USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 ASN :FLIP amide:sc= -1.77 F(o=-2.4,f=-1.8) USER MOD Single : A 9 LYS NZ :NH3+ -150:sc= -0.133 (180deg=-0.626) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -1.84 F(o=-6.3!,f=-1.8) USER MOD Single : A 24 SER OG : rot 56:sc= 0.00586 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -140:sc= 1.28 (180deg=0.893) USER MOD Single : A 33 ASN : amide:sc= -0.0766 X(o=-0.077,f=-0.022) USER MOD Single : A 40 GLN : amide:sc=-0.00256 X(o=-0.0026,f=-0.43) USER MOD Single : A 45 GLN : amide:sc= -0.475 K(o=-0.47,f=-1.5) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -115:sc= 0.0117 USER MOD Single : A 54 MET CE :methyl 168:sc= -0.0161 (180deg=-0.271) USER MOD Single : A 59 HIS : no HE2:sc= -0.203 K(o=-0.2,f=-1.1) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 64 SER OG : rot -96:sc= 1.08 USER MOD Single : A 66 GLN :FLIP amide:sc= -6.57! C(o=-13!,f=-6.6!) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= -0.0242 (180deg=-0.222) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 3 -1.561 12.952 4.131 1.00 1.62 N ATOM 42 CA ASP A 3 -0.833 11.759 4.533 1.00 1.65 C ATOM 43 C ASP A 3 -1.784 10.709 5.099 1.00 1.75 C ATOM 44 O ASP A 3 -2.957 10.990 5.344 1.00 2.10 O ATOM 45 CB ASP A 3 0.226 12.119 5.574 1.00 2.02 C ATOM 46 CG ASP A 3 -0.358 12.857 6.763 1.00 2.83 C ATOM 47 OD1 ASP A 3 -0.907 12.191 7.665 1.00 3.58 O ATOM 48 OD2 ASP A 3 -0.267 14.102 6.792 1.00 2.96 O ATOM 0 HA ASP A 3 -0.344 11.342 3.653 1.00 1.65 H new ATOM 0 HB2 ASP A 3 0.715 11.209 5.920 1.00 2.02 H new ATOM 0 HB3 ASP A 3 0.994 12.737 5.108 1.00 2.02 H new ATOM 53 N TRP A 4 -1.269 9.500 5.309 1.00 1.79 N ATOM 54 CA TRP A 4 -2.073 8.413 5.854 1.00 2.23 C ATOM 55 C TRP A 4 -1.184 7.270 6.332 1.00 2.33 C ATOM 56 O TRP A 4 -1.530 6.555 7.272 1.00 2.91 O ATOM 57 CB TRP A 4 -3.078 7.908 4.815 1.00 2.72 C ATOM 58 CG TRP A 4 -2.453 7.555 3.497 1.00 2.37 C ATOM 59 CD1 TRP A 4 -1.756 6.421 3.199 1.00 2.53 C ATOM 60 CD2 TRP A 4 -2.477 8.340 2.300 1.00 2.23 C ATOM 61 NE1 TRP A 4 -1.338 6.454 1.890 1.00 2.21 N ATOM 62 CE2 TRP A 4 -1.770 7.622 1.317 1.00 2.15 C ATOM 63 CE3 TRP A 4 -3.026 9.581 1.963 1.00 2.65 C ATOM 64 CZ2 TRP A 4 -1.598 8.105 0.021 1.00 2.51 C ATOM 65 CZ3 TRP A 4 -2.855 10.058 0.676 1.00 3.19 C ATOM 66 CH2 TRP A 4 -2.147 9.321 -0.281 1.00 3.13 C ATOM 0 H TRP A 4 -0.300 9.250 5.110 1.00 1.79 H new ATOM 0 HA TRP A 4 -2.627 8.799 6.710 1.00 2.23 H new ATOM 0 HB2 TRP A 4 -3.589 7.031 5.212 1.00 2.72 H new ATOM 0 HB3 TRP A 4 -3.837 8.673 4.654 1.00 2.72 H new ATOM 0 HD1 TRP A 4 -1.561 5.615 3.891 1.00 2.53 H new ATOM 0 HE1 TRP A 4 -0.795 5.728 1.422 1.00 2.21 H new ATOM 0 HE3 TRP A 4 -3.574 10.157 2.694 1.00 2.65 H new ATOM 0 HZ2 TRP A 4 -1.051 7.539 -0.719 1.00 2.51 H new ATOM 0 HZ3 TRP A 4 -3.275 11.015 0.405 1.00 3.19 H new ATOM 0 HH2 TRP A 4 -2.032 9.721 -1.278 1.00 3.13 H new ATOM 77 N ASN A 5 -0.039 7.103 5.679 1.00 1.89 N ATOM 78 CA ASN A 5 0.900 6.053 6.048 1.00 1.98 C ATOM 79 C ASN A 5 1.864 6.559 7.102 1.00 2.12 C ATOM 80 O ASN A 5 2.052 5.942 8.151 1.00 2.58 O ATOM 81 CB ASN A 5 1.663 5.553 4.820 1.00 1.85 C ATOM 82 CG ASN A 5 2.227 6.687 3.987 1.00 2.43 C ATOM 83 OD1 ASN A 5 3.453 7.092 4.290 1.00 3.20 O flip ATOM 84 ND2 ASN A 5 1.567 7.193 3.079 1.00 2.75 N flip ATOM 0 H ASN A 5 0.260 7.681 4.893 1.00 1.89 H new ATOM 0 HA ASN A 5 0.337 5.217 6.462 1.00 1.98 H new ATOM 0 HB2 ASN A 5 2.477 4.903 5.141 1.00 1.85 H new ATOM 0 HB3 ASN A 5 0.997 4.949 4.203 1.00 1.85 H new ATOM 0 HD21 ASN A 5 0.627 6.850 2.880 1.00 2.75 H new ATOM 0 HD22 ASN A 5 1.960 7.955 2.526 1.00 2.75 H new ATOM 91 N ILE A 6 2.466 7.692 6.795 1.00 1.91 N ATOM 92 CA ILE A 6 3.410 8.349 7.667 1.00 2.11 C ATOM 93 C ILE A 6 4.584 7.435 7.989 1.00 2.18 C ATOM 94 O ILE A 6 5.519 7.808 