USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HD1:sc= -0.614 K(o=-0.81,f=-7.5!) USER MOD Set 1.2: A 48 THR OG1 : rot 3:sc= 0.828 USER MOD Set 1.3: A 61 MET CE :methyl -172:sc= -1.09 (180deg=-0.868) USER MOD Set 1.4: A 83 HIS : no HE2:sc= 0.0625 K(o=-0.81,f=-4.2!) USER MOD Set 2.1: A 15 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 2.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 46:sc= -0.22 USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 81:sc= 1.16 USER MOD Single : A 24 ASN : amide:sc= 0.513 K(o=0.51,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot 92:sc= 1.09 USER MOD Single : A 50 MET CE :methyl 171:sc= 0 (180deg=-0.11) USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= 0.0942 (180deg=-2.17!) USER MOD Single : A 57 LYS NZ :NH3+ -143:sc= -0.535! (180deg=-1.6!) USER MOD Single : A 59 MET CE :methyl -139:sc= 0 (180deg=-0.854) USER MOD Single : A 72 LYS NZ :NH3+ 133:sc= 0.722 (180deg=0.349!) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= 1.29 (180deg=0.679) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= 0.677 (180deg=0.578) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -133:sc= 1.44 (180deg=-0.703!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.682 1.160 5.488 1.00 1.57 N ATOM 56 CA GLU A 5 9.131 1.083 6.841 1.00 1.10 C ATOM 57 C GLU A 5 7.599 0.977 6.804 1.00 0.96 C ATOM 58 O GLU A 5 6.889 1.928 6.478 1.00 1.37 O ATOM 59 CB GLU A 5 9.634 2.313 7.599 1.00 1.98 C ATOM 60 CG GLU A 5 9.418 2.295 9.114 1.00 2.95 C ATOM 61 CD GLU A 5 10.019 3.529 9.804 1.00 3.79 C ATOM 62 OE1 GLU A 5 10.820 4.258 9.159 1.00 3.97 O ATOM 63 OE2 GLU A 5 9.664 3.731 10.982 1.00 4.95 O ATOM 0 HA GLU A 5 9.464 0.184 7.359 1.00 1.10 H new ATOM 0 HB2 GLU A 5 10.701 2.426 7.404 1.00 1.98 H new ATOM 0 HB3 GLU A 5 9.141 3.195 7.191 1.00 1.98 H new ATOM 0 HG2 GLU A 5 8.350 2.247 9.326 1.00 2.95 H new ATOM 0 HG3 GLU A 5 9.866 1.394 9.532 1.00 2.95 H new ATOM 70 N GLY A 6 7.089 -0.229 7.051 1.00 1.04 N ATOM 71 CA GLY A 6 5.671 -0.570 6.972 1.00 1.07 C ATOM 72 C GLY A 6 5.291 -1.832 7.734 1.00 1.07 C ATOM 73 O GLY A 6 6.134 -2.477 8.350 1.00 1.35 O ATOM 0 H GLY A 6 7.672 -1.021 7.321 1.00 1.04 H new ATOM 0 HA2 GLY A 6 5.086 0.265 7.358 1.00 1.07 H new ATOM 0 HA3 GLY A 6 5.396 -0.694 5.925 1.00 1.07 H new ATOM 77 N TRP A 7 4.012 -2.206 7.634 1.00 0.97 N ATOM 78 CA TRP A 7 3.468 -3.493 8.054 1.00 0.90 C ATOM 79 C TRP A 7 2.200 -3.855 7.255 1.00 0.84 C ATOM 80 O TRP A 7 1.529 -2.989 6.694 1.00 0.93 O ATOM 81 CB TRP A 7 3.210 -3.477 9.567 1.00 1.08 C ATOM 82 CG TRP A 7 2.120 -2.586 10.078 1.00 1.17 C ATOM 83 CD1 TRP A 7 0.871 -2.993 10.390 1.00 1.31 C ATOM 84 CD2 TRP A 7 2.166 -1.166 10.423 1.00 1.46 C ATOM 85 NE1 TRP A 7 0.145 -1.935 10.889 1.00 1.53 N ATOM 86 CE2 TRP A 7 0.898 -0.787 10.958 1.00 1.66 C ATOM 87 CE3 TRP A 7 3.162 -0.164 10.370 1.00 1.80 C ATOM 88 CZ2 TRP A 7 0.630 0.508 11.426 1.00 2.09 C ATOM 89 CZ3 TRP A 7 2.902 1.143 10.827 1.00 2.27 C ATOM 90 CH2 TRP A 7 1.641 1.483 11.355 1.00 2.39 C ATOM 0 H TRP A 7 3.300 -1.591 7.241 1.00 0.97 H new ATOM 0 HA TRP A 7 4.200 -4.272 7.841 1.00 0.90 H new ATOM 0 HB2 TRP A 7 2.984 -4.496 9.879 1.00 1.08 H new ATOM 0 HB3 TRP A 7 4.138 -3.190 10.062 1.00 1.08 H new ATOM 0 HD1 TRP A 7 0.497 -3.999 10.267 1.00 1.31 H new ATOM 0 HE1 TRP A 7 -0.833 -1.996 11.173 1.00 1.53 H new ATOM 0 HE3 TRP A 7 4.137 -0.404 9.973 1.00 1.80 H new ATOM 0 HZ2 TRP A 7 -0.339 0.753 11.835 1.00 2.09 H new ATOM 0 HZ3 TRP A 7 3.678 1.892 10.772 1.00 2.27 H new ATOM 0 HH2 TRP A 7 1.452 2.488 11.704 1.00 2.39 H new ATOM 101 N VAL A 8 1.837 -5.136 7.230 1.00 0.84 N ATOM 102 CA VAL A 8 0.518 -5.621 6.779 1.00 0.94 C ATOM 103 C VAL A 8 -0.337 -5.819 8.035 1.00 1.11 C ATOM 104 O VAL A 8 0.216 -6.162 9.078 1.00 1.34 O ATOM 105 CB VAL A 8 0.629 -6.950 5.992 1.00 0.99 C ATOM 106 CG1 VAL A 8 -0.687 -7.285 5.270 1.00 1.15 C ATOM 107 CG2 VAL A 8 1.767 -6.940 4.958 1.00 1.00 C ATOM 0 H VAL A 8 2.459 -5.888 7.527 1.00 0.84 H new ATOM 0 HA VAL A 8 0.070 -4.896 6.100 1.00 0.94 H new ATOM 0 HB VAL A 8 0.850 -7.713 6.739 1.00 0.99 H new ATOM 0 HG11 VAL A 8 -0.575 -8.224 4.727 1.00 1.15 H new ATOM 0 HG12 VAL A 8 -1.489 -7.382 6.002 1.00 1.15 H new ATOM 0 HG13 VAL A 8 -0.931 -6.487 4.569 1.00 1.15 H new ATOM 0 HG21 VAL A 8 1.795 -7.898 4.438 1.00 1.00 H new ATOM 0 HG22 VAL A 8 1.596 -6.141 4.237 1.00 1.00 H new ATOM 0 HG23 VAL A 8 2.718 -6.774 5.465 1.00 1.00 H new ATOM 117 N ARG A 9 -1.658 -5.597 7.973 1.00 1.25 N ATOM 118 CA ARG A 9 -2.518 -5.735 9.160 1.00 1.50 C ATOM 119 C ARG A 9 -2.784 -7.215 9.514 1.00 1.44 C ATOM 120 O ARG A 9 -1.938 -7.886 10.095 1.00 2.42 O ATOM 121 CB ARG A 9 -3.765 -4.840 9.047 1.00 1.91 C ATOM 122 CG ARG A 9 -4.611 -4.871 10.337 1.00 2.79 C ATOM 123 CD ARG A 9 -5.605 -3.711 10.427 1.00 2.81 C ATOM 124 NE ARG A 9 -4.968 -2.500 10.972 1.00 3.40 N ATOM 125 CZ ARG A 9 -5.569 -1.380 11.342 1.00 4.29 C ATOM 126 NH1 ARG A 9 -6.849 -1.154 11.111 1.00 4.72 N ATOM 127 NH2 ARG A 9 -4.879 -0.452 11.962 1.00 5.40 N ATOM 0 H ARG A 9 -2.151 -5.324 7.123 1.00 1.25 H new ATOM 0 HA ARG A 9 -1.984 -5.356 10.032 1.00 1.50 H new ATOM 0 HB2 ARG A 9 -3.459 -3.815 8.837 1.00 1.91 H new ATOM 0 HB3 ARG A 9 -4.374 -5.169 8.205 1.00 1.91 H new ATOM 0 HG2 ARG A 9 -5.156 -5.814 10.385 1.00 2.79 H new ATOM 0 HG3 ARG A 9 -3.947 -4.842 11.201 1.00 2.79 H new ATOM 0 HD2 ARG A 9 -6.009 -3.498 9.437 1.00 2.81 H new ATOM 0 HD3 ARG A 9 -6.445 -3.998 11.059 1.00 2.81 H new ATOM 0 HE ARG A 9 -3.954 -2.527 11.076 1.00 3.40 H new ATOM 0 HH11 ARG A 9 -7.412 -1.856 10.631 1.00 4.72 H new ATOM 0 HH12 ARG A 9 -7.275 -0.277 11.412 1.00 4.72 H new ATOM 0 HH21 ARG A 9 -3.888 -0.597 12.155 1.00 5.40 H new ATOM 0 HH22 ARG A 9 -5.334 0.414 12.251 1.00 5.40 H new ATOM 141 N PHE A 10 -3.966 -7.743 9.188 1.00 1.13 N ATOM 142 CA PHE A 10 -4.460 -9.040 9.653 1.00 1.13 C ATOM 143 C PHE A 10 -5.731 -9.373 8.875 1.00 1.03 C ATOM 144 O PHE A 10 -6.666 -8.568 8.852 1.00 1.20 O ATOM 145 CB PHE A 10 -4.728 -8.996 11.173 1.00 1.30 C ATOM 146 CG PHE A 10 -5.050 -10.346 11.793 1.00 1.32 C ATOM 147 CD1 PHE A 10 -6.278 -10.980 11.525 1.00 2.20 C ATOM 148 CD2 PHE A 10 -4.121 -10.969 12.649 1.00 2.43 C ATOM 149 CE1 PHE A 10 -6.553 -12.249 12.061 1.00 2.08 C ATOM 150 CE2 PHE A 10 -4.409 -12.229 13.206 1.00 2.75 C ATOM 151 CZ PHE A 10 -5.618 -12.876 12.898 1.00 1.70 C ATOM 0 H PHE A 10 -4.626 -7.265 8.574 1.00 1.13 H new ATOM 0 HA PHE A 10 -3.715 -9.816 9.478 1.00 1.13 H new ATOM 0 HB2 PHE A 10 -3.853 -8.580 11.672 1.00 1.30 H new ATOM 0 HB3 PHE A 10 -5.557 -8.315 11.364 1.00 1.30 H new ATOM 0 HD1 PHE A 10 -7.012 -10.488 10.904 1.00 2.20 H new ATOM 0 HD2 PHE A 10 -3.186 -10.479 12.878 1.00 2.43 H new ATOM 0 HE1 PHE A 10 -7.485 -12.742 11.828 1.00 2.08 H new ATOM 0 HE2 PHE A 10 -3.700 -12.699 13.871 1.00 2.75 H new ATOM 0 HZ PHE A 10 -5.827 -13.854 13.305 1.00 1.70 H new ATOM 161 N SER A 11 -5.786 -10.555 8.264 1.00 0.89 N ATOM 162 CA SER A 11 -6.817 -10.898 7.275 1.00 0.76 C ATOM 163 C SER A 11 -6.626 -12.326 6.729 1.00 0.83 C ATOM 164 O SER A 11 -5.672 -12.548 5.978 1.00 1.15 O ATOM 165 CB SER A 11 -6.812 -9.901 6.097 1.00 1.07 C ATOM 166 OG SER A 11 -5.490 -9.561 5.723 1.00 2.79 O ATOM 0 H SER A 11 -5.118 -11.306 8.438 1.00 0.89 H new ATOM 0 HA SER A 11 -7.776 -10.843 7.790 1.00 0.76 H new ATOM 0 HB2 SER A 11 -7.333 -10.337 5.245 1.00 1.07 H new ATOM 0 HB3 SER A 11 -7.357 -9.000 6.377 1.00 1.07 H new ATOM 0 HG SER A 11 -4.946 -10.374 5.670 1.00 2.79 H new ATOM 172 N PRO A 12 -7.520 -13.286 7.043 1.00 0.85 N ATOM 173 CA PRO A 12 -7.457 -14.632 6.473 1.00 1.01 C ATOM 174 C PRO A 12 -7.890 -14.672 5.002 1.00 0.96 C ATOM 175 O PRO A 12 -7.391 -15.488 4.234 1.00 1.17 O ATOM 176 CB PRO A 12 -8.389 -15.477 7.344 1.00 1.19 C ATOM 177 CG PRO A 12 -9.427 -14.477 7.849 1.00 1.16 C ATOM 178 CD PRO A 12 -8.606 -13.200 8.017 1.00 1.01 C ATOM 0 HA PRO A 12 -6.433 -15.006 6.473 1.00 1.01 H new ATOM 0 HB2 PRO A 12 -8.853 -16.279 6.771 1.00 1.19 H new ATOM 0 HB3 PRO A 12 -7.851 -15.945 8.168 1.00 1.19 H new ATOM 0 HG2 PRO A 12 -10.242 -14.344 7.137 1.00 1.16 H new ATOM 0 HG3 PRO A 12 -9.875 -14.798 8.790 1.00 1.16 H new ATOM 0 HD2 PRO A 12 -9.219 -12.316 7.840 1.00 1.01 H new ATOM 0 HD3 PRO A 12 -8.215 -13.119 9.031 1.00 1.01 H new ATOM 186 N GLY A 13 -8.821 -13.798 4.619 1.00 0.90 N ATOM 187 CA GLY A 13 -9.385 -13.693 3.272 1.00 1.00 C ATOM 188 C GLY A 13 -10.791 -13.079 3.290 1.00 1.05 C ATOM 189 O GLY A 13 -11.295 -12.775 4.370 1.00 1.06 O ATOM 0 H GLY A 13 -9.219 -13.116 5.264 1.00 0.90 H new ATOM 0 HA2 GLY A 13 -8.730 -13.083 2.650 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -9.426 -14.683 2.817 1.00 1.00 H new ATOM 193 N PRO A 14 -11.436 -12.875 2.123 1.00 1.16 N ATOM 194 CA PRO A 14 -10.918 -13.111 0.775 1.00 1.24 C ATOM 195 C PRO A 14 -9.996 -11.982 0.280 1.00 1.16 C ATOM 196 O PRO A 14 -9.542 -12.025 -0.861 1.00 1.36 O ATOM 197 CB PRO A 14 -12.176 -13.223 -0.096 1.00 1.42 C ATOM 198 CG PRO A 14 -13.133 -12.231 0.565 1.00 1.41 C ATOM 199 CD PRO A 14 -12.806 -12.383 2.049 1.00 1.30 C ATOM 0 HA PRO A 14 -10.293 -14.004 0.740 1.00 1.24 H new ATOM 0 HB2 PRO A 14 -11.974 -12.960 -1.134 1.00 1.42 H new ATOM 0 HB3 PRO A 14 -12.579 -14.236 -0.096 1.00 1.42 H new ATOM 0 HG2 PRO A 14 -12.964 -11.212 0.216 1.00 1.41 H new ATOM 0 HG3 PRO A 14 -14.175 -12.472 0.354 1.00 1.41 H new ATOM 0 HD2 PRO A 14 -12.904 -11.429 2.567 1.00 1.30 H new ATOM 0 HD3 PRO A 14 -13.494 -13.079 2.529 1.00 1.30 H new ATOM 207 N ASN A 15 -9.714 -10.963 1.103 1.00 0.93 N ATOM 208 CA ASN A 15 -8.802 -9.871 0.772 1.00 0.75 C ATOM 209 C ASN A 15 -8.141 -9.270 2.024 1.00 0.66 C ATOM 210 O ASN A 15 -8.533 -9.553 3.156 1.00 0.76 O ATOM 211 CB ASN A 15 -9.529 -8.806 -0.070 1.00 0.83 C ATOM 212 CG ASN A 15 -10.609 -8.068 0.708 1.00 1.20 C ATOM 213 OD1 ASN A 15 -10.339 -7.173 1.493 1.00 2.32 O ATOM 214 ND2 ASN A 15 -11.865 -8.411 0.509 1.00 1.71 N ATOM 0 H ASN A 15 -10.123 -10.877 2.033 1.00 0.93 H new ATOM 0 HA ASN A 15 -7.990 -10.279 0.170 1.00 0.75 H new ATOM 0 HB2 ASN A 15 -8.801 -8.086 -0.442 1.00 0.83 H new ATOM 0 HB3 ASN A 15 -9.978 -9.284 -0.941 1.00 0.83 H new ATOM 0 HD21 ASN A 15 -12.611 -7.929 1.011 1.00 1.71 H new ATOM 0 HD22 ASN A 15 -12.092 -9.159 -0.147 1.00 1.71 H new ATOM 221 N ALA A 16 -7.114 -8.458 1.786 1.00 0.56 N ATOM 222 CA ALA A 16 -6.187 -7.886 2.760 1.00 0.39 C ATOM 223 C ALA A 16 -5.734 -6.479 2.325 1.00 0.33 C ATOM 224 O ALA A 16 -6.031 -6.038 1.213 1.00 0.40 O ATOM 225 CB ALA A 16 -4.993 -8.841 2.894 1.00 0.53 C ATOM 0 H ALA A 16 -6.891 -8.160 0.836 1.00 0.56 H new ATOM 0 HA ALA A 16 -6.678 -7.773 3.727 1.00 0.39 H new ATOM 0 HB1 ALA A 16 -4.284 -8.438 3.617 1.00 0.53 H new ATOM 0 HB2 ALA A 16 -5.343 -9.816 3.234 1.00 0.53 H new ATOM 0 HB3 ALA A 16 -4.503 -8.949 1.926 1.00 0.53 H new ATOM 231 N ALA A 17 -4.986 -5.783 3.182 1.00 0.38 N ATOM 232 CA ALA A 17 -4.458 -4.442 2.923 1.00 0.44 C ATOM 233 C ALA A 17 -3.098 -4.260 3.621 1.00 0.60 C ATOM 234 O ALA A 17 -2.932 -4.707 4.758 1.00 0.90 O ATOM 235 CB ALA A 17 -5.478 -3.408 3.421 1.00 0.46 C ATOM 0 H ALA A 17 -4.724 -6.145 4.099 1.00 0.38 H new ATOM 0 HA ALA A 17 -4.300 -4.303 1.854 1.00 0.44 H new ATOM 0 HB1 ALA A 17 -5.098 -2.403 3.235 1.00 0.46 H new ATOM 0 HB2 ALA A 17 -6.421 -3.543 2.892 1.00 0.46 H new ATOM 0 HB3 ALA A 17 -5.640 -3.542 4.491 1.00 0.46 H new ATOM 241 N ALA A 18 -2.141 -3.614 2.952 1.00 0.57 N ATOM 242 CA ALA A 18 -0.759 -3.464 3.393 1.00 0.65 C ATOM 243 C ALA A 18 -0.298 -2.000 3.317 1.00 0.65 C ATOM 244 O ALA A 18 -0.604 -1.276 2.364 1.00 0.69 O ATOM 245 CB ALA A 18 0.114 -4.373 2.520 1.00 0.75 C ATOM 0 H ALA A 18 -2.318 -3.165 2.054 1.00 0.57 H new ATOM 0 HA ALA A 18 -0.670 -3.756 4.439 1.00 0.65 H new ATOM 0 HB1 ALA A 18 1.156 -4.282 2.828 1.00 0.75 H new ATOM 0 HB2 ALA A 18 -0.209 -5.408 2.635 1.00 0.75 H new ATOM 0 HB3 ALA A 18 0.017 -4.077 1.475 1.00 0.75 H new ATOM 251 N TYR A 19 0.464 -1.588 4.325 1.00 0.71 N ATOM 252 CA TYR A 19 0.975 -0.232 4.547 1.00 0.75 C ATOM 253 C TYR A 19 2.511 -0.190 4.453 1.00 0.84 C ATOM 254 O TYR A 19 3.171 -1.084 4.982 1.00 1.55 O ATOM 255 CB TYR A 19 0.578 0.224 5.968 1.00 0.88 C ATOM 256 CG TYR A 19 -0.787 -0.199 6.475 1.00 1.24 C ATOM 257 CD1 TYR A 19 -1.962 0.117 5.762 1.00 1.53 C ATOM 258 CD2 TYR A 19 -0.871 -0.891 7.697 1.00 2.90 C ATOM 259 CE1 TYR A 19 -3.217 -0.277 6.273 1.00 1.69 C ATOM 260 CE2 TYR A 19 -2.118 -1.262 8.224 1.00 3.33 C ATOM 261 CZ TYR A 19 -3.296 -0.958 7.511 1.00 2.17 C ATOM 262 OH TYR A 19 -4.506 -1.280 8.042 1.00 2.65 O ATOM 0 H TYR A 19 0.763 -2.231 5.058 1.00 0.71 H new ATOM 0 HA TYR A 19 0.551 0.419 3.782 1.00 0.75 H new ATOM 0 HB2 TYR A 19 1.328 -0.150 6.665 1.00 0.88 H new ATOM 0 HB3 TYR A 19 0.628 1.312 6.000 1.00 0.88 H new ATOM 0 HD1 TYR A 19 -1.902 0.658 