00 0.00 C ATOM 1150 C TRP A 72 2.691 11.041 -0.139 1.00 0.00 C ATOM 1151 O TRP A 72 3.272 12.032 0.304 1.00 0.00 O ATOM 1152 CB TRP A 72 2.146 9.109 1.354 1.00 0.00 C ATOM 1153 CG TRP A 72 3.593 9.231 1.727 1.00 0.00 C ATOM 1154 CD1 TRP A 72 4.111 9.929 2.780 1.00 0.00 C ATOM 1155 CD2 TRP A 72 4.706 8.639 1.048 1.00 0.00 C ATOM 1156 NE1 TRP A 72 5.480 9.807 2.797 1.00 0.00 N ATOM 1157 CE2 TRP A 72 5.869 9.020 1.745 1.00 0.00 C ATOM 1158 CE3 TRP A 72 4.833 7.824 -0.080 1.00 0.00 C ATOM 1159 CZ2 TRP A 72 7.141 8.613 1.349 1.00 0.00 C ATOM 1160 CZ3 TRP A 72 6.096 7.421 -0.471 1.00 0.00 C ATOM 1161 CH2 TRP A 72 7.236 7.815 0.242 1.00 0.00 C ATOM 0 H TRP A 72 0.371 9.004 -0.374 1.00 0.00 H new ATOM 0 HA TRP A 72 1.235 11.054 1.423 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.562 8.909 2.252 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.019 8.251 0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.530 10.494 3.494 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.105 10.233 3.481 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.960 7.515 -0.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.021 8.917 1.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 6.206 6.791 -1.341 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.209 7.482 -0.089 1.00 0.00 H new ATOM 1172 N LYS A 73 2.972 10.507 -1.322 1.00 0.00 N ATOM 1173 CA LYS A 73 4.002 11.067 -2.190 1.00 0.00 C ATOM 1174 C LYS A 73 3.704 12.527 -2.514 1.00 0.00 C ATOM 1175 O LYS A 73 4.603 13.369 -2.520 1.00 0.00 O ATOM 1176 CB LYS A 73 4.104 10.256 -3.484 1.00 0.00 C ATOM 1177 CG LYS A 73 5.056 9.077 -3.389 1.00 0.00 C ATOM 1178 CD LYS A 73 4.847 8.098 -4.532 1.00 0.00 C ATOM 1179 CE LYS A 73 5.543 6.773 -4.266 1.00 0.00 C ATOM 1180 NZ LYS A 73 5.697 5.968 -5.510 1.00 0.00 N ATOM 0 H LYS A 73 2.501 9.686 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 73 4.954 11.017 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.113 9.891 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.432 10.913 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.085 9.437 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.908 8.565 -2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.780 7.927 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.228 8.531 -5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.525 6.959 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.972 6.203 -3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.176 5.072 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.759 5.768 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.264 6.501 -6.200 1.00 0.00 H new ATOM 1194 N LYS A 74 2.437 12.823 -2.783 1.00 0.00 N ATOM 1195 CA LYS A 74 2.019 14.182 -3.106 1.00 0.00 C ATOM 1196 C LYS A 74 1.382 14.857 -1.896 1.00 0.00 C ATOM 1197 O LYS A 74 0.174 14.761 -1.684 1.00 0.00 O ATOM 1198 CB LYS A 74 1.032 14.170 -4.275 1.00 0.00 C ATOM 1199 CG LYS A 74 0.708 15.553 -4.812 1.00 0.00 C ATOM 1200 CD LYS A 74 -0.221 15.482 -6.012 1.00 0.00 C ATOM 1201 CE LYS A 74 0.542 15.162 -7.289 1.00 0.00 C ATOM 1202 NZ LYS A 74 1.465 16.265 -7.675 1.00 0.00 N ATOM 0 H LYS A 74 1.681 12.139 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 74 2.905 14.749 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.444 13.564 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.108 13.688 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.244 16.150 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.631 16.060 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.981 14.720 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.742 16.432 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.112 14.243 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.165 