8.701 1.00 2.38 O ATOM 95 CB ILE A 6 2.660 8.780 8.924 1.00 2.40 C ATOM 96 CG1 ILE A 6 1.709 9.934 8.579 1.00 2.27 C ATOM 97 CG2 ILE A 6 3.602 9.150 10.066 1.00 2.80 C ATOM 98 CD1 ILE A 6 1.008 10.541 9.779 1.00 3.11 C ATOM 0 H ILE A 6 2.308 8.187 5.917 1.00 1.91 H new ATOM 0 HA ILE A 6 3.835 9.226 7.178 1.00 2.11 H new ATOM 0 HB ILE A 6 2.077 7.931 9.282 1.00 2.40 H new ATOM 0 HG12 ILE A 6 2.273 10.715 8.068 1.00 2.27 H new ATOM 0 HG13 ILE A 6 0.957 9.573 7.877 1.00 2.27 H new ATOM 0 HG21 ILE A 6 3.018 9.449 10.937 1.00 2.80 H new ATOM 0 HG22 ILE A 6 4.220 8.289 10.322 1.00 2.80 H new ATOM 0 HG23 ILE A 6 4.242 9.976 9.757 1.00 2.80 H new ATOM 0 HD11 ILE A 6 0.355 11.349 9.449 1.00 3.11 H new ATOM 0 HD12 ILE A 6 0.414 9.776 10.279 1.00 3.11 H new ATOM 0 HD13 ILE A 6 1.750 10.935 10.473 1.00 3.11 H new ATOM 110 N ALA A 7 4.548 6.252 7.411 1.00 2.12 N ATOM 111 CA ALA A 7 5.593 5.276 7.626 1.00 2.32 C ATOM 112 C ALA A 7 6.473 5.113 6.392 1.00 2.11 C ATOM 113 O ALA A 7 6.293 4.184 5.604 1.00 2.41 O ATOM 114 CB ALA A 7 5.001 3.939 8.043 1.00 2.56 C ATOM 0 H ALA A 7 3.803 5.944 6.787 1.00 2.12 H new ATOM 0 HA ALA A 7 6.225 5.644 8.434 1.00 2.32 H new ATOM 0 HB1 ALA A 7 5.804 3.219 8.200 1.00 2.56 H new ATOM 0 HB2 ALA A 7 4.439 4.063 8.969 1.00 2.56 H new ATOM 0 HB3 ALA A 7 4.335 3.576 7.260 1.00 2.56 H new ATOM 120 N ALA A 8 7.419 6.033 6.225 1.00 1.79 N ATOM 121 CA ALA A 8 8.337 5.994 5.094 1.00 1.61 C ATOM 122 C ALA A 8 9.658 6.674 5.439 1.00 1.75 C ATOM 123 O ALA A 8 9.830 7.872 5.211 1.00 1.98 O ATOM 124 CB ALA A 8 7.704 6.649 3.875 1.00 1.44 C ATOM 0 H ALA A 8 7.569 6.816 6.861 1.00 1.79 H new ATOM 0 HA ALA A 8 8.545 4.950 4.861 1.00 1.61 H new ATOM 0 HB1 ALA A 8 8.402 6.612 3.039 1.00 1.44 H new ATOM 0 HB2 ALA A 8 6.791 6.117 3.609 1.00 1.44 H new ATOM 0 HB3 ALA A 8 7.466 7.688 4.103 1.00 1.44 H new ATOM 130 N LYS A 9 10.585 5.903 6.000 1.00 1.76 N ATOM 131 CA LYS A 9 11.892 6.429 6.379 1.00 1.95 C ATOM 132 C LYS A 9 12.968 5.918 5.428 1.00 1.64 C ATOM 133 O LYS A 9 13.443 6.651 4.560 1.00 1.76 O ATOM 134 CB LYS A 9 12.228 6.023 7.815 1.00 2.29 C ATOM 135 CG LYS A 9 13.055 7.053 8.568 1.00 2.78 C ATOM 136 CD LYS A 9 12.254 8.314 8.840 1.00 3.05 C ATOM 137 CE LYS A 9 12.648 9.443 7.900 1.00 3.46 C ATOM 138 NZ LYS A 9 14.073 9.837 8.072 1.00 4.19 N ATOM 0 H LYS A 9 10.455 4.912 6.202 1.00 1.76 H new ATOM 0 HA LYS A 9 11.858 7.517 6.317 1.00 1.95 H new ATOM 0 HB2 LYS A 9 11.300 5.848 8.359 1.00 2.29 H new ATOM 0 HB3 LYS A 9 12.771 5.078 7.798 1.00 2.29 H new ATOM 0 HG2 LYS A 9 13.398 6.628 9.511 1.00 2.78 H new ATOM 0 HG3 LYS A 9 13.944 7.302 7.989 1.00 2.78 H new ATOM 0 HD2 LYS A 9 11.191 8.101 8.728 1.00 3.05 H new ATOM 0 HD3 LYS A 9 12.409 8.628 9.872 1.00 3.05 H new ATOM 0 HE2 LYS A 9 12.479 9.132 6.869 1.00 3.46 H new ATOM 0 HE3 LYS A 9 12.008 10.307 8.082 1.00 3.46 H new ATOM 0 HZ1 LYS A 9 14.184 10.846 7.846 1.00 4.19 H new ATOM 0 HZ2 LYS A 9 14.363 9.668 9.056 1.00 4.19 H new ATOM 0 HZ3 LYS A 9 14.669 9.272 7.434 1.00 4.19 H new ATOM 152 N SER A 10 13.345 4.656 5.598 1.00 1.35 N ATOM 153 CA SER A 10 14.356 4.040 4.747 1.00 1.09 C ATOM 154 C SER A 10 13.824 3.874 3.330 1.00 1.11 C ATOM 155 O SER A 10 12.732 3.345 3.129 1.00 1.47 O ATOM 156 CB SER A 10 14.778 2.684 5.314 1.00 0.96 C ATOM 157 OG SER A 10 15.693 2.031 4.449 1.00 1.54 O ATOM 0 H SER A 10 12.966 4.040 6.317 1.00 1.35 H new ATOM 0 HA SER A 10 15.229 4.692 4.720 1.00 1.09 H new ATOM 0 HB2 SER A 10 15.235 2.822 6.294 1.00 0.96 H new ATOM 0 HB3 SER A 10 13.898 2.057 5.458 1.00 0.96 H new ATOM 0 HG SER A 10 15.948 1.167 4.835 1.00 1.54 H new ATOM 163 N GLN A 11 14.603 4.335 2.357 1.00 1.09 N ATOM 164 CA GLN A 11 14.221 4.261 0.947 1.00 1.17 C ATOM 165 C GLN A 11 13.622 2.905 0.581 1.00 0.87 C ATOM 166 O GLN A 11 12.507 2.834 