USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 452 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 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 52 CYS SG : rot 180:sc= -0.266 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0753 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0476 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 5 SER OG : rot 48:sc= 0.00196 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc=-0.00672 X(o=-0.0067,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.505 F(o=-1.6,f=-0.51) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -172:sc= 1.02 USER MOD Single : A 43 THR OG1 : rot -120:sc= 0.037 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.8!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 173:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -4:sc= 0.18 USER MOD Single : A 63 SER OG : rot -146:sc= 0.241 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLY A 1 3.551 -0.311 -0.997 1.00 0.00 C ATOM 4 O GLY A 1 3.909 -0.844 0.052 1.00 0.00 O ATOM 0 H1 GLY A 1 0.400 -0.452 -0.151 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.854 -0.528 0.723 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.184 0.979 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.652 -0.739 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.979 0.972 -1.730 1.00 0.00 H new ATOM 8 N SER A 2 4.368 0.034 -1.981 1.00 0.00 N ATOM 9 CA SER A 2 5.799 -0.202 -1.883 1.00 0.00 C ATOM 10 C SER A 2 6.500 0.298 -3.147 1.00 0.00 C ATOM 11 O SER A 2 5.859 0.501 -4.177 1.00 0.00 O ATOM 12 CB SER A 2 6.098 -1.686 -1.662 1.00 0.00 C ATOM 13 OG SER A 2 7.493 -1.931 -1.499 1.00 0.00 O ATOM 0 H SER A 2 4.067 0.475 -2.850 1.00 0.00 H new ATOM 0 HA SER A 2 6.178 0.350 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.563 -2.036 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.725 -2.261 -2.510 1.00 0.00 H new ATOM 0 HG SER A 2 7.643 -2.889 -1.359 1.00 0.00 H new ATOM 19 N SER A 3 7.806 0.483 -3.027 1.00 0.00 N ATOM 20 CA SER A 3 8.601 0.956 -4.148 1.00 0.00 C ATOM 21 C SER A 3 9.742 -0.024 -4.430 1.00 0.00 C ATOM 22 O SER A 3 9.846 -0.560 -5.532 1.00 0.00 O ATOM 23 CB SER A 3 9.158 2.355 -3.877 1.00 0.00 C ATOM 24 OG SER A 3 9.894 2.410 -2.658 1.00 0.00 O ATOM 0 H SER A 3 8.334 0.314 -2.171 1.00 0.00 H new ATOM 0 HA SER A 3 7.956 1.015 -5.024 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.802 2.655 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.337 3.071 -3.837 1.00 0.00 H new ATOM 0 HG SER A 3 10.234 3.319 -2.522 1.00 0.00 H new ATOM 30 N GLY A 4 10.570 -0.227 -3.416 1.00 0.00 N ATOM 31 CA GLY A 4 11.699 -1.133 -3.542 1.00 0.00 C ATOM 32 C GLY A 4 13.010 -0.427 -3.188 1.00 0.00 C ATOM 33 O GLY A 4 13.081 0.801 -3.202 1.00 0.00 O ATOM 0 H GLY A 4 10.482 0.220 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.556 -1.992 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.751 -1.515 -4.561 1.00 0.00 H new ATOM 37 N SER A 5 14.014 -1.234 -2.879 1.00 0.00 N ATOM 38 CA SER A 5 15.319 -0.702 -2.522 1.00 0.00 C ATOM 39 C SER A 5 16.372 -1.810 -2.590 1.00 0.00 C ATOM 40 O SER A 5 16.227 -2.848 -1.946 1.00 0.00 O ATOM 41 CB SER A 5 15.295 -0.075 -1.127 1.00 0.00 C ATOM 42 OG SER A 5 15.429 1.342 -1.175 1.00 0.00 O ATOM 0 H SER A 5 13.951 -2.252 -2.868 1.00 0.00 H new ATOM 0 HA SER A 5 15.578 0.079 -3.237 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.360 -0.334 -0.630 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.102 -0.495 -0.527 1.00 0.00 H new ATOM 0 HG SER A 5 14.807 1.707 -1.839 1.00 0.00 H new ATOM 48 N SER A 6 17.408 -1.551 -3.374 1.00 0.00 N ATOM 49 CA SER A 6 18.484 -2.513 -3.533 1.00 0.00 C ATOM 50 C SER A 6 19.613 -1.902 -4.366 1.00 0.00 C ATOM 51 O SER A 6 19.368 -1.058 -5.226 1.00 0.00 O ATOM 52 CB SER A 6 17.980 -3.801 -4.187 1.00 0.00 C ATOM 53 OG SER A 6 18.124 -4.928 -3.327 1.00 0.00 O ATOM 0 H SER A 6 17.525 -0.689 -3.906 1.00 0.00 H new ATOM 0 HA SER A 6 18.866 -2.765 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.931 -3.683 -4.458 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.530 -3.978 -5.111 1.00 0.00 H new ATOM 0 HG SER A 6 17.790 -5.730 -3.780 1.00 0.00 H new ATOM 59 N GLY A 7 20.826 -2.353 -4.082 1.00 0.00 N ATOM 60 CA GLY A 7 21.993 -1.862 -4.794 1.00 0.00 C ATOM 61 C GLY A 7 21.923 -2.226 -6.279 1.00 0.00 C ATOM 62 O GLY A 7 20.844 -2.233 -6.870 1.00 0.00 O ATOM 0 H GLY A 7 21.026 -3.054 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.062 -0.780 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.896 -2.285 -4.354 1.00 0.00 H new ATOM 66 N ARG A 8 23.087 -2.518 -6.839 1.00 0.00 N ATOM 67 CA ARG A 8 23.172 -2.882 -8.244 1.00 0.00 C ATOM 68 C ARG A 8 24.614 -3.231 -8.616 1.00 0.00 C ATOM 69 O ARG A 8 24.884 -4.327 -9.106 1.00 0.00 O ATOM 70 CB ARG A 8 22.684 -1.741 -9.138 1.00 0.00 C ATOM 71 CG ARG A 8 21.770 -2.266 -10.248 1.00 0.00 C ATOM 72 CD ARG A 8 21.084 -1.114 -10.984 1.00 0.00 C ATOM 73 NE ARG A 8 20.368 -1.628 -12.173 1.00 0.00 N ATOM 74 CZ ARG A 8 20.949 -1.855 -13.360 1.00 0.00 C ATOM 75 NH1 ARG A 8 22.257 -1.613 -13.522 1.00 0.00 N ATOM 76 NH2 ARG A 8 20.221 -2.322 -14.383 1.00 0.00 N ATOM 0 H ARG A 8 23.980 -2.510 -6.346 1.00 0.00 H new ATOM 0 HA ARG A 8 22.533 -3.751 -8.401 1.00 0.00 H new ATOM 0 HB2 ARG A 8 22.147 -1.007 -8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 8 23.539 -1.228 -9.578 1.00 0.00 H new ATOM 0 HG2 ARG A 8 22.353 -2.858 -10.954 1.00 0.00 H new ATOM 0 HG3 ARG A 8 21.017 -2.929 -9.821 1.00 0.00 H new ATOM 0 HD2 ARG A 8 20.384 -0.611 -10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.824 -0.373 -11.287 1.00 0.00 H new ATOM 0 HE ARG A 8 19.371 -1.822 -12.084 1.00 0.00 H new ATOM 0 HH11 ARG A 8 22.810 -1.256 -12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.700 -1.785 -14.425 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.225 -2.505 -14.259 1.00 0.00 H new ATOM 0 HH22 ARG A 8 20.662 -2.495 -15.286 1.00 0.00 H new ATOM 90 N ASN A 9 25.502 -2.280 -8.369 1.00 0.00 N ATOM 91 CA ASN A 9 26.910 -2.473 -8.672 1.00 0.00 C ATOM 92 C ASN A 9 27.512 -3.461 -7.670 1.00 0.00 C ATOM 93 O ASN A 9 27.644 -3.149 -6.488 1.00 0.00 O ATOM 94 CB ASN A 9 27.683 -1.158 -8.561 1.00 0.00 C ATOM 95 CG ASN A 9 28.531 -0.913 -9.811 1.00 0.00 C ATOM 96 OD1 ASN A 9 28.047 -0.481 -10.845 1.00 0.00 O ATOM 97 ND2 ASN A 9 29.818 -1.211 -9.660 1.00 0.00 N ATOM 0 H ASN A 9 25.274 -1.373 -7.962 1.00 0.00 H new ATOM 0 HA ASN A 9 26.986 -2.851 -9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 9 26.985 -0.332 -8.423 1.00 0.00 H new ATOM 0 HB3 ASN A 9 28.325 -1.183 -7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 9 30.466 -1.082 -10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 9 30.157 -1.569 -8.767 1.00 0.00 H new ATOM 104 N ARG A 10 27.861 -4.633 -8.180 1.00 0.00 N ATOM 105 CA ARG A 10 28.445 -5.669 -7.345 1.00 0.00 C ATOM 106 C ARG A 10 28.819 -6.886 -8.193 1.00 0.00 C ATOM 107 O ARG A 10 28.010 -7.797 -8.369 1.00 0.00 O ATOM 108 CB ARG A 10 27.475 -6.101 -6.244 1.00 0.00 C ATOM 109 CG ARG A 10 27.891 -5.524 -4.889 1.00 0.00 C ATOM 110 CD ARG A 10 27.436 -6.431 -3.744 1.00 0.00 C ATOM 111 NE ARG A 10 27.574 -5.723 -2.452 1.00 0.00 N ATOM 112 CZ ARG A 10 27.104 -6.187 -1.286 1.00 0.00 C ATOM 113 NH1 ARG A 10 26.461 -7.362 -1.244 1.00 0.00 N ATOM 114 NH2 ARG A 10 27.276 -5.476 -0.164 1.00 0.00 N ATOM 0 H ARG A 10 27.751 -4.888 -9.161 1.00 0.00 H new ATOM 0 HA ARG A 10 29.341 -5.256 -6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 10 26.467 -5.768 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 10 27.446 -7.189 -6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 10 28.974 -5.407 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 10 27.459 -4.531 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.399 -6.729 -3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 10 28.032 -7.344 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 10 28.058 -4.825 -2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 10 26.330 -7.902 -2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 10 26.103 -7.716 -0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 10 27.765 -4.581 -0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 10 26.918 -5.829 0.723 1.00 0.00 H new ATOM 128 N GLN A 11 30.044 -6.864 -8.696 1.00 0.00 N ATOM 129 CA GLN A 11 30.535 -7.954 -9.521 1.00 0.00 C ATOM 130 C GLN A 11 32.061 -8.031 -9.446 1.00 0.00 C ATOM 131 O GLN A 11 32.709 -7.116 -8.941 1.00 0.00 O ATOM 132 CB GLN A 11 30.064 -7.802 -10.969 1.00 0.00 C ATOM 133 CG GLN A 11 28.955 -8.805 -11.293 1.00 0.00 C ATOM 134 CD GLN A 11 29.529 -10.068 -11.938 1.00 0.00 C ATOM 135 OE1 GLN A 11 29.949 -10.075 -13.083 1.00 0.00 O ATOM 136 NE2 GLN A 11 29.524 -11.132 -11.141 1.00 0.00 N ATOM 0 H GLN A 11 30.712 -6.107 -8.548 1.00 0.00 H new ATOM 0 HA GLN A 11 30.124 -8.888 -9.136 1.00 0.00 H new ATOM 0 HB2 GLN A 11 29.701 -6.787 -11.132 1.00 0.00 H new ATOM 0 HB3 GLN A 11 30.905 -7.953 -11.646 1.00 0.00 H new ATOM 0 HG2 GLN A 11 28.421 -9.069 -10.380 1.00 0.00 H new ATOM 0 HG3 GLN A 11 28.230 -8.346 -11.965 1.00 0.00 H new ATOM 0 HE21 GLN A 11 29.157 -11.057 -10.192 1.00 0.00 H new ATOM 0 HE22 GLN A 11 29.887 -12.024 -11.478 1.00 0.00 H new ATOM 145 N GLN A 12 32.592 -9.133 -9.957 1.00 0.00 N ATOM 146 CA GLN A 12 34.030 -9.341 -9.955 1.00 0.00 C ATOM 147 C GLN A 12 34.754 -8.050 -10.341 1.00 0.00 C ATOM 148 O GLN A 12 35.525 -7.506 -9.551 1.00 0.00 O ATOM 149 CB GLN A 12 34.419 -10.488 -10.890 1.00 0.00 C ATOM 150 CG GLN A 12 35.378 -11.458 -10.197 1.00 0.00 C ATOM 151 CD GLN A 12 35.684 -12.660 -11.093 1.00 0.00 C ATOM 152 OE1 GLN A 12 35.791 -12.553 -12.303 1.00 0.00 O ATOM 153 NE2 GLN A 12 35.818 -13.807 -10.433 1.00 0.00 N ATOM 0 H GLN A 12 32.052 -9.891 -10.375 1.00 0.00 H new ATOM 0 HA GLN A 12 34.336 -9.618 -8.946 1.00 0.00 H new ATOM 0 HB2 GLN A 12 33.524 -11.022 -11.209 1.00 0.00 H new ATOM 0 HB3 GLN A 12 34.888 -10.087 -11.788 1.00 0.00 H new ATOM 0 HG2 GLN A 12 36.305 -10.942 -9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 12 34.940 -11.801 -9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 12 35.716 -13.826 -9.418 1.00 0.00 H new ATOM 0 HE22 GLN A 12 36.023 -14.667 -10.942 1.00 0.00 H new ATOM 162 N ARG A 13 34.481 -7.595 -11.555 1.00 0.00 N ATOM 163 CA ARG A 13 35.096 -6.378 -12.055 1.00 0.00 C ATOM 164 C ARG A 13 34.042 -5.283 -12.229 1.00 0.00 C ATOM 165 O ARG A 13 32.883 -5.572 -12.520 1.00 0.00 O ATOM 166 CB ARG A 13 35.793 -6.623 -13.394 1.00 0.00 C ATOM 167 CG ARG A 13 37.304 -6.773 -13.207 1.00 0.00 C ATOM 168 CD ARG A 13 37.879 -7.796 -14.189 1.00 0.00 C ATOM 169 NE ARG A 13 39.037 -8.488 -13.579 1.00 0.00 N ATOM 170 CZ ARG A 13 39.946 -9.186 -14.274 1.00 0.00 C ATOM 171 NH1 ARG A 13 39.837 -9.289 -15.605 1.00 0.00 N ATOM 172 NH2 ARG A 13 40.964 -9.780 -13.636 1.00 0.00 N ATOM 0 H ARG A 13 33.841 -8.048 -12.207 1.00 0.00 H new ATOM 0 HA ARG A 13 35.839 -6.058 -11.325 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.390 -7.523 -13.859 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.587 -5.795 -14.072 1.00 0.00 H new ATOM 0 HG2 ARG A 13 37.790 -5.809 -13.355 1.00 0.00 H new ATOM 0 HG3 ARG A 13 37.518 -7.084 -12.185 1.00 0.00 H new ATOM 0 HD2 ARG A 13 37.113 -8.522 -14.461 1.00 0.00 H new ATOM 0 HD3 ARG A 13 38.186 -7.297 -15.108 1.00 0.00 H new ATOM 0 HE ARG A 13 39.150 -8.430 -12.567 1.00 0.00 H new ATOM 0 HH11 ARG A 13 39.062 -8.836 -16.090 1.00 0.00 H new ATOM 0 HH12 ARG A 13 40.529 -9.820 -16.134 1.00 0.00 H new ATOM 0 HH21 ARG A 13 41.046 -9.701 -12.622 1.00 0.00 H new ATOM 0 HH22 ARG A 13 41.656 -10.311 -14.164 1.00 0.00 H new ATOM 186 N PRO A 14 34.494 -4.014 -12.037 1.00 0.00 N ATOM 187 CA PRO A 14 33.603 -2.874 -12.170 1.00 0.00 C ATOM 188 C PRO A 14 33.302 -2.582 -13.642 1.00 0.00 C ATOM 189 O PRO A 14 32.140 -2.516 -14.040 1.00 0.00 O ATOM 190 CB PRO A 14 34.321 -1.731 -11.472 1.00 0.00 C ATOM 191 CG PRO A 14 35.780 -2.147 -11.382 1.00 0.00 C ATOM 192 CD PRO A 14 35.860 -3.633 -11.691 1.00 0.00 C ATOM 0 HA PRO A 14 32.626 -3.048 -11.719 1.00 0.00 H new ATOM 0 HB2 PRO A 14 34.214 -0.802 -12.033 1.00 0.00 H new ATOM 0 HB3 PRO A 14 33.903 -1.555 -10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 14 36.384 -1.577 -12.088 1.00 0.00 H new ATOM 0 HG3 PRO A 14 36.175 -1.942 -10.387 1.00 0.00 H new ATOM 0 HD2 PRO A 14 36.547 -3.830 -12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 14 36.223 -4.197 -10.832 1.00 0.00 H new ATOM 200 N GLY A 15 34.369 -2.415 -14.409 1.00 0.00 N ATOM 201 CA GLY A 15 34.234 -2.131 -15.827 1.00 0.00 C ATOM 202 C GLY A 15 33.801 -0.682 -16.058 1.00 0.00 C ATOM 203 O GLY A 15 34.349 0.238 -15.451 1.00 0.00 O ATOM 0 H GLY A 15 35.331 -2.471 -14.075 1.00 0.00 H new ATOM 0 HA2 GLY A 15 35.183 -2.315 -16.330 1.00 0.00 H new ATOM 0 HA3 GLY A 15 33.502 -2.808 -16.269 1.00 0.00 H new ATOM 207 N THR A 16 32.823 -0.523 -16.937 1.00 0.00 N ATOM 208 CA THR A 16 32.310 0.799 -17.255 1.00 0.00 C ATOM 209 C THR A 16 30.794 0.749 -17.456 1.00 0.00 C ATOM 210 O THR A 16 30.282 -0.145 -18.128 1.00 0.00 O ATOM 211 CB THR A 16 33.068 1.318 -18.478 1.00 0.00 C ATOM 212 OG1 THR A 16 32.626 2.666 -18.614 1.00 0.00 O ATOM 213 CG2 THR A 16 32.617 0.646 -19.776 1.00 0.00 C ATOM 0 H THR A 16 32.372 -1.288 -17.439 1.00 0.00 H new ATOM 0 HA THR A 16 32.474 1.495 -16.433 1.00 