4.829 1.00 1.53 H new ATOM 0 HD2 TYR A 19 0.032 -1.139 8.235 1.00 2.90 H new ATOM 0 HE1 TYR A 19 -4.118 -0.059 5.719 1.00 1.69 H new ATOM 0 HE2 TYR A 19 -2.175 -1.778 9.171 1.00 3.33 H new ATOM 0 HH TYR A 19 -5.152 -1.426 7.320 1.00 2.65 H new ATOM 272 N LEU A 20 3.094 0.874 3.877 1.00 1.18 N ATOM 273 CA LEU A 20 4.553 1.072 3.751 1.00 1.28 C ATOM 274 C LEU A 20 4.984 2.510 3.440 1.00 1.12 C ATOM 275 O LEU A 20 4.297 3.234 2.717 1.00 0.86 O ATOM 276 CB LEU A 20 5.142 0.065 2.736 1.00 1.42 C ATOM 277 CG LEU A 20 4.764 0.311 1.258 1.00 1.27 C ATOM 278 CD1 LEU A 20 5.812 1.159 0.517 1.00 1.98 C ATOM 279 CD2 LEU A 20 4.600 -1.030 0.530 1.00 1.68 C ATOM 0 H LEU A 20 2.554 1.640 3.476 1.00 1.18 H new ATOM 0 HA LEU A 20 4.968 0.877 4.740 1.00 1.28 H new ATOM 0 HB2 LEU A 20 6.228 0.082 2.823 1.00 1.42 H new ATOM 0 HB3 LEU A 20 4.816 -0.937 3.014 1.00 1.42 H new ATOM 0 HG LEU A 20 3.824 0.864 1.258 1.00 1.27 H new ATOM 0 HD11 LEU A 20 5.499 1.303 -0.517 1.00 1.98 H new ATOM 0 HD12 LEU A 20 5.907 2.129 1.005 1.00 1.98 H new ATOM 0 HD13 LEU A 20 6.774 0.647 0.537 1.00 1.98 H new ATOM 0 HD21 LEU A 20 4.334 -0.849 -0.511 1.00 1.68 H new ATOM 0 HD22 LEU A 20 5.537 -1.585 0.573 1.00 1.68 H new ATOM 0 HD23 LEU A 20 3.812 -1.611 1.010 1.00 1.68 H new ATOM 291 N THR A 21 6.152 2.913 3.945 1.00 1.41 N ATOM 292 CA THR A 21 6.778 4.220 3.695 1.00 1.40 C ATOM 293 C THR A 21 7.477 4.226 2.341 1.00 1.47 C ATOM 294 O THR A 21 8.458 3.512 2.149 1.00 1.85 O ATOM 295 CB THR A 21 7.749 4.565 4.829 1.00 1.51 C ATOM 296 OG1 THR A 21 6.985 4.632 6.010 1.00 1.79 O ATOM 297 CG2 THR A 21 8.456 5.908 4.626 1.00 1.86 C ATOM 0 H THR A 21 6.710 2.321 4.560 1.00 1.41 H new ATOM 0 HA THR A 21 6.003 4.986 3.670 1.00 1.40 H new ATOM 0 HB THR A 21 8.527 3.803 4.866 1.00 1.51 H new ATOM 0 HG1 THR A 21 6.832 3.727 6.352 1.00 1.79 H new ATOM 0 HG21 THR A 21 9.130 6.095 5.462 1.00 1.86 H new ATOM 0 HG22 THR A 21 9.028 5.882 3.698 1.00 1.86 H new ATOM 0 HG23 THR A 21 7.714 6.705 4.573 1.00 1.86 H new ATOM 305 N LEU A 22 7.003 5.068 1.417 1.00 1.44 N ATOM 306 CA LEU A 22 7.617 5.294 0.101 1.00 1.69 C ATOM 307 C LEU A 22 8.552 6.514 0.157 1.00 1.49 C ATOM 308 O LEU A 22 8.125 7.607 0.538 1.00 1.50 O ATOM 309 CB LEU A 22 6.491 5.471 -0.948 1.00 2.18 C ATOM 310 CG LEU A 22 6.816 5.198 -2.429 1.00 2.69 C ATOM 311 CD1 LEU A 22 7.925 6.083 -3.012 1.00 3.36 C ATOM 312 CD2 LEU A 22 7.158 3.724 -2.657 1.00 2.93 C ATOM 0 H LEU A 22 6.162 5.625 1.565 1.00 1.44 H new ATOM 0 HA LEU A 22 8.227 4.438 -0.188 1.00 1.69 H new ATOM 0 HB2 LEU A 22 5.667 4.817 -0.663 1.00 2.18 H new ATOM 0 HB3 LEU A 22 6.125 6.495 -0.872 1.00 2.18 H new ATOM 0 HG LEU A 22 5.903 5.457 -2.965 1.00 2.69 H new ATOM 0 HD11 LEU A 22 8.087 5.822 -4.058 1.00 3.36 H new ATOM 0 HD12 LEU A 22 7.630 7.130 -2.941 1.00 3.36 H new ATOM 0 HD13 LEU A 22 8.847 5.927 -2.452 1.00 3.36 H new ATOM 0 HD21 LEU A 22 7.383 3.561 -3.711 1.00 2.93 H new ATOM 0 HD22 LEU A 22 8.026 3.455 -2.055 1.00 2.93 H new ATOM 0 HD23 LEU A 22 6.309 3.105 -2.367 1.00 2.93 H new ATOM 324 N GLU A 23 9.805 6.336 -0.261 1.00 1.40 N ATOM 325 CA GLU A 23 10.826 7.384 -0.367 1.00 1.27 C ATOM 326 C GLU A 23 11.399 7.451 -1.791 1.00 1.14 C ATOM 327 O GLU A 23 11.613 6.425 -2.436 1.00 1.27 O ATOM 328 CB GLU A 23 11.937 7.098 0.656 1.00 1.52 C ATOM 329 CG GLU A 23 13.022 8.187 0.726 1.00 2.87 C ATOM 330 CD GLU A 23 14.012 7.902 1.854 1.00 3.29 C ATOM 331 OE1 GLU A 23 13.557 7.502 2.954 1.00 3.71 O ATOM 332 OE2 GLU A 23 15.241 8.037 1.645 1.00 4.19 O ATOM 0 H GLU A 23 10.153 5.421 -0.547 1.00 1.40 H new ATOM 0 HA GLU A 23 10.374 8.353 -0.153 1.00 1.27 H new ATOM 0 HB2 GLU A 23 11.487 6.984 1.642 1.00 1.52 H new ATOM 0 HB3 GLU A 23 12.408 6.147 0.409 1.00 1.52 H new ATOM 0 HG2 GLU A 23 13.553 8.238 -0.225 1.00 2.87 H new ATOM 0 HG3 GLU A 23 12.556 9.160 0.883 1.00 2.87 H new ATOM 339 N ASN A 24 11.687 8.668 -2.262 1.00 1.06 N ATOM 340 CA ASN A 24 12.401 8.932 -3.503 1.00 0.95 C ATOM 341 C ASN A 24 13.857 9.351 -3.196 1.00 0.96 C ATOM 342 O ASN A 24 14.114 10.529 -2.945 1.00 1.00 O ATOM 343 CB ASN A 24 11.659 10.031 -4.278 1.00 0.93 C ATOM 344 CG ASN A 24 12.245 10.236 -5.669 1.00 0.91 C ATOM 345 OD1 ASN A 24 13.283 9.682 -6.021 1.00 1.41 O ATOM 346 ND2 ASN A 24 11.578 11.008 -6.501 1.00 1.07 N ATOM 0 H ASN A 24 11.419 9.520 -1.770 1.00 1.06 H new ATOM 0 HA ASN A 24 12.436 8.031 -4.115 1.00 0.95 H new ATOM 0 HB2 ASN A 24 10.605 9.767 -4.363 1.00 0.93 H new ATOM 0 HB3 ASN A 24 11.710 10.966 -3.721 1.00 0.93 H new ATOM 0 HD21 ASN A 24 11.922 11.152 -7.450 1.00 1.07 H new ATOM 0 HD22 ASN A 24 10.717 11.462 -6.196 1.00 1.07 H new ATOM 353 N PRO A 25 14.828 8.422 -3.211 1.00 1.04 N ATOM 354 CA PRO A 25 16.237 8.747 -2.987 1.00 1.12 C ATOM 355 C PRO A 25 16.922 9.408 -4.197 1.00 1.06 C ATOM 356 O PRO A 25 18.060 9.859 -4.065 1.00 1.13 O ATOM 357 CB PRO A 25 16.890 7.406 -2.636 1.00 1.32 C ATOM 358 CG PRO A 25 16.044 6.399 -3.417 1.00 1.31 C ATOM 359 CD PRO A 25 14.644 6.980 -3.297 1.00 1.17 C ATOM 0 HA PRO A 25 16.339 9.491 -2.197 1.00 1.12 H new ATOM 0 HB2 PRO A 25 17.937 7.375 -2.939 1.00 1.32 H new ATOM 0 HB3 PRO A 25 16.862 7.211 -1.564 1.00 1.32 H new ATOM 0 HG2 PRO A 25 16.363 6.321 -4.456 1.00 1.31 H new ATOM 0 HG3 PRO A 25 16.106 5.399 -2.989 1.00 1.31 H new ATOM 0 HD2 PRO A 25 14.033 6.713 -4.159 1.00 1.17 H new ATOM 0 HD3 PRO A 25 14.134 6.596 -2.414 1.00 1.17 H new ATOM 367 N GLY A 26 16.269 9.478 -5.366 1.00 1.00 N ATOM 368 CA GLY A 26 16.828 10.059 -6.578 1.00 0.99 C ATOM 369 C GLY A 26 16.645 11.569 -6.634 1.00 0.99 C ATOM 370 O GLY A 26 16.064 12.196 -5.750 1.00 1.33 O ATOM 0 H GLY A 26 15.321 9.124 -5.490 1.00 1.00 H new ATOM 0 HA2 GLY A 26 17.890 9.822 -6.635 1.00 0.99 H new ATOM 0 HA3 GLY A 26 16.353 9.605 -7.448 1.00 0.99 H new ATOM 374 N ASP A 27 17.179 12.139 -7.703 1.00 1.02 N ATOM 375 CA ASP A 27 17.225 13.565 -8.012 1.00 1.44 C ATOM 376 C ASP A 27 16.173 13.942 -9.075 1.00 1.39 C ATOM 377 O ASP A 27 15.983 15.102 -9.428 1.00 1.64 O ATOM 378 CB ASP A 27 18.659 13.808 -8.484 1.00 1.86 C ATOM 379 CG ASP A 27 19.641 13.603 -7.326 1.00 2.31 C ATOM 380 OD1 ASP A 27 20.048 12.440 -7.093 1.00 2.60 O ATOM 381 OD2 ASP A 27 19.857 14.550 -6.542 1.00 3.23 O ATOM 0 H ASP A 27 17.624 11.580 -8.431 1.00 1.02 H new ATOM 0 HA ASP A 27 16.980 14.191 -7.154 1.00 1.44 H new ATOM 0 HB2 ASP A 27 18.901 13.127 -9.300 1.00 1.86 H new ATOM 0 HB3 ASP A 27 18.754 14.821 -8.875 1.00 1.86 H new ATOM 386 N LEU A 28 15.461 12.916 -9.550 1.00 1.10 N ATOM 387 CA LEU A 28 14.377 12.917 -10.516 1.00 0.99 C ATOM 388 C LEU A 28 13.057 12.563 -9.788 1.00 0.98 C ATOM 389 O LEU A 28 13.107 11.965 -8.711 1.00 1.10 O ATOM 390 CB LEU A 28 14.683 11.867 -11.592 1.00 1.07 C ATOM 391 CG LEU A 28 16.137 11.727 -12.090 1.00 2.17 C ATOM 392 CD1 LEU A 28 16.752 13.047 -12.580 1.00 4.24 C ATOM 393 CD2 LEU A 28 17.098 10.951 -11.172 1.00 3.54 C ATOM 0 H LEU A 28 15.657 11.968 -9.228 1.00 1.10 H new ATOM 0 HA LEU A 28 14.277 13.897 -10.982 1.00 0.99 H new ATOM 0 HB2 LEU A 28 14.369 10.897 -11.207 1.00 1.07 H new ATOM 0 HB3 LEU A 28 14.056 12.085 -12.456 1.00 1.07 H new ATOM 0 HG LEU A 28 16.017 11.081 -12.960 1.00 2.17 H new ATOM 0 HD11 LEU A 28 17.774 12.870 -12.914 1.00 4.24 H new ATOM 0 HD12 LEU A 28 16.162 13.438 -13.409 1.00 4.24 H new ATOM 0 HD13 LEU A 28 16.757 13.771 -11.765 1.00 4.24 H new ATOM 0 HD21 LEU A 28 18.088 10.919 -11.626 1.00 3.54 H new ATOM 0 HD22 LEU A 28 17.159 11.449 -10.204 1.00 3.54 H new ATOM 0 HD23 LEU A 28 16.729 9.935 -11.034 1.00 3.54 H new ATOM 405 N PRO A 29 11.870 12.840 -10.357 1.00 0.93 N ATOM 406 CA PRO A 29 10.602 12.491 -9.730 1.00 0.90 C ATOM 407 C PRO A 29 10.280 11.003 -9.942 1.00 0.85 C ATOM 408 O PRO A 29 10.609 10.433 -10.983 1.00 0.94 O ATOM 409 CB PRO A 29 9.573 13.414 -10.386 1.00 0.99 C ATOM 410 CG PRO A 29 10.133 13.630 -11.793 1.00 1.03 C ATOM 411 CD PRO A 29 11.651 13.476 -11.642 1.00 0.98 C ATOM 0 HA PRO A 29 10.615 12.627 -8.649 1.00 0.90 H new ATOM 0 HB2 PRO A 29 8.584 12.957 -10.413 1.00 0.99 H new ATOM 0 HB3 PRO A 29 9.475 14.355 -9.844 1.00 0.99 H new ATOM 0 HG2 PRO A 29 9.730 12.900 -12.495 1.00 1.03 H new ATOM 0 HG3 PRO A 29 9.872 14.617 -12.175 1.00 1.03 H new ATOM 0 HD2 PRO A 29 12.063 12.871 -12.450 1.00 0.98 H new ATOM 0 HD3 PRO A 29 12.146 14.446 -11.685 1.00 0.98 H new ATOM 419 N LEU A 30 9.617 10.381 -8.962 1.00 0.82 N ATOM 420 CA LEU A 30 9.114 9.005 -9.034 1.00 0.78 C ATOM 421 C LEU A 30 7.587 8.988 -9.055 1.00 0.70 C ATOM 422 O LEU A 30 6.906 9.799 -8.430 1.00 0.74 O ATOM 423 CB LEU A 30 9.602 8.160 -7.840 1.00 0.86 C ATOM 424 CG LEU A 30 10.866 7.303 -8.057 1.00 0.75 C ATOM 425 CD1 LEU A 30 12.010 8.011 -8.794 1.00 2.36 C ATOM 426 CD2 LEU A 30 11.349 6.734 -6.721 1.00 2.11 C ATOM 0 H LEU A 30 9.409 10.833 -8.072 1.00 0.82 H new ATOM 0 HA LEU A 30 9.502 8.573 -9.957 1.00 0.78 H new ATOM 0 HB2 LEU A 30 9.789 8.833 -7.003 1.00 0.86 H new ATOM 0 HB3 LEU A 30 8.791 7.497 -7.541 1.00 0.86 H new ATOM 0 HG LEU A 30 10.563 6.496 -8.724 1.00 0.75 H new ATOM 0 HD11 LEU A 30 12.853 7.328 -8.898 1.00 2.36 H new ATOM 0 HD12 LEU A 30 11.670 8.321 -9.782 1.00 2.36 H new ATOM 0 HD13 LEU A 30 12.321 8.888 -8.226 1.00 2.36 H new ATOM 0 HD21 LEU A 30 12.242 6.130 -6.884 1.00 2.11 H new ATOM 0 HD22 LEU A 30 11.584 7.552 -6.040 1.00 2.11 H new ATOM 0 HD23 LEU A 30 10.566 6.113 -6.285 1.00 2.11 H new ATOM 438 N ARG A 31 7.088 7.940 -9.699 1.00 0.63 N ATOM 439 CA ARG A 31 5.664 7.639 -9.875 1.00 0.54 C ATOM 440 C ARG A 31 5.426 6.138 -9.744 1.00 0.60 C ATOM 441 O ARG A 31 5.867 5.365 -10.601 1.00 0.72 O ATOM 442 CB ARG A 31 5.181 8.141 -11.249 1.00 0.52 C ATOM 443 CG ARG A 31 3.659 8.359 -11.261 1.00 0.64 C ATOM 444 CD ARG A 31 3.143 9.134 -12.484 1.00 0.67 C ATOM 445 NE ARG A 31 3.515 10.566 -12.450 1.00 1.11 N ATOM 446 CZ ARG A 31 3.982 11.335 -13.426 1.00 1.20 C ATOM 447 NH1 ARG A 31 4.160 10.910 -14.663 1.00 1.95 N ATOM 448 NH2 ARG A 31 4.298 12.577 -13.156 1.00 1.81 N ATOM 0 H ARG A 31 7.690 7.241 -10.135 1.00 0.63 H new ATOM 0 HA ARG A 31 5.096 8.152 -9.099 1.00 0.54 H new ATOM 0 HB2 ARG A 31 5.686 9.075 -11.495 1.00 0.52 H new ATOM 0 HB3 ARG A 31 5.453 7.419 -12.019 1.00 0.52 H new ATOM 0 HG2 ARG A 31 3.164 7.389 -11.225 1.00 0.64 H new ATOM 0 HG3 ARG A 31 3.373 8.897 -10.357 1.00 0.64 H new ATOM 0 HD2 ARG A 31 3.542 8.680 -13.391 1.00 0.67 H new ATOM 0 HD3 ARG A 31 2.058 9.046 -12.534 1.00 0.67 H new ATOM 0 HE ARG A 31 3.396 11.028 -11.548 1.00 1.11 H new ATOM 0 HH11 ARG A 31 3.935 9.946 -14.908 1.00 1.95 H new ATOM 0 HH12 ARG A 31 4.522 11.546 -15.374 1.00 1.95 H new ATOM 0 HH21 ARG A 31 4.184 12.938 -12.209 1.00 1.81 H new ATOM 0 HH22 ARG A 31 4.658 13.183 -13.893 1.00 1.81 H new ATOM 462 N LEU A 32 4.779 5.720 -8.661 1.00 0.58 N ATOM 463 CA LEU A 32 4.422 4.332 -8.374 1.00 0.58 C ATOM 464 C LEU A 32 3.070 4.035 -9.014 1.00 0.65 C ATOM 465 O LEU A 32 2.113 4.718 -8.694 1.00 0.78 O ATOM 466 CB LEU A 32 4.396 4.164 -6.846 1.00 0.53 C ATOM 467 CG LEU A 32 4.009 2.733 -6.414 1.00 0.76 C ATOM 468 CD1 LEU A 32 4.869 2.291 -5.225 1.00 1.68 C ATOM 469 CD2 LEU A 32 2.518 2.647 -6.044 1.00 1.98 C ATOM 0 H LEU A 32 4.476 6.363 -7.929 1.00 0.58 H new ATOM 0 HA LEU A 32 5.143 3.626 -8.787 1.00 0.58 H new ATOM 0 HB2 LEU A 32 5.377 4.409 -6.440 1.00 0.53 H new ATOM 0 HB3 LEU A 32 3.688 4.873 -6.418 1.00 0.53 H new ATOM 0 HG LEU A 32 4.189 2.066 -7.257 1.00 0.76 H new ATOM 0 HD11 LEU A 32 4.588 1.281 -4.928 1.00 1.68 H new ATOM 0 HD12 LEU A 32 5.921 2.306 -5.511 1.00 1.68 H new ATOM 0 HD13 LEU A 32 4.711 2.972 -4.389 1.00 1.68 H new ATOM 0 HD21 LEU A 32 2.276 1.627 -5.744 1.00 1.98 H new ATOM 0 HD22 LEU A 32 2.308 3.328 -5.219 1.00 1.98 H new ATOM 0 HD23 LEU A 32 1.912 2.925 -6.907 1.00 1.98 H new ATOM 481 N VAL A 33 2.966 3.025 -9.868 1.00 0.57 N ATOM 482 CA VAL A 33 1.728 2.706 -10.610 1.00 0.58 C ATOM 483 C VAL A 33 1.034 1.445 -10.057 1.00 0.52 C ATOM 484 O VAL A 33 -0.182 1.326 -10.162 1.00 0.53 O ATOM 485 CB VAL A 33 2.005 2.540 -12.125 1.00 0.65 C ATOM 486 CG1 VAL A 33 2.453 3.885 -12.737 1.00 0.66 C ATOM 487 CG2 VAL A 33 3.070 1.482 -12.462 1.00 0.70 C ATOM 0 H VAL A 33 3.738 2.392 -10.075 1.00 0.57 H new ATOM 0 HA VAL A 33 1.053 3.551 -10.470 1.00 0.58 H new ATOM 0 HB VAL A 33 1.061 2.199 -12.551 1.00 0.65 H new ATOM 0 HG11 VAL A 33 2.644 3.754 -13.802 1.00 0.66 H new ATOM 0 HG12 VAL A 33 1.667 4.628 -12.598 1.00 0.66 H new ATOM 0 HG13 VAL A 33 3.364 4.224 -12.244 1.00 0.66 H new ATOM 0 HG21 VAL A 33 3.202 1.430 -13.543 1.00 0.70 H new ATOM 0 HG22 VAL A 33 4.015 1.755 -11.994 1.00 0.70 H new ATOM 0 HG23 VAL A 33 2.748 0.510 -12.089 1.00 0.70 H new ATOM 497 N GLY A 34 1.792 0.500 -9.474 1.00 0.48 N ATOM 498 CA GLY A 34 1.267 -0.725 -8.857 1.00 0.45 C ATOM 499 C GLY A 34 2.222 -1.365 -7.857 1.00 0.45 C