0.067 1.00 0.82 O ATOM 167 CB GLN A 11 15.432 4.554 0.062 1.00 1.50 C ATOM 168 CG GLN A 11 15.244 4.137 -1.389 1.00 1.71 C ATOM 169 CD GLN A 11 16.223 4.820 -2.322 1.00 2.37 C ATOM 170 OE1 GLN A 11 15.946 5.896 -2.852 1.00 3.07 O ATOM 171 NE2 GLN A 11 17.378 4.199 -2.526 1.00 2.75 N ATOM 0 H GLN A 11 15.512 4.768 2.520 1.00 1.09 H new ATOM 0 HA GLN A 11 13.451 5.013 0.778 1.00 1.17 H new ATOM 0 HB2 GLN A 11 15.648 5.622 0.099 1.00 1.50 H new ATOM 0 HB3 GLN A 11 16.302 4.039 0.469 1.00 1.50 H new ATOM 0 HG2 GLN A 11 15.363 3.057 -1.471 1.00 1.71 H new ATOM 0 HG3 GLN A 11 14.226 4.371 -1.702 1.00 1.71 H new ATOM 0 HE21 GLN A 11 17.566 3.308 -2.066 1.00 2.75 H new ATOM 0 HE22 GLN A 11 18.077 4.613 -3.143 1.00 2.75 H new ATOM 180 N GLU A 12 14.370 1.834 0.833 1.00 0.84 N ATOM 181 CA GLU A 12 13.905 0.483 0.521 1.00 0.83 C ATOM 182 C GLU A 12 12.492 0.255 1.046 1.00 0.63 C ATOM 183 O GLU A 12 11.716 -0.500 0.461 1.00 0.77 O ATOM 184 CB GLU A 12 14.849 -0.565 1.116 1.00 1.10 C ATOM 185 CG GLU A 12 16.251 -0.543 0.525 1.00 1.70 C ATOM 186 CD GLU A 12 17.054 0.668 0.959 1.00 2.48 C ATOM 187 OE1 GLU A 12 17.625 0.633 2.069 1.00 2.69 O ATOM 188 OE2 GLU A 12 17.111 1.650 0.190 1.00 3.39 O ATOM 0 H GLU A 12 15.299 1.874 1.252 1.00 0.84 H new ATOM 0 HA GLU A 12 13.896 0.380 -0.564 1.00 0.83 H new ATOM 0 HB2 GLU A 12 14.917 -0.408 2.192 1.00 1.10 H new ATOM 0 HB3 GLU A 12 14.418 -1.555 0.965 1.00 1.10 H new ATOM 0 HG2 GLU A 12 16.780 -1.449 0.822 1.00 1.70 H new ATOM 0 HG3 GLU A 12 16.182 -0.556 -0.563 1.00 1.70 H new ATOM 195 N GLU A 13 12.168 0.913 2.152 1.00 0.53 N ATOM 196 CA GLU A 13 10.850 0.786 2.760 1.00 0.58 C ATOM 197 C GLU A 13 9.843 1.712 2.086 1.00 0.52 C ATOM 198 O GLU A 13 8.663 1.388 1.988 1.00 0.57 O ATOM 199 CB GLU A 13 10.931 1.101 4.254 1.00 0.82 C ATOM 200 CG GLU A 13 12.050 0.362 4.966 1.00 0.84 C ATOM 201 CD GLU A 13 11.895 -1.145 4.887 1.00 1.53 C ATOM 202 OE1 GLU A 13 11.187 -1.715 5.744 1.00 1.54 O ATOM 203 OE2 GLU A 13 12.481 -1.755 3.968 1.00 2.54 O ATOM 0 H GLU A 13 12.801 1.541 2.647 1.00 0.53 H new ATOM 0 HA GLU A 13 10.511 -0.241 2.626 1.00 0.58 H new ATOM 0 HB2 GLU A 13 11.073 2.174 4.384 1.00 0.82 H new ATOM 0 HB3 GLU A 13 9.981 0.846 4.724 1.00 0.82 H new ATOM 0 HG2 GLU A 13 13.006 0.649 4.528 1.00 0.84 H new ATOM 0 HG3 GLU A 13 12.074 0.667 6.012 1.00 0.84 H new ATOM 210 N ARG A 14 10.313 2.861 1.612 1.00 0.48 N ATOM 211 CA ARG A 14 9.439 3.828 0.959 1.00 0.50 C ATOM 212 C ARG A 14 8.894 3.275 -0.355 1.00 0.40 C ATOM 213 O ARG A 14 7.710 3.405 -0.653 1.00 0.52 O ATOM 214 CB ARG A 14 10.191 5.134 0.681 1.00 0.58 C ATOM 215 CG ARG A 14 11.068 5.596 1.831 1.00 1.42 C ATOM 216 CD ARG A 14 11.766 6.904 1.502 1.00 1.47 C ATOM 217 NE ARG A 14 10.821 8.005 1.343 1.00 2.39 N ATOM 218 CZ ARG A 14 11.095 9.118 0.669 1.00 2.61 C ATOM 219 NH1 ARG A 14 12.275 9.266 0.079 1.00 1.96 N ATOM 220 NH2 ARG A 14 10.187 10.081 0.581 1.00 3.70 N ATOM 0 H ARG A 14 11.291 3.145 1.668 1.00 0.48 H new ATOM 0 HA ARG A 14 8.606 4.025 1.634 1.00 0.50 H new ATOM 0 HB2 ARG A 14 10.811 5.003 -0.206 1.00 0.58 H new ATOM 0 HB3 ARG A 14 9.468 5.916 0.452 1.00 0.58 H new ATOM 0 HG2 ARG A 14 10.460 5.721 2.727 1.00 1.42 H new ATOM 0 HG3 ARG A 14 11.811 4.831 2.054 1.00 1.42 H new ATOM 0 HD2 ARG A 14 12.474 7.146 2.295 1.00 1.47 H new ATOM 0 HD3 ARG A 14 12.343 6.786 0.584 1.00 1.47 H new ATOM 0 HE ARG A 14 9.900 7.916 1.772 1.00 2.39 H new ATOM 0 HH11 ARG A 14 12.973 8.525 0.142 1.00 1.96 H new ATOM 0 HH12 ARG A 14 12.483 10.120 -0.438 1.00 1.96 H new ATOM 0 HH21 ARG A 14 9.278 9.968 1.030 1.00 3.70 H new ATOM 0 HH22 ARG A 14 10.397 10.935 0.064 1.00 3.70 H new ATOM 234 N ASP A 15 9.765 2.652 -1.131 1.00 0.30 N ATOM 235 CA ASP A 15 9.382 2.100 -2.426 1.00 0.37 C ATOM 236 C ASP A 15 8.312 1.014 -2.314 1.00 