0.00 H new ATOM 0 HB THR A 16 34.137 1.156 -18.338 1.00 0.00 H new ATOM 0 HG1 THR A 16 33.070 3.080 -19.384 1.00 0.00 H new ATOM 0 HG21 THR A 16 33.187 1.051 -20.612 1.00 0.00 H new ATOM 0 HG22 THR A 16 32.787 -0.428 -19.708 1.00 0.00 H new ATOM 0 HG23 THR A 16 31.555 0.836 -19.934 1.00 0.00 H new ATOM 221 N ILE A 17 30.118 1.720 -16.860 1.00 0.00 N ATOM 222 CA ILE A 17 28.671 1.798 -16.965 1.00 0.00 C ATOM 223 C ILE A 17 28.293 2.938 -17.913 1.00 0.00 C ATOM 224 O ILE A 17 27.279 2.864 -18.605 1.00 0.00 O ATOM 225 CB ILE A 17 28.039 1.919 -15.577 1.00 0.00 C ATOM 226 CG1 ILE A 17 28.563 3.153 -14.840 1.00 0.00 C ATOM 227 CG2 ILE A 17 28.246 0.637 -14.767 1.00 0.00 C ATOM 228 CD1 ILE A 17 27.639 3.534 -13.682 1.00 0.00 C ATOM 0 H ILE A 17 30.546 2.459 -16.303 1.00 0.00 H new ATOM 0 HA ILE A 17 28.271 0.879 -17.394 1.00 0.00 H new ATOM 0 HB ILE A 17 26.964 2.052 -15.702 1.00 0.00 H new ATOM 0 HG12 ILE A 17 29.565 2.956 -14.460 1.00 0.00 H new ATOM 0 HG13 ILE A 17 28.644 3.989 -15.535 1.00 0.00 H new ATOM 0 HG21 ILE A 17 27.787 0.749 -13.785 1.00 0.00 H new ATOM 0 HG22 ILE A 17 27.785 -0.202 -15.289 1.00 0.00 H new ATOM 0 HG23 ILE A 17 29.313 0.449 -14.650 1.00 0.00 H new ATOM 0 HD11 ILE A 17 28.035 4.414 -13.175 1.00 0.00 H new ATOM 0 HD12 ILE A 17 26.644 3.754 -14.068 1.00 0.00 H new ATOM 0 HD13 ILE A 17 27.579 2.705 -12.976 1.00 0.00 H new ATOM 240 N LYS A 18 29.130 3.966 -17.915 1.00 0.00 N ATOM 241 CA LYS A 18 28.897 5.119 -18.767 1.00 0.00 C ATOM 242 C LYS A 18 30.222 5.567 -19.387 1.00 0.00 C ATOM 243 O LYS A 18 31.290 5.131 -18.958 1.00 0.00 O ATOM 244 CB LYS A 18 28.178 6.223 -17.989 1.00 0.00 C ATOM 245 CG LYS A 18 29.124 6.898 -16.994 1.00 0.00 C ATOM 246 CD LYS A 18 28.348 7.769 -16.004 1.00 0.00 C ATOM 247 CE LYS A 18 28.305 9.225 -16.472 1.00 0.00 C ATOM 248 NZ LYS A 18 29.218 10.059 -15.658 1.00 0.00 N ATOM 0 H LYS A 18 29.970 4.024 -17.340 1.00 0.00 H new ATOM 0 HA LYS A 18 28.233 4.856 -19.590 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.785 6.965 -18.684 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.325 5.801 -17.457 1.00 0.00 H new ATOM 0 HG2 LYS A 18 29.689 6.140 -16.452 1.00 0.00 H new ATOM 0 HG3 LYS A 18 29.848 7.510 -17.533 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.333 7.388 -15.897 1.00 0.00 H new ATOM 0 HD3 LYS A 18 28.815 7.713 -15.021 1.00 0.00 H new ATOM 0 HE2 LYS A 18 28.589 9.284 -17.523 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.287 9.608 -16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 29.176 11.044 -15.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.929 10.017 -14.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 30.191 9.703 -15.753 1.00 0.00 H new ATOM 262 N HIS A 19 30.110 6.431 -20.385 1.00 0.00 N ATOM 263 CA HIS A 19 31.287 6.942 -21.067 1.00 0.00 C ATOM 264 C HIS A 19 31.205 8.467 -21.158 1.00 0.00 C ATOM 265 O HIS A 19 30.374 9.006 -21.886 1.00 0.00 O ATOM 266 CB HIS A 19 31.454 6.275 -22.434 1.00 0.00 C ATOM 267 CG HIS A 19 32.689 6.714 -23.184 1.00 0.00 C ATOM 268 ND1 HIS A 19 33.280 7.938 -23.289 1.00 0.00 N flip ATOM 269 CD2 HIS A 19 33.457 5.843 -23.938 1.00 0.00 C flip ATOM 270 CE1 HIS A 19 34.352 7.822 -24.064 1.00 0.00 C flip ATOM 271 NE2 HIS A 19 34.463 6.524 -24.467 1.00 0.00 N flip ATOM 0 H HIS A 19 29.223 6.790 -20.738 1.00 0.00 H new ATOM 0 HA HIS A 19 32.181 6.694 -20.494 1.00 0.00 H new ATOM 0 HB2 HIS A 19 31.489 5.194 -22.298 1.00 0.00 H new ATOM 0 HB3 HIS A 19 30.576 6.491 -23.042 1.00 0.00 H new ATOM 0 HD2 HIS A 19 33.268 4.788 -24.072 1.00 0.00 H new ATOM 0 HE1 HIS A 19 35.025 8.623 -24.331 1.00 0.00 H new ATOM 0 HE2 HIS A 19 35.193 6.144 -25.070 1.00 0.00 H new ATOM 279 N GLY A 20 32.081 9.120 -20.407 1.00 0.00 N ATOM 280 CA GLY A 20 32.119 10.572 -20.393 1.00 0.00 C ATOM 281 C GLY A 20 33.380 11.094 -21.084 1.00 0.00 C ATOM 282 O GLY A 20 34.388 10.393 -21.157 1.00 0.00 O ATOM 0 H GLY A 20 32.770 8.670 -19.804 1.00 0.00 H new ATOM 0 HA2 GLY A 20 31.235 10.967 -20.894 1.00 0.00 H new ATOM 0 HA3 GLY A 20 32.089 10.930 -19.364 1.00 0.00 H new ATOM 286 N SER A 21 33.283 12.322 -21.573 1.00 0.00 N ATOM 287 CA SER A 21 34.403 12.946 -22.256 1.00 0.00 C ATOM 288 C SER A 21 35.559 13.160 -21.276 1.00 0.00 C ATOM 289 O SER A 21 35.336 13.376 -20.086 1.00 0.00 O ATOM 290 CB SER A 21 33.991 14.276 -22.889 1.00 0.00 C ATOM 291 OG SER A 21 33.496 14.105 -24.215 1.00 0.00 O ATOM 0 H SER A 21 32.446 12.901 -21.510 1.00 0.00 H new ATOM 0 HA SER A 21 34.730 12.281 -23.055 1.00 0.00 H new ATOM 0 HB2 SER A 21 33.225 14.748 -22.274 1.00 0.00 H new ATOM 0 HB3 SER A 21 34.847 14.950 -22.906 1.00 0.00 H new ATOM 0 HG SER A 21 33.242 14.976 -24.584 1.00 0.00 H new ATOM 297 N ALA A 22 36.768 13.094 -21.813 1.00 0.00 N ATOM 298 CA ALA A 22 37.959 13.278 -21.002 1.00 0.00 C ATOM 299 C ALA A 22 37.741 14.450 -20.043 1.00 0.00 C ATOM 300 O ALA A 22 38.276 14.459 -18.935 1.00 0.00 O ATOM 301 CB ALA A 22 39.171 13.488 -21.912 1.00 0.00 C ATOM 0 H ALA A 22 36.949 12.915 -22.801 1.00 0.00 H new ATOM 0 HA ALA A 22 38.154 12.390 -20.400 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.064 13.626 -21.302 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.300 12.616 -22.553 1.00 0.00 H new ATOM 0 HB3 ALA A 22 39.013 14.372 -22.530 1.00 0.00 H new ATOM 307 N LEU A 23 36.954 15.411 -20.503 1.00 0.00 N ATOM 308 CA LEU A 23 36.658 16.586 -19.700 1.00 0.00 C ATOM 309 C LEU A 23 35.599 16.230 -18.654 1.00 0.00 C ATOM 310 O LEU A 23 35.796 16.462 -17.463 1.00 0.00 O ATOM 311 CB LEU A 23 36.267 17.763 -20.596 1.00 0.00 C ATOM 312 CG LEU A 23 35.396 18.840 -19.946 1.00 0.00 C ATOM 313 CD1 LEU A 23 36.088 19.439 -18.720 1.00 0.00 C ATOM 314 CD2 LEU A 23 35.000 19.912 -20.962 1.00 0.00 C ATOM 0 H LEU A 23 36.512 15.400 -21.422 1.00 0.00 H new ATOM 0 HA LEU A 23 37.546 16.910 -19.157 1.00 0.00 H new ATOM 0 HB2 LEU A 23 37.179 18.234 -20.962 1.00 0.00 H new ATOM 0 HB3 LEU A 23 35.739 17.372 -21.466 1.00 0.00 H new ATOM 0 HG LEU A 23 34.476 18.371 -19.598 1.00 0.00 H new ATOM 0 HD11 LEU A 23 35.448 20.202 -18.277 1.00 0.00 H new ATOM 0 HD12 LEU A 23 36.276 18.653 -17.988 1.00 0.00 H new ATOM 0 HD13 LEU A 23 37.034 19.889 -19.020 1.00 0.00 H new ATOM 0 HD21 LEU A 23 34.381 20.665 -20.474 1.00 0.00 H new ATOM 0 HD22 LEU A 23 35.898 20.383 -21.362 1.00 0.00 H new ATOM 0 HD23 LEU A 23 34.438 19.453 -21.775 1.00 0.00 H new ATOM 326 N ASP A 24 34.499 15.672 -19.139 1.00 0.00 N ATOM 327 CA ASP A 24 33.409 15.282 -18.261 1.00 0.00 C ATOM 328 C ASP A 24 33.960 14.418 -17.124 1.00 0.00 C ATOM 329 O ASP A 24 33.484 14.499 -15.993 1.00 0.00 O ATOM 330 CB ASP A 24 32.362 14.460 -19.015 1.00 0.00 C ATOM 331 CG ASP A 24 31.018 