ATOM 500 O GLY A 34 3.289 -0.839 -7.542 1.00 0.47 O ATOM 0 H GLY A 34 2.808 0.571 -9.419 1.00 0.48 H new ATOM 0 HA2 GLY A 34 0.329 -0.494 -8.353 1.00 0.45 H new ATOM 0 HA3 GLY A 34 1.038 -1.447 -9.641 1.00 0.45 H new ATOM 504 N ALA A 35 1.818 -2.545 -7.398 1.00 0.45 N ATOM 505 CA ALA A 35 2.688 -3.516 -6.752 1.00 0.42 C ATOM 506 C ALA A 35 2.570 -4.896 -7.424 1.00 0.44 C ATOM 507 O ALA A 35 1.863 -5.084 -8.416 1.00 0.55 O ATOM 508 CB ALA A 35 2.383 -3.558 -5.243 1.00 0.51 C ATOM 0 H ALA A 35 0.850 -2.859 -7.468 1.00 0.45 H new ATOM 0 HA ALA A 35 3.728 -3.211 -6.870 1.00 0.42 H new ATOM 0 HB1 ALA A 35 3.035 -4.286 -4.760 1.00 0.51 H new ATOM 0 HB2 ALA A 35 2.555 -2.573 -4.810 1.00 0.51 H new ATOM 0 HB3 ALA A 35 1.343 -3.845 -5.090 1.00 0.51 H new ATOM 514 N ARG A 36 3.292 -5.842 -6.833 1.00 0.44 N ATOM 515 CA ARG A 36 3.272 -7.299 -6.967 1.00 0.50 C ATOM 516 C ARG A 36 3.585 -7.838 -5.558 1.00 0.44 C ATOM 517 O ARG A 36 4.275 -7.174 -4.782 1.00 0.54 O ATOM 518 CB ARG A 36 4.421 -7.724 -7.889 1.00 0.68 C ATOM 519 CG ARG A 36 4.191 -8.181 -9.331 1.00 1.34 C ATOM 520 CD ARG A 36 5.632 -8.440 -9.808 1.00 2.55 C ATOM 521 NE ARG A 36 5.774 -8.949 -11.173 1.00 3.45 N ATOM 522 CZ ARG A 36 6.970 -9.204 -11.702 1.00 4.81 C ATOM 523 NH1 ARG A 36 8.092 -9.015 -11.027 1.00 5.56 N ATOM 524 NH2 ARG A 36 7.052 -9.650 -12.936 1.00 5.87 N ATOM 0 H ARG A 36 4.003 -5.568 -6.155 1.00 0.44 H new ATOM 0 HA ARG A 36 2.324 -7.661 -7.364 1.00 0.50 H new ATOM 0 HB2 ARG A 36 5.112 -6.882 -7.935 1.00 0.68 H new ATOM 0 HB3 ARG A 36 4.942 -8.537 -7.383 1.00 0.68 H new ATOM 0 HG2 ARG A 36 3.575 -9.079 -9.383 1.00 1.34 H new ATOM 0 HG3 ARG A 36 3.693 -7.417 -9.928 1.00 1.34 H new ATOM 0 HD2 ARG A 36 6.193 -7.509 -9.728 1.00 2.55 H new ATOM 0 HD3 ARG A 36 6.097 -9.152 -9.126 1.00 2.55 H new ATOM 0 HE ARG A 36 4.937 -9.112 -11.733 1.00 3.45 H new ATOM 0 HH11 ARG A 36 8.058 -8.663 -10.070 1.00 5.56 H new ATOM 0 HH12 ARG A 36 8.991 -9.221 -11.463 1.00 5.56 H new ATOM 0 HH21 ARG A 36 6.203 -9.799 -13.482 1.00 5.87 H new ATOM 0 HH22 ARG A 36 7.964 -9.847 -13.347 1.00 5.87 H new ATOM 538 N THR A 37 3.177 -9.070 -5.251 1.00 0.45 N ATOM 539 CA THR A 37 3.549 -9.784 -4.015 1.00 0.45 C ATOM 540 C THR A 37 3.178 -11.259 -4.133 1.00 0.49 C ATOM 541 O THR A 37 2.090 -11.557 -4.635 1.00 0.65 O ATOM 542 CB THR A 37 2.960 -9.140 -2.753 1.00 0.50 C ATOM 543 OG1 THR A 37 3.231 -9.957 -1.645 1.00 0.63 O ATOM 544 CG2 THR A 37 1.451 -8.905 -2.796 1.00 0.59 C ATOM 0 H THR A 37 2.568 -9.615 -5.861 1.00 0.45 H new ATOM 0 HA THR A 37 4.630 -9.706 -3.901 1.00 0.45 H new ATOM 0 HB THR A 37 3.434 -8.161 -2.683 1.00 0.50 H new ATOM 0 HG1 THR A 37 4.072 -9.674 -1.228 1.00 0.63 H new ATOM 0 HG21 THR A 37 1.127 -8.447 -1.861 1.00 0.59 H new ATOM 0 HG22 THR A 37 1.209 -8.243 -3.627 1.00 0.59 H new ATOM 0 HG23 THR A 37 0.938 -9.857 -2.930 1.00 0.59 H new ATOM 552 N PRO A 38 4.051 -12.187 -3.695 1.00 0.64 N ATOM 553 CA PRO A 38 3.857 -13.613 -3.929 1.00 0.75 C ATOM 554 C PRO A 38 2.695 -14.202 -3.137 1.00 0.73 C ATOM 555 O PRO A 38 2.221 -15.272 -3.496 1.00 0.87 O ATOM 556 CB PRO A 38 5.190 -14.266 -3.564 1.00 0.91 C ATOM 557 CG PRO A 38 5.823 -13.308 -2.560 1.00 0.94 C ATOM 558 CD PRO A 38 5.329 -11.946 -3.041 1.00 0.83 C ATOM 0 HA PRO A 38 3.582 -13.799 -4.967 1.00 0.75 H new ATOM 0 HB2 PRO A 38 5.042 -15.255 -3.130 1.00 0.91 H new ATOM 0 HB3 PRO A 38 5.822 -14.395 -4.442 1.00 0.91 H new ATOM 0 HG2 PRO A 38 5.501 -13.519 -1.540 1.00 0.94 H new ATOM 0 HG3 PRO A 38 6.911 -13.371 -2.570 1.00 0.94 H new ATOM 0 HD2 PRO A 38 5.215 -11.256 -2.205 1.00 0.83 H new ATOM 0 HD3 PRO A 38 6.041 -11.495 -3.732 1.00 0.83 H new ATOM 566 N VAL A 39 2.224 -13.516 -2.092 1.00 0.68 N ATOM 567 CA VAL A 39 1.108 -13.967 -1.242 1.00 0.72 C ATOM 568 C VAL A 39 -0.274 -13.432 -1.656 1.00 0.68 C ATOM 569 O VAL A 39 -1.217 -13.534 -0.867 1.00 0.76 O ATOM 570 CB VAL A 39 1.378 -13.688 0.252 1.00 0.74 C ATOM 571 CG1 VAL A 39 2.653 -14.392 0.743 1.00 0.85 C ATOM 572 CG2 VAL A 39 1.459 -12.184 0.514 1.00 0.70 C ATOM 0 H VAL A 39 2.610 -12.617 -1.805 1.00 0.68 H new ATOM 0 HA VAL A 39 1.064 -15.045 -1.399 1.00 0.72 H new ATOM 0 HB VAL A 39 0.540 -14.097 0.817 1.00 0.74 H new ATOM 0 HG11 VAL A 39 2.807 -14.170 1.799 1.00 0.85 H new ATOM 0 HG12 VAL A 39 2.548 -15.469 0.610 1.00 0.85 H new ATOM 0 HG13 VAL A 39 3.509 -14.037 0.169 1.00 0.85 H new ATOM 0 HG21 VAL A 39 1.650 -12.009 1.573 1.00 0.70 H new ATOM 0 HG22 VAL A 39 2.269 -11.755 -0.076 1.00 0.70 H new ATOM 0 HG23 VAL A 39 0.516 -11.714 0.233 1.00 0.70 H new ATOM 582 N ALA A 40 -0.447 -12.928 -2.885 1.00 0.62 N ATOM 583 CA ALA A 40 -1.768 -12.585 -3.427 1.00 0.58 C ATOM 584 C ALA A 40 -1.984 -13.064 -4.868 1.00 0.76 C ATOM 585 O ALA A 40 -1.051 -13.487 -5.547 1.00 1.20 O ATOM 586 CB ALA A 40 -1.988 -11.076 -3.259 1.00 0.64 C ATOM 0 H ALA A 40 0.322 -12.747 -3.530 1.00 0.62 H new ATOM 0 HA ALA A 40 -2.526 -13.124 -2.859 1.00 0.58 H new ATOM 0 HB1 ALA A 40 -2.966 -10.804 -3.657 1.00 0.64 H new ATOM 0 HB2 ALA A 40 -1.942 -10.817 -2.201 1.00 0.64 H new ATOM 0 HB3 ALA A 40 -1.213 -10.533 -3.799 1.00 0.64 H new ATOM 592 N GLU A 41 -3.244 -13.083 -5.308 1.00 0.71 N ATOM 593 CA GLU A 41 -3.641 -13.424 -6.676 1.00 0.93 C ATOM 594 C GLU A 41 -3.744 -12.164 -7.555 1.00 0.94 C ATOM 595 O GLU A 41 -3.335 -12.183 -8.713 1.00 1.34 O ATOM 596 CB GLU A 41 -4.956 -14.214 -6.574 1.00 1.05 C ATOM 597 CG GLU A 41 -5.347 -14.954 -7.861 1.00 1.33 C ATOM 598 CD GLU A 41 -6.336 -14.214 -8.763 1.00 2.61 C ATOM 599 OE1 GLU A 41 -7.107 -13.376 -8.256 1.00 4.07 O ATOM 600 OE2 GLU A 41 -6.380 -14.507 -9.976 1.00 3.54 O ATOM 0 H GLU A 41 -4.037 -12.856 -4.708 1.00 0.71 H new ATOM 0 HA GLU A 41 -2.892 -14.042 -7.170 1.00 0.93 H new ATOM 0 HB2 GLU A 41 -4.870 -14.938 -5.764 1.00 1.05 H new ATOM 0 HB3 GLU A 41 -5.759 -13.528 -6.304 1.00 1.05 H new ATOM 0 HG2 GLU A 41 -4.442 -15.159 -8.433 1.00 1.33 H new ATOM 0 HG3 GLU A 41 -5.778 -15.918 -7.590 1.00 1.33 H new ATOM 607 N ARG A 42 -4.201 -11.053 -6.966 1.00 0.67 N ATOM 608 CA ARG A 42 -4.189 -9.695 -7.510 1.00 0.72 C ATOM 609 C ARG A 42 -3.715 -8.748 -6.407 1.00 0.76 C ATOM 610 O ARG A 42 -3.865 -9.037 -5.217 1.00 1.07 O ATOM 611 CB ARG A 42 -5.609 -9.309 -7.966 1.00 0.79 C ATOM 612 CG ARG A 42 -6.037 -10.085 -9.216 1.00 1.27 C ATOM 613 CD ARG A 42 -7.560 -10.159 -9.383 1.00 1.62 C ATOM 614 NE ARG A 42 -7.893 -11.437 -10.016 1.00 2.90 N ATOM 615 CZ ARG A 42 -8.002 -11.715 -11.300 1.00 3.62 C ATOM 616 NH1 ARG A 42 -8.212 -10.772 -12.195 1.00 3.77 N ATOM 617 NH2 ARG A 42 -7.869 -12.966 -11.673 1.00 5.00 N ATOM 0 H ARG A 42 -4.616 -11.084 -6.035 1.00 0.67 H new ATOM 0 HA ARG A 42 -3.521 -9.632 -8.369 1.00 0.72 H new ATOM 0 HB2 ARG A 42 -6.315 -9.503 -7.159 1.00 0.79 H new ATOM 0 HB3 ARG A 42 -5.646 -8.239 -8.172 1.00 0.79 H new ATOM 0 HG2 ARG A 42 -5.603 -9.612 -10.097 1.00 1.27 H new ATOM 0 HG3 ARG A 42 -5.633 -11.096 -9.165 1.00 1.27 H new ATOM 0 HD2 ARG A 42 -8.052 -10.076 -8.414 1.00 1.62 H new ATOM 0 HD3 ARG A 42 -7.916 -9.329 -9.994 1.00 1.62 H new ATOM 0 HE ARG A 42 -8.063 -12.215 -9.379 1.00 2.90 H new ATOM 0 HH11 ARG A 42 -8.294 -9.799 -11.901 1.00 3.77 H new ATOM 0 HH12 ARG A 42 -8.292 -11.015 -13.182 1.00 3.77 H new ATOM 0 HH21 ARG A 42 -7.687 -13.689 -10.977 1.00 5.00 H new ATOM 0 HH22 ARG A 42 -7.948 -13.215 -12.659 1.00 5.00 H new ATOM 631 N VAL A 43 -3.189 -7.598 -6.810 1.00 0.66 N ATOM 632 CA VAL A 43 -2.891 -6.442 -5.950 1.00 0.65 C ATOM 633 C VAL A 43 -3.307 -5.162 -6.683 1.00 0.79 C ATOM 634 O VAL A 43 -3.266 -5.126 -7.912 1.00 0.98 O ATOM 635 CB VAL A 43 -1.405 -6.392 -5.532 1.00 0.71 C ATOM 636 CG1 VAL A 43 -0.452 -6.128 -6.707 1.00 0.83 C ATOM 637 CG2 VAL A 43 -1.111 -5.356 -4.434 1.00 0.82 C ATOM 0 H VAL A 43 -2.945 -7.431 -7.786 1.00 0.66 H new ATOM 0 HA VAL A 43 -3.461 -6.538 -5.026 1.00 0.65 H new ATOM 0 HB VAL A 43 -1.220 -7.391 -5.137 1.00 0.71 H new ATOM 0 HG11 VAL A 43 0.576 -6.105 -6.344 1.00 0.83 H new ATOM 0 HG12 VAL A 43 -0.558 -6.921 -7.447 1.00 0.83 H new ATOM 0 HG13 VAL A 43 -0.696 -5.170 -7.165 1.00 0.83 H new ATOM 0 HG21 VAL A 43 -0.049 -5.376 -4.190 1.00 0.82 H new ATOM 0 HG22 VAL A 43 -1.383 -4.362 -4.789 1.00 0.82 H new ATOM 0 HG23 VAL A 43 -1.692 -5.595 -3.543 1.00 0.82 H new ATOM 647 N GLU A 44 -3.706 -4.146 -5.921 1.00 0.89 N ATOM 648 CA GLU A 44 -4.294 -2.887 -6.380 1.00 0.93 C ATOM 649 C GLU A 44 -3.963 -1.793 -5.357 1.00 0.84 C ATOM 650 O GLU A 44 -3.820 -2.114 -4.174 1.00 0.87 O ATOM 651 CB GLU A 44 -5.813 -3.105 -6.457 1.00 1.02 C ATOM 652 CG GLU A 44 -6.578 -2.058 -7.263 1.00 1.83 C ATOM 653 CD GLU A 44 -8.016 -2.546 -7.403 1.00 2.00 C ATOM 654 OE1 GLU A 44 -8.236 -3.430 -8.254 1.00 2.84 O ATOM 655 OE2 GLU A 44 -8.866 -2.104 -6.600 1.00 2.81 O ATOM 0 H GLU A 44 -3.623 -4.181 -4.905 1.00 0.89 H new ATOM 0 HA GLU A 44 -3.906 -2.585 -7.353 1.00 0.93 H new ATOM 0 HB2 GLU A 44 -6.002 -4.086 -6.893 1.00 1.02 H new ATOM 0 HB3 GLU A 44 -6.213 -3.124 -5.443 1.00 1.02 H new ATOM 0 HG2 GLU A 44 -6.549 -1.091 -6.761 1.00 1.83 H new ATOM 0 HG3 GLU A 44 -6.123 -1.921 -8.244 1.00 1.83 H new ATOM 662 N LEU A 45 -3.837 -0.520 -5.754 1.00 0.89 N ATOM 663 CA LEU A 45 -3.680 0.565 -4.777 1.00 0.82 C ATOM 664 C LEU A 45 -4.936 1.408 -4.614 1.00 0.64 C ATOM 665 O LEU A 45 -5.559 1.878 -5.568 1.00 0.69 O ATOM 666 CB LEU A 45 -2.439 1.433 -5.000 1.00 1.46 C ATOM 667 CG LEU A 45 -2.485 2.461 -6.131 1.00 0.71 C ATOM 668 CD1 LEU A 45 -1.263 3.372 -6.000 1.00 1.83 C ATOM 669 CD2 LEU A 45 -2.503 1.822 -7.528 1.00 1.97 C ATOM 0 H LEU A 45 -3.840 -0.219 -6.729 1.00 0.89 H new ATOM 0 HA LEU A 45 -3.516 0.051 -3.830 1.00 0.82 H new ATOM 0 HB2 LEU A 45 -2.230 1.965 -4.072 1.00 1.46 H new ATOM 0 HB3 LEU A 45 -1.594 0.769 -5.184 1.00 1.46 H new ATOM 0 HG LEU A 45 -3.415 3.022 -6.035 1.00 0.71 H new ATOM 0 HD11 LEU A 45 -1.275 4.114 -6.798 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -1.287 3.877 -5.034 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -0.354 2.775 -6.074 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -2.536 2.605 -8.286 1.00 1.97 H new ATOM 0 HD22 LEU A 45 -1.604 1.222 -7.665 1.00 1.97 H new ATOM 0 HD23 LEU A 45 -3.382 1.186 -7.626 1.00 1.97 H new ATOM 681 N HIS A 46 -5.250 1.649 -3.351 1.00 0.54 N ATOM 682 CA HIS A 46 -6.355 2.463 -2.893 1.00 0.48 C ATOM 683 C HIS A 46 -5.863 3.681 -2.120 1.00 0.51 C ATOM 684 O HIS A 46 -4.782 3.685 -1.530 1.00 0.56 O ATOM 685 CB HIS A 46 -7.250 1.594 -1.999 1.00 0.43 C ATOM 686 CG HIS A 46 -7.868 0.367 -2.616 1.00 0.53 C ATOM 687 ND1 HIS A 46 -8.479 -0.648 -1.891 1.00 0.62 N ATOM 688 CD2 HIS A 46 -7.923 0.024 -3.934 1.00 0.59 C ATOM 689 CE1 HIS A 46 -8.897 -1.561 -2.779 1.00 0.70 C ATOM 690 NE2 HIS A 46 -8.585 -1.177 -4.024 1.00 0.70 N ATOM 0 H HIS A 46 -4.709 1.259 -2.579 1.00 0.54 H new ATOM 0 HA HIS A 46 -6.915 2.830 -3.753 1.00 0.48 H new ATOM 0 HB2 HIS A 46 -6.660 1.277 -1.139 1.00 0.43 H new ATOM 0 HB3 HIS A 46 -8.056 2.222 -1.619 1.00 0.43 H new ATOM 0 HD2 HIS A 46 -7.519 0.593 -4.758 1.00 0.59 H new ATOM 0 HE1 HIS A 46 -9.412 -2.476 -2.527 1.00 0.70 H new ATOM 0 HE2 HIS A 46 -8.800 -1.684 -4.883 1.00 0.70 H new ATOM 698 N GLU A 47 -6.705 4.700 -2.131 1.00 0.54 N ATOM 699 CA GLU A 47 -6.724 5.794 -1.169 1.00 0.57 C ATOM 700 C GLU A 47 -7.585 5.435 0.052 1.00 0.72 C ATOM 701 O GLU A 47 -8.031 4.294 0.181 1.00 1.18 O ATOM 702 CB GLU A 47 -7.091 7.096 -1.901 1.00 0.51 C ATOM 703 CG GLU A 47 -8.381 7.214 -2.723 1.00 0.73 C ATOM 704 CD GLU A 47 -9.670 7.333 -1.929 1.00 1.50 C ATOM 705 OE1 GLU A 47 -10.012 6.360 -1.230 1.00 3.35 O ATOM 706 OE2 GLU A 47 -10.404 8.321 -2.148 1.00 1.77 O ATOM 0 H GLU A 47 -7.429 4.794 -2.843 1.00 0.54 H new ATOM 0 HA GLU A 47 -5.737 5.967 -0.740 1.00 0.57 H new ATOM 0 HB2 GLU A 47 -7.120 7.885 -1.150 1.00 0.51 H new ATOM 0 HB3 GLU A 47 -6.264 7.326 -2.573 1.00 0.51 H new ATOM 0 HG2 GLU A 47 -8.296 8.086 -3.372 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -8.456 6.341 -3.371 1.00 0.73 H new ATOM 713 N THR A 48 -7.777 6.371 0.982 1.00 0.63 N ATOM 714 CA THR A 48 -8.813 6.307 2.037 1.00 0.58 C ATOM 715 C THR A 48 -9.211 7.729 2.410 1.00 0.50 C ATOM 716 O THR A 48 -8.378 8.633 2.338 1.00 0.61 O ATOM 717 CB THR A 48 -8.335 5.499 3.255 1.00 0.60 C ATOM 718 OG1 THR A 48 -8.215 4.165 2.854 1.00 0.71 O ATOM 719 CG2 THR A 48 -9.280 5.503 4.458 1.00 0.65 C ATOM 0 H THR A 48 -7.209 7.217 1.032 1.00 0.63 H new ATOM 0 HA THR A 48 -9.689 5.780 1.658 1.00 0.58 H new ATOM 0 HB THR A 48 -7.406 5.969 3.577 1.00 0.60 H new ATOM 0 HG1 THR A 48 -8.414 4.092 1.897 1.00 0.71 H new ATOM 0 HG21 THR A 48 -8.849 4.905 5.261 1.00 0.65 H new ATOM 0 HG22 THR A 48 -9.423 6.526 4.805 1.00 0.65 H new ATOM 0 HG23 THR A 48 -10.242 5.081 4.167 1.00 0.65 H new ATOM 727 N PHE A 49 -10.479 7.931 2.788 1.00 0.48 N ATOM 728 