0.35 C ATOM 237 O ASP A 15 7.291 1.070 -2.998 1.00 0.47 O ATOM 238 CB ASP A 15 10.610 1.536 -3.139 1.00 0.47 C ATOM 239 CG ASP A 15 11.677 2.587 -3.375 1.00 0.64 C ATOM 240 OD1 ASP A 15 11.529 3.383 -4.324 1.00 0.93 O ATOM 241 OD2 ASP A 15 12.663 2.613 -2.607 1.00 0.71 O ATOM 0 H ASP A 15 10.746 2.514 -0.888 1.00 0.30 H new ATOM 0 HA ASP A 15 8.954 2.919 -3.004 1.00 0.37 H new ATOM 0 HB2 ASP A 15 11.030 0.724 -2.546 1.00 0.47 H new ATOM 0 HB3 ASP A 15 10.307 1.109 -4.095 1.00 0.47 H new ATOM 246 N LYS A 16 8.542 0.030 -1.450 1.00 0.30 N ATOM 247 CA LYS A 16 7.603 -1.083 -1.295 1.00 0.32 C ATOM 248 C LYS A 16 6.305 -0.675 -0.596 1.00 0.29 C ATOM 249 O LYS A 16 5.236 -1.187 -0.927 1.00 0.43 O ATOM 250 CB LYS A 16 8.257 -2.232 -0.527 1.00 0.35 C ATOM 251 CG LYS A 16 9.566 -2.702 -1.138 1.00 0.42 C ATOM 252 CD LYS A 16 9.860 -4.152 -0.786 1.00 0.45 C ATOM 253 CE LYS A 16 8.985 -5.109 -1.583 1.00 0.62 C ATOM 254 NZ LYS A 16 9.320 -6.533 -1.307 1.00 1.38 N ATOM 0 H LYS A 16 9.364 -0.022 -0.849 1.00 0.30 H new ATOM 0 HA LYS A 16 7.343 -1.408 -2.302 1.00 0.32 H new ATOM 0 HB2 LYS A 16 8.438 -1.915 0.500 1.00 0.35 H new ATOM 0 HB3 LYS A 16 7.563 -3.071 -0.484 1.00 0.35 H new ATOM 0 HG2 LYS A 16 9.523 -2.592 -2.222 1.00 0.42 H new ATOM 0 HG3 LYS A 16 10.381 -2.069 -0.786 1.00 0.42 H new ATOM 0 HD2 LYS A 16 10.910 -4.369 -0.982 1.00 0.45 H new ATOM 0 HD3 LYS A 16 9.695 -4.309 0.280 1.00 0.45 H new ATOM 0 HE2 LYS A 16 7.938 -4.930 -1.341 1.00 0.62 H new ATOM 0 HE3 LYS A 16 9.105 -4.908 -2.648 1.00 0.62 H new ATOM 0 HZ1 LYS A 16 8.701 -7.151 -1.870 1.00 1.38 H new ATOM 0 HZ2 LYS A 16 10.312 -6.712 -1.562 1.00 1.38 H new ATOM 0 HZ3 LYS A 16 9.181 -6.733 -0.296 1.00 1.38 H new ATOM 268 N VAL A 17 6.390 0.239 0.361 1.00 0.24 N ATOM 269 CA VAL A 17 5.200 0.663 1.093 1.00 0.23 C ATOM 270 C VAL A 17 4.332 1.622 0.280 1.00 0.27 C ATOM 271 O VAL A 17 3.117 1.451 0.221 1.00 0.36 O ATOM 272 CB VAL A 17 5.549 1.315 2.442 1.00 0.22 C ATOM 273 CG1 VAL A 17 4.278 1.736 3.158 1.00 1.27 C ATOM 274 CG2 VAL A 17 6.352 0.354 3.306 1.00 1.23 C ATOM 0 H VAL A 17 7.256 0.696 0.647 1.00 0.24 H new ATOM 0 HA VAL A 17 4.633 -0.249 1.281 1.00 0.23 H new ATOM 0 HB VAL A 17 6.158 2.200 2.257 1.00 0.22 H new ATOM 0 HG11 VAL A 17 4.534 2.197 4.112 1.00 1.27 H new ATOM 0 HG12 VAL A 17 3.734 2.453 2.543 1.00 1.27 H new ATOM 0 HG13 VAL A 17 3.652 0.861 3.334 1.00 1.27 H new ATOM 0 HG21 VAL A 17 6.590 0.832 4.256 1.00 1.23 H new ATOM 0 HG22 VAL A 17 5.766 -0.547 3.489 1.00 1.23 H new ATOM 0 HG23 VAL A 17 7.276 0.088 2.792 1.00 1.23 H new ATOM 284 N ASN A 18 4.945 2.633 -0.331 1.00 0.27 N ATOM 285 CA ASN A 18 4.191 3.593 -1.137 1.00 0.32 C ATOM 286 C ASN A 18 3.402 2.859 -2.210 1.00 0.27 C ATOM 287 O ASN A 18 2.369 3.337 -2.680 1.00 0.25 O ATOM 288 CB ASN A 18 5.118 4.611 -1.795 1.00 0.39 C ATOM 289 CG ASN A 18 5.848 5.499 -0.798 1.00 0.44 C ATOM 290 OD1 ASN A 18 6.081 4.991 0.408 1.00 0.77 O flip ATOM 291 ND2 ASN A 18 6.199 6.638 -1.113 1.00 0.22 N flip ATOM 0 H ASN A 18 5.949 2.809 -0.286 1.00 0.27 H new ATOM 0 HA ASN A 18 3.508 4.126 -0.475 1.00 0.32 H new ATOM 0 HB2 ASN A 18 5.851 4.083 -2.404 1.00 0.39 H new ATOM 0 HB3 ASN A 18 4.536 5.238 -2.470 1.00 0.39 H new ATOM 0 HD21 ASN A 18 6.002 6.992 -2.049 1.00 0.22 H new ATOM 0 HD22 ASN A 18 6.687 7.226 -0.438 1.00 0.22 H new ATOM 298 N VAL A 19 3.906 1.692 -2.593 1.00 0.33 N ATOM 299 CA VAL A 19 3.253 0.868 -3.598 1.00 0.32 C ATOM 300 C VAL A 19 2.183 0.013 -2.928 1.00 0.33 C ATOM 301 O VAL A 19 1.153 -0.304 -3.522 1.00 0.32 O ATOM 302 CB VAL A 19 4.280 -0.024 -4.339 1.00 0.34 C ATOM 303 CG1 VAL A 19 4.067 -1.502 -4.038 1.00 0.40 C ATOM 304 CG2 VAL A 19 4.223 0.232 -5.836 1.00 0.32 C ATOM 0 H VAL A 19 4.768 1.295 -2.220 1.00 0.33 H new ATOM 0 HA VAL A 19 2.786 1.516 -4.340 1.00 