14.313 -18.299 1.00 0.00 C ATOM 332 OD1 ASP A 24 30.952 14.732 -17.124 1.00 0.00 O ATOM 333 OD2 ASP A 24 30.087 13.783 -18.944 1.00 0.00 O ATOM 0 H ASP A 24 34.340 15.481 -20.128 1.00 0.00 H new ATOM 0 HA ASP A 24 32.945 16.190 -17.875 1.00 0.00 H new ATOM 0 HB2 ASP A 24 32.190 14.922 -19.987 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.768 13.466 -19.202 1.00 0.00 H new ATOM 338 N VAL A 25 34.954 13.611 -17.465 1.00 0.00 N ATOM 339 CA VAL A 25 35.574 12.733 -16.487 1.00 0.00 C ATOM 340 C VAL A 25 36.212 13.578 -15.382 1.00 0.00 C ATOM 341 O VAL A 25 35.925 13.381 -14.202 1.00 0.00 O ATOM 342 CB VAL A 25 36.571 11.802 -17.179 1.00 0.00 C ATOM 343 CG1 VAL A 25 37.346 10.971 -16.154 1.00 0.00 C ATOM 344 CG2 VAL A 25 35.866 10.901 -18.195 1.00 0.00 C ATOM 0 H VAL A 25 35.345 13.547 -18.405 1.00 0.00 H new ATOM 0 HA VAL A 25 34.826 12.095 -16.017 1.00 0.00 H new ATOM 0 HB VAL A 25 37.287 12.420 -17.720 1.00 0.00 H new ATOM 0 HG11 VAL A 25 38.048 10.317 -16.672 1.00 0.00 H new ATOM 0 HG12 VAL A 25 37.894 11.636 -15.486 1.00 0.00 H new ATOM 0 HG13 VAL A 25 36.649 10.367 -15.573 1.00 0.00 H new ATOM 0 HG21 VAL A 25 36.598 10.249 -18.673 1.00 0.00 H new ATOM 0 HG22 VAL A 25 35.117 10.294 -17.685 1.00 0.00 H new ATOM 0 HG23 VAL A 25 35.380 11.517 -18.952 1.00 0.00 H new ATOM 354 N LEU A 26 37.064 14.500 -15.804 1.00 0.00 N ATOM 355 CA LEU A 26 37.745 15.375 -14.864 1.00 0.00 C ATOM 356 C LEU A 26 36.710 16.062 -13.971 1.00 0.00 C ATOM 357 O LEU A 26 36.932 16.229 -12.773 1.00 0.00 O ATOM 358 CB LEU A 26 38.660 16.351 -15.607 1.00 0.00 C ATOM 359 CG LEU A 26 40.065 15.838 -15.932 1.00 0.00 C ATOM 360 CD1 LEU A 26 40.644 16.561 -17.150 1.00 0.00 C ATOM 361 CD2 LEU A 26 40.982 15.944 -14.713 1.00 0.00 C ATOM 0 H LEU A 26 37.299 14.661 -16.784 1.00 0.00 H new ATOM 0 HA LEU A 26 38.397 14.797 -14.210 1.00 0.00 H new ATOM 0 HB2 LEU A 26 38.174 16.635 -16.540 1.00 0.00 H new ATOM 0 HB3 LEU A 26 38.755 17.257 -15.008 1.00 0.00 H new ATOM 0 HG LEU A 26 39.993 14.781 -16.189 1.00 0.00 H new ATOM 0 HD11 LEU A 26 41.643 16.178 -17.360 1.00 0.00 H new ATOM 0 HD12 LEU A 26 40.001 16.391 -18.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 40.701 17.630 -16.945 1.00 0.00 H new ATOM 0 HD21 LEU A 26 41.974 15.573 -14.971 1.00 0.00 H new ATOM 0 HD22 LEU A 26 41.054 16.986 -14.401 1.00 0.00 H new ATOM 0 HD23 LEU A 26 40.573 15.349 -13.897 1.00 0.00 H new ATOM 373 N LEU A 27 35.601 16.441 -14.589 1.00 0.00 N ATOM 374 CA LEU A 27 34.531 17.106 -13.865 1.00 0.00 C ATOM 375 C LEU A 27 34.019 16.181 -12.759 1.00 0.00 C ATOM 376 O LEU A 27 33.585 16.648 -11.707 1.00 0.00 O ATOM 377 CB LEU A 27 33.439 17.572 -14.831 1.00 0.00 C ATOM 378 CG LEU A 27 33.875 18.574 -15.902 1.00 0.00 C ATOM 379 CD1 LEU A 27 32.826 18.683 -17.010 1.00 0.00 C ATOM 380 CD2 LEU A 27 34.195 19.935 -15.280 1.00 0.00 C ATOM 0 H LEU A 27 35.420 16.300 -15.583 1.00 0.00 H new ATOM 0 HA LEU A 27 34.902 18.009 -13.381 1.00 0.00 H new ATOM 0 HB2 LEU A 27 33.024 16.696 -15.329 1.00 0.00 H new ATOM 0 HB3 LEU A 27 32.633 18.020 -14.249 1.00 0.00 H new ATOM 0 HG LEU A 27 34.792 18.206 -16.362 1.00 0.00 H new ATOM 0 HD11 LEU A 27 33.160 19.402 -17.758 1.00 0.00 H new ATOM 0 HD12 LEU A 27 32.689 17.708 -17.479 1.00 0.00 H new ATOM 0 HD13 LEU A 27 31.880 19.017 -16.584 1.00 0.00 H new ATOM 0 HD21 LEU A 27 34.502 20.629 -16.062 1.00 0.00 H new ATOM 0 HD22 LEU A 27 33.309 20.323 -14.778 1.00 0.00 H new ATOM 0 HD23 LEU A 27 35.002 19.823 -14.556 1.00 0.00 H new ATOM 392 N SER A 28 34.086 14.887 -13.035 1.00 0.00 N ATOM 393 CA SER A 28 33.634 13.893 -12.076 1.00 0.00 C ATOM 394 C SER A 28 34.629 13.794 -10.918 1.00 0.00 C ATOM 395 O SER A 28 34.230 13.664 -9.761 1.00 0.00 O ATOM 396 CB SER A 28 33.456 12.527 -12.741 1.00 0.00 C ATOM 397 OG SER A 28 32.282 11.860 -12.285 1.00 0.00 O ATOM 0 H SER A 28 34.446 14.504 -13.909 1.00 0.00 H new ATOM 0 HA SER A 28 32.665 14.207 -11.689 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.404 12.654 -13.822 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.328 11.907 -12.535 1.00 0.00 H new ATOM 0 HG SER A 28 32.203 10.993 -12.734 1.00 0.00 H new ATOM 403 N MET A 29 35.905 13.858 -11.269 1.00 0.00 N ATOM 404 CA MET A 29 36.960 13.776 -10.273 1.00 0.00 C ATOM 405 C MET A 29 36.833 14.903 -9.246 1.00 0.00 C ATOM 406 O MET A 29 37.295 14.771 -8.113 1.00 0.00 O ATOM 407 CB MET A 29 38.322 13.866 -10.963 1.00 0.00 C ATOM 408 CG MET A 29 38.748 12.505 -11.516 1.00 0.00 C ATOM 409 SD MET A 29 40.479 12.225 -11.181 1.00 0.00 S ATOM 410 CE MET A 29 41.085 12.005 -12.846 1.00 0.00 C ATOM 0 H MET A 29 36.232 13.966 -12.229 1.00 0.00 H new ATOM 0 HA MET A 29 36.869 12.823 -9.752 1.00 0.00 H new ATOM 0 HB2 MET A 29 38.276 14.593 -11.774 1.00 0.00 H new ATOM 0 HB3 MET A 29 39.069 14.225 -10.255 1.00 0.00 H new ATOM 0 HG2 MET A 29 38.149 11.715 -11.063 1.00 0.00 H new ATOM 0 HG3 MET A 29 38.566 12.466 -12.590 1.00 0.00 H new ATOM 0 HE1 MET A 29 42.159 11.819 -12.821 1.00 0.00 H new ATOM 0 HE2 MET A 29 40.580 11.156 -13.308 1.00 0.00 H new ATOM 0 HE3 MET A 29 40.886 12.905 -13.427 1.00 0.00 H new ATOM 420 N GLY A 30 36.204 15.986 -9.678 1.00 0.00 N ATOM 421 CA GLY A 30 36.010 17.135 -8.810 1.00 0.00 C ATOM 422 C GLY A 30 36.798 18.345 -9.317 1.00 0.00 C ATOM 423 O GLY A 30 37.172 19.218 -8.536 1.00 0.00 O ATOM 0 H GLY A 30 35.822 16.092 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 30 34.950 17.382 -8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 30 36.328 16.888 -7.797 1.00 0.00 H new ATOM 427 N PHE A 31 37.028 18.356 -10.622 1.00 0.00 N ATOM 428 CA PHE A 31 37.765 19.444 -11.242 1.00 0.00 C ATOM 429 C PHE A 31 36.831 20.350 -12.047 1.00 0.00 C ATOM 430 O PHE A 31 35.864 19.879 -12.642 1.00 0.00 O ATOM 431 CB PHE A 31 38.784 18.810 -12.191 1.00 0.00 C ATOM 432 CG PHE A 31 40.010 18.224 -11.488 1.00 0.00 C ATOM 433 CD1 PHE A 31 39.982 16.945 -11.026 1.00 0.00 C ATOM 434 CD2 PHE A 31 41.127 18.982 -11.324 1.00 0.00 C ATOM 435 CE1 PHE A 31 41.120 16.402 -10.373 1.00 0.00 C ATOM 436 CE2 PHE A 31 42.264 18.439 -10.671 1.00 0.00 C ATOM 437 CZ PHE A 31 42.237 17.160 -10.209 1.00 0.00 C ATOM 0 H PHE A 31 36.717 17.629 -11.267 1.00 0.00 H new ATOM 0 HA PHE A 31 38.246 20.052 -10.476 1.00 0.00 H new ATOM 0 HB2 PHE A 31 38.293 18.021 -12.760 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.114 19.562 -12.908 1.00 0.00 H new ATOM 0 HD1 PHE A 31 39.095 16.343 -11.156 1.00 0.00 H new ATOM 0 HD2 PHE A 31 41.149 19.998 -11.691 1.00 0.00 H new ATOM 0 HE1 PHE A 31 41.098 15.386 -10.006 1.00 0.00 H new ATOM 0 HE2 PHE A 31 43.151 19.041 -10.541 1.00 0.00 H new ATOM 0 HZ PHE A 31 43.102 16.747 -9.712 1.00 0.00 H new ATOM 