14.980 -8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.664 16.210 -8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.022 17.180 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.354 16.176 -7.143 1.00 0.00 H new ATOM 1216 N SER A 75 2.203 15.542 -1.106 1.00 0.00 N ATOM 1217 CA SER A 75 1.720 16.232 0.085 1.00 0.00 C ATOM 1218 C SER A 75 1.203 17.624 -0.266 1.00 0.00 C ATOM 1219 O SER A 75 1.936 18.608 -0.188 1.00 0.00 O ATOM 1220 CB SER A 75 2.835 16.337 1.127 1.00 0.00 C ATOM 1221 OG SER A 75 2.482 17.238 2.163 1.00 0.00 O ATOM 0 H SER A 75 3.206 15.634 -1.269 1.00 0.00 H new ATOM 0 HA SER A 75 0.897 15.652 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.036 15.353 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.755 16.672 0.647 1.00 0.00 H new ATOM 0 HG SER A 75 3.210 17.286 2.817 1.00 0.00 H new ATOM 1227 N GLY A 76 -0.067 17.696 -0.653 1.00 0.00 N ATOM 1228 CA GLY A 76 -0.661 18.971 -1.011 1.00 0.00 C ATOM 1229 C GLY A 76 -0.697 19.941 0.153 1.00 0.00 C ATOM 1230 O GLY A 76 -0.682 19.546 1.319 1.00 0.00 O ATOM 0 H GLY A 76 -0.695 16.895 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.096 19.414 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.675 18.806 -1.374 1.00 0.00 H new ATOM 1234 N PRO A 77 -0.744 21.245 -0.159 1.00 0.00 N ATOM 1235 CA PRO A 77 -0.781 22.301 0.856 1.00 0.00 C ATOM 1236 C PRO A 77 -2.106 22.334 1.610 1.00 0.00 C ATOM 1237 O PRO A 77 -2.164 22.757 2.765 1.00 0.00 O ATOM 1238 CB PRO A 77 -0.598 23.584 0.041 1.00 0.00 C ATOM 1239 CG PRO A 77 -1.094 23.240 -1.321 1.00 0.00 C ATOM 1240 CD PRO A 77 -0.764 21.788 -1.528 1.00 0.00 C ATOM 0 HA PRO A 77 -0.021 22.155 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.163 24.411 0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.447 23.892 0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.168 23.411 -1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.616 23.861 -2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.511 21.290 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.198 21.661 -2.025 1.00 0.00 H new ATOM 1248 N SER A 78 -3.168 21.884 0.950 1.00 0.00 N ATOM 1249 CA SER A 78 -4.494 21.865 1.558 1.00 0.00 C ATOM 1250 C SER A 78 -4.702 20.589 2.368 1.00 0.00 C ATOM 1251 O SER A 78 -4.252 19.512 1.977 1.00 0.00 O ATOM 1252 CB SER A 78 -5.574 21.981 0.480 1.00 0.00 C ATOM 1253 OG SER A 78 -5.349 23.109 -0.348 1.00 0.00 O ATOM 0 H SER A 78 -3.137 21.528 -0.005 1.00 0.00 H new ATOM 0 HA SER A 78 -4.570 22.718 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.584 21.076 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.554 22.061 0.950 1.00 0.00 H new ATOM 0 HG SER A 78 -6.051 23.160 -1.029 1.00 0.00 H new ATOM 1259 N SER A 79 -5.388 20.719 3.499 1.00 0.00 N ATOM 1260 CA SER A 79 -5.654 19.578 4.367 1.00 0.00 C ATOM 1261 C SER A 79 -7.148 19.277 4.427 1.00 0.00 C ATOM 1262 O SER A 79 -7.979 20.181 4.340 1.00 0.00 O ATOM 1263 CB SER A 79 -5.119 19.845 5.775 1.00 0.00 C ATOM 1264 OG SER A 79 -3.704 19.771 5.805 1.00 0.00 O ATOM 0 H SER A 79 -5.770 21.603 3.836 1.00 0.00 H new ATOM 0 HA SER A 79 -5.143 18.710 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.442 20.831 6.109 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.539 19.119 6.471 1.00 0.00 H new ATOM 0 HG SER A 79 -3.386 19.947 6.715 1.00 0.00 H new ATOM 1270 N GLY A 80 -7.483 17.999 4.577 1.00 0.00 N ATOM 1271 CA GLY A 80 -8.877 17.601 4.647 1.00 0.00 C ATOM 1272 C GLY A 80 -9.533 17.545 3.281 1.00 0.00 C ATOM 1273 O GLY A 80 -8.999 18.074 2.307 1.00 0.00 O ATOM 0 H GLY A 80 -6.814 17.232 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.949 16.622 5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.421 18.303 5.279 1.00 0.00 H new TER 1277 GLY A 80