0.32 H new ATOM 0 HB VAL A 19 5.272 0.243 -3.974 1.00 0.34 H new ATOM 0 HG11 VAL A 19 4.807 -2.093 -4.577 1.00 0.40 H new ATOM 0 HG12 VAL A 19 4.174 -1.674 -2.967 1.00 0.40 H new ATOM 0 HG13 VAL A 19 3.067 -1.797 -4.354 1.00 0.40 H new ATOM 0 HG21 VAL A 19 4.951 -0.403 -6.342 1.00 0.32 H new ATOM 0 HG22 VAL A 19 3.223 0.004 -6.206 1.00 0.32 H new ATOM 0 HG23 VAL A 19 4.454 1.278 -6.035 1.00 0.32 H new ATOM 314 N ASP A 20 2.453 -0.349 -1.677 1.00 0.37 N ATOM 315 CA ASP A 20 1.530 -1.146 -0.885 1.00 0.40 C ATOM 316 C ASP A 20 0.258 -0.354 -0.633 1.00 0.40 C ATOM 317 O ASP A 20 -0.849 -0.891 -0.699 1.00 0.41 O ATOM 318 CB ASP A 20 2.178 -1.546 0.442 1.00 0.46 C ATOM 319 CG ASP A 20 1.235 -2.317 1.344 1.00 0.62 C ATOM 320 OD1 ASP A 20 0.408 -1.676 2.024 1.00 0.82 O ATOM 321 OD2 ASP A 20 1.321 -3.563 1.367 1.00 0.84 O ATOM 0 H ASP A 20 3.313 -0.099 -1.189 1.00 0.37 H new ATOM 0 HA ASP A 20 1.281 -2.054 -1.434 1.00 0.40 H new ATOM 0 HB2 ASP A 20 3.061 -2.153 0.242 1.00 0.46 H new ATOM 0 HB3 ASP A 20 2.518 -0.650 0.960 1.00 0.46 H new ATOM 326 N LEU A 21 0.426 0.934 -0.346 1.00 0.40 N ATOM 327 CA LEU A 21 -0.709 1.804 -0.102 1.00 0.43 C ATOM 328 C LEU A 21 -1.354 2.186 -1.424 1.00 0.30 C ATOM 329 O LEU A 21 -2.564 2.386 -1.499 1.00 0.31 O ATOM 330 CB LEU A 21 -0.293 3.053 0.685 1.00 0.57 C ATOM 331 CG LEU A 21 0.826 3.892 0.062 1.00 0.67 C ATOM 332 CD1 LEU A 21 0.266 4.884 -0.949 1.00 0.73 C ATOM 333 CD2 LEU A 21 1.605 4.616 1.148 1.00 1.07 C ATOM 0 H LEU A 21 1.335 1.392 -0.278 1.00 0.40 H new ATOM 0 HA LEU A 21 -1.437 1.265 0.505 1.00 0.43 H new ATOM 0 HB2 LEU A 21 -1.170 3.688 0.812 1.00 0.57 H new ATOM 0 HB3 LEU A 21 0.023 2.743 1.681 1.00 0.57 H new ATOM 0 HG LEU A 21 1.504 3.222 -0.467 1.00 0.67 H new ATOM 0 HD11 LEU A 21 1.082 5.467 -1.377 1.00 0.73 H new ATOM 0 HD12 LEU A 21 -0.248 4.343 -1.743 1.00 0.73 H new ATOM 0 HD13 LEU A 21 -0.437 5.553 -0.452 1.00 0.73 H new ATOM 0 HD21 LEU A 21 2.398 5.209 0.693 1.00 1.07 H new ATOM 0 HD22 LEU A 21 0.933 5.272 1.702 1.00 1.07 H new ATOM 0 HD23 LEU A 21 2.043 3.887 1.829 1.00 1.07 H new ATOM 345 N ALA A 22 -0.528 2.296 -2.465 1.00 0.24 N ATOM 346 CA ALA A 22 -1.022 2.625 -3.794 1.00 0.23 C ATOM 347 C ALA A 22 -2.183 1.709 -4.170 1.00 0.26 C ATOM 348 O ALA A 22 -3.229 2.170 -4.625 1.00 0.39 O ATOM 349 CB ALA A 22 0.101 2.509 -4.813 1.00 0.26 C ATOM 0 H ALA A 22 0.482 2.162 -2.410 1.00 0.24 H new ATOM 0 HA ALA A 22 -1.383 3.653 -3.790 1.00 0.23 H new ATOM 0 HB1 ALA A 22 -0.280 2.757 -5.804 1.00 0.26 H new ATOM 0 HB2 ALA A 22 0.904 3.198 -4.550 1.00 0.26 H new ATOM 0 HB3 ALA A 22 0.485 1.489 -4.817 1.00 0.26 H new ATOM 355 N ALA A 23 -1.989 0.409 -3.973 1.00 0.26 N ATOM 356 CA ALA A 23 -3.020 -0.575 -4.279 1.00 0.38 C ATOM 357 C ALA A 23 -4.184 -0.455 -3.311 1.00 0.36 C ATOM 358 O ALA A 23 -5.343 -0.644 -3.685 1.00 0.58 O ATOM 359 CB ALA A 23 -2.446 -1.980 -4.219 1.00 0.49 C ATOM 0 H ALA A 23 -1.126 0.012 -3.602 1.00 0.26 H new ATOM 0 HA ALA A 23 -3.383 -0.380 -5.288 1.00 0.38 H new ATOM 0 HB1 ALA A 23 -3.228 -2.703 -4.450 1.00 0.49 H new ATOM 0 HB2 ALA A 23 -1.639 -2.075 -4.945 1.00 0.49 H new ATOM 0 HB3 ALA A 23 -2.058 -2.172 -3.219 1.00 0.49 H new ATOM 365 N SER A 24 -3.866 -0.139 -2.061 1.00 0.30 N ATOM 366 CA SER A 24 -4.885 -0.002 -1.028 1.00 0.33 C ATOM 367 C SER A 24 -5.903 1.074 -1.390 1.00 0.27 C ATOM 368 O SER A 24 -7.078 0.784 -1.593 1.00 0.33 O ATOM 369 CB SER A 24 -4.240 0.330 0.320 1.00 0.43 C ATOM 370 OG SER A 24 -5.222 0.503 1.326 1.00 1.36 O ATOM 0 H SER A 24 -2.912 0.027 -1.739 1.00 0.30 H new ATOM 0 HA SER A 24 -5.407 -0.956 -0.952 1.00 0.33 H new ATOM 0 HB2 SER A 24 -3.558 -0.470 0.607 1.00 0.43 H new ATOM 0 HB3 SER A 24 -3.645 1.239 0.228 1.00 0.43 H new ATOM 0 HG SER A 24 -5.781 -0.300 1.379 1.00 1.36 H new ATOM 376 N GLY A 