447 N PRO A 32 37.163 21.669 -12.039 1.00 0.00 N ATOM 448 CA PRO A 32 36.365 22.646 -12.761 1.00 0.00 C ATOM 449 C PRO A 32 36.619 22.556 -14.267 1.00 0.00 C ATOM 450 O PRO A 32 37.763 22.426 -14.701 1.00 0.00 O ATOM 451 CB PRO A 32 36.761 23.990 -12.171 1.00 0.00 C ATOM 452 CG PRO A 32 38.092 23.763 -11.473 1.00 0.00 C ATOM 453 CD PRO A 32 38.302 22.264 -11.345 1.00 0.00 C ATOM 0 HA PRO A 32 35.294 22.478 -12.652 1.00 0.00 H new ATOM 0 HB2 PRO A 32 36.853 24.747 -12.950 1.00 0.00 H new ATOM 0 HB3 PRO A 32 36.007 24.345 -11.468 1.00 0.00 H new ATOM 0 HG2 PRO A 32 38.904 24.215 -12.043 1.00 0.00 H new ATOM 0 HG3 PRO A 32 38.093 24.234 -10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 32 39.245 21.956 -11.796 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.333 21.956 -10.300 1.00 0.00 H new ATOM 461 N ARG A 33 35.533 22.629 -15.023 1.00 0.00 N ATOM 462 CA ARG A 33 35.624 22.557 -16.471 1.00 0.00 C ATOM 463 C ARG A 33 36.845 23.335 -16.966 1.00 0.00 C ATOM 464 O ARG A 33 37.700 22.782 -17.656 1.00 0.00 O ATOM 465 CB ARG A 33 34.365 23.125 -17.130 1.00 0.00 C ATOM 466 CG ARG A 33 34.386 22.893 -18.643 1.00 0.00 C ATOM 467 CD ARG A 33 33.567 23.959 -19.372 1.00 0.00 C ATOM 468 NE ARG A 33 32.122 23.723 -19.156 1.00 0.00 N ATOM 469 CZ ARG A 33 31.161 24.600 -19.476 1.00 0.00 C ATOM 470 NH1 ARG A 33 31.485 25.777 -20.029 1.00 0.00 N ATOM 471 NH2 ARG A 33 29.876 24.300 -19.244 1.00 0.00 N ATOM 0 H ARG A 33 34.586 22.737 -14.660 1.00 0.00 H new ATOM 0 HA ARG A 33 35.723 21.507 -16.745 1.00 0.00 H new ATOM 0 HB2 ARG A 33 33.481 22.655 -16.699 1.00 0.00 H new ATOM 0 HB3 ARG A 33 34.292 24.193 -16.923 1.00 0.00 H new ATOM 0 HG2 ARG A 33 35.415 22.910 -19.003 1.00 0.00 H new ATOM 0 HG3 ARG A 33 33.986 21.904 -18.869 1.00 0.00 H new ATOM 0 HD2 ARG A 33 33.840 24.950 -19.010 1.00 0.00 H new ATOM 0 HD3 ARG A 33 33.792 23.936 -20.438 1.00 0.00 H new ATOM 0 HE ARG A 33 31.840 22.837 -18.737 1.00 0.00 H new ATOM 0 HH11 ARG A 33 32.463 26.005 -20.206 1.00 0.00 H new ATOM 0 HH12 ARG A 33 30.753 26.445 -20.273 1.00 0.00 H new ATOM 0 HH21 ARG A 33 29.629 23.404 -18.824 1.00 0.00 H new ATOM 0 HH22 ARG A 33 29.144 24.968 -19.488 1.00 0.00 H new ATOM 485 N ALA A 34 36.888 24.606 -16.593 1.00 0.00 N ATOM 486 CA ALA A 34 37.991 25.465 -16.990 1.00 0.00 C ATOM 487 C ALA A 34 39.314 24.736 -16.745 1.00 0.00 C ATOM 488 O ALA A 34 40.033 24.413 -17.690 1.00 0.00 O ATOM 489 CB ALA A 34 37.906 26.789 -16.230 1.00 0.00 C ATOM 0 H ALA A 34 36.177 25.061 -16.020 1.00 0.00 H new ATOM 0 HA ALA A 34 37.934 25.695 -18.054 1.00 0.00 H new ATOM 0 HB1 ALA A 34 38.733 27.433 -16.528 1.00 0.00 H new ATOM 0 HB2 ALA A 34 36.961 27.281 -16.461 1.00 0.00 H new ATOM 0 HB3 ALA A 34 37.963 26.598 -15.158 1.00 0.00 H new ATOM 495 N ARG A 35 39.595 24.498 -15.473 1.00 0.00 N ATOM 496 CA ARG A 35 40.818 23.813 -15.092 1.00 0.00 C ATOM 497 C ARG A 35 41.119 22.678 -16.072 1.00 0.00 C ATOM 498 O ARG A 35 42.196 22.633 -16.664 1.00 0.00 O ATOM 499 CB ARG A 35 40.711 23.241 -13.677 1.00 0.00 C ATOM 500 CG ARG A 35 41.254 24.230 -12.643 1.00 0.00 C ATOM 501 CD ARG A 35 42.782 24.293 -12.695 1.00 0.00 C ATOM 502 NE ARG A 35 43.227 25.702 -12.778 1.00 0.00 N ATOM 503 CZ ARG A 35 43.363 26.511 -11.719 1.00 0.00 C ATOM 504 NH1 ARG A 35 43.089 26.056 -10.489 1.00 0.00 N ATOM 505 NH2 ARG A 35 43.773 27.776 -11.889 1.00 0.00 N ATOM 0 H ARG A 35 38.996 24.767 -14.692 1.00 0.00 H new ATOM 0 HA ARG A 35 41.628 24.543 -15.117 1.00 0.00 H new ATOM 0 HB2 ARG A 35 39.670 23.010 -13.452 1.00 0.00 H new ATOM 0 HB3 ARG A 35 41.266 22.305 -13.616 1.00 0.00 H new ATOM 0 HG2 ARG A 35 40.839 25.221 -12.829 1.00 0.00 H new ATOM 0 HG3 ARG A 35 40.932 23.932 -11.645 1.00 0.00 H new ATOM 0 HD2 ARG A 35 43.204 23.821 -11.808 1.00 0.00 H new ATOM 0 HD3 ARG A 35 43.148 23.736 -13.557 1.00 0.00 H new ATOM 0 HE ARG A 35 43.444 26.081 -13.700 1.00 0.00 H new ATOM 0 HH11 ARG A 35 42.777 25.094 -10.359 1.00 0.00 H new ATOM 0 HH12 ARG A 35 43.193 26.672 -9.683 1.00 0.00 H new ATOM 0 HH21 ARG A 35 43.982 28.123 -12.825 1.00 0.00 H new ATOM 0 HH22 ARG A 35 43.876 28.391 -11.082 1.00 0.00 H new ATOM 519 N ALA A 36 40.147 21.788 -16.214 1.00 0.00 N ATOM 520 CA ALA A 36 40.294 20.656 -17.113 1.00 0.00 C ATOM 521 C ALA A 36 40.566 21.167 -18.529 1.00 0.00 C ATOM 522 O ALA A 36 41.440 20.648 -19.222 1.00 0.00 O ATOM 523 CB ALA A 36 39.041 19.780 -17.039 1.00 0.00 C ATOM 0 H ALA A 36 39.255 21.828 -15.721 1.00 0.00 H new ATOM 0 HA ALA A 36 41.142 20.038 -16.818 1.00 0.00 H new ATOM 0 HB1 ALA A 36 39.151 18.931 -17.713 1.00 0.00 H new ATOM 0 HB2 ALA A 36 38.909 19.419 -16.019 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.170 20.366 -17.332 1.00 0.00 H new ATOM 529 N GLN A 37 39.802 22.178 -18.916 1.00 0.00 N ATOM 530 CA GLN A 37 39.950 22.764 -20.237 1.00 0.00 C ATOM 531 C GLN A 37 41.394 23.222 -20.456 1.00 0.00 C ATOM 532 O GLN A 37 42.084 22.712 -21.337 1.00 0.00 O ATOM 533 CB GLN A 37 38.971 23.923 -20.436 1.00 0.00 C ATOM 534 CG GLN A 37 37.702 23.452 -21.150 1.00 0.00 C ATOM 535 CD GLN A 37 37.565 24.119 -22.520 1.00 0.00 C ATOM 536 OE1 GLN A 37 38.326 23.869 -23.440 1.00 0.00 O ATOM 537 NE2 GLN A 37 36.554 24.979 -22.604 1.00 0.00 N ATOM 0 H GLN A 37 39.079 22.606 -18.338 1.00 0.00 H new ATOM 0 HA GLN A 37 39.715 22.002 -20.980 1.00 0.00 H new ATOM 0 HB2 GLN A 37 38.710 24.354 -19.469 1.00 0.00 H new ATOM 0 HB3 GLN A 37 39.449 24.711 -21.018 1.00 0.00 H new ATOM 0 HG2 GLN A 37 37.728 22.369 -21.270 1.00 0.00 H new ATOM 0 HG3 GLN A 37 36.829 23.684 -20.540 1.00 0.00 H new ATOM 0 HE21 GLN A 37 35.954 25.142 -21.795 1.00 0.00 H new ATOM 0 HE22 GLN A 37 36.378 25.476 -23.477 1.00 0.00 H new ATOM 546 N LYS A 38 41.807 24.180 -19.639 1.00 0.00 N ATOM 547 CA LYS A 38 43.155 24.713 -19.731 1.00 0.00 C ATOM 548 C LYS A 38 44.150 23.556 -19.847 1.00 0.00 C ATOM 549 O LYS A 38 44.971 23.527 -20.762 1.00 0.00 O ATOM 550 CB LYS A 38 43.441 25.654 -18.560 1.00 0.00 C ATOM 551 CG LYS A 38 44.601 26.598 -18.885 1.00 0.00 C ATOM 552 CD LYS A 38 44.474 27.910 -18.109 1.00 0.00 C ATOM 553 CE LYS A 38 44.902 27.728 -16.651 1.00 0.00 C ATOM 554 NZ LYS A 38 43.728 27.802 -15.753 1.00 0.00 N ATOM 0 H LYS A 38 41.231 24.601 -18.910 1.00 0.00 H new ATOM 0 HA LYS A 38 43.264 25.319 -20.630 1.00 0.00 H new ATOM 0 HB2 LYS A 38 42.548 26.235 -18.330 1.00 0.00 H new ATOM 0 HB3 LYS A 38 43.680 25.071 -17.671 1.00 0.00 H new ATOM 0 HG2 LYS A 38 45.547 26.116 -18.639 1.00 0.00 H new ATOM 0 HG3 LYS A 38 44.618 26.804 -19.955 1.00 0.00 H new ATOM 0 HD2 LYS A 38 45.090 28.676 -18.580 1.00 0.00 H new ATOM 0 HD3 LYS A 38 43.443 28.261 -18.148 1.00 0.00 H new ATOM 0 HE2 LYS A 38 45.400 26.766 -16.529 1.00 0.00 H new ATOM 0 HE3 LYS A 38 45.624 28.498 -16.