CA PHE A 49 -11.070 9.255 2.999 1.00 0.52 C ATOM 729 C PHE A 49 -12.323 9.238 3.887 1.00 0.63 C ATOM 730 O PHE A 49 -12.834 8.203 4.323 1.00 0.69 O ATOM 731 CB PHE A 49 -11.369 9.922 1.638 1.00 0.55 C ATOM 732 CG PHE A 49 -12.504 9.297 0.840 1.00 0.55 C ATOM 733 CD1 PHE A 49 -12.327 8.043 0.235 1.00 1.94 C ATOM 734 CD2 PHE A 49 -13.734 9.967 0.685 1.00 1.79 C ATOM 735 CE1 PHE A 49 -13.354 7.455 -0.509 1.00 2.05 C ATOM 736 CE2 PHE A 49 -14.759 9.391 -0.091 1.00 1.79 C ATOM 737 CZ PHE A 49 -14.565 8.136 -0.698 1.00 0.87 C ATOM 0 H PHE A 49 -11.132 7.166 2.958 1.00 0.48 H new ATOM 0 HA PHE A 49 -10.332 9.844 3.543 1.00 0.52 H new ATOM 0 HB2 PHE A 49 -11.605 10.972 1.811 1.00 0.55 H new ATOM 0 HB3 PHE A 49 -10.463 9.894 1.032 1.00 0.55 H new ATOM 0 HD1 PHE A 49 -11.385 7.526 0.346 1.00 1.94 H new ATOM 0 HD2 PHE A 49 -13.891 10.923 1.162 1.00 1.79 H new ATOM 0 HE1 PHE A 49 -13.214 6.474 -0.939 1.00 2.05 H new ATOM 0 HE2 PHE A 49 -15.695 9.913 -0.220 1.00 1.79 H new ATOM 0 HZ PHE A 49 -15.344 7.700 -1.306 1.00 0.87 H new ATOM 747 N MET A 50 -12.842 10.441 4.144 1.00 0.79 N ATOM 748 CA MET A 50 -14.013 10.711 4.962 1.00 0.94 C ATOM 749 C MET A 50 -14.998 11.617 4.212 1.00 0.73 C ATOM 750 O MET A 50 -14.640 12.707 3.771 1.00 0.79 O ATOM 751 CB MET A 50 -13.517 11.368 6.254 1.00 1.23 C ATOM 752 CG MET A 50 -14.688 11.770 7.145 1.00 2.37 C ATOM 753 SD MET A 50 -14.223 12.366 8.791 1.00 2.82 S ATOM 754 CE MET A 50 -13.349 13.885 8.334 1.00 3.26 C ATOM 0 H MET A 50 -12.431 11.294 3.764 1.00 0.79 H new ATOM 0 HA MET A 50 -14.551 9.791 5.192 1.00 0.94 H new ATOM 0 HB2 MET A 50 -12.866 10.678 6.791 1.00 1.23 H new ATOM 0 HB3 MET A 50 -12.919 12.247 6.013 1.00 1.23 H new ATOM 0 HG2 MET A 50 -15.259 12.549 6.640 1.00 2.37 H new ATOM 0 HG3 MET A 50 -15.351 10.912 7.259 1.00 2.37 H new ATOM 0 HE1 MET A 50 -13.132 14.464 9.232 1.00 3.26 H new ATOM 0 HE2 MET A 50 -12.416 13.631 7.831 1.00 3.26 H new ATOM 0 HE3 MET A 50 -13.973 14.476 7.663 1.00 3.26 H new ATOM 764 N ARG A 51 -16.257 11.187 4.144 1.00 0.99 N ATOM 765 CA ARG A 51 -17.412 12.005 3.772 1.00 0.78 C ATOM 766 C ARG A 51 -18.129 12.528 5.023 1.00 0.68 C ATOM 767 O ARG A 51 -18.250 11.823 6.026 1.00 0.73 O ATOM 768 CB ARG A 51 -18.420 11.175 2.952 1.00 1.06 C ATOM 769 CG ARG A 51 -18.260 11.321 1.426 1.00 1.61 C ATOM 770 CD ARG A 51 -19.621 11.341 0.707 1.00 2.12 C ATOM 771 NE ARG A 51 -20.404 12.532 1.091 1.00 3.55 N ATOM 772 CZ ARG A 51 -20.792 13.561 0.351 1.00 4.48 C ATOM 773 NH1 ARG A 51 -20.619 13.616 -0.955 1.00 4.53 N ATOM 774 NH2 ARG A 51 -21.375 14.563 0.965 1.00 6.09 N ATOM 0 H ARG A 51 -16.511 10.222 4.355 1.00 0.99 H new ATOM 0 HA ARG A 51 -17.045 12.841 3.177 1.00 0.78 H new ATOM 0 HB2 ARG A 51 -18.311 10.124 3.219 1.00 1.06 H new ATOM 0 HB3 ARG A 51 -19.431 11.472 3.231 1.00 1.06 H new ATOM 0 HG2 ARG A 51 -17.718 12.240 1.204 1.00 1.61 H new ATOM 0 HG3 ARG A 51 -17.659 10.496 1.043 1.00 1.61 H new ATOM 0 HD2 ARG A 51 -19.467 11.335 -0.372 1.00 2.12 H new ATOM 0 HD3 ARG A 51 -20.180 10.439 0.954 1.00 2.12 H new ATOM 0 HE ARG A 51 -20.688 12.569 2.070 1.00 3.55 H new ATOM 0 HH11 ARG A 51 -20.168 12.842 -1.443 1.00 4.53 H new ATOM 0 HH12 ARG A 51 -20.937 14.432 -1.478 1.00 4.53 H new ATOM 0 HH21 ARG A 51 -21.514 14.531 1.975 1.00 6.09 H new ATOM 0 HH22 ARG A 51 -21.689 15.374 0.433 1.00 6.09 H new ATOM 788 N GLU A 52 -18.729 13.709 4.919 1.00 0.84 N ATOM 789 CA GLU A 52 -19.940 14.046 5.634 1.00 0.95 C ATOM 790 C GLU A 52 -21.141 13.513 4.836 1.00 1.07 C ATOM 791 O GLU A 52 -21.168 13.665 3.612 1.00 1.24 O ATOM 792 CB GLU A 52 -19.987 15.569 5.682 1.00 1.21 C ATOM 793 CG GLU A 52 -20.993 16.061 6.704 1.00 1.30 C ATOM 794 CD GLU A 52 -20.327 16.225 8.062 1.00 1.61 C ATOM 795 OE1 GLU A 52 -19.707 17.279 8.307 1.00 2.64 O ATOM 796 OE2 GLU A 52 -20.339 15.258 8.855 1.00 2.28 O ATOM 0 H GLU A 52 -18.379 14.463 4.328 1.00 0.84 H new ATOM 0 HA GLU A 52 -19.966 13.618 6.636 1.00 0.95 H new ATOM 0 HB2 GLU A 52 -18.998 15.957 5.927 1.00 1.21 H new ATOM 0 HB3 GLU A 52 -20.247 15.957 4.697 1.00 1.21 H new ATOM 0 HG2 GLU A 52 -21.415 17.013 6.381 1.00 1.30 H new ATOM 0 HG3 GLU A 52 -21.820 15.355 6.780 1.00 1.30 H new ATOM 803 N VAL A 53 -22.139 12.930 5.493 1.00 1.13 N ATOM 804 CA VAL A 53 -23.469 12.630 4.936 1.00 1.38 C ATOM 805 C VAL A 53 -24.475 12.947 6.039 1.00 1.48 C ATOM 806 O VAL A 53 -24.313 12.456 7.150 1.00 1.91 O ATOM 807 CB VAL A 53 -23.610 11.146 4.509 1.00 1.53 C ATOM 808 CG1 VAL A 53 -25.004 10.881 3.917 1.00 2.14 C ATOM 809 CG2 VAL A 53 -22.556 10.741 3.461 1.00 2.25 C ATOM 0 H VAL A 53 -22.048 12.639 6.466 1.00 1.13 H new ATOM 0 HA VAL A 53 -23.635 13.224 4.037 1.00 1.38 H new ATOM 0 HB VAL A 53 -23.460 10.551 5.410 1.00 1.53 H new ATOM 0 HG11 VAL A 53 -25.082 9.834 3.624 1.00 2.14 H new ATOM 0 HG12 VAL A 53 -25.765 11.106 4.664 1.00 2.14 H new ATOM 0 HG13 VAL A 53 -25.155 11.515 3.043 1.00 2.14 H new ATOM 0 HG21 VAL A 53 -22.694 9.694 3.192 1.00 2.25 H new ATOM 0 HG22 VAL A 53 -22.670 11.362 2.572 1.00 2.25 H new ATOM 0 HG23 VAL A 53 -21.558 10.881 3.876 1.00 2.25 H new ATOM 819 N GLU A 54 -25.467 13.800 5.755 1.00 1.56 N ATOM 820 CA GLU A 54 -26.524 14.174 6.716 1.00 1.70 C ATOM 821 C GLU A 54 -25.943 14.848 7.988 1.00 1.63 C ATOM 822 O GLU A 54 -26.413 14.616 9.101 1.00 1.81 O ATOM 823 CB GLU A 54 -27.369 12.926 7.042 1.00 1.79 C ATOM 824 CG GLU A 54 -28.798 13.235 7.517 1.00 2.78 C ATOM 825 CD GLU A 54 -29.329 12.104 8.395 1.00 3.23 C ATOM 826 OE1 GLU A 54 -29.114 10.917 8.056 1.00 3.18 O ATOM 827 OE2 GLU A 54 -29.768 12.381 9.534 1.00 4.33 O ATOM 0 H GLU A 54 -25.564 14.256 4.847 1.00 1.56 H new ATOM 0 HA GLU A 54 -27.171 14.924 6.262 1.00 1.70 H new ATOM 0 HB2 GLU A 54 -27.422 12.296 6.154 1.00 1.79 H new ATOM 0 HB3 GLU A 54 -26.860 12.348 7.813 1.00 1.79 H new ATOM 0 HG2 GLU A 54 -28.807 14.171 8.075 1.00 2.78 H new ATOM 0 HG3 GLU A 54 -29.452 13.372 6.656 1.00 2.78 H new ATOM 834 N GLY A 55 -24.848 15.613 7.849 1.00 1.52 N ATOM 835 CA GLY A 55 -24.139 16.253 8.973 1.00 1.56 C ATOM 836 C GLY A 55 -23.316 15.288 9.837 1.00 1.41 C ATOM 837 O GLY A 55 -22.847 15.667 10.907 1.00 1.62 O ATOM 0 H GLY A 55 -24.424 15.808 6.942 1.00 1.52 H new ATOM 0 HA2 GLY A 55 -23.476 17.022 8.577 1.00 1.56 H new ATOM 0 HA3 GLY A 55 -24.869 16.757 9.607 1.00 1.56 H new ATOM 841 N LYS A 56 -23.157 14.038 9.393 1.00 1.18 N ATOM 842 CA LYS A 56 -22.541 12.942 10.122 1.00 1.10 C ATOM 843 C LYS A 56 -21.421 12.334 9.269 1.00 0.91 C ATOM 844 O LYS A 56 -21.533 12.102 8.062 1.00 0.88 O ATOM 845 CB LYS A 56 -23.611 11.898 10.490 1.00 1.25 C ATOM 846 CG LYS A 56 -24.660 12.456 11.476 1.00 1.77 C ATOM 847 CD LYS A 56 -25.872 11.536 11.677 1.00 1.77 C ATOM 848 CE LYS A 56 -26.630 11.370 10.355 1.00 1.90 C ATOM 849 NZ LYS A 56 -27.938 10.702 10.512 1.00 2.29 N ATOM 0 H LYS A 56 -23.474 13.756 8.465 1.00 1.18 H new ATOM 0 HA LYS A 56 -22.100 13.305 11.050 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -24.112 11.559 9.583 1.00 1.25 H new ATOM 0 HB3 LYS A 56 -23.128 11.026 10.932 1.00 1.25 H new ATOM 0 HG2 LYS A 56 -24.183 12.629 12.441 1.00 1.77 H new ATOM 0 HG3 LYS A 56 -25.006 13.424 11.114 1.00 1.77 H new ATOM 0 HD2 LYS A 56 -25.544 10.563 12.042 1.00 1.77 H new ATOM 0 HD3 LYS A 56 -26.534 11.954 12.435 1.00 1.77 H new ATOM 0 HE2 LYS A 56 -26.783 12.351 9.906 1.00 1.90 H new ATOM 0 HE3 LYS A 56 -26.016 10.794 9.662 1.00 1.90 H new ATOM 0 HZ1 LYS A 56 -28.134 10.120 9.673 1.00 2.29 H new ATOM 0 HZ2 LYS A 56 -27.919 10.096 11.357 1.00 2.29 H new ATOM 0 HZ3 LYS A 56 -28.684 11.419 10.617 1.00 2.29 H new ATOM 863 N LYS A 57 -20.300 12.100 9.927 1.00 1.09 N ATOM 864 CA LYS A 57 -19.032 11.687 9.329 1.00 1.12 C ATOM 865 C LYS A 57 -18.983 10.167 9.132 1.00 1.15 C ATOM 866 O LYS A 57 -19.192 9.406 10.072 1.00 1.37 O ATOM 867 CB LYS A 57 -17.864 12.251 10.167 1.00 1.43 C ATOM 868 CG LYS A 57 -17.956 13.780 10.084 1.00 1.78 C ATOM 869 CD LYS A 57 -16.938 14.627 10.852 1.00 2.40 C ATOM 870 CE LYS A 57 -17.148 16.100 10.447 1.00 3.10 C ATOM 871 NZ LYS A 57 -18.560 16.558 10.572 1.00 2.79 N ATOM 0 H LYS A 57 -20.241 12.196 10.941 1.00 1.09 H new ATOM 0 HA LYS A 57 -18.936 12.105 8.327 1.00 1.12 H new ATOM 0 HB2 LYS A 57 -17.933 11.915 11.202 1.00 1.43 H new ATOM 0 HB3 LYS A 57 -16.907 11.900 9.781 1.00 1.43 H new ATOM 0 HG2 LYS A 57 -17.888 14.057 9.032 1.00 1.78 H new ATOM 0 HG3 LYS A 57 -18.950 14.069 10.426 1.00 1.78 H new ATOM 0 HD2 LYS A 57 -17.072 14.504 11.927 1.00 2.40 H new ATOM 0 HD3 LYS A 57 -15.922 14.308 10.619 1.00 2.40 H new ATOM 0 HE2 LYS A 57 -16.513 16.733 11.068 1.00 3.10 H new ATOM 0 HE3 LYS A 57 -16.821 16.235 9.416 1.00 3.10 H new ATOM 0 HZ1 LYS A 57 -18.784 17.208 9.792 1.00 2.79 H new ATOM 0 HZ2 LYS A 57 -19.196 15.736 10.532 1.00 2.79 H new ATOM 0 HZ3 LYS A 57 -18.686 17.050 11.480 1.00 2.79 H new ATOM 885 N VAL A 58 -18.748 9.764 7.889 1.00 1.07 N ATOM 886 CA VAL A 58 -18.787 8.379 7.392 1.00 1.29 C ATOM 887 C VAL A 58 -17.648 8.194 6.388 1.00 1.34 C ATOM 888 O VAL A 58 -17.460 9.028 5.505 1.00 1.61 O ATOM 889 CB VAL A 58 -20.150 8.062 6.721 1.00 1.34 C ATOM 890 CG1 VAL A 58 -20.198 6.626 6.176 1.00 2.17 C ATOM 891 CG2 VAL A 58 -21.335 8.253 7.685 1.00 2.18 C ATOM 0 H VAL A 58 -18.511 10.428 7.152 1.00 1.07 H new ATOM 0 HA VAL A 58 -18.668 7.692 8.230 1.00 1.29 H new ATOM 0 HB VAL A 58 -20.240 8.771 5.898 1.00 1.34 H new ATOM 0 HG11 VAL A 58 -21.169 6.444 5.714 1.00 2.17 H new ATOM 0 HG12 VAL A 58 -19.412 6.492 5.433 1.00 2.17 H new ATOM 0 HG13 VAL A 58 -20.048 5.921 6.994 1.00 2.17 H new ATOM 0 HG21 VAL A 58 -22.266 8.019 7.168 1.00 2.18 H new ATOM 0 HG22 VAL A 58 -21.218 7.589 8.541 1.00 2.18 H new ATOM 0 HG23 VAL A 58 -21.361 9.287 8.029 1.00 2.18 H new ATOM 901 N MET A 59 -16.863 7.128 6.542 1.00 1.14 N ATOM 902 CA MET A 59 -15.622 6.883 5.788 1.00 0.99 C ATOM 903 C MET A 59 -15.784 5.870 4.653 1.00 1.03 C ATOM 904 O MET A 59 -16.725 5.078 4.637 1.00 1.26 O ATOM 905 CB MET A 59 -14.500 6.409 6.725 1.00 0.91 C ATOM 906 CG MET A 59 -14.137 7.441 7.801 1.00 1.07 C ATOM 907 SD MET A 59 -15.248 7.490 9.233 1.00 2.94 S ATOM 908 CE MET A 59 -14.574 8.924 10.108 1.00 3.22 C ATOM 0 H MET A 59 -17.074 6.388 7.211 1.00 1.14 H new ATOM 0 HA MET A 59 -15.362 7.840 5.336 1.00 0.99 H new ATOM 0 HB2 MET A 59 -14.806 5.481 7.209 1.00 0.91 H new ATOM 0 HB3 MET A 59 -13.613 6.182 6.134 1.00 0.91 H new ATOM 0 HG2 MET A 59 -13.126 7.235 8.153 1.00 1.07 H new ATOM 0 HG3 MET A 59 -14.119 8.429 7.342 1.00 1.07 H new ATOM 0 HE1 MET A 59 -14.553 8.720 11.179 1.00 3.22 H new ATOM 0 HE2 MET A 59 -13.561 9.122 9.756 1.00 3.22 H new ATOM 0 HE3 MET A 59 -15.201 9.795 9.917 1.00 3.22 H new ATOM 918 N GLY A 60 -14.828 5.895 3.719 1.00 0.91 N ATOM 919 CA GLY A 60 -14.694 4.931 2.630 1.00 1.08 C ATOM 920 C GLY A 60 -13.272 4.854 2.068 1.00 0.77 C ATOM 921 O GLY A 60 -12.378 5.578 2.502 1.00 0.52 O ATOM 0 H GLY A 60 -14.103 6.613 3.703 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -14.991 3.945 2.987 1.00 1.08 H new ATOM 0 HA3 GLY A 60 -15.381 5.200 1.828 1.00 1.08 H new ATOM 925 N MET A 61 -13.081 3.996 1.064 1.00 0.93 N ATOM 926 CA MET A 61 -11.853 3.921 0.262 1.00 0.68 C ATOM 927 C MET A 61 -12.168 3.621 -1.202 1.00 0.76 C ATOM 928 O MET A 61 -13.208 3.044 -1.518 1.00 1.02 O ATOM 929 CB MET A 61 -10.800 2.972 0.880 1.00 1.28 C ATOM 930 CG MET A 61 -11.229 1.600 1.442 1.00 1.32 C ATOM 931 SD MET A 61 -10.794 0.059 0.548 1.00 0.54 S ATOM 932 CE MET A 61 -11.277 0.518 -1.130 1.00 3.62 C ATOM 0 H MET A 61 -13.788 3.319 0.778 1.00 0.93 H new ATOM 0 HA MET A 61 -11.384 4.905 0.279 1.00 0.68 H new ATOM 0 HB2 MET A 61 -10.044 2.787 0.117 1.00 1.28 H new ATOM 0 HB3 MET A 61 -10.311 3.514 1.689 1.00 1.28 H new ATOM 0 HG2 MET A 61 -10.814 1.519 2.447 1.00 1.32 H new ATOM 0 HG3 MET A 61 -12.314 1.618 1.545 1.00 1.32 H new ATOM 0 HE1 MET A 61 -11.212 -0.355 -1.779 1.00 3.62 H new ATOM 0 HE2 MET A 61 -12.301 0.891 -1.125 1.00 3.62 H new ATOM 0 HE3 MET A 61 -10.610 1.296 -1.501 1.00 3.62 H new ATOM 942 N ARG A 62 -11.280 4.044 -2.096 1.00 0.59 N ATOM 943 CA ARG A 62 -11.406 3.982 -3.557 1.00 0.61 C ATOM 944 C ARG A 62 -10.041 3.621 -4.174 1.00 0.59 C ATOM 945 O ARG A 62 -9.017 3.946 -3.569 1.00 0.56 O ATOM 946 CB ARG A 62 -11.845 5.370 -4.057 1.00 0.74 C ATOM 947 CG ARG A 62 -13.335 5.677 -3.873 1.00 1.36 C ATOM 948 CD ARG A 62 -13.684 7.090 -4.374 1.00 1.48 C ATOM 949 NE ARG A 62 -12.842 8.149 -3.773 1.00 2.46 N ATOM 950 CZ ARG A 62 -12.690 9.395 -4.198 1.00 3.42 C ATOM 951 NH1 ARG A 62 -13.380 9.896 -5.206 1.00 3.59 N ATOM 952 NH2 ARG A 62 -11.785 10.142 -3.613 1.00 4.39 N ATOM 0 H ARG A 62 -10.397 4.466 -1.807 1.00 0.59 H new ATOM 0 HA ARG A 62 -12.137 3.226 -3.845 1.00 0.61 H new ATOM 0 HB2 ARG A 62 -11.264 6.130 -3.534 1.00 0.74 H new ATOM 0 HB3 ARG A 62 -11.599 5.454 -5.116 1.00 0.74 H new ATOM 0 HG2 ARG A 62 -13.929 4.941 -4.414 1.00 1.36 H new ATOM 0 HG3 ARG A 62 -13.599 5.588 -2.819 1.00 1.36 H new ATOM 0 HD2 ARG A 62 -13.575 7.121 -5.458 1.00 1.48 H new ATOM 0 HD3 ARG A 62 -14.731 7.298 -4.152 1.00 1.48 H new ATOM 0 HE ARG A 62 -12.319 7.890 -2.936 1.00 2.46 H new ATOM 0 HH11 ARG A 62 -14.065 9.317 -5.693 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -13.229 10.862 -5.498 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -11.222 9.760 -2.853 1.00 4.39 H new ATOM 0 HH22 ARG A 62 -11.644 11.105 -3.918 1.00 4.39 H new ATOM 966 N PRO A 63 -9.978 2.981 -5.354 1.00 0.65 N ATOM 967 CA PRO A 63 -8.716 2.764 -6.052 1.00 0.66 C ATOM 968 C PRO A 63 -8.173 4.069 -6.635 1.00 0.68 C ATOM 969 O PRO A 63 -8.950 4.977 -6.931 1.00 0.69 O ATOM 970 CB PRO A 63 -9.012 1.715 -7.121 1.00 0.72 C ATOM 971 CG PRO A 63 -10.475 1.993 -7.468 1.00 0.74 C ATOM 972 CD PRO A 63 -11.079 2.421 -6.128 1.00 0.71 C ATOM 0 HA PRO A 63 -7.932 2.413 -5.381 1.00 0.66 H new ATOM 0 HB2 PRO A 63 -8.362 1.826 -7.989 1.00 0.72 H new ATOM 0 HB3 PRO A 63 -8.870 0.702 -6.744 1.00 0.72 H new ATOM 0 HG2 PRO A 63 -10.568 2.777 -8.220 1.00 0.74 H new ATOM 0 HG3 PRO A 63 -10.969 1.107 -7.868 1.00 0.74 H new ATOM 0 HD2 PRO A 63 -11.869 3.158 -6.273 1.00 0.71 H new ATOM 0 HD3 PRO A 63 -11.527 1.571 -5.612 1.00 0.71 H new ATOM 980 N VAL A 64 -6.845 4.158 -6.809 1.00 0.70 N ATOM 981 CA VAL A 64 -6.194 5.285 -7.519 1.00 0.63 C ATOM 982 C VAL A 64 -5.262 4.768 -8.626 1.00 0.55 C ATOM 983 O VAL A 64 -4.815 3.625 -8.530 1.00 0.56 O ATOM 984 CB VAL A 64 -5.461 6.247 -6.550 1.00 0.71 C ATOM 985 CG1 VAL A 64 -6.472 6.904 -5.603 1.00 0.80 C ATOM 986 CG2 VAL A 64 -4.334 5.602 -5.738 1.00 0.97 C ATOM 0 H VAL A 64 -6.189 3.457 -6.465 1.00 0.70 H new ATOM 0 HA VAL A 64 -6.982 5.871 -7.991 1.00 0.63 H new ATOM 0 HB VAL A 64 -4.980 6.991 -7.184 1.00 0.71 H new ATOM 0 HG11 VAL A 64 -5.950 7.579 -4.925 1.00 0.80 H new ATOM 0 HG12 VAL A 64 -7.202 7.467 -6.184 1.00 0.80 H new ATOM 0 HG13 VAL A 64 -6.984 6.134 -5.026 1.00 0.80 H new ATOM 0 HG21 VAL A 64 -3.879 6.350 -5.089 1.00 0.97 H new ATOM 0 HG22 VAL A 64 -4.740 4.793 -5.131 1.00 0.97 H new ATOM 0 HG23 VAL A 64 -3.579 5.203 -6.416 1.00 0.97 H new ATOM 996 N PRO A 65 -4.974 5.551 -9.689 1.00 0.50 N ATOM 997 CA PRO A 65 -4.229 5.073 -10.857 1.00 0.51 C ATOM 998 C PRO A 65 -2.725 4.980 -10.597 1.00 0.49 C ATOM 999 O PRO A 65 -2.056 4.208 -11.273 1.00 0.50 O ATOM 1000 CB PRO A 65 -4.567 6.059 -11.977 1.00 0.53 C ATOM 1001 CG PRO A 65 -4.789 7.373 -11.237 1.00 0.51 C ATOM 1002 CD PRO A 65 -5.403 6.928 -9.910 1.00 0.50 C ATOM 0 HA PRO A 65 -4.514 4.054 -11.120 1.00 0.51 H new ATOM 0 HB2 PRO A 65 -3.756 6.138 -12.701 1.00 0.53 H new ATOM 0 HB3 PRO A 65 -5.457 5.752 -12.527 1.00 0.53 H new ATOM 0 HG2 PRO A 65 -3.854 7.913 -11.087 1.00 0.51 H new ATOM 0 HG3 PRO A 65 -5.456 8.037 -11.787 1.00 0.51 H new ATOM 0 HD2 PRO A 65 -5.072 7.572 -9.095 1.00 0.50 H new ATOM 0 HD3 PRO A 65 -6.490 6.993 -9.946 1.00 0.50 H new ATOM 1010 N PHE A 66 -2.219 5.737 -9.615 1.00 0.48 N ATOM 1011 CA PHE A 66 -0.809 5.802 -9.218 1.00 0.47 C ATOM 1012 C PHE A 66 -0.632 6.673 -7.955 1.00 0.47 C ATOM 1013 O PHE A 66 -1.569 7.344 -7.515 1.00 0.56 O ATOM 1014 CB PHE A 66 0.060 6.305 -10.394 1.00 0.44 C ATOM 1015 CG PHE A 66 -0.250 7.705 -10.845 1.00 0.43 C ATOM 1016 CD1 PHE A 66 0.380 8.785 -10.210 1.00 2.02 C ATOM 1017 CD2 PHE A 66 -1.168 7.922 -11.880 1.00 1.85 C ATOM 1018 CE1 PHE A 66 0.073 10.101 -10.578 1.00 2.06 C ATOM 1019 CE2 PHE A 66 -1.460 9.241 -12.278 1.00 1.84 C ATOM 1020 CZ PHE A 66 -0.844 10.329 -11.623 1.00 0.50 C ATOM 0 H PHE A 66 -2.809 6.348 -9.051 1.00 0.48 H new ATOM 0 HA PHE A 66 -0.470 4.798 -8.964 1.00 0.47 H new ATOM 0 HB2 PHE A 66 1.109 6.255 -10.101 1.00 0.44 H new ATOM 0 HB3 PHE A 66 -0.068 5.628 -11.239 1.00 0.44 H new ATOM 0 HD1 PHE A 66 1.106 8.601 -9.432 1.00 2.02 H new ATOM 0 HD2 PHE A 66 -1.647 7.086 -12.368 1.00 1.85 H new ATOM 0 HE1 PHE A 66 0.534 10.932 -10.066 1.00 2.06 H new ATOM 0 HE2 PHE A 66 -2.155 9.420 -13.085 1.00 1.84 H new ATOM 0 HZ PHE A 66 -1.076 11.340 -11.924 1.00 0.50 H new ATOM 1030 N LEU A 67 0.585 6.672 -7.399 1.00 0.49 N ATOM 1031 CA LEU A 67 1.119 7.683 -6.479 1.00 0.48 C ATOM 1032 C LEU A 67 2.336 8.369 -7.107 1.00 0.49 C ATOM 1033 O LEU A 67 3.009 7.785 -7.955 1.00 0.49 O ATOM 1034 CB LEU A 67 1.602 7.040 -5.165 1.00 0.54 C ATOM 1035 CG LEU A 67 0.615 6.130 -4.429 1.00 0.58 C ATOM 1036 CD1 LEU A 67 1.282 5.652 -3.138 1.00 0.74 C ATOM 1037 CD2 LEU A 67 -0.711 6.818 -4.094 1.00 0.61 C ATOM 0 H LEU A 67 1.258 5.929 -7.588 1.00 0.49 H new ATOM 0 HA LEU A 67 0.316 8.393 -6.281 1.00 0.48 H new ATOM 0 HB2 LEU A 67 2.499 6.460 -5.382 1.00 0.54 H new ATOM 0 HB3 LEU A 67 1.896 7.840 -4.485 1.00 0.54 H new ATOM 0 HG LEU A 67 0.371 5.299 -5.091 1.00 0.58 H new ATOM 0 HD11 LEU A 67 0.598 5.001 -2.594 1.00 0.74 H new ATOM 0 HD12 LEU A 67 2.191 5.102 -3.380 1.00 0.74 H new ATOM 0 HD13 LEU A 67 1.533 6.513 -2.518 1.00 0.74 H new ATOM 0 HD21 LEU A 67 -1.363 6.117 -3.573 1.00 0.61 H new ATOM 0 HD22 LEU A 67 -0.522 7.681 -3.455 1.00 0.61 H new ATOM 0 HD23 LEU A 67 -1.193 7.147 -5.015 1.00 0.61 H new ATOM 1049 N GLU A 68 2.669 9.567 -6.644 1.00 0.56 N ATOM 1050 CA GLU A 68 3.825 10.324 -7.114 1.00 0.60 C ATOM 1051 C GLU A 68 4.561 10.963 -5.944 1.00 0.68 C ATOM 1052 O GLU A 68 3.932 11.363 -4.965 1.00 0.80 O ATOM 1053 CB GLU A 68 3.365 11.366 -8.136 1.00 0.83 C ATOM 1054 CG GLU A 68 4.499 12.308 -8.584 1.00 0.80 C ATOM 1055 CD GLU A 68 4.284 12.853 -9.997 1.00 0.97 C ATOM 1056 OE1 GLU A 68 3.209 12.630 -10.593 1.00 2.06 O ATOM 1057 OE2 GLU A 68 5.247 13.370 -10.595 1.00 2.19 O ATOM 0 H GLU A 68 2.136 10.049 -5.920 1.00 0.56 H new ATOM 0 HA GLU A 68 4.530 9.651 -7.603 1.00 0.60 H new ATOM 0 HB2 GLU A 68 2.957 10.856 -9.009 1.00 0.83 H new ATOM 0 HB3 GLU A 68 2.557 11.957 -7.706 1.00 0.83 H new ATOM 0 HG2 GLU A 68 4.573 13.141 -7.884 1.00 0.80 H new ATOM 0 HG3 GLU A 68 5.448 11.773 -8.545 1.00 0.80 H new ATOM 1064 N VAL A 69 5.890 11.061 -6.070 1.00 0.75 N ATOM 1065 CA VAL A 69 6.740 11.724 -5.082 1.00 0.90 C ATOM 1066 C VAL A 69 7.905 12.462 -5.768 1.00 0.86 C ATOM 1067 O VAL A 69 8.608 11.849 -6.580 1.00 0.80 O ATOM 1068 CB VAL A 69 7.288 10.720 -4.023 1.00 1.07 C ATOM 1069 CG1 VAL A 69 7.994 11.428 -2.855 1.00 1.28 C ATOM 1070 CG2 VAL A 69 6.220 9.799 -3.405 1.00 1.12 C ATOM 0 H VAL A 69 6.405 10.680 -6.864 1.00 0.75 H new ATOM 0 HA VAL A 69 6.119 12.453 -4.561 1.00 0.90 H new ATOM 0 HB VAL A 69 7.988 10.115 -4.599 1.00 1.07 H new ATOM 0 HG11 VAL A 69 8.357 10.685 -2.145 1.00 1.28 H new ATOM 0 HG12 VAL A 69 8.835 12.008 -3.236 1.00 1.28 H new ATOM 0 HG13 VAL A 69 7.291 12.094 -2.355 1.00 1.28 H new ATOM 0 HG21 VAL A 69 6.689 9.134 -2.680 1.00 1.12 H new ATOM 0 HG22 VAL A 69 5.463 10.404 -2.906 1.00 1.12 H new ATOM 0 HG23 VAL A 69 5.752 9.206 -4.191 1.00 1.12 H new ATOM 1080 N PRO A 70 8.146 13.751 -5.442 1.00 0.97 N ATOM 1081 CA PRO A 70 9.277 14.522 -5.959 1.00 0.97 C ATOM 1082 C PRO A 70 10.614 14.003 -5.394 1.00 0.95 C ATOM 1083 O PRO A 70 10.605 13.246 -4.424 1.00 1.00 O ATOM 1084 CB PRO A 70 8.998 15.971 -5.534 1.00 1.12 C ATOM 1085 CG PRO A 70 8.212 15.812 -4.237 1.00 1.23 C ATOM 1086 CD PRO A 70 7.372 14.569 -4.513 1.00 1.14 C ATOM 0 HA PRO A 70 9.372 14.435 -7.041 1.00 0.97 H new ATOM 0 HB2 PRO A 70 9.921 16.529 -5.379 1.00 1.12 H new ATOM 0 HB3 PRO A 70 8.424 16.508 -6.289 1.00 1.12 H new ATOM 0 HG2 PRO A 70 8.869 15.676 -3.378 1.00 1.23 H new ATOM 0 HG3 PRO A 70 7.591 16.684 -4.029 1.00 1.23 H new ATOM 0 HD2 PRO A 70 7.169 14.024 -3.591 1.00 1.14 H new ATOM 0 HD3 PRO A 70 6.407 14.839 -4.943 1.00 1.14 H new ATOM 1094 N PRO A 71 11.764 14.389 -5.976 1.00 0.94 N ATOM 1095 CA PRO A 71 13.078 13.939 -5.529 1.00 0.92 C ATOM 1096 C PRO A 71 13.369 14.289 -4.070 1.00 0.98 C ATOM 1097 O PRO A 71 12.995 15.357 -3.590 1.00 1.06 O ATOM 1098 CB PRO A 71 14.088 14.558 -6.492 1.00 0.97 C ATOM 1099 CG PRO A 71 13.341 15.707 -7.163 1.00 0.99 C ATOM 1100 CD PRO A 71 11.894 15.236 -7.153 1.00 0.95 C ATOM 0 HA PRO A 71 13.134 12.851 -5.549 1.00 0.92 H new ATOM 0 HB2 PRO A 71 14.970 14.917 -5.962 1.00 0.97 H new ATOM 0 HB3 PRO A 71 14.432 13.829 -7.226 1.00 0.97 H new ATOM 0 HG2 PRO A 71 13.464 16.641 -6.615 1.00 0.99 H new ATOM 0 HG3 PRO A 71 13.700 15.883 -8.177 1.00 0.99 H new ATOM 0 HD2 PRO A 71 11.207 16.081 -7.105 1.00 0.95 H new ATOM 0 HD3 PRO A 71 11.656 14.683 -8.062 1.00 0.95 H new ATOM 1108 N LYS A 72 14.032 13.359 -3.374 1.00 1.00 N ATOM 1109 CA LYS A 72 14.484 13.438 -1.971 1.00 1.11 C ATOM 1110 C LYS A 72 13.352 13.404 -0.928 1.00 1.18 C ATOM 1111 O LYS A 72 13.620 13.354 0.273 1.00 1.34 O ATOM 1112 CB LYS A 72 15.430 14.637 -1.767 1.00 1.25 C ATOM 1113 CG LYS A 72 16.522 14.755 -2.842 1.00 1.43 C ATOM 1114 CD LYS A 72 17.430 13.519 -2.963 1.00 1.21 C ATOM 1115 CE LYS A 72 18.328 13.684 -4.190 1.00 1.45 C ATOM 1116 NZ LYS A 72 19.170 12.493 -4.445 1.00 1.57 N ATOM 0 H LYS A 72 14.287 12.468 -3.801 1.00 1.00 H new ATOM 0 HA LYS A 72 15.042 12.520 -1.787 1.00 1.11 H new ATOM 0 HB2 LYS A 72 14.842 15.555 -1.758 1.00 1.25 H new ATOM 0 HB3 LYS A 72 15.904 14.552 -0.789 1.00 1.25 H new ATOM 0 HG2 LYS A 72 16.048 14.938 -3.806 1.00 1.43 H new ATOM 0 HG3 LYS A 72 17.140 15.625 -2.621 1.00 1.43 H new ATOM 0 HD2 LYS A 72 18.036 13.407 -2.064 1.00 1.21 H new ATOM 0 HD3 LYS A 72 16.827 12.616 -3.056 1.00 1.21 H new ATOM 0 HE2 LYS A 72 17.708 13.880 -5.065 1.00 1.45 H new ATOM 0 HE3 LYS A 72 18.969 14.555 -4.052 1.00 1.45 H new ATOM 0 HZ1 LYS A 72 19.118 12.241 -5.453 1.00 1.57 H new ATOM 0 HZ2 LYS A 72 20.156 12.704 -4.191 1.00 1.57 H new ATOM 0 HZ3 LYS A 72 18.828 11.696 -3.871 1.00 1.57 H new ATOM 1130 N GLY A 73 12.093 13.400 -1.375 1.00 1.18 N ATOM 1131 CA GLY A 73 10.894 13.353 -0.526 1.00 1.28 C ATOM 1132 C GLY A 73 10.497 11.937 -0.085 1.00 1.22 C ATOM 1133 O GLY A 73 10.997 10.945 -0.616 1.00 1.14 O ATOM 0 H GLY A 73 11.870 13.430 -2.370 1.00 1.18 H new ATOM 0 HA2 GLY A 73 11.065 13.964 0.360 1.00 1.28 H new ATOM 0 HA3 GLY A 73 10.060 13.801 -1.067 1.00 1.28 H new ATOM 1137 N ARG A 74 9.550 11.854 0.863 1.00 1.37 N ATOM 1138 CA ARG A 74 8.802 10.627 1.187 1.00 1.35 C ATOM 1139 C ARG A 74 7.296 10.895 1.303 1.00 1.67 C ATOM 1140 O ARG A 74 6.894 12.019 1.601 1.00 2.03 O ATOM 1141 CB ARG A 74 9.337 9.931 2.460 1.00 1.50 C ATOM 1142 CG ARG A 74 9.123 10.678 3.793 1.00 1.82 C ATOM 1143 CD ARG A 74 9.267 9.746 4.987 1.00 1.84 C ATOM 1144 NE ARG A 74 9.509 10.454 6.264 1.00 2.65 N ATOM 1145 CZ ARG A 74 8.600 10.842 7.159 1.00 3.61 C ATOM 1146 NH1 ARG A 74 7.308 10.690 6.972 1.00 4.45 N ATOM 1147 NH2 ARG A 74 8.991 11.410 8.286 1.00 4.54 N ATOM 0 H ARG A 74 9.277 12.652 1.437 1.00 1.37 H new ATOM 0 HA ARG A 74 8.959 9.942 0.353 1.00 1.35 H new ATOM 0 HB2 ARG A 74 8.865 8.952 2.538 1.00 1.50 H new ATOM 0 HB3 ARG A 74 10.406 9.760 2.332 1.00 1.50 H new ATOM 0 HG2 ARG A 74 9.845 11.490 3.876 1.00 1.82 H new ATOM 0 HG3 ARG A 74 8.132 11.131 3.802 1.00 1.82 H new ATOM 0 HD2 ARG A 74 8.362 9.145 5.080 1.00 1.84 H new ATOM 0 HD3 ARG A 74 10.090 9.056 4.802 1.00 1.84 H new ATOM 0 HE ARG A 74 10.481 10.670 6.484 1.00 2.65 H new ATOM 0 HH11 ARG A 74 6.964 10.260 6.114 1.00 4.45 H new ATOM 0 HH12 ARG A 74 6.649 11.002 7.685 1.00 4.45 H new ATOM 0 HH21 ARG A 74 9.985 11.550 8.469 1.00 4.54 H new ATOM 0 HH22 ARG A 74 8.299 11.708 8.974 1.00 4.54 H new ATOM 1161 N VAL A 75 6.492 9.849 1.117 1.00 1.78 N ATOM 1162 CA VAL A 75 5.033 9.800 1.343 1.00 2.32 C ATOM 1163 C VAL A 75 4.695 8.368 1.760 1.00 1.86 C ATOM 1164 O VAL A 75 5.181 7.427 1.142 1.00 1.75 O ATOM 1165 CB VAL A 75 4.214 10.171 0.076 1.00 3.12 C ATOM 1166 CG1 VAL A 75 2.698 10.059 0.333 1.00 3.74 C ATOM 1167 CG2 VAL A 75 4.500 11.597 -0.426 1.00 3.63 C ATOM 0 H VAL A 75 6.855 8.956 0.785 1.00 1.78 H new ATOM 0 HA VAL A 75 4.770 10.530 2.108 1.00 2.32 H new ATOM 0 HB VAL A 75 4.528 9.457 -0.685 1.00 3.12 H new ATOM 0 HG11 VAL A 75 2.155 10.325 -0.574 1.00 3.74 H new ATOM 0 HG12 VAL A 75 2.452 9.036 0.616 1.00 3.74 H new ATOM 0 HG13 VAL A 75 2.414 10.737 1.138 1.00 3.74 H new ATOM 0 HG21 VAL A 75 3.899 11.798 -1.313 1.00 3.63 H new ATOM 0 HG22 VAL A 75 4.247 12.315 0.354 1.00 3.63 H new ATOM 0 HG23 VAL A 75 5.557 11.690 -0.676 1.00 3.63 H new ATOM 1177 N GLU A 76 3.896 8.161 2.808 1.00 1.74 N ATOM 1178 CA GLU A 76 3.604 6.803 3.287 1.00 1.26 C ATOM 1179 C GLU A 76 2.263 6.298 2.750 1.00 1.01 C ATOM 1180 O GLU A 76 1.238 6.974 2.884 1.00 1.39 O ATOM 1181 CB GLU A 76 3.620 6.687 4.823 1.00 1.50 C ATOM 1182 CG GLU A 76 4.805 7.343 5.545 1.00 1.68 C ATOM 1183 CD GLU A 76 4.793 8.868 5.448 1.00 1.91 C ATOM 1184 OE1 GLU A 76 3.715 9.471 5.673 1.00 2.80 O ATOM 1185 OE2 GLU A 76 5.832 9.447 5.066 1.00 