25 -5.442 2.309 -1.513 1.00 0.27 N ATOM 377 CA GLY A 25 -6.340 3.401 -1.825 1.00 0.34 C ATOM 378 C GLY A 25 -7.204 3.130 -3.040 1.00 0.33 C ATOM 379 O GLY A 25 -8.403 3.404 -3.028 1.00 0.43 O ATOM 0 H GLY A 25 -4.463 2.575 -1.403 1.00 0.27 H new ATOM 0 HA2 GLY A 25 -6.982 3.593 -0.965 1.00 0.34 H new ATOM 0 HA3 GLY A 25 -5.757 4.306 -1.996 1.00 0.34 H new ATOM 383 N VAL A 26 -6.599 2.578 -4.081 1.00 0.29 N ATOM 384 CA VAL A 26 -7.312 2.287 -5.317 1.00 0.37 C ATOM 385 C VAL A 26 -8.548 1.410 -5.091 1.00 0.44 C ATOM 386 O VAL A 26 -9.669 1.829 -5.378 1.00 0.53 O ATOM 387 CB VAL A 26 -6.378 1.601 -6.336 1.00 0.44 C ATOM 388 CG1 VAL A 26 -7.166 1.035 -7.511 1.00 1.26 C ATOM 389 CG2 VAL A 26 -5.322 2.580 -6.827 1.00 1.09 C ATOM 0 H VAL A 26 -5.612 2.321 -4.095 1.00 0.29 H new ATOM 0 HA VAL A 26 -7.650 3.245 -5.711 1.00 0.37 H new ATOM 0 HB VAL A 26 -5.882 0.771 -5.834 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -6.481 0.558 -8.212 1.00 1.26 H new ATOM 0 HG12 VAL A 26 -7.884 0.300 -7.147 1.00 1.26 H new ATOM 0 HG13 VAL A 26 -7.698 1.842 -8.015 1.00 1.26 H new ATOM 0 HG21 VAL A 26 -4.670 2.082 -7.545 1.00 1.09 H new ATOM 0 HG22 VAL A 26 -5.808 3.430 -7.306 1.00 1.09 H new ATOM 0 HG23 VAL A 26 -4.730 2.930 -5.982 1.00 1.09 H new ATOM 399 N ALA A 27 -8.342 0.200 -4.578 1.00 0.44 N ATOM 400 CA ALA A 27 -9.448 -0.731 -4.349 1.00 0.54 C ATOM 401 C ALA A 27 -10.090 -0.578 -2.969 1.00 0.51 C ATOM 402 O ALA A 27 -11.295 -0.359 -2.858 1.00 0.59 O ATOM 403 CB ALA A 27 -8.969 -2.160 -4.542 1.00 0.61 C ATOM 0 H ALA A 27 -7.425 -0.159 -4.313 1.00 0.44 H new ATOM 0 HA ALA A 27 -10.219 -0.489 -5.081 1.00 0.54 H new ATOM 0 HB1 ALA A 27 -9.797 -2.848 -4.370 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -8.599 -2.285 -5.559 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -8.167 -2.374 -3.835 1.00 0.61 H new ATOM 409 N TYR A 28 -9.275 -0.692 -1.924 1.00 0.42 N ATOM 410 CA TYR A 28 -9.754 -0.609 -0.542 1.00 0.43 C ATOM 411 C TYR A 28 -10.722 0.557 -0.320 1.00 0.49 C ATOM 412 O TYR A 28 -11.683 0.430 0.434 1.00 0.72 O ATOM 413 CB TYR A 28 -8.563 -0.487 0.419 1.00 0.37 C ATOM 414 CG TYR A 28 -8.440 -1.602 1.444 1.00 0.44 C ATOM 415 CD1 TYR A 28 -8.896 -2.881 1.152 1.00 0.49 C ATOM 416 CD2 TYR A 28 -7.879 -1.381 2.697 1.00 0.54 C ATOM 417 CE1 TYR A 28 -8.794 -3.906 2.073 1.00 0.59 C ATOM 418 CE2 TYR A 28 -7.772 -2.402 3.622 1.00 0.64 C ATOM 419 CZ TYR A 28 -8.201 -3.625 3.341 1.00 0.63 C ATOM 420 OH TYR A 28 -8.124 -4.680 4.226 1.00 0.77 O ATOM 0 H TYR A 28 -8.270 -0.844 -2.007 1.00 0.42 H new ATOM 0 HA TYR A 28 -10.305 -1.527 -0.340 1.00 0.43 H new ATOM 0 HB2 TYR A 28 -7.645 -0.453 -0.168 1.00 0.37 H new ATOM 0 HB3 TYR A 28 -8.639 0.463 0.947 1.00 0.37 H new ATOM 0 HD1 TYR A 28 -9.339 -3.078 0.187 1.00 0.49 H new ATOM 0 HD2 TYR A 28 -7.521 -0.394 2.952 1.00 0.54 H new ATOM 0 HE1 TYR A 28 -9.155 -4.897 1.839 1.00 0.59 H new ATOM 0 HE2 TYR A 28 -7.333 -2.201 4.588 1.00 0.64 H new ATOM 0 HH TYR A 28 -7.702 -4.379 5.058 1.00 0.77 H new ATOM 430 N LYS A 29 -10.489 1.685 -0.978 1.00 0.37 N ATOM 431 CA LYS A 29 -11.356 2.849 -0.795 1.00 0.40 C ATOM 432 C LYS A 29 -12.760 2.623 -1.335 1.00 0.48 C ATOM 433 O LYS A 29 -13.739 2.690 -0.595 1.00 0.55 O ATOM 434 CB LYS A 29 -10.739 4.085 -1.459 1.00 0.40 C ATOM 435 CG LYS A 29 -11.663 5.300 -1.506 1.00 0.50 C ATOM 436 CD LYS A 29 -12.377 5.420 -2.845 1.00 1.23 C ATOM 437 CE LYS A 29 -11.457 5.959 -3.927 1.00 1.67 C ATOM 438 NZ LYS A 29 -11.347 7.442 -3.874 1.00 2.30 N ATOM 0 H LYS A 29 -9.720 1.822 -1.634 1.00 0.37 H new ATOM 0 HA LYS A 29 -11.441 3.011 0.280 1.00 0.40 H new ATOM 0 HB2 LYS A 29 -9.829 4.355 -0.923 1.00 0.40 H new ATOM 0 HB3 LYS A 29 -10.444 3.828 -2.476 1.00 0.40 H new ATOM 0 HG2 LYS A 29 -12.401 5.226 -0.707 1.00 0.50 H new ATOM 0 HG3 LYS