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 44.036 27.677 -14.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 43.269 28.730 -15.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 43.052 27.052 -16.003 1.00 0.00 H new ATOM 568 N ALA A 39 44.042 22.629 -18.906 1.00 0.00 N ATOM 569 CA ALA A 39 44.921 21.472 -18.891 1.00 0.00 C ATOM 570 C ALA A 39 44.809 20.734 -20.227 1.00 0.00 C ATOM 571 O ALA A 39 45.792 20.612 -20.957 1.00 0.00 O ATOM 572 CB ALA A 39 44.569 20.579 -17.700 1.00 0.00 C ATOM 0 H ALA A 39 43.359 22.656 -18.149 1.00 0.00 H new ATOM 0 HA ALA A 39 45.960 21.781 -18.771 1.00 0.00 H new ATOM 0 HB1 ALA A 39 45.228 19.711 -17.689 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.693 21.141 -16.774 1.00 0.00 H new ATOM 0 HB3 ALA A 39 43.534 20.248 -17.787 1.00 0.00 H new ATOM 578 N LEU A 40 43.603 20.262 -20.506 1.00 0.00 N ATOM 579 CA LEU A 40 43.350 19.539 -21.741 1.00 0.00 C ATOM 580 C LEU A 40 44.077 20.236 -22.893 1.00 0.00 C ATOM 581 O LEU A 40 44.968 19.656 -23.510 1.00 0.00 O ATOM 582 CB LEU A 40 41.846 19.380 -21.969 1.00 0.00 C ATOM 583 CG LEU A 40 41.162 18.261 -21.181 1.00 0.00 C ATOM 584 CD1 LEU A 40 39.726 18.645 -20.818 1.00 0.00 C ATOM 585 CD2 LEU A 40 41.226 16.936 -21.941 1.00 0.00 C ATOM 0 H LEU A 40 42.790 20.366 -19.898 1.00 0.00 H new ATOM 0 HA LEU A 40 43.749 18.526 -21.679 1.00 0.00 H new ATOM 0 HB2 LEU A 40 41.359 20.323 -21.719 1.00 0.00 H new ATOM 0 HB3 LEU A 40 41.676 19.205 -23.031 1.00 0.00 H new ATOM 0 HG LEU A 40 41.704 18.121 -20.246 1.00 0.00 H new ATOM 0 HD11 LEU A 40 39.262 17.833 -20.258 1.00 0.00 H new ATOM 0 HD12 LEU A 40 39.734 19.548 -20.207 1.00 0.00 H new ATOM 0 HD13 LEU A 40 39.157 18.829 -21.729 1.00 0.00 H new ATOM 0 HD21 LEU A 40 40.733 16.158 -21.358 1.00 0.00 H new ATOM 0 HD22 LEU A 40 40.723 17.043 -22.902 1.00 0.00 H new ATOM 0 HD23 LEU A 40 42.268 16.661 -22.105 1.00 0.00 H new ATOM 597 N ALA A 41 43.669 21.471 -23.147 1.00 0.00 N ATOM 598 CA ALA A 41 44.270 22.253 -24.213 1.00 0.00 C ATOM 599 C ALA A 41 45.784 22.029 -24.213 1.00 0.00 C ATOM 600 O ALA A 41 46.340 21.519 -25.185 1.00 0.00 O ATOM 601 CB ALA A 41 43.899 23.727 -24.038 1.00 0.00 C ATOM 0 H ALA A 41 42.929 21.949 -22.632 1.00 0.00 H new ATOM 0 HA ALA A 41 43.889 21.934 -25.183 1.00 0.00 H new ATOM 0 HB1 ALA A 41 44.350 24.313 -24.838 1.00 0.00 H new ATOM 0 HB2 ALA A 41 42.815 23.836 -24.075 1.00 0.00 H new ATOM 0 HB3 ALA A 41 44.267 24.083 -23.076 1.00 0.00 H new ATOM 607 N SER A 42 46.408 22.421 -23.112 1.00 0.00 N ATOM 608 CA SER A 42 47.846 22.270 -22.973 1.00 0.00 C ATOM 609 C SER A 42 48.281 20.900 -23.496 1.00 0.00 C ATOM 610 O SER A 42 49.115 20.811 -24.396 1.00 0.00 O ATOM 611 CB SER A 42 48.279 22.444 -21.516 1.00 0.00 C ATOM 612 OG SER A 42 47.899 23.714 -20.993 1.00 0.00 O ATOM 0 H SER A 42 45.944 22.843 -22.308 1.00 0.00 H new ATOM 0 HA SER A 42 48.331 23.048 -23.563 1.00 0.00 H new ATOM 0 HB2 SER A 42 47.835 21.655 -20.909 1.00 0.00 H new ATOM 0 HB3 SER A 42 49.361 22.331 -21.444 1.00 0.00 H new ATOM 0 HG SER A 42 48.294 23.833 -20.104 1.00 0.00 H new ATOM 618 N THR A 43 47.697 19.865 -22.910 1.00 0.00 N ATOM 619 CA THR A 43 48.014 18.504 -23.306 1.00 0.00 C ATOM 620 C THR A 43 47.060 18.031 -24.404 1.00 0.00 C ATOM 621 O THR A 43 46.722 16.851 -24.472 1.00 0.00 O ATOM 622 CB THR A 43 47.980 17.627 -22.052 1.00 0.00 C ATOM 623 OG1 THR A 43 46.669 17.821 -21.528 1.00 0.00 O ATOM 624 CG2 THR A 43 48.904 18.146 -20.949 1.00 0.00 C ATOM 0 H THR A 43 47.006 19.942 -22.164 1.00 0.00 H new ATOM 0 HA THR A 43 49.013 18.441 -23.738 1.00 0.00 H new ATOM 0 HB THR A 43 48.265 16.608 -22.314 1.00 0.00 H new ATOM 0 HG1 THR A 43 46.730 18.190 -20.622 1.00 0.00 H new ATOM 0 HG21 THR A 43 48.842 17.488 -20.083 1.00 0.00 H new ATOM 0 HG22 THR A 43 49.931 18.168 -21.315 1.00 0.00 H new ATOM 0 HG23 THR A 43 48.599 19.153 -20.663 1.00 0.00 H new ATOM 632 N GLY A 44 46.651 18.978 -25.236 1.00 0.00 N ATOM 633 CA GLY A 44 45.742 18.674 -26.327 1.00 0.00 C ATOM 634 C GLY A 44 44.383 18.212 -25.797 1.00 0.00 C ATOM 635 O GLY A 44 43.429 18.988 -25.762 1.00 0.00 O ATOM 0 H GLY A 44 46.933 19.956 -25.176 1.00 0.00 H new ATOM 0 HA2 GLY A 44 45.611 19.557 -26.953 1.00 0.00 H new ATOM 0 HA3 GLY A 44 46.173 17.897 -26.958 1.00 0.00 H new ATOM 639 N GLY A 45 44.339 16.950 -25.396 1.00 0.00 N ATOM 640 CA GLY A 45 43.113 16.375 -24.868 1.00 0.00 C ATOM 641 C GLY A 45 42.977 14.906 -25.275 1.00 0.00 C ATOM 642 O GLY A 45 42.023 14.532 -25.956 1.00 0.00 O ATOM 0 H GLY A 45 45.132 16.310 -25.426 1.00 0.00 H new ATOM 0 HA2 GLY A 45 43.107 16.457 -23.781 1.00 0.00 H new ATOM 0 HA3 GLY A 45 42.255 16.939 -25.235 1.00 0.00 H new ATOM 646 N ARG A 46 43.945 14.113 -24.840 1.00 0.00 N ATOM 647 CA ARG A 46 43.946 12.693 -25.151 1.00 0.00 C ATOM 648 C ARG A 46 43.634 11.876 -23.896 1.00 0.00 C ATOM 649 O ARG A 46 42.691 11.085 -23.884 1.00 0.00 O ATOM 650 CB ARG A 46 45.298 12.253 -25.714 1.00 0.00 C ATOM 651 CG ARG A 46 45.509 12.802 -27.127 1.00 0.00 C ATOM 652 CD ARG A 46 46.856 12.351 -27.695 1.00 0.00 C ATOM 653 NE ARG A 46 47.032 12.887 -29.063 1.00 0.00 N ATOM 654 CZ ARG A 46 47.996 12.492 -29.906 1.00 0.00 C ATOM 655 NH1 ARG A 46 48.876 11.556 -29.526 1.00 0.00 N ATOM 656 NH2 ARG A 46 48.080 13.034 -31.129 1.00 0.00 N ATOM 0 H ARG A 46 44.734 14.426 -24.275 1.00 0.00 H new ATOM 0 HA ARG A 46 43.178 12.518 -25.904 1.00 0.00 H new ATOM 0 HB2 ARG A 46 46.098 12.602 -25.061 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.352 11.164 -25.731 1.00 0.00 H new ATOM 0 HG2 ARG A 46 44.704 12.461 -27.777 1.00 0.00 H new ATOM 0 HG3 ARG A 46 45.464 13.891 -27.108 1.00 0.00 H new ATOM 0 HD2 ARG A 46 47.666 12.698 -27.053 1.00 0.00 H new ATOM 0 HD3 ARG A 46 46.907 11.262 -27.713 1.00 0.00 H new ATOM 0 HE ARG A 46 46.379 13.602 -29.384 1.00 0.00 H new ATOM 0 HH11 ARG A 46 48.812 11.144 -28.595 1.00 0.00 H new ATOM 0 HH12 ARG A 46 49.610 11.255 -30.168 1.00 0.00 H new ATOM 0 HH21 ARG A 46 47.410 13.747 -31.418 1.00 0.00 H new ATOM 0 HH22 ARG A 46 48.814 12.733 -31.771 1.00 0.00 H new ATOM 670 N SER A 47 44.443 12.094 -22.869 1.00 0.00 N ATOM 671 CA SER A 47 44.264 11.387 -21.612 1.00 0.00 C ATOM 672 C SER A 47 44.079 12.388 -20.471 1.00 0.00 C ATOM 673 O SER A 47 44.600 13.501 -20.526 1.00 0.00 O ATOM 674 CB SER A 47 45.453 10.468 -21.324 1.00 0.00 C ATOM 675 OG SER A 47 45.631 9.489 -22.345 1.00 0.00 O ATOM 0 H SER A 47 45.224 12.750 -22.882 1.00 0.00 H new ATOM 0 HA SER A 47 43.371 10.767 -21.692 1.00 0.00 H new ATOM 0 HB2 SER A 47 46.360 11.066 -21.233 1.00 0.00 H new ATOM 0 HB3 SER A 47 45.302 9.970 -20.366 1.00 0.00 H new