2.84 O ATOM 0 H GLU A 76 3.443 8.905 3.338 1.00 1.74 H new ATOM 0 HA GLU A 76 4.409 6.177 2.901 1.00 1.26 H new ATOM 0 HB2 GLU A 76 2.700 7.126 5.208 1.00 1.50 H new ATOM 0 HB3 GLU A 76 3.603 5.629 5.086 1.00 1.50 H new ATOM 0 HG2 GLU A 76 4.790 7.051 6.595 1.00 1.68 H new ATOM 0 HG3 GLU A 76 5.736 6.965 5.122 1.00 1.68 H new ATOM 1192 N LEU A 77 2.254 5.058 2.254 1.00 0.65 N ATOM 1193 CA LEU A 77 1.056 4.230 2.196 1.00 0.79 C ATOM 1194 C LEU A 77 0.656 3.855 3.631 1.00 1.36 C ATOM 1195 O LEU A 77 0.991 2.790 4.140 1.00 2.50 O ATOM 1196 CB LEU A 77 1.249 2.997 1.288 1.00 0.78 C ATOM 1197 CG LEU A 77 1.444 3.338 -0.207 1.00 0.76 C ATOM 1198 CD1 LEU A 77 2.912 3.232 -0.642 1.00 0.84 C ATOM 1199 CD2 LEU A 77 0.593 2.404 -1.084 1.00 0.97 C ATOM 0 H LEU A 77 3.086 4.601 1.880 1.00 0.65 H new ATOM 0 HA LEU A 77 0.242 4.793 1.739 1.00 0.79 H new ATOM 0 HB2 LEU A 77 2.115 2.434 1.637 1.00 0.78 H new ATOM 0 HB3 LEU A 77 0.382 2.344 1.391 1.00 0.78 H new ATOM 0 HG LEU A 77 1.125 4.372 -0.338 1.00 0.76 H new ATOM 0 HD11 LEU A 77 2.997 3.481 -1.700 1.00 0.84 H new ATOM 0 HD12 LEU A 77 3.516 3.925 -0.056 1.00 0.84 H new ATOM 0 HD13 LEU A 77 3.267 2.214 -0.479 1.00 0.84 H new ATOM 0 HD21 LEU A 77 0.741 2.656 -2.134 1.00 0.97 H new ATOM 0 HD22 LEU A 77 0.894 1.370 -0.913 1.00 0.97 H new ATOM 0 HD23 LEU A 77 -0.460 2.523 -0.827 1.00 0.97 H new ATOM 1211 N LYS A 78 0.017 4.799 4.313 1.00 1.08 N ATOM 1212 CA LYS A 78 -0.472 4.705 5.689 1.00 1.40 C ATOM 1213 C LYS A 78 -1.951 4.263 5.750 1.00 1.10 C ATOM 1214 O LYS A 78 -2.709 4.566 4.830 1.00 0.90 O ATOM 1215 CB LYS A 78 -0.256 6.086 6.348 1.00 1.77 C ATOM 1216 CG LYS A 78 -1.118 7.195 5.704 1.00 1.53 C ATOM 1217 CD LYS A 78 -0.695 8.631 6.039 1.00 1.94 C ATOM 1218 CE LYS A 78 0.727 8.880 5.529 1.00 2.01 C ATOM 1219 NZ LYS A 78 1.160 10.293 5.586 1.00 2.54 N ATOM 0 H LYS A 78 -0.187 5.707 3.897 1.00 1.08 H new ATOM 0 HA LYS A 78 0.080 3.937 6.231 1.00 1.40 H new ATOM 0 HB2 LYS A 78 -0.492 6.018 7.410 1.00 1.77 H new ATOM 0 HB3 LYS A 78 0.796 6.360 6.272 1.00 1.77 H new ATOM 0 HG2 LYS A 78 -1.093 7.069 4.622 1.00 1.53 H new ATOM 0 HG3 LYS A 78 -2.153 7.056 6.017 1.00 1.53 H new ATOM 0 HD2 LYS A 78 -1.385 9.340 5.582 1.00 1.94 H new ATOM 0 HD3 LYS A 78 -0.739 8.792 7.116 1.00 1.94 H new ATOM 0 HE2 LYS A 78 1.420 8.277 6.115 1.00 2.01 H new ATOM 0 HE3 LYS A 78 0.796 8.533 4.498 1.00 2.01 H new ATOM 0 HZ1 LYS A 78 2.198 10.336 5.641 1.00 2.54 H new ATOM 0 HZ2 LYS A 78 0.838 10.790 4.731 1.00 2.54 H new ATOM 0 HZ3 LYS A 78 0.750 10.748 6.426 1.00 2.54 H new ATOM 1233 N PRO A 79 -2.409 3.635 6.857 1.00 1.46 N ATOM 1234 CA PRO A 79 -3.818 3.269 7.043 1.00 1.61 C ATOM 1235 C PRO A 79 -4.774 4.465 6.929 1.00 1.36 C ATOM 1236 O PRO A 79 -5.867 4.313 6.389 1.00 2.35 O ATOM 1237 CB PRO A 79 -3.907 2.613 8.429 1.00 2.15 C ATOM 1238 CG PRO A 79 -2.640 3.066 9.152 1.00 2.18 C ATOM 1239 CD PRO A 79 -1.631 3.229 8.019 1.00 2.03 C ATOM 0 HA PRO A 79 -4.134 2.590 6.251 1.00 1.61 H new ATOM 0 HB2 PRO A 79 -4.803 2.932 8.962 1.00 2.15 H new ATOM 0 HB3 PRO A 79 -3.952 1.527 8.351 1.00 2.15 H new ATOM 0 HG2 PRO A 79 -2.796 4.001 9.690 1.00 2.18 H new ATOM 0 HG3 PRO A 79 -2.308 2.329 9.883 1.00 2.18 H new ATOM 0 HD2 PRO A 79 -0.879 3.978 8.268 1.00 2.03 H new ATOM 0 HD3 PRO A 79 -1.101 2.296 7.829 1.00 2.03 H new ATOM 1247 N GLY A 80 -4.354 5.657 7.375 1.00 0.83 N ATOM 1248 CA GLY A 80 -5.087 6.912 7.159 1.00 1.27 C ATOM 1249 C GLY A 80 -4.804 7.485 5.770 1.00 1.47 C ATOM 1250 O GLY A 80 -4.153 8.527 5.661 1.00 2.77 O ATOM 0 H GLY A 80 -3.488 5.778 7.900 1.00 0.83 H new ATOM 0 HA2 GLY A 80 -6.157 6.736 7.272 1.00 1.27 H new ATOM 0 HA3 GLY A 80 -4.802 7.638 7.920 1.00 1.27 H new ATOM 1254 N GLY A 81 -5.250 6.775 4.730 1.00 0.72 N ATOM 1255 CA GLY A 81 -5.057 7.129 3.321 1.00 0.78 C ATOM 1256 C GLY A 81 -4.553 5.961 2.477 1.00 0.85 C ATOM 1257 O GLY A 81 -5.227 4.940 2.355 1.00 1.62 O ATOM 0 H GLY A 81 -5.774 5.908 4.850 1.00 0.72 H new ATOM 0 HA2 GLY A 81 -6.001 7.487 2.909 1.00 0.78 H new ATOM 0 HA3 GLY A 81 -4.346 7.953 3.253 1.00 0.78 H new ATOM 1261 N TYR A 82 -3.416 6.143 1.802 1.00 0.75 N ATOM 1262 CA TYR A 82 -3.056 5.256 0.693 1.00 0.74 C ATOM 1263 C TYR A 82 -2.579 3.883 1.160 1.00 0.71 C ATOM 1264 O TYR A 82 -1.870 3.759 2.146 1.00 0.76 O ATOM 1265 CB TYR A 82 -1.979 5.897 -0.176 1.00 0.79 C ATOM 1266 CG TYR A 82 -2.446 7.148 -0.883 1.00 0.80 C ATOM 1267 CD1 TYR A 82 -3.379 7.025 -1.925 1.00 1.93 C ATOM 1268 CD2 TYR A 82 -1.952 8.415 -0.522 1.00 2.18 C ATOM 1269 CE1 TYR A 82 -3.764 8.155 -2.659 1.00 1.98 C ATOM 1270 CE2 TYR A 82 -2.364 9.559 -1.234 1.00 2.22 C ATOM 1271 CZ TYR A 82 -3.261 9.430 -2.320 1.00 1.01 C ATOM 1272 OH TYR A 82 -3.637 10.525 -3.036 1.00 1.16 O ATOM 0 H TYR A 82 -2.740 6.881 1.998 1.00 0.75 H new ATOM 0 HA TYR A 82 -3.966 5.107 0.112 1.00 0.74 H new ATOM 0 HB2 TYR A 82 -1.117 6.140 0.446 1.00 0.79 H new ATOM 0 HB3 TYR A 82 -1.642 5.173 -0.918 1.00 0.79 H new ATOM 0 HD1 TYR A 82 -3.800 6.059 -2.161 1.00 1.93 H new ATOM 0 HD2 TYR A 82 -1.258 8.511 0.300 1.00 2.18 H new ATOM 0 HE1 TYR A 82 -4.449 8.050 -3.488 1.00 1.98 H new ATOM 0 HE2 TYR A 82 -1.995 10.534 -0.951 1.00 2.22 H new ATOM 0 HH TYR A 82 -3.200 11.322 -2.669 1.00 1.16 H new ATOM 1282 N HIS A 83 -2.955 2.835 0.438 1.00 0.67 N ATOM 1283 CA HIS A 83 -2.617 1.459 0.823 1.00 0.62 C ATOM 1284 C HIS A 83 -2.712 0.493 -0.358 1.00 0.67 C ATOM 1285 O HIS A 83 -3.478 0.728 -1.293 1.00 0.77 O ATOM 1286 CB HIS A 83 -3.460 1.007 2.029 1.00 0.62 C ATOM 1287 CG HIS A 83 -4.946 0.976 1.780 1.00 0.60 C ATOM 1288 ND1 HIS A 83 -5.825 2.031 1.914 1.00 0.60 N ATOM 1289 CD2 HIS A 83 -5.663 -0.099 1.324 1.00 0.60 C ATOM 1290 CE1 HIS A 83 -7.041 1.599 1.535 1.00 0.58 C ATOM 1291 NE2 HIS A 83 -6.989 0.303 1.206 1.00 0.59 N ATOM 0 H HIS A 83 -3.497 2.906 -0.423 1.00 0.67 H new ATOM 0 HA HIS A 83 -1.573 1.445 1.135 1.00 0.62 H new ATOM 0 HB2 HIS A 83 -3.135 0.011 2.330 1.00 0.62 H new ATOM 0 HB3 HIS A 83 -3.259 1.675 2.867 1.00 0.62 H new ATOM 0 HD1 HIS A 83 -5.594 2.969 2.241 1.00 0.60 H new ATOM 0 HD2 HIS A 83 -5.270 -1.079 1.098 1.00 0.60 H new ATOM 0 HE1 HIS A 83 -7.931 2.210 1.501 1.00 0.58 H new ATOM 1299 N PHE A 84 -1.971 -0.615 -0.292 1.00 0.68 N ATOM 1300 CA PHE A 84 -2.104 -1.709 -1.253 1.00 0.82 C ATOM 1301 C PHE A 84 -3.136 -2.719 -0.762 1.00 0.82 C ATOM 1302 O PHE A 84 -2.940 -3.347 0.274 1.00 0.99 O ATOM 1303 CB PHE A 84 -0.752 -2.398 -1.468 1.00 0.93 C ATOM 1304 CG PHE A 84 0.204 -1.611 -2.335 1.00 0.95 C ATOM 1305 CD1 PHE A 84 -0.128 -1.382 -3.682 1.00 1.49 C ATOM 1306 CD2 PHE A 84 1.428 -1.139 -1.823 1.00 2.60 C ATOM 1307 CE1 PHE A 84 0.765 -0.698 -4.519 1.00 1.54 C ATOM 1308 CE2 PHE A 84 2.328 -0.462 -2.663 1.00 2.63 C ATOM 1309 CZ PHE A 84 1.997 -0.254 -4.011 1.00 1.11 C ATOM 0 H PHE A 84 -1.265 -0.778 0.426 1.00 0.68 H new ATOM 0 HA PHE A 84 -2.440 -1.297 -2.204 1.00 0.82 H new ATOM 0 HB2 PHE A 84 -0.287 -2.575 -0.498 1.00 0.93 H new ATOM 0 HB3 PHE A 84 -0.921 -3.374 -1.923 1.00 0.93 H new ATOM 0 HD1 PHE A 84 -1.072 -1.733 -4.072 1.00 1.49 H new ATOM 0 HD2 PHE A 84 1.675 -1.298 -0.784 1.00 2.60 H new ATOM 0 HE1 PHE A 84 0.506 -0.513 -5.551 1.00 1.54 H new ATOM 0 HE2 PHE A 84 3.269 -0.104 -2.274 1.00 2.63 H new ATOM 0 HZ PHE A 84 2.695 0.251 -4.662 1.00 1.11 H new ATOM 1319 N MET A 85 -4.210 -2.913 -1.523 1.00 0.71 N ATOM 1320 CA MET A 85 -5.198 -3.977 -1.327 1.00 0.64 C ATOM 1321 C MET A 85 -4.717 -5.248 -2.030 1.00 0.59 C ATOM 1322 O MET A 85 -4.432 -5.226 -3.227 1.00 0.65 O ATOM 1323 CB MET A 85 -6.571 -3.544 -1.845 1.00 0.68 C ATOM 1324 CG MET A 85 -7.692 -4.116 -0.957 1.00 0.75 C ATOM 1325 SD MET A 85 -8.036 -3.131 0.541 1.00 0.94 S ATOM 1326 CE MET A 85 -9.063 -4.286 1.496 1.00 0.54 C ATOM 0 H MET A 85 -4.426 -2.315 -2.321 1.00 0.71 H new ATOM 0 HA MET A 85 -5.302 -4.181 -0.261 1.00 0.64 H new ATOM 0 HB2 MET A 85 -6.633 -2.456 -1.861 1.00 0.68 H new ATOM 0 HB3 MET A 85 -6.703 -3.886 -2.871 1.00 0.68 H new ATOM 0 HG2 MET A 85 -8.605 -4.190 -1.547 1.00 0.75 H new ATOM 0 HG3 MET A 85 -7.422 -5.129 -0.658 1.00 0.75 H new ATOM 0 HE1 MET A 85 -9.351 -3.822 2.440 1.00 0.54 H new ATOM 0 HE2 MET A 85 -9.958 -4.534 0.926 1.00 0.54 H new ATOM 0 HE3 MET A 85 -8.497 -5.196 1.697 1.00 0.54 H new ATOM 1336 N LEU A 86 -4.635 -6.348 -1.289 1.00 0.54 N ATOM 1337 CA LEU A 86 -4.252 -7.673 -1.776 1.00 0.47 C ATOM 1338 C LEU A 86 -5.528 -8.521 -1.861 1.00 0.41 C ATOM 1339 O LEU A 86 -6.274 -8.596 -0.886 1.00 0.53 O ATOM 1340 CB LEU A 86 -3.269 -8.298 -0.772 1.00 0.57 C ATOM 1341 CG LEU A 86 -1.788 -7.874 -0.838 1.00 0.83 C ATOM 1342 CD1 LEU A 86 -1.550 -6.377 -0.579 1.00 1.01 C ATOM 1343 CD2 LEU A 86 -1.030 -8.675 0.235 1.00 1.43 C ATOM 0 H LEU A 86 -4.842 -6.343 -0.290 1.00 0.54 H new ATOM 0 HA LEU A 86 -3.774 -7.617 -2.754 1.00 0.47 H new ATOM 0 HB2 LEU A 86 -3.633 -8.077 0.231 1.00 0.57 H new ATOM 0 HB3 LEU A 86 -3.311 -9.380 -0.896 1.00 0.57 H new ATOM 0 HG LEU A 86 -1.439 -8.072 -1.851 1.00 0.83 H new ATOM 0 HD11 LEU A 86 -0.483 -6.162 -0.643 1.00 1.01 H new ATOM 0 HD12 LEU A 86 -2.085 -5.789 -1.325 1.00 1.01 H new ATOM 0 HD13 LEU A 86 -1.913 -6.118 0.416 1.00 1.01 H new ATOM 0 HD21 LEU A 86 0.025 -8.400 0.217 1.00 1.43 H new ATOM 0 HD22 LEU A 86 -1.447 -8.452 1.217 1.00 1.43 H new ATOM 0 HD23 LEU A 86 -1.130 -9.741 0.032 1.00 1.43 H new ATOM 1355 N LEU A 87 -5.797 -9.146 -3.010 1.00 0.49 N ATOM 1356 CA LEU A 87 -7.026 -9.923 -3.224 1.00 0.49 C ATOM 1357 C LEU A 87 -6.736 -11.404 -3.499 1.00 0.59 C ATOM 1358 O LEU A 87 -5.670 -11.777 -3.999 1.00 0.78 O ATOM 1359 CB LEU A 87 -7.889 -9.279 -4.328 1.00 0.62 C ATOM 1360 CG LEU A 87 -8.667 -8.022 -3.874 1.00 0.85 C ATOM 1361 CD1 LEU A 87 -7.844 -6.725 -3.935 1.00 2.04 C ATOM 1362 CD2 LEU A 87 -9.925 -7.852 -4.734 1.00 1.91 C ATOM 0 H LEU A 87 -5.173 -9.130 -3.817 1.00 0.49 H new ATOM 0 HA LEU A 87 -7.601 -9.899 -2.298 1.00 0.49 H new ATOM 0 HB2 LEU A 87 -7.246 -9.011 -5.166 1.00 0.62 H new ATOM 0 HB3 LEU A 87 -8.600 -10.019 -4.696 1.00 0.62 H new ATOM 0 HG LEU A 87 -8.922 -8.188 -2.827 1.00 0.85 H new ATOM 0 HD11 LEU A 87 -8.458 -5.888 -3.602 1.00 2.04 H new ATOM 0 HD12 LEU A 87 -6.972 -6.816 -3.287 1.00 2.04 H new ATOM 0 HD13 LEU A 87 -7.517 -6.549 -4.960 1.00 2.04 H new ATOM 0 HD21 LEU A 87 -10.470 -6.965 -4.410 1.00 1.91 H new ATOM 0 HD22 LEU A 87 -9.639 -7.740 -5.780 1.00 1.91 H new ATOM 0 HD23 LEU A 87 -10.562 -8.729 -4.624 1.00 1.91 H new ATOM 1374 N GLY A 88 -7.685 -12.257 -3.100 1.00 0.70 N ATOM 1375 CA GLY A 88 -7.664 -13.720 -3.248 1.00 0.96 C ATOM 1376 C GLY A 88 -6.767 -14.426 -2.227 1.00 1.34 C ATOM 1377 O GLY A 88 -7.158 -15.447 -1.675 1.00 2.89 O ATOM 0 H GLY A 88 -8.535 -11.930 -2.640 1.00 0.70 H new ATOM 0 HA2 GLY A 88 -8.681 -14.101 -3.151 1.00 0.96 H new ATOM 0 HA3 GLY A 88 -7.324 -13.970 -4.253 1.00 0.96 H new ATOM 1381 N LEU A 89 -5.594 -13.835 -1.975 1.00 0.50 N ATOM 1382 CA LEU A 89 -4.506 -14.253 -1.104 1.00 0.49 C ATOM 1383 C LEU A 89 -3.939 -15.647 -1.424 1.00 0.56 C ATOM 1384 O LEU A 89 -4.457 -16.399 -2.244 1.00 0.92 O ATOM 1385 CB LEU A 89 -4.939 -14.121 0.356 1.00 0.58 C ATOM 1386 CG LEU A 89 -5.624 -12.802 0.769 1.00 0.65 C ATOM 1387 CD1 LEU A 89 -5.786 -12.821 2.290 1.00 0.82 C ATOM 1388 CD2 LEU A 89 -4.845 -11.545 0.365 1.00 0.58 C ATOM 0 H LEU A 89 -5.365 -12.952 -2.432 1.00 0.50 H new ATOM 0 HA LEU A 89 -3.669 -13.580 -1.292 1.00 0.49 H new ATOM 0 HB2 LEU A 89 -5.620 -14.941 0.582 1.00 0.58 H new ATOM 0 HB3 LEU A 89 -4.058 -14.256 0.984 1.00 0.58 H new ATOM 0 HG LEU A 89 -6.579 -12.748 0.246 1.00 0.65 H new ATOM 0 HD11 LEU A 89 -6.269 -11.900 2.616 1.00 0.82 H new ATOM 0 HD12 LEU A 89 -6.399 -13.674 2.580 1.00 0.82 H new ATOM 0 HD13 LEU A 89 -4.806 -12.903 2.759 1.00 0.82 H new ATOM 0 HD21 LEU A 89 -5.390 -10.659 0.690 1.00 0.58 H new ATOM 0 HD22 LEU A 89 -3.862 -11.559 0.836 1.00 0.58 H new ATOM 0 HD23 LEU A 89 -4.728 -11.522 -0.718 1.00 0.58 H new ATOM 1400 N LYS A 90 -2.821 -15.968 -0.774 1.00 0.53 N ATOM 1401 CA LYS A 90 -2.147 -17.274 -0.765 1.00 0.62 C ATOM 1402 C LYS A 90 -1.822 -17.769 0.655 1.00 0.79 C ATOM 1403 O LYS A 90 -1.750 -18.970 0.904 1.00 0.96 O ATOM 1404 CB LYS A 90 -0.835 -17.153 -1.534 1.00 0.65 C ATOM 1405 CG LYS A 90 -0.904 -16.484 -2.917 1.00 0.64 C ATOM 1406 CD LYS A 90 -1.729 -17.275 -3.916 1.00 0.99 C ATOM 1407 CE LYS A 90 -1.814 -16.534 -5.255 1.00 1.01 C ATOM 1408 NZ LYS A 90 -2.757 -17.185 -6.196 1.00 1.52 N ATOM 0 H LYS A 90 -2.327 -15.282 -0.202 1.00 0.53 H new ATOM 0 HA LYS A 90 -2.827 -17.992 -1.223 1.00 0.62 H new ATOM 0 HB2 LYS A 90 -0.131 -16.592 -0.919 1.00 0.65 H new ATOM 0 HB3 LYS A 90 -0.421 -18.153 -1.660 1.00 0.65 H new ATOM 0 HG2 LYS A 90 -1.330 -15.486 -2.811 1.00 0.64 H new ATOM 0 HG3 LYS A 90 0.107 -16.360 -3.306 1.00 0.64 H new ATOM 0 HD2 LYS A 90 -1.283 -18.258 -4.066 1.00 0.99 H new ATOM 0 HD3 LYS A 90 -2.732 -17.437 -3.520 1.00 0.99 H new ATOM 0 HE2 LYS A 90 -2.130 -15.506 -5.080 1.00 1.01 H new ATOM 0 HE3 LYS A 90 -0.823 -16.490 -5.708 1.00 1.01 H new ATOM 0 HZ1 LYS A 90 -2.782 -16.650 -7.088 1.00 1.52 H new ATOM 0 HZ2 LYS A 90 -2.443 -18.158 -6.385 1.00 1.52 H new ATOM 0 HZ3 LYS A 90 -3.708 -17.204 -5.776 1.00 1.52 H new ATOM 1422 N ARG A 91 -1.618 -16.833 1.585 1.00 0.81 N ATOM 1423 CA ARG A 91 -1.572 -17.067 3.026 1.00 0.97 C ATOM 1424 C ARG A 91 -2.815 -16.418 3.654 1.00 0.98 C ATOM 1425 O ARG A 91 -3.048 -15.243 3.367 1.00 0.99 O ATOM 1426 CB ARG A 91 -0.307 -16.413 3.624 1.00 1.29 C ATOM 1427 CG ARG A 91 1.015 -17.095 3.227 1.00 1.27 C ATOM 1428 CD ARG A 91 1.247 -18.467 3.878 1.00 2.03 C ATOM 1429 NE ARG A 91 1.799 -18.369 5.248 1.00 2.94 N ATOM 1430 CZ ARG A 91 2.747 -19.126 5.784 1.00 3.83 C ATOM 1431 NH1 ARG A 91 3.287 -20.158 5.166 1.00 4.32 N ATOM 1432 NH2 ARG A 91 3.158 -18.830 6.992 1.00 4.80 N ATOM 0 H ARG A 91 -1.475 -15.853 1.342 1.00 0.81 H new ATOM 0 HA ARG A 91 -1.549 -18.138 3.229 1.00 0.97 H new ATOM 0 HB2 ARG A 91 -0.271 -15.370 3.311 1.00 1.29 H new ATOM 0 HB3 ARG A 91 -0.391 -16.417 4.711 1.00 1.29 H new ATOM 0 HG2 ARG A 91 1.037 -17.213 2.144 1.00 1.27 H new ATOM 0 HG3 ARG A 91 1.842 -16.437 3.493 1.00 1.27 H new ATOM 0 HD2 ARG A 91 0.304 -19.012 3.910 1.00 2.03 H new ATOM 0 HD3 ARG A 91 1.930 -19.047 3.257 1.00 2.03 H new ATOM 0 HE ARG A 91 1.408 -17.640 5.845 1.00 2.94 H new ATOM 0 HH11 ARG A 91 2.978 -20.409 4.227 1.00 4.32 H new ATOM 0 HH12 ARG A 91 4.014 -20.706 5.627 1.00 4.32 H new ATOM 0 HH21 ARG A 91 2.750 -18.039 7.490 1.00 4.80 H new ATOM 0 HH22 ARG A 91 3.886 -19.391 7.435 1.00 4.80 H new ATOM 1446 N PRO A 92 -3.558 -17.111 4.537 1.00 1.13 N ATOM 1447 CA PRO A 92 -4.433 -16.444 5.487 1.00 1.35 C ATOM 1448 C PRO A 92 -3.520 -15.765 6.511 1.00 1.48 C ATOM 1449 O PRO A 92 -2.924 -16.439 7.351 1.00 1.91 O ATOM 1450 CB PRO A 92 -5.320 -17.550 6.068 1.00 1.59 C ATOM 1451 CG PRO A 92 -4.451 -18.806 5.977 1.00 1.56 C ATOM 1452 CD PRO A 92 -3.546 -18.550 4.769 1.00 1.23 C ATOM 0 HA PRO A 92 -5.082 -15.672 5.074 1.00 1.35 H new ATOM 0 HB2 PRO A 92 -5.604 -17.335 7.098 1.00 1.59 H new ATOM 0 HB3 PRO A 92 -6.243 -17.661 5.500 1.00 1.59 H new ATOM 0 HG2 PRO A 92 -3.869 -18.954 6.886 1.00 1.56 H new ATOM 0 HG3 PRO A 92 -5.058 -19.701 5.838 1.00 1.56 H new ATOM 0 HD2 PRO A 92 -2.533 -18.903 4.962 1.00 1.23 H new ATOM 0 HD3 PRO A 92 -3.909 -19.087 3.892 1.00 1.23 H new ATOM 1460 N LEU A 93 -3.329 -14.450 6.362 1.00 1.35 N ATOM 1461 CA LEU A 93 -2.191 -13.731 6.949 1.00 1.32 C ATOM 1462 C LEU A 93 -2.530 -13.091 8.304 1.00 1.54 C ATOM 1463 O LEU A 93 -3.545 -12.410 8.479 1.00 2.06 O ATOM 1464 CB LEU A 93 -1.523 -12.812 5.899 1.00 1.51 C ATOM 1465 CG LEU A 93 -2.345 -11.651 5.292 1.00 1.55 C ATOM 1466 CD1 LEU A 93 -2.258 -10.371 6.136 1.00 2.83 C ATOM 1467 CD2 LEU A 93 -1.837 -11.324 3.880 1.00 1.62 C ATOM 0 H LEU A 93 -3.961 -13.852 5.830 1.00 1.35 H new ATOM 0 HA LEU A 93 -1.415 -14.448 7.219 1.00 1.32 H new ATOM 0 HB2 LEU A 93 -0.632 -12.381 6.357 1.00 1.51 H new ATOM 0 HB3 LEU A 93 -1.185 -13.442 5.076 1.00 1.51 H new ATOM 0 HG LEU A 93 -3.382 -11.985 5.266 1.00 1.55 H new ATOM 0 HD11 LEU A 93 -2.852 -9.586 5.668 1.00 2.83 H new ATOM 0 HD12 LEU A 93 -2.642 -10.568 7.137 1.00 2.83 H new ATOM 0 HD13 LEU A 93 -1.219 -10.049 6.203 1.00 2.83 H new ATOM 0 HD21 LEU A 93 -2.423 -10.505 3.463 1.00 1.62 H new ATOM 0 HD22 LEU A 93 -0.788 -11.031 3.929 1.00 1.62 H new ATOM 0 HD23 LEU A 93 -1.938 -12.203 3.244 1.00 1.62 H new ATOM 1479 N LYS A 94 -1.685 -13.389 9.293 1.00 1.39 N ATOM 1480 CA LYS A 94 -1.900 -13.143 10.716 1.00 1.50 C ATOM 1481 C LYS A 94 -0.694 -12.494 11.410 1.00 1.09 C ATOM 1482 O LYS A 94 0.413 -12.444 10.885 1.00 1.51 O ATOM 1483 CB LYS A 94 -2.108 -14.506 11.371 1.00 2.02 C ATOM 1484 CG LYS A 94 -3.305 -15.307 10.843 1.00 3.22 C ATOM 1485 CD LYS A 94 -3.118 -16.752 11.305 1.00 3.30 C ATOM 1486 CE LYS A 94 -2.688 -17.705 10.175 1.00 3.81 C ATOM 1487 NZ LYS A 94 -1.330 -17.410 9.652 1.00 3.85 N ATOM 0 H LYS A 94 -0.785 -13.832 9.110 1.00 1.39 H new ATOM 0 HA LYS A 94 -2.747 -12.464 10.815 1.00 1.50 H new ATOM 0 HB2 LYS A 94 -1.204 -15.100 11.233 1.00 2.02 H new ATOM 0 HB3 LYS A 94 -2.233 -14.361 12.444 1.00 2.02 H new ATOM 0 HG2 LYS A 94 -4.241 -14.898 11.225 1.00 3.22 H new ATOM 0 HG3 LYS A 94 -3.355 -15.254 9.755 1.00 3.22 H new ATOM 0 HD2 LYS A 94 -2.369 -16.778 12.097 1.00 3.30 H new ATOM 0 HD3 LYS A 94 -4.052 -17.111 11.737 1.00 3.30 H new ATOM 0 HE2 LYS A 94 -2.715 -18.731 10.543 1.00 3.81 H new ATOM 0 HE3 LYS A 94 -3.408 -17.640 9.359 1.00 3.81 H new ATOM 0 HZ1 LYS A 94 -1.149 -17.991 8.809 1.00 3.85 H new ATOM 0 HZ2 LYS A 94 -1.267 -16.403 9.399 1.00 3.85 H new ATOM 0 HZ3 LYS A 94 -0.622 -17.629 10.382 1.00 3.85 H new ATOM 1501 N ALA A 95 -0.895 -12.105 12.664 1.00 1.06 N ATOM 1502 CA ALA A 95 0.141 -11.478 13.468 1.00 1.03 C ATOM 1503 C ALA A 95 1.269 -12.484 13.754 1.00 1.24 C ATOM 1504 O ALA A 95 1.016 -13.584 14.246 1.00 1.46 O ATOM 1505 CB ALA A 95 -0.497 -10.892 14.732 1.00 1.13 C ATOM 0 H ALA A 95 -1.784 -12.217 13.151 1.00 1.06 H new ATOM 0 HA ALA A 95 0.606 -10.652 12.930 1.00 1.03 H new ATOM 0 HB1 ALA A 95 0.272 -10.419 15.342 1.00 1.13 H new ATOM 0 HB2 ALA A 95 -1.245 -10.150 14.452 1.00 1.13 H new ATOM 0 HB3 ALA A 95 -0.973 -11.689 15.302 1.00 1.13 H new ATOM 1511 N GLY A 96 2.493 -12.093 13.391 1.00 1.33 N ATOM 1512 CA GLY A 96 3.717 -12.901 13.502 1.00 1.64 C ATOM 1513 C GLY A 96 4.186 -13.571 12.204 1.00 1.64 C ATOM 1514 O GLY A 96 5.123 -14.362 12.251 1.00 1.88 O ATOM 0 H GLY A 96 2.669 -11.169 12.996 1.00 1.33 H new ATOM 0 HA2 GLY A 96 4.520 -12.264 13.872 1.00 1.64 H new ATOM 0 HA3 GLY A 96 3.554 -13.675 14.252 1.00 1.64 H new ATOM 1518 N GLU A 97 3.559 -13.261 11.066 1.00 1.52 N ATOM 1519 CA GLU A 97 4.112 -13.497 9.727 1.00 1.51 C ATOM 1520 C GLU A 97 4.859 -12.262 9.200 1.00 1.40 C ATOM 1521 O GLU A 97 4.983 -11.240 9.873 1.00 1.29 O ATOM 1522 CB GLU A 97 2.977 -13.921 8.772 1.00 1.54 C ATOM 1523 CG GLU A 97 2.498 -15.326 9.166 1.00 1.64 C ATOM 1524 CD GLU A 97 1.279 -15.863 8.421 1.00 2.00 C ATOM 1525 OE1 GLU A 97 0.151 -15.422 8.727 1.00 2.92 O ATOM 1526 OE2 GLU A 97 1.411 -16.868 7.681 1.00 2.58 O ATOM 0 H GLU A 97 2.635 -12.830 11.048 1.00 1.52 H new ATOM 0 HA GLU A 97 4.844 -14.303 9.785 1.00 1.51 H new ATOM 0 HB2 GLU A 97 2.152 -13.211 8.828 1.00 1.54 H new ATOM 0 HB3 GLU A 97 3.330 -13.918 7.741 1.00 1.54 H new ATOM 0 HG2 GLU A 97 3.323 -16.022 9.017 1.00 1.64 H new ATOM 0 HG3 GLU A 97 2.272 -15.323 10.232 1.00 1.64 H new ATOM 1533 N GLU A 98 5.307 -12.351 7.953 1.00 1.50 N ATOM 1534 CA GLU A 98 6.017 -11.373 7.165 1.00 1.36 C ATOM 1535 C GLU A 98 5.609 -11.634 5.714 1.00 1.37 C ATOM 1536 O GLU A 98 5.206 -12.742 5.347 1.00 1.71 O ATOM 1537 CB GLU A 98 7.547 -11.506 7.296 1.00 1.54 C ATOM 1538 CG GLU A 98 8.109 -11.177 8.682 1.00 1.96 C ATOM 1539 CD GLU A 98 9.630 -11.115 8.623 1.00 2.14 C ATOM 1540 OE1 GLU A 98 10.139 -10.050 8.206 1.00 2.60 O ATOM 1541 OE2 GLU A 98 10.257 -12.142 8.960 1.00 3.15 O ATOM 0 H GLU A 98 5.161 -13.208 7.419 1.00 1.50 H new ATOM 0 HA GLU A 98 5.766 -10.369 7.506 1.00 1.36 H new ATOM 0 HB2 GLU A 98 7.831 -12.526 7.038 1.00 1.54 H new ATOM 0 HB3 GLU A 98 8.018 -10.849 6.564 1.00 1.54 H new ATOM 0 HG2 GLU A 98 7.711 -10.223 9.029 1.00 1.96 H new ATOM 0 HG3 GLU A 98 7.795 -11.934 9.401 1.00 1.96 H new ATOM 1548 N VAL A 99 5.701 -10.586 4.913 1.00 1.02 N ATOM 1549 CA VAL A 99 5.311 -10.511 3.504 1.00 0.94 C ATOM 1550 C VAL A 99 6.241 -9.535 2.780 1.00 0.65 C ATOM 1551 O VAL A 99 6.565 -8.460 3.277 1.00 0.63 O ATOM 1552 CB VAL A 99 3.843 -10.057 3.358 1.00 1.06 C ATOM 1553 CG1 VAL A 99 3.461 -9.817 1.889 1.00 1.39 C ATOM 1554 CG2 VAL A 99 2.854 -11.060 3.992 1.00 1.38 C ATOM 0 H VAL A 99 6.076 -9.699 5.249 1.00 1.02 H new ATOM 0 HA VAL A 99 5.398 -11.502 3.060 1.00 0.94 H new ATOM 0 HB VAL A 99 3.768 -9.113 3.898 1.00 1.06 H new ATOM 0 HG11 VAL A 99 2.420 -9.499 1.831 1.00 1.39 H new ATOM 0 HG12 VAL A 99 4.101 -9.042 1.469 1.00 1.39 H new ATOM 0 HG13 VAL A 99 3.590 -10.740 1.324 1.00 1.39 H new ATOM 0 HG21 VAL A 99 1.835 -10.696 3.864 1.00 1.38 H new ATOM 0 HG22 VAL A 99 2.957 -12.030 3.505 1.00 1.38 H new ATOM 0 HG23 VAL A 99 3.071 -11.163 5.055 1.00 1.38 H new ATOM 1564 N GLU A 100 6.626 -9.922 1.571 1.00 0.63 N ATOM 1565 CA GLU A 100 7.460 -9.127 0.664 1.00 0.53 C ATOM 1566 C GLU A 100 6.622 -8.533 -0.474 1.00 0.48 C ATOM 1567 O GLU A 100 5.612 -9.115 -0.882 1.00 0.49 O ATOM 1568 CB GLU A 100 8.655 -9.951 0.156 1.00 0.80 C ATOM 1569 CG GLU A 100 8.315 -11.093 -0.822 1.00 1.44 C ATOM 1570 CD GLU A 100 8.764 -10.766 -2.247 1.00 1.86 C ATOM 1571 OE1 GLU A 100 8.021 -10.094 -2.997 1.00 3.16 O ATOM 1572 OE2 GLU A 100 9.906 -11.115 -2.613 1.00 2.17 O ATOM 0 H GLU A 100 6.361 -10.825 1.177 1.00 0.63 H new ATOM 0 HA GLU A 100 7.873 -8.284 1.218 1.00 0.53 H new ATOM 0 HB2 GLU A 100 9.356 -9.275 -0.334 1.00 0.80 H new ATOM 0 HB3 GLU A 100 9.171 -10.377 1.017 1.00 0.80 H new ATOM 0 HG2 GLU A 100 8.797 -12.013 -0.490 1.00 1.44 H new ATOM 0 HG3 GLU A 100 7.240 -11.274 -0.811 1.00 1.44 H new ATOM 1579 N LEU A 101 7.042 -7.367 -0.968 1.00 0.61 N ATOM 1580 CA LEU A 101 6.394 -6.628 -2.051 1.00 0.60 C ATOM 1581 C LEU A 101 7.422 -6.178 -3.107 1.00 0.63 C ATOM 1582 O LEU A 101 8.459 -5.596 -2.781 1.00 0.65 O ATOM 1583 CB LEU A 101 5.639 -5.400 -1.480 1.00 0.71 C ATOM 1584 CG LEU A 101 4.101 -5.502 -1.491 1.00 0.85 C ATOM 1585 CD1 LEU A 101 3.552 -6.353 -0.339 1.00 1.38 C ATOM 1586 CD2 LEU A 101 3.478 -4.103 -1.386 1.00 1.74 C ATOM 0 H LEU A 101 7.873 -6.895 -0.611 1.00 0.61 H new ATOM 0 HA LEU A 101 5.679 -7.292 -2.537 1.00 0.60 H new ATOM 0 HB2 LEU A 101 5.968 -5.239 -0.453 1.00 0.71 H new ATOM 0 HB3 LEU A 101 5.931 -4.518 -2.050 1.00 0.71 H new ATOM 0 HG LEU A 101 3.835 -5.983 -2.432 1.00 0.85 H new ATOM 0 HD11 LEU A 101 2.464 -6.388 -0.399 1.00 1.38 H new ATOM 0 HD12 LEU A 101 3.952 -7.364 -0.411 1.00 1.38 H new ATOM 0 HD13 LEU A 101 3.849 -5.912 0.613 1.00 1.38 H new ATOM 0 HD21 LEU A 101 2.391 -4.187 -1.395 1.00 1.74 H new ATOM 0 HD22 LEU A 101 3.798 -3.631 -0.457 1.00 1.74 H new ATOM 0 HD23 LEU A 101 3.802 -3.496 -2.232 1.00 1.74 H new ATOM 1598 N ASP A 102 7.073 -6.386 -4.375 1.00 0.73 N ATOM 1599 CA ASP A 102 7.625 -5.703 -5.550 1.00 0.70 C ATOM 1600 C ASP A 102 6.801 -4.419 -5.768 1.00 0.67 C ATOM 1601 O ASP A 102 5.580 -4.490 -5.909 1.00 0.82 O ATOM 1602 CB ASP A 102 7.425 -6.601 -6.790 1.00 0.77 C ATOM 1603 CG ASP A 102 8.559 -7.498 -7.276 1.00 1.25 C ATOM 1604 OD1 ASP A 102 9.619 -7.558 -6.622 1.00 2.00 O ATOM 1605 OD2 ASP A 102 8.325 -8.167 -8.316 1.00 2.13 O ATOM 0 H ASP A 102 6.360 -7.071 -4.627 1.00 0.73 H new ATOM 0 HA ASP A 102 8.683 -5.485 -5.404 1.00 0.70 H new ATOM 0 HB2 ASP A 102 6.568 -7.243 -6.589 1.00 0.77 H new ATOM 0 HB3 ASP A 102 7.149 -5.950 -7.620 1.00 0.77 H new ATOM 1610 N LEU A 103 7.435 -3.247 -5.830 1.00 0.59 N ATOM 1611 CA LEU A 103 6.815 -1.977 -6.182 1.00 0.56 C ATOM 1612 C LEU A 103 7.081 -1.673 -7.655 1.00 0.54 C ATOM 1613 O LEU A 103 8.224 -1.747 -8.101 1.00 0.62 O ATOM 1614 CB LEU A 103 7.412 -0.879 -5.295 1.00 0.59 C ATOM 1615 CG LEU A 103 6.813 -0.833 -3.882 1.00 0.67 C ATOM 1616 CD1 LEU A 103 6.968 -2.108 -3.049 1.00 1.01 C ATOM 1617 CD2 LEU A 103 7.442 0.358 -3.155 1.00 0.94 C ATOM 0 H LEU A 103 8.431 -3.157 -5.628 1.00 0.59 H new ATOM 0 HA LEU A 103 5.737 -2.024 -6.025 1.00 0.56 H new ATOM 0 HB2 LEU A 103 8.489 -1.031 -5.219 1.00 0.59 H new ATOM 0 HB3 LEU A 103 7.260 0.087 -5.776 1.00 0.59 H new ATOM 0 HG LEU A 103 5.734 -0.732 -4.000 1.00 0.67 H new ATOM 0 HD11 LEU A 103 6.509 -1.962 -2.071 1.00 1.01 H new ATOM 0 HD12 LEU A 103 6.479 -2.938 -3.559 1.00 1.01 H new ATOM 0 HD13 LEU A 103 8.027 -2.334 -2.923 1.00 1.01 H new ATOM 0 HD21 LEU A 103 7.038 0.422 -2.144 1.00 0.94 H new ATOM 0 HD22 LEU A 103 8.523 0.225 -3.106 1.00 0.94 H new ATOM 0 HD23 LEU A 103 7.213 1.276 -3.696 1.00 0.94 H new ATOM 1629 N LEU A 104 6.023 -1.307 -8.386 1.00 0.47 N ATOM 1630 CA LEU A 104 6.045 -1.057 -9.821 1.00 0.47 C ATOM 1631 C LEU A 104 5.932 0.449 -10.082 1.00 0.46 C ATOM 1632 O LEU A 104 4.942 1.087 -9.711 1.00 0.49 O ATOM 1633 CB LEU A 104 4.890 -1.833 -10.485 1.00 0.48 C ATOM 1634 CG LEU A 104 4.852 -3.349 -10.193 1.00 0.54 C ATOM 1635 CD1 LEU A 104 3.676 -3.977 -10.956 1.00 0.68 C ATOM 1636 CD2 LEU A 104 6.154 -4.069 -10.572 1.00 0.63 C ATOM 0 H LEU A 104 5.099 -1.174 -7.976 1.00 0.47 H new ATOM 0 HA LEU A 104 6.985 -1.402 -10.252 1.00 0.47 H new ATOM 0 HB2 LEU A 104 3.947 -1.394 -10.160 1.00 0.48 H new ATOM 0 HB3 LEU A 104 4.953 -1.690 -11.564 1.00 0.48 H new ATOM 0 HG LEU A 104 4.728 -3.469 -9.117 1.00 0.54 H new ATOM 0 HD11 