A 29 -11.083 6.204 -1.322 1.00 0.50 H new ATOM 0 HD2 LYS A 29 -12.756 4.443 -3.144 1.00 1.23 H new ATOM 0 HD3 LYS A 29 -13.239 6.078 -2.740 1.00 1.23 H new ATOM 0 HE2 LYS A 29 -10.467 5.517 -3.815 1.00 1.67 H new ATOM 0 HE3 LYS A 29 -11.831 5.657 -4.905 1.00 1.67 H new ATOM 0 HZ1 LYS A 29 -11.344 7.825 -4.841 1.00 2.30 H new ATOM 0 HZ2 LYS A 29 -12.156 7.832 -3.350 1.00 2.30 H new ATOM 0 HZ3 LYS A 29 -10.463 7.708 -3.394 1.00 2.30 H new ATOM 452 N GLU A 30 -12.844 2.359 -2.624 1.00 0.51 N ATOM 453 CA GLU A 30 -14.132 2.165 -3.275 1.00 0.60 C ATOM 454 C GLU A 30 -14.881 0.937 -2.760 1.00 0.72 C ATOM 455 O GLU A 30 -15.896 0.546 -3.338 1.00 0.99 O ATOM 456 CB GLU A 30 -13.953 2.061 -4.789 1.00 0.77 C ATOM 457 CG GLU A 30 -13.351 3.305 -5.421 1.00 1.20 C ATOM 458 CD GLU A 30 -13.134 3.151 -6.913 1.00 1.95 C ATOM 459 OE1 GLU A 30 -14.098 3.361 -7.679 1.00 2.35 O ATOM 460 OE2 GLU A 30 -11.999 2.817 -7.315 1.00 2.65 O ATOM 0 H GLU A 30 -12.039 2.273 -3.244 1.00 0.51 H new ATOM 0 HA GLU A 30 -14.737 3.038 -3.031 1.00 0.60 H new ATOM 0 HB2 GLU A 30 -13.315 1.206 -5.012 1.00 0.77 H new ATOM 0 HB3 GLU A 30 -14.922 1.864 -5.248 1.00 0.77 H new ATOM 0 HG2 GLU A 30 -14.008 4.155 -5.239 1.00 1.20 H new ATOM 0 HG3 GLU A 30 -12.399 3.529 -4.940 1.00 1.20 H new ATOM 467 N ARG A 31 -14.400 0.332 -1.682 1.00 0.67 N ATOM 468 CA ARG A 31 -15.062 -0.843 -1.130 1.00 0.85 C ATOM 469 C ARG A 31 -15.334 -0.702 0.367 1.00 0.86 C ATOM 470 O ARG A 31 -16.482 -0.776 0.803 1.00 1.62 O ATOM 471 CB ARG A 31 -14.228 -2.099 -1.389 1.00 0.91 C ATOM 472 CG ARG A 31 -14.464 -2.719 -2.757 1.00 1.48 C ATOM 473 CD ARG A 31 -13.710 -1.979 -3.852 1.00 1.55 C ATOM 474 NE ARG A 31 -13.804 -2.663 -5.140 1.00 1.36 N ATOM 475 CZ ARG A 31 -13.139 -2.281 -6.228 1.00 1.60 C ATOM 476 NH1 ARG A 31 -12.344 -1.221 -6.187 1.00 2.36 N ATOM 477 NH2 ARG A 31 -13.275 -2.956 -7.362 1.00 1.64 N ATOM 0 H ARG A 31 -13.565 0.630 -1.178 1.00 0.67 H new ATOM 0 HA ARG A 31 -16.024 -0.934 -1.635 1.00 0.85 H new ATOM 0 HB2 ARG A 31 -13.172 -1.849 -1.291 1.00 0.91 H new ATOM 0 HB3 ARG A 31 -14.454 -2.839 -0.621 1.00 0.91 H new ATOM 0 HG2 ARG A 31 -14.150 -3.763 -2.742 1.00 1.48 H new ATOM 0 HG3 ARG A 31 -15.531 -2.710 -2.981 1.00 1.48 H new ATOM 0 HD2 ARG A 31 -14.109 -0.969 -3.948 1.00 1.55 H new ATOM 0 HD3 ARG A 31 -12.662 -1.882 -3.569 1.00 1.55 H new ATOM 0 HE ARG A 31 -14.413 -3.478 -5.209 1.00 1.36 H new ATOM 0 HH11 ARG A 31 -12.240 -0.695 -5.319 1.00 2.36 H new ATOM 0 HH12 ARG A 31 -11.836 -0.932 -7.023 1.00 2.36 H new ATOM 0 HH21 ARG A 31 -13.890 -3.769 -7.401 1.00 1.64 H new ATOM 0 HH22 ARG A 31 -12.765 -2.662 -8.195 1.00 1.64 H new ATOM 491 N LEU A 32 -14.278 -0.503 1.151 1.00 0.89 N ATOM 492 CA LEU A 32 -14.405 -0.386 2.597 1.00 0.81 C ATOM 493 C LEU A 32 -14.256 1.060 3.052 1.00 0.96 C ATOM 494 O LEU A 32 -14.666 1.989 2.355 1.00 1.34 O ATOM 495 CB LEU A 32 -13.349 -1.250 3.298 1.00 0.66 C ATOM 496 CG LEU A 32 -12.922 -2.531 2.575 1.00 0.62 C ATOM 497 CD1 LEU A 32 -14.106 -3.267 2.000 1.00 0.57 C ATOM 498 CD2 LEU A 32 -11.919 -2.231 1.485 1.00 0.84 C ATOM 0 H LEU A 32 -13.322 -0.419 0.805 1.00 0.89 H new ATOM 0 HA LEU A 32 -15.402 -0.735 2.868 1.00 0.81 H new ATOM 0 HB2 LEU A 32 -12.462 -0.638 3.461 1.00 0.66 H new ATOM 0 HB3 LEU A 32 -13.731 -1.525 4.281 1.00 0.66 H new ATOM 0 HG LEU A 32 -12.451 -3.175 3.317 1.00 0.62 H new ATOM 0 HD11 LEU A 32 -13.763 -4.170 1.495 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -14.791 -3.538 2.803 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -14.621 -2.625 1.285 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -11.633 -3.158 0.988 1.00 0.84 H new ATOM 0 HD22 LEU A 32 -12.364 -1.552 0.758 1.00 0.84 H new ATOM 0 HD23 LEU A 32 -11.035 -1.766 1.922 1.00 0.84 H new ATOM 510 N ASN A 33 -13.661 