ATOM 0 HG SER A 47 46.401 8.923 -22.125 1.00 0.00 H new ATOM 681 N VAL A 48 43.335 11.957 -19.463 1.00 0.00 N ATOM 682 CA VAL A 48 43.075 12.802 -18.310 1.00 0.00 C ATOM 683 C VAL A 48 44.276 12.752 -17.364 1.00 0.00 C ATOM 684 O VAL A 48 44.590 13.739 -16.700 1.00 0.00 O ATOM 685 CB VAL A 48 41.767 12.380 -17.637 1.00 0.00 C ATOM 686 CG1 VAL A 48 40.561 12.747 -18.504 1.00 0.00 C ATOM 687 CG2 VAL A 48 41.774 10.885 -17.313 1.00 0.00 C ATOM 0 H VAL A 48 42.904 11.034 -19.421 1.00 0.00 H new ATOM 0 HA VAL A 48 42.947 13.840 -18.619 1.00 0.00 H new ATOM 0 HB VAL A 48 41.683 12.926 -16.697 1.00 0.00 H new ATOM 0 HG11 VAL A 48 39.644 12.436 -18.003 1.00 0.00 H new ATOM 0 HG12 VAL A 48 40.541 13.825 -18.661 1.00 0.00 H new ATOM 0 HG13 VAL A 48 40.637 12.241 -19.467 1.00 0.00 H new ATOM 0 HG21 VAL A 48 40.833 10.612 -16.835 1.00 0.00 H new ATOM 0 HG22 VAL A 48 41.893 10.314 -18.234 1.00 0.00 H new ATOM 0 HG23 VAL A 48 42.601 10.663 -16.639 1.00 0.00 H new ATOM 697 N GLN A 49 44.917 11.593 -17.333 1.00 0.00 N ATOM 698 CA GLN A 49 46.077 11.401 -16.480 1.00 0.00 C ATOM 699 C GLN A 49 47.150 12.444 -16.802 1.00 0.00 C ATOM 700 O GLN A 49 47.556 13.211 -15.930 1.00 0.00 O ATOM 701 CB GLN A 49 46.632 9.982 -16.619 1.00 0.00 C ATOM 702 CG GLN A 49 47.305 9.527 -15.323 1.00 0.00 C ATOM 703 CD GLN A 49 48.826 9.662 -15.417 1.00 0.00 C ATOM 704 OE1 GLN A 49 49.397 9.808 -16.485 1.00 0.00 O ATOM 705 NE2 GLN A 49 49.448 9.606 -14.242 1.00 0.00 N ATOM 0 H GLN A 49 44.655 10.777 -17.886 1.00 0.00 H new ATOM 0 HA GLN A 49 45.768 11.534 -15.443 1.00 0.00 H new ATOM 0 HB2 GLN A 49 45.825 9.295 -16.874 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.351 9.947 -17.438 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.935 10.122 -14.488 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.041 8.490 -15.117 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.909 9.482 -13.385 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.464 9.687 -14.198 1.00 0.00 H new ATOM 714 N THR A 50 47.579 12.438 -18.055 1.00 0.00 N ATOM 715 CA THR A 50 48.597 13.373 -18.503 1.00 0.00 C ATOM 716 C THR A 50 48.215 14.803 -18.114 1.00 0.00 C ATOM 717 O THR A 50 49.018 15.526 -17.526 1.00 0.00 O ATOM 718 CB THR A 50 48.785 13.182 -20.009 1.00 0.00 C ATOM 719 OG1 THR A 50 49.584 12.007 -20.113 1.00 0.00 O ATOM 720 CG2 THR A 50 49.651 14.278 -20.634 1.00 0.00 C ATOM 0 H THR A 50 47.240 11.800 -18.775 1.00 0.00 H new ATOM 0 HA THR A 50 49.553 13.181 -18.015 1.00 0.00 H new ATOM 0 HB THR A 50 47.811 13.166 -20.497 1.00 0.00 H new ATOM 0 HG1 THR A 50 49.753 11.809 -21.058 1.00 0.00 H new ATOM 0 HG21 THR A 50 49.753 14.095 -21.704 1.00 0.00 H new ATOM 0 HG22 THR A 50 49.181 15.248 -20.475 1.00 0.00 H new ATOM 0 HG23 THR A 50 50.637 14.272 -20.169 1.00 0.00 H new ATOM 728 N ALA A 51 46.989 15.168 -18.459 1.00 0.00 N ATOM 729 CA ALA A 51 46.490 16.498 -18.154 1.00 0.00 C ATOM 730 C ALA A 51 46.606 16.749 -16.649 1.00 0.00 C ATOM 731 O ALA A 51 47.121 17.782 -16.226 1.00 0.00 O ATOM 732 CB ALA A 51 45.053 16.633 -18.659 1.00 0.00 C ATOM 0 H ALA A 51 46.326 14.566 -18.947 1.00 0.00 H new ATOM 0 HA ALA A 51 47.086 17.257 -18.661 1.00 0.00 H new ATOM 0 HB1 ALA A 51 44.679 17.631 -18.430 1.00 0.00 H new ATOM 0 HB2 ALA A 51 45.030 16.476 -19.737 1.00 0.00 H new ATOM 0 HB3 ALA A 51 44.424 15.889 -18.170 1.00 0.00 H new ATOM 738 N CYS A 52 46.118 15.785 -15.882 1.00 0.00 N ATOM 739 CA CYS A 52 46.160 15.888 -14.433 1.00 0.00 C ATOM 740 C CYS A 52 47.574 16.300 -14.022 1.00 0.00 C ATOM 741 O CYS A 52 47.752 17.262 -13.275 1.00 0.00 O ATOM 742 CB CYS A 52 45.727 14.583 -13.761 1.00 0.00 C ATOM 743 SG CYS A 52 43.985 14.708 -13.214 1.00 0.00 S ATOM 0 H CYS A 52 45.692 14.929 -16.237 1.00 0.00 H new ATOM 0 HA CYS A 52 45.451 16.645 -14.098 1.00 0.00 H new ATOM 0 HB2 CYS A 52 45.839 13.751 -14.457 1.00 0.00 H new ATOM 0 HB3 CYS A 52 46.371 14.373 -12.907 1.00 0.00 H new ATOM 0 HG CYS A 52 43.627 13.594 -12.647 1.00 0.00 H new ATOM 749 N ASP A 53 48.545 15.553 -14.527 1.00 0.00 N ATOM 750 CA ASP A 53 49.938 15.829 -14.221 1.00 0.00 C ATOM 751 C ASP A 53 50.216 17.319 -14.430 1.00 0.00 C ATOM 752 O ASP A 53 50.831 17.964 -13.582 1.00 0.00 O ATOM 753 CB ASP A 53 50.871 15.040 -15.142 1.00 0.00 C ATOM 754 CG ASP A 53 52.343 15.040 -14.725 1.00 0.00 C ATOM 755 OD1 ASP A 53 52.646 14.373 -13.712 1.00 0.00 O ATOM 756 OD2 ASP A 53 53.132 15.707 -15.429 1.00 0.00 O ATOM 0 H ASP A 53 48.394 14.757 -15.146 1.00 0.00 H new ATOM 0 HA ASP A 53 50.120 15.537 -13.187 1.00 0.00 H new ATOM 0 HB2 ASP A 53 50.523 14.008 -15.190 1.00 0.00 H new ATOM 0 HB3 ASP A 53 50.794 15.449 -16.149 1.00 0.00 H new ATOM 761 N TRP A 54 49.750 17.822 -15.563 1.00 0.00 N ATOM 762 CA TRP A 54 49.941 19.224 -15.895 1.00 0.00 C ATOM 763 C TRP A 54 49.281 20.062 -14.798 1.00 0.00 C ATOM 764 O TRP A 54 49.922 20.925 -14.201 1.00 0.00 O ATOM 765 CB TRP A 54 49.402 19.535 -17.292 1.00 0.00 C ATOM 766 CG TRP A 54 49.682 20.964 -17.763 1.00 0.00 C ATOM 767 CD1 TRP A 54 50.708 21.402 -18.504 1.00 0.00 C ATOM 768 CD2 TRP A 54 48.878 22.131 -17.492 1.00 0.00 C ATOM 769 NE1 TRP A 54 50.625 22.761 -18.731 1.00 0.00 N ATOM 770 CE2 TRP A 54 49.477 23.218 -18.096 1.00 0.00 C ATOM 771 CE3 TRP A 54 47.684 22.264 -16.762 1.00 0.00 C ATOM 772 CZ2 TRP A 54 48.954 24.516 -18.030 1.00 0.00 C ATOM 773 CZ3 TRP A 54 47.175 23.567 -16.706 1.00 0.00 C ATOM 774 CH2 TRP A 54 47.765 24.672 -17.308 1.00 0.00 C ATOM 0 H TRP A 54 49.240 17.284 -16.264 1.00 0.00 H new ATOM 0 HA TRP A 54 51.002 19.472 -15.932 1.00 0.00 H new ATOM 0 HB2 TRP A 54 49.841 18.836 -18.004 1.00 0.00 H new ATOM 0 HB3 TRP A 54 48.325 19.365 -17.301 1.00 0.00 H new ATOM 0 HD1 TRP A 54 51.501 20.771 -18.877 1.00 0.00 H new ATOM 0 HE1 TRP A 54 51.285 23.326 -19.266 1.00 0.00 H new ATOM 0 HE3 TRP A 54 47.198 21.427 -16.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 49.442 25.351 -18.