LEU A 104 3.642 -5.048 -10.755 1.00 0.68 H new ATOM 0 HD12 LEU A 104 2.743 -3.517 -10.630 1.00 0.68 H new ATOM 0 HD13 LEU A 104 3.807 -3.813 -12.026 1.00 0.68 H new ATOM 0 HD21 LEU A 104 6.063 -5.131 -10.342 1.00 0.63 H new ATOM 0 HD22 LEU A 104 6.342 -3.943 -11.638 1.00 0.63 H new ATOM 0 HD23 LEU A 104 6.983 -3.645 -10.005 1.00 0.63 H new ATOM 1648 N PHE A 105 6.935 1.028 -10.740 1.00 0.50 N ATOM 1649 CA PHE A 105 7.002 2.443 -11.117 1.00 0.52 C ATOM 1650 C PHE A 105 6.952 2.598 -12.641 1.00 0.56 C ATOM 1651 O PHE A 105 7.266 1.672 -13.395 1.00 0.87 O ATOM 1652 CB PHE A 105 8.287 3.074 -10.555 1.00 0.58 C ATOM 1653 CG PHE A 105 8.460 3.007 -9.049 1.00 0.57 C ATOM 1654 CD1 PHE A 105 8.916 1.822 -8.427 1.00 1.87 C ATOM 1655 CD2 PHE A 105 8.204 4.149 -8.265 1.00 1.80 C ATOM 1656 CE1 PHE A 105 9.110 1.795 -7.036 1.00 1.91 C ATOM 1657 CE2 PHE A 105 8.397 4.113 -6.875 1.00 1.79 C ATOM 1658 CZ PHE A 105 8.856 2.936 -6.260 1.00 0.65 C ATOM 0 H PHE A 105 7.758 0.504 -11.038 1.00 0.50 H new ATOM 0 HA PHE A 105 6.140 2.959 -10.694 1.00 0.52 H new ATOM 0 HB2 PHE A 105 9.142 2.584 -11.021 1.00 0.58 H new ATOM 0 HB3 PHE A 105 8.316 4.121 -10.857 1.00 0.58 H new ATOM 0 HD1 PHE A 105 9.114 0.941 -9.019 1.00 1.87 H new ATOM 0 HD2 PHE A 105 7.857 5.057 -8.736 1.00 1.80 H new ATOM 0 HE1 PHE A 105 9.457 0.890 -6.561 1.00 1.91 H new ATOM 0 HE2 PHE A 105 8.193 4.990 -6.278 1.00 1.79 H new ATOM 0 HZ PHE A 105 9.013 2.910 -5.192 1.00 0.65 H new ATOM 1668 N ALA A 106 6.598 3.812 -13.080 1.00 0.64 N ATOM 1669 CA ALA A 106 6.691 4.221 -14.480 1.00 0.82 C ATOM 1670 C ALA A 106 8.088 3.923 -15.068 1.00 1.65 C ATOM 1671 O ALA A 106 9.099 4.008 -14.368 1.00 2.49 O ATOM 1672 CB ALA A 106 6.321 5.708 -14.580 1.00 1.03 C ATOM 0 H ALA A 106 6.236 4.541 -12.466 1.00 0.64 H new ATOM 0 HA ALA A 106 5.989 3.641 -15.079 1.00 0.82 H new ATOM 0 HB1 ALA A 106 6.385 6.030 -15.619 1.00 1.03 H new ATOM 0 HB2 ALA A 106 5.304 5.855 -14.217 1.00 1.03 H new ATOM 0 HB3 ALA A 106 7.011 6.296 -13.975 1.00 1.03 H new ATOM 1678 N GLY A 107 8.129 3.517 -16.341 1.00 2.39 N ATOM 1679 CA GLY A 107 9.335 2.989 -17.000 1.00 3.22 C ATOM 1680 C GLY A 107 9.547 1.477 -16.818 1.00 2.54 C ATOM 1681 O GLY A 107 10.481 0.938 -17.401 1.00 3.63 O ATOM 0 H GLY A 107 7.315 3.545 -16.955 1.00 2.39 H new ATOM 0 HA2 GLY A 107 9.278 3.210 -18.066 1.00 3.22 H new ATOM 0 HA3 GLY A 107 10.207 3.515 -16.611 1.00 3.22 H new ATOM 1685 N GLY A 108 8.694 0.793 -16.038 1.00 1.47 N ATOM 1686 CA GLY A 108 8.730 -0.667 -15.860 1.00 2.05 C ATOM 1687 C GLY A 108 9.611 -1.134 -14.698 1.00 2.02 C ATOM 1688 O GLY A 108 9.976 -2.303 -14.629 1.00 2.90 O ATOM 0 H GLY A 108 7.950 1.245 -15.506 1.00 1.47 H new ATOM 0 HA2 GLY A 108 7.714 -1.028 -15.699 1.00 2.05 H new ATOM 0 HA3 GLY A 108 9.089 -1.126 -16.781 1.00 2.05 H new ATOM 1692 N LYS A 109 9.983 -0.238 -13.778 1.00 1.20 N ATOM 1693 CA LYS A 109 10.931 -0.512 -12.710 1.00 1.15 C ATOM 1694 C LYS A 109 10.301 -1.301 -11.550 1.00 1.08 C ATOM 1695 O LYS A 109 9.242 -0.932 -11.050 1.00 1.14 O ATOM 1696 CB LYS A 109 11.432 0.851 -12.229 1.00 1.15 C ATOM 1697 CG LYS A 109 12.677 0.802 -11.356 1.00 2.55 C ATOM 1698 CD LYS A 109 13.008 2.224 -10.877 1.00 2.84 C ATOM 1699 CE LYS A 109 14.241 2.244 -9.966 1.00 4.65 C ATOM 1700 NZ LYS A 109 14.525 3.617 -9.468 1.00 5.30 N ATOM 0 H LYS A 109 9.622 0.716 -13.761 1.00 1.20 H new ATOM 0 HA LYS A 109 11.743 -1.138 -13.080 1.00 1.15 H new ATOM 0 HB2 LYS A 109 11.640 1.474 -13.099 1.00 1.15 H new ATOM 0 HB3 LYS A 109 10.633 1.340 -11.671 1.00 1.15 H new ATOM 0 HG2 LYS A 109 12.512 0.146 -10.502 1.00 2.55 H new ATOM 0 HG3 LYS A 109 13.515 0.389 -11.918 1.00 2.55 H new ATOM 0 HD2 LYS A 109 13.183 2.867 -11.740 1.00 2.84 H new ATOM 0 HD3 LYS A 109 12.153 2.635 -10.341 1.00 2.84 H new ATOM 0 HE2 LYS A 109 14.082 1.574 -9.121 1.00 4.65 H new ATOM 0 HE3 LYS A 109 15.106 1.867 -10.513 1.00 4.65 H new ATOM 0 HZ1 LYS A 109 15.365 3.597 -8.855 1.00 5.30 H new ATOM 0 HZ2 LYS A 109 14.700 4.250 -10.275 1.00 5.30 H new ATOM 0 HZ3 LYS A 109 13.709 3.965 -8.926 1.00 5.30 H new ATOM 1714 N VAL A 110 11.027 -2.315 -11.095 1.00 1.11 N ATOM 1715 CA VAL A 110 10.702 -3.168 -9.943 1.00 1.13 C ATOM 1716 C VAL A 110 11.633 -2.822 -8.773 1.00 0.89 C ATOM 1717 O VAL A 110 12.835 -2.656 -8.980 1.00 0.91 O ATOM 1718 CB VAL A 110 10.831 -4.666 -10.307 1.00 1.38 C ATOM 1719 CG1 VAL A 110 10.518 -5.570 -9.108 1.00 2.14 C ATOM 1720 CG2 VAL A 110 9.890 -5.049 -11.466 1.00 1.88 C ATOM 0 H VAL A 110 11.905 -2.584 -11.538 1.00 1.11 H new ATOM 0 HA VAL A 110 9.668 -2.984 -9.652 1.00 1.13 H new ATOM 0 HB VAL A 110 11.866 -4.816 -10.613 1.00 1.38 H new ATOM 0 HG11 VAL A 110 10.619 -6.614 -9.403 1.00 2.14 H new ATOM 0 HG12 VAL A 110 11.214 -5.353 -8.297 1.00 2.14 H new ATOM 0 HG13 VAL A 110 9.498 -5.386 -8.770 1.00 2.14 H new ATOM 0 HG21 VAL A 110 10.007 -6.108 -11.695 1.00 1.88 H new ATOM 0 HG22 VAL A 110 8.858 -4.852 -11.177 1.00 1.88 H new ATOM 0 HG23 VAL A 110 10.139 -4.458 -12.347 1.00 1.88 H new ATOM 1730 N LEU A 111 11.087 -2.726 -7.555 1.00 0.79 N ATOM 1731 CA LEU A 111 11.856 -2.510 -6.322 1.00 0.70 C ATOM 1732 C LEU A 111 11.287 -3.328 -5.153 1.00 0.77 C ATOM 1733 O LEU A 111 10.088 -3.294 -4.904 1.00 0.94 O ATOM 1734 CB LEU A 111 11.846 -1.003 -6.004 1.00 0.74 C ATOM 1735 CG LEU A 111 12.599 -0.587 -4.723 1.00 1.13 C ATOM 1736 CD1 LEU A 111 14.101 -0.903 -4.810 1.00 1.91 C ATOM 1737 CD2 LEU A 111 12.401 0.917 -4.481 1.00 1.85 C ATOM 0 H LEU A 111 10.082 -2.797 -7.395 1.00 0.79 H new ATOM 0 HA LEU A 111 12.881 -2.850 -6.468 1.00 0.70 H new ATOM 0 HB2 LEU A 111 12.280 -0.469 -6.849 1.00 0.74 H new ATOM 0 HB3 LEU A 111 10.810 -0.675 -5.918 1.00 0.74 H new ATOM 0 HG LEU A 111 12.189 -1.161 -3.892 1.00 1.13 H new ATOM 0 HD11 LEU A 111 14.592 -0.594 -3.887 1.00 1.91 H new ATOM 0 HD12 LEU A 111 14.240 -1.975 -4.953 1.00 1.91 H new ATOM 0 HD13 LEU A 111 14.538 -0.365 -5.651 1.00 1.91 H new ATOM 0 HD21 LEU A 111 12.932 1.213 -3.576 1.00 1.85 H new ATOM 0 HD22 LEU A 111 12.792 1.477 -5.331 1.00 1.85 H new ATOM 0 HD23 LEU A 111 11.338 1.130 -4.364 1.00 1.85 H new ATOM 1749 N LYS A 112 12.145 -4.011 -4.395 1.00 0.98 N ATOM 1750 CA LYS A 112 11.717 -4.787 -3.224 1.00 1.19 C ATOM 1751 C LYS A 112 11.487 -3.905 -1.977 1.00 1.13 C ATOM 1752 O LYS A 112 12.401 -3.216 -1.528 1.00 1.59 O ATOM 1753 CB LYS A 112 12.757 -5.896 -2.954 1.00 2.11 C ATOM 1754 CG LYS A 112 12.250 -6.999 -2.002 1.00 2.37 C ATOM 1755 CD LYS A 112 11.696 -8.240 -2.719 1.00 1.96 C ATOM 1756 CE LYS A 112 10.588 -7.910 -3.727 1.00 2.38 C ATOM 1757 NZ LYS A 112 10.141 -9.106 -4.467 1.00 2.65 N ATOM 0 H LYS A 112 13.149 -4.044 -4.571 1.00 0.98 H new ATOM 0 HA LYS A 112 10.750 -5.239 -3.443 1.00 1.19 H new ATOM 0 HB2 LYS A 112 13.046 -6.350 -3.902 1.00 2.11 H new ATOM 0 HB3 LYS A 112 13.654 -5.446 -2.530 1.00 2.11 H new ATOM 0 HG2 LYS A 112 13.068 -7.305 -1.349 1.00 2.37 H new ATOM 0 HG3 LYS A 112 11.471 -6.583 -1.364 1.00 2.37 H new ATOM 0 HD2 LYS A 112 12.510 -8.747 -3.237 1.00 1.96 H new ATOM 0 HD3 LYS A 112 11.307 -8.937 -1.977 1.00 1.96 H new ATOM 0 HE2 LYS A 112 9.740 -7.470 -3.203 1.00 2.38 H new ATOM 0 HE3 LYS A 112 10.950 -7.162 -4.432 1.00 2.38 H new ATOM 0 HZ1 LYS A 112 10.092 -8.888 -5.483 1.00 2.65 H new ATOM 0 HZ2 LYS A 112 10.815 -9.882 -4.312 1.00 2.65 H new ATOM 0 HZ3 LYS A 112 9.200 -9.392 -4.129 1.00 2.65 H new ATOM 1771 N VAL A 113 10.304 -4.015 -1.376 1.00 0.94 N ATOM 1772 CA VAL A 113 10.000 -3.671 0.030 1.00 1.21 C ATOM 1773 C VAL A 113 9.622 -4.960 0.772 1.00 0.95 C ATOM 1774 O VAL A 113 9.339 -5.990 0.162 1.00 0.68 O ATOM 1775 CB VAL A 113 8.866 -2.622 0.114 1.00 1.53 C ATOM 1776 CG1 VAL A 113 8.369 -2.215 1.511 1.00 2.68 C ATOM 1777 CG2 VAL A 113 9.294 -1.325 -0.601 1.00 1.90 C ATOM 0 H VAL A 113 9.484 -4.363 -1.873 1.00 0.94 H new ATOM 0 HA VAL A 113 10.877 -3.224 0.498 1.00 1.21 H new ATOM 0 HB VAL A 113 8.033 -3.141 -0.359 1.00 1.53 H new ATOM 0 HG11 VAL A 113 7.575 -1.475 1.413 1.00 2.68 H new ATOM 0 HG12 VAL A 113 7.985 -3.093 2.030 1.00 2.68 H new ATOM 0 HG13 VAL A 113 9.195 -1.789 2.081 1.00 2.68 H new ATOM 0 HG21 VAL A 113 8.490 -0.592 -0.537 1.00 1.90 H new ATOM 0 HG22 VAL A 113 10.189 -0.925 -0.124 1.00 1.90 H new ATOM 0 HG23 VAL A 113 9.507 -1.540 -1.648 1.00 1.90 H new ATOM 1787 N VAL A 114 9.630 -4.892 2.099 1.00 1.27 N ATOM 1788 CA VAL A 114 9.384 -6.017 3.026 1.00 1.03 C ATOM 1789 C VAL A 114 8.675 -5.510 4.288 1.00 1.00 C ATOM 1790 O VAL A 114 8.973 -4.416 4.762 1.00 1.24 O ATOM 1791 CB VAL A 114 10.686 -6.774 3.411 1.00 1.13 C ATOM 1792 CG1 VAL A 114 10.382 -8.013 4.275 1.00 1.61 C ATOM 1793 CG2 VAL A 114 11.483 -7.250 2.181 1.00 1.96 C ATOM 0 H VAL A 114 9.815 -4.018 2.590 1.00 1.27 H new ATOM 0 HA VAL A 114 8.746 -6.729 2.503 1.00 1.03 H new ATOM 0 HB VAL A 114 11.282 -6.053 3.970 1.00 1.13 H new ATOM 0 HG11 VAL A 114 11.314 -8.519 4.526 1.00 1.61 H new ATOM 0 HG12 VAL A 114 9.879 -7.703 5.191 1.00 1.61 H new ATOM 0 HG13 VAL A 114 9.738 -8.695 3.720 1.00 1.61 H new ATOM 0 HG21 VAL A 114 12.382 -7.772 2.510 1.00 1.96 H new ATOM 0 HG22 VAL A 114 10.867 -7.926 1.588 1.00 1.96 H new ATOM 0 HG23 VAL A 114 11.765 -6.389 1.575 1.00 1.96 H new ATOM 1803 N LEU A 115 7.711 -6.294 4.791 1.00 0.86 N ATOM 1804 CA LEU A 115 6.731 -5.927 5.816 1.00 1.03 C ATOM 1805 C LEU A 115 6.439 -7.119 6.761 1.00 0.90 C ATOM 1806 O LEU A 115 6.183 -8.215 6.252 1.00 0.85 O ATOM 1807 CB LEU A 115 5.403 -5.552 5.112 1.00 1.39 C ATOM 1808 CG LEU A 115 5.473 -4.493 3.993 1.00 1.12 C ATOM 1809 CD1 LEU A 115 4.092 -4.332 3.343 1.00 2.24 C ATOM 1810 CD2 LEU A 115 5.933 -3.137 4.533 1.00 2.43 C ATOM 0 H LEU A 115 7.590 -7.256 4.473 1.00 0.86 H new ATOM 0 HA LEU A 115 7.133 -5.097 6.397 1.00 1.03 H new ATOM 0 HB2 LEU A 115 4.976 -6.462 4.690 1.00 1.39 H new ATOM 0 HB3 LEU A 115 4.707 -5.196 5.871 1.00 1.39 H new ATOM 0 HG LEU A 115 6.199 -4.836 3.256 1.00 1.12 H new ATOM 0 HD11 LEU A 115 4.147 -3.583 2.553 1.00 2.24 H new ATOM 0 HD12 LEU A 115 3.777 -5.285 2.918 1.00 2.24 H new ATOM 0 HD13 LEU A 115 3.371 -4.014 4.096 1.00 2.24 H new ATOM 0 HD21 LEU A 115 5.971 -2.415 3.718 1.00 2.43 H new ATOM 0 HD22 LEU A 115 5.232 -2.791 5.292 1.00 2.43 H new ATOM 0 HD23 LEU A 115 6.924 -3.238 4.974 1.00 2.43 H new ATOM 1822 N PRO A 116 6.377 -6.930 8.094 1.00 0.98 N ATOM 1823 CA PRO A 116 5.770 -7.893 9.009 1.00 1.03 C ATOM 1824 C PRO A 116 4.241 -7.859 8.898 1.00 0.98 C ATOM 1825 O PRO A 116 3.672 -6.852 8.468 1.00 0.97 O ATOM 1826 CB PRO A 116 6.248 -7.476 10.399 1.00 1.19 C ATOM 1827 CG PRO A 116 6.343 -5.956 10.275 1.00 1.23 C ATOM 1828 CD PRO A 116 6.817 -5.757 8.835 1.00 1.11 C ATOM 0 HA PRO A 116 6.059 -8.919 8.782 1.00 1.03 H new ATOM 0 HB2 PRO A 116 5.546 -7.776 11.177 1.00 1.19 H new ATOM 0 HB3 PRO A 116 7.210 -7.924 10.648 1.00 1.19 H new ATOM 0 HG2 PRO A 116 5.381 -5.476 10.453 1.00 1.23 H new ATOM 0 HG3 PRO A 116 7.047 -5.536 10.993 1.00 1.23 H new ATOM 0 HD2 PRO A 116 6.395 -4.847 8.409 1.00 1.11 H new ATOM 0 HD3 PRO A 116 7.901 -5.655 8.793 1.00 1.11 H new ATOM 1836 N VAL A 117 3.565 -8.927 9.322 1.00 1.03 N ATOM 1837 CA VAL A 117 2.108 -8.924 9.515 1.00 0.99 C ATOM 1838 C VAL A 117 1.808 -8.748 11.016 1.00 1.08 C ATOM 1839 O VAL A 117 2.401 -9.439 11.847 1.00 1.09 O ATOM 1840 CB VAL A 117 1.488 -10.216 8.958 1.00 0.99 C ATOM 1841 CG1 VAL A 117 -0.045 -10.128 8.967 1.00 0.98 C ATOM 1842 CG2 VAL A 117 1.936 -10.551 7.524 1.00 0.99 C ATOM 0 H VAL A 117 4.008 -9.819 9.542 1.00 1.03 H new ATOM 0 HA VAL A 117 1.660 -8.095 8.968 1.00 0.99 H new ATOM 0 HB VAL A 117 1.843 -11.010 9.616 1.00 0.99 H new ATOM 0 HG11 VAL A 117 -0.465 -11.052 8.569 1.00 0.98 H new ATOM 0 HG12 VAL A 117 -0.395 -9.981 9.989 1.00 0.98 H new ATOM 0 HG13 VAL A 117 -0.365 -9.289 8.350 1.00 0.98 H new ATOM 0 HG21 VAL A 117 1.457 -11.475 7.200 1.00 0.99 H new ATOM 0 HG22 VAL A 117 1.650 -9.740 6.855 1.00 0.99 H new ATOM 0 HG23 VAL A 117 3.019 -10.676 7.501 1.00 0.99 H new ATOM 1852 N GLU A 118 0.912 -7.823 11.385 1.00 1.22 N ATOM 1853 CA GLU A 118 0.749 -7.323 12.760 1.00 1.20 C ATOM 1854 C GLU A 118 -0.668 -6.816 13.059 1.00 1.33 C ATOM 1855 O GLU A 118 -1.309 -6.164 12.238 1.00 1.77 O ATOM 1856 CB GLU A 118 1.693 -6.138 13.016 1.00 1.40 C ATOM 1857 CG GLU A 118 3.171 -6.507 13.158 1.00 2.16 C ATOM 1858 CD GLU A 118 3.938 -5.286 13.657 1.00 2.79 C ATOM 1859 OE1 GLU A 118 3.750 -4.915 14.834 1.00 3.17 O ATOM 1860 OE2 GLU A 118 4.631 -4.629 12.856 1.00 3.81 O ATOM 0 H GLU A 118 0.266 -7.391 10.724 1.00 1.22 H new ATOM 0 HA GLU A 118 0.971 -8.176 13.401 1.00 1.20 H new ATOM 0 HB2 GLU A 118 1.589 -5.427 12.197 1.00 1.40 H new ATOM 0 HB3 GLU A 118 1.373 -5.627 13.924 1.00 1.40 H new ATOM 0 HG2 GLU A 118 3.287 -7.337 13.855 1.00 2.16 H new ATOM 0 HG3 GLU A 118 3.571 -6.838 12.200 1.00 2.16 H new