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 46.259 23.725 -16.156 1.00 0.00 H new ATOM 0 HH2 TRP A 54 47.308 25.647 -17.219 1.00 0.00 H new ATOM 785 N LEU A 55 48.007 19.780 -14.568 1.00 0.00 N ATOM 786 CA LEU A 55 47.253 20.497 -13.554 1.00 0.00 C ATOM 787 C LEU A 55 48.121 20.672 -12.307 1.00 0.00 C ATOM 788 O LEU A 55 48.472 21.793 -11.942 1.00 0.00 O ATOM 789 CB LEU A 55 45.920 19.798 -13.283 1.00 0.00 C ATOM 790 CG LEU A 55 44.759 20.185 -14.202 1.00 0.00 C ATOM 791 CD1 LEU A 55 43.783 19.019 -14.373 1.00 0.00 C ATOM 792 CD2 LEU A 55 44.060 21.449 -13.700 1.00 0.00 C ATOM 0 H LEU A 55 47.478 19.065 -15.067 1.00 0.00 H new ATOM 0 HA LEU A 55 46.996 21.496 -13.906 1.00 0.00 H new ATOM 0 HB2 LEU A 55 46.075 18.722 -13.360 1.00 0.00 H new ATOM 0 HB3 LEU A 55 45.627 20.005 -12.254 1.00 0.00 H new ATOM 0 HG LEU A 55 45.165 20.412 -15.188 1.00 0.00 H new ATOM 0 HD11 LEU A 55 42.968 19.321 -15.030 1.00 0.00 H new ATOM 0 HD12 LEU A 55 44.306 18.168 -14.810 1.00 0.00 H new ATOM 0 HD13 LEU A 55 43.380 18.737 -13.401 1.00 0.00 H new ATOM 0 HD21 LEU A 55 43.239 21.702 -14.371 1.00 0.00 H new ATOM 0 HD22 LEU A 55 43.669 21.275 -12.698 1.00 0.00 H new ATOM 0 HD23 LEU A 55 44.773 22.273 -13.673 1.00 0.00 H new ATOM 804 N PHE A 56 48.443 19.546 -11.687 1.00 0.00 N ATOM 805 CA PHE A 56 49.264 19.560 -10.488 1.00 0.00 C ATOM 806 C PHE A 56 50.610 20.238 -10.753 1.00 0.00 C ATOM 807 O PHE A 56 50.955 21.218 -10.095 1.00 0.00 O ATOM 808 CB PHE A 56 49.509 18.101 -10.097 1.00 0.00 C ATOM 809 CG PHE A 56 48.236 17.257 -10.014 1.00 0.00 C ATOM 810 CD1 PHE A 56 47.132 17.750 -9.393 1.00 0.00 C ATOM 811 CD2 PHE A 56 48.209 16.012 -10.562 1.00 0.00 C ATOM 812 CE1 PHE A 56 45.950 16.966 -9.317 1.00 0.00 C ATOM 813 CE2 PHE A 56 47.028 15.228 -10.486 1.00 0.00 C ATOM 814 CZ PHE A 56 45.923 15.722 -9.865 1.00 0.00 C ATOM 0 H PHE A 56 48.150 18.618 -11.993 1.00 0.00 H new ATOM 0 HA PHE A 56 48.758 20.114 -9.697 1.00 0.00 H new ATOM 0 HB2 PHE A 56 50.185 17.650 -10.823 1.00 0.00 H new ATOM 0 HB3 PHE A 56 50.014 18.074 -9.131 1.00 0.00 H new ATOM 0 HD1 PHE A 56 47.154 18.738 -8.957 1.00 0.00 H new ATOM 0 HD2 PHE A 56 49.086 15.620 -11.055 1.00 0.00 H new ATOM 0 HE1 PHE A 56 45.073 17.358 -8.824 1.00 0.00 H new ATOM 0 HE2 PHE A 56 47.007 14.240 -10.921 1.00 0.00 H new ATOM 0 HZ PHE A 56 45.024 15.126 -9.807 1.00 0.00 H new ATOM 824 N SER A 57 51.333 19.689 -11.717 1.00 0.00 N ATOM 825 CA SER A 57 52.634 20.228 -12.077 1.00 0.00 C ATOM 826 C SER A 57 52.560 21.753 -12.170 1.00 0.00 C ATOM 827 O SER A 57 52.046 22.295 -13.147 1.00 0.00 O ATOM 828 CB SER A 57 53.127 19.639 -13.400 1.00 0.00 C ATOM 829 OG SER A 57 54.497 19.947 -13.643 1.00 0.00 O ATOM 0 H SER A 57 51.043 18.876 -12.261 1.00 0.00 H new ATOM 0 HA SER A 57 53.346 19.951 -11.300 1.00 0.00 H new ATOM 0 HB2 SER A 57 52.995 18.557 -13.387 1.00 0.00 H new ATOM 0 HB3 SER A 57 52.518 20.024 -14.218 1.00 0.00 H new ATOM 0 HG SER A 57 54.805 19.464 -14.438 1.00 0.00 H new ATOM 835 N HIS A 58 53.082 22.403 -11.139 1.00 0.00 N ATOM 836 CA HIS A 58 53.082 23.855 -11.092 1.00 0.00 C ATOM 837 C HIS A 58 53.773 24.409 -12.340 1.00 0.00 C ATOM 838 O HIS A 58 53.128 25.018 -13.192 1.00 0.00 O ATOM 839 CB HIS A 58 53.714 24.356 -9.792 1.00 0.00 C ATOM 840 CG HIS A 58 52.898 24.057 -8.557 1.00 0.00 C ATOM 841 ND1 HIS A 58 53.457 23.962 -7.295 1.00 0.00 N ATOM 842 CD2 HIS A 58 51.562 23.832 -8.405 1.00 0.00 C ATOM 843 CE1 HIS A 58 52.491 23.692 -6.429 1.00 0.00 C ATOM 844 NE2 HIS A 58 51.318 23.611 -7.119 1.00 0.00 N ATOM 0 H HIS A 58 53.508 21.950 -10.330 1.00 0.00 H new ATOM 0 HA HIS A 58 52.056 24.223 -11.094 1.00 0.00 H new ATOM 0 HB2 HIS A 58 54.700 23.904 -9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 58 53.863 25.433 -9.864 1.00 0.00 H new ATOM 0 HD2 HIS A 58 50.827 23.833 -9.196 1.00 0.00 H new ATOM 0 HE1 HIS A 58 52.612 23.559 -5.364 1.00 0.00 H new ATOM 0 HE2 HIS A 58 50.403 23.413 -6.714 1.00 0.00 H new ATOM 852 N SER A 59 55.076 24.178 -12.407 1.00 0.00 N ATOM 853 CA SER A 59 55.861 24.646 -13.536 1.00 0.00 C ATOM 854 C SER A 59 57.202 23.911 -13.582 1.00 0.00 C ATOM 855 O SER A 59 58.010 24.027 -12.662 1.00 0.00 O ATOM 856 CB SER A 59 56.087 26.158 -13.461 1.00 0.00 C ATOM 857 OG SER A 59 56.969 26.617 -14.482 1.00 0.00 O ATOM 0 H SER A 59 55.607 23.673 -11.698 1.00 0.00 H new ATOM 0 HA SER A 59 55.306 24.433 -14.450 1.00 0.00 H new ATOM 0 HB2 SER A 59 55.130 26.672 -13.550 1.00 0.00 H new ATOM 0 HB3 SER A 59 56.498 26.415 -12.485 1.00 0.00 H new ATOM 0 HG SER A 59 57.086 27.587 -14.401 1.00 0.00 H new ATOM 863 N GLY A 60 57.397 23.169 -14.663 1.00 0.00 N ATOM 864 CA GLY A 60 58.626 22.414 -14.840 1.00 0.00 C ATOM 865 C GLY A 60 58.353 20.909 -14.815 1.00 0.00 C ATOM 866 O GLY A 60 57.327 20.468 -14.300 1.00 0.00 O ATOM 0 H GLY A 60 56.725 23.075 -15.424 1.00 0.00 H new ATOM 0 HA2 GLY A 60 59.092 22.687 -15.787 1.00 0.00 H new ATOM 0 HA3 GLY A 60 59.333 22.672 -14.051 1.00 0.00 H new ATOM 870 N PRO A 61 59.315 20.141 -15.394 1.00 0.00 N ATOM 871 CA PRO A 61 59.189 18.694 -15.443 1.00 0.00 C ATOM 872 C PRO A 61 59.468 18.073 -14.073 1.00 0.00 C ATOM 873 O PRO A 61 60.500 17.433 -13.877 1.00 0.00 O ATOM 874 CB PRO A 61 60.176 18.249 -16.510 1.00 0.00 C ATOM 875 CG PRO A 61 61.146 19.406 -16.689 1.00 0.00 C ATOM 876 CD PRO A 61 60.543 20.628 -16.015 1.00 0.00 C ATOM 0 HA PRO A 61 58.179 18.368 -15.693 1.00 0.00 H new ATOM 0 HB2 PRO A 61 60.700 17.344 -16.204 1.00 0.00 H new ATOM 0 HB3 PRO A 61 59.664 18.020 -17.445 1.00 0.00 H new ATOM 0 HG2 PRO A 61 62.113 19.165 -16.248 1.00 0.00 H new ATOM 0 HG3 PRO A 61 61.318 19.600 -17.748 1.00 0.00 H new ATOM 0 HD2 PRO A 61 61.223 21.047 -15.273 1.00 0.00 H new ATOM 0 HD3 PRO A 61 60.335 21.417 -16.738 1.00 0.00 H new ATOM 884 N SER A 62 58.530 18.283 -13.161 1.00 0.00 N ATOM 885 CA SER A 62 58.663 17.752 -11.815 1.00 0.00 C ATOM 886 C SER A 62 57.283 17.616 -11.168 1.00 0.00 C ATOM 887 O SER A 62 56.826 18.524 -10.475 1.00 0.00 O ATOM 888 CB SER A 62 59.566 18.641 -10.958 1.00 0.00 C ATOM 889 OG SER A 62 60.868 18.780 -11.520 1.00 0.00 O ATOM 0 H SER A 62 57.675 18.814 -13.328 1.00 0.00 H new ATOM 0 HA SER A 62 59.126 16.767 -11.880 1.00 0.00 H new ATOM 0 HB2 SER A 62 59.110 19.625 -10.852 1.00 0.00 H new ATOM 0 HB3 SER A 62 59.647 18.218 -9.957 1.00 0.00 H new ATOM 0 HG SER A 62 60.941 18.217 -12.319 1.00 0.00 H new ATOM 895 N SER A 63 56.657 16.475 -11.418 1.00 0.00 N ATOM 896 CA SER A 63 55.339 16.208 -10.868 1.00 0.00 C ATOM 897 C SER A 63 55.369 14.925 -10.036 1.00 0.00 C ATOM 898 O SER A 63 55.051 14.944 -8.848 1.00 0.00 O ATOM 899 CB SER A 63 54.292 16.098 -11.978 1.00 0.00 C ATOM 900 OG SER A 63 52.964 16.187 -11.470 1.00 0.00 O ATOM 0 H SER A 63 57.038 15.725 -11.994 1.00 0.00 H new ATOM 0 HA SER A 63 55.061 17.043 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 63 54.454 16.890 -12.709 1.00 0.00 H new ATOM 0 HB3 SER A 63 54.417 15.150 -12.502 1.00 0.00 H new ATOM 0 HG SER A 63 52.371 15.618 -12.003 1.00 0.00 H new ATOM 906 N GLY A 64 55.753 13.840 -10.693 1.00 0.00 N ATOM 907 CA GLY A 64 55.828 12.550 -10.029 1.00 0.00 C ATOM 908 C GLY A 64 56.108 11.431 -11.035 1.00 0.00 C ATOM 909 O GLY A 64 56.366 10.293 -10.646 1.00 0.00 O ATOM 0 H GLY A 64 56.016 13.828 -11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 64 56.614 12.571 -9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 64 54.892 12.350 -9.508 1.00 0.00 H new TER 913 GLY A 64