1.240 4.230 1.00 1.19 N ATOM 511 CA ASN A 33 -13.458 2.564 4.791 1.00 1.38 C ATOM 512 C ASN A 33 -12.022 3.038 4.582 1.00 1.19 C ATOM 513 O ASN A 33 -11.189 2.957 5.484 1.00 1.59 O ATOM 514 CB ASN A 33 -13.802 2.568 6.283 1.00 1.78 C ATOM 515 CG ASN A 33 -13.765 3.959 6.881 1.00 2.08 C ATOM 516 OD1 ASN A 33 -14.767 4.675 6.883 1.00 2.08 O ATOM 517 ND2 ASN A 33 -12.605 4.352 7.395 1.00 3.05 N ATOM 0 H ASN A 33 -13.312 0.479 4.812 1.00 1.19 H new ATOM 0 HA ASN A 33 -14.122 3.254 4.271 1.00 1.38 H new ATOM 0 HB2 ASN A 33 -14.795 2.141 6.425 1.00 1.78 H new ATOM 0 HB3 ASN A 33 -13.100 1.927 6.817 1.00 1.78 H new ATOM 0 HD21 ASN A 33 -12.520 5.279 7.812 1.00 3.05 H new ATOM 0 HD22 ASN A 33 -11.799 3.727 7.373 1.00 3.05 H new ATOM 524 N ILE A 34 -11.745 3.526 3.378 1.00 0.75 N ATOM 525 CA ILE A 34 -10.417 4.035 3.057 1.00 0.62 C ATOM 526 C ILE A 34 -10.530 5.344 2.276 1.00 0.54 C ATOM 527 O ILE A 34 -10.474 5.354 1.053 1.00 0.68 O ATOM 528 CB ILE A 34 -9.564 3.003 2.283 1.00 0.56 C ATOM 529 CG1 ILE A 34 -9.334 1.756 3.137 1.00 0.64 C ATOM 530 CG2 ILE A 34 -8.233 3.607 1.872 1.00 0.64 C ATOM 531 CD1 ILE A 34 -10.480 0.769 3.089 1.00 0.65 C ATOM 0 H ILE A 34 -12.417 3.580 2.613 1.00 0.75 H new ATOM 0 HA ILE A 34 -9.902 4.225 3.998 1.00 0.62 H new ATOM 0 HB ILE A 34 -10.107 2.718 1.382 1.00 0.56 H new ATOM 0 HG12 ILE A 34 -8.423 1.259 2.802 1.00 0.64 H new ATOM 0 HG13 ILE A 34 -9.170 2.059 4.171 1.00 0.64 H new ATOM 0 HG21 ILE A 34 -7.649 2.864 1.329 1.00 0.64 H new ATOM 0 HG22 ILE A 34 -8.408 4.471 1.231 1.00 0.64 H new ATOM 0 HG23 ILE A 34 -7.686 3.920 2.761 1.00 0.64 H new ATOM 0 HD11 ILE A 34 -10.247 -0.090 3.718 1.00 0.65 H new ATOM 0 HD12 ILE A 34 -11.389 1.249 3.452 1.00 0.65 H new ATOM 0 HD13 ILE A 34 -10.631 0.436 2.062 1.00 0.65 H new ATOM 543 N PRO A 35 -10.690 6.476 2.990 1.00 0.46 N ATOM 544 CA PRO A 35 -10.850 7.798 2.367 1.00 0.49 C ATOM 545 C PRO A 35 -9.559 8.367 1.788 1.00 0.51 C ATOM 546 O PRO A 35 -8.828 9.086 2.470 1.00 0.56 O ATOM 547 CB PRO A 35 -11.321 8.661 3.534 1.00 0.58 C ATOM 548 CG PRO A 35 -10.643 8.049 4.705 1.00 0.62 C ATOM 549 CD PRO A 35 -10.716 6.567 4.464 1.00 0.56 C ATOM 0 HA PRO A 35 -11.530 7.757 1.516 1.00 0.49 H new ATOM 0 HB2 PRO A 35 -11.035 9.705 3.404 1.00 0.58 H new ATOM 0 HB3 PRO A 35 -12.406 8.638 3.640 1.00 0.58 H new ATOM 0 HG2 PRO A 35 -9.609 8.386 4.784 1.00 0.62 H new ATOM 0 HG3 PRO A 35 -11.139 8.323 5.636 1.00 0.62 H new ATOM 0 HD2 PRO A 35 -9.875 6.041 4.917 1.00 0.56 H new ATOM 0 HD3 PRO A 35 -11.625 6.133 4.880 1.00 0.56 H new ATOM 557 N VAL A 36 -9.289 8.045 0.531 1.00 0.54 N ATOM 558 CA VAL A 36 -8.100 8.534 -0.154 1.00 0.59 C ATOM 559 C VAL A 36 -8.369 8.639 -1.649 1.00 0.57 C ATOM 560 O VAL A 36 -9.319 8.039 -2.153 1.00 0.58 O ATOM 561 CB VAL A 36 -6.883 7.620 0.090 1.00 0.61 C ATOM 562 CG1 VAL A 36 -6.492 7.615 1.563 1.00 1.14 C ATOM 563 CG2 VAL A 36 -7.183 6.216 -0.393 1.00 0.88 C ATOM 0 H VAL A 36 -9.882 7.442 -0.039 1.00 0.54 H new ATOM 0 HA VAL A 36 -7.867 9.519 0.251 1.00 0.59 H new ATOM 0 HB VAL A 36 -6.037 8.010 -0.476 1.00 0.61 H new ATOM 0 HG11 VAL A 36 -5.631 6.963 1.709 1.00 1.14 H new ATOM 0 HG12 VAL A 36 -6.237 8.628 1.875 1.00 1.14 H new ATOM 0 HG13 VAL A 36 -7.328 7.251 2.160 1.00 1.14 H new ATOM 0 HG21 VAL A 36 -6.317 5.578 -0.216 1.00 0.88 H new ATOM 0 HG22 VAL A 36 -8.042 5.821 0.149 1.00 0.88 H new ATOM 0 HG23 VAL A 36 -7.406 6.238 -1.460 1.00 0.88 H new ATOM 573 N ILE A 37 -7.542 9.396 -2.359 1.00 0.60 N ATOM 574 CA ILE A 37 -7.729 9.570 -3.794 1.00 0.64 C ATOM 575 C ILE A 37 -6.910 8.547 -4.577 1.00 0.59 C ATOM 576 O ILE A 37 -5.706 8.400 -4.368 1.00 0.57 O ATOM 577 CB ILE A 37 -7.359 10.997 -4.242 1.00 0.77 C ATOM 578 CG1 ILE A 37 -8.023 12.033 -3.330 1.00 0.87 C ATOM 579 CG2 ILE A 37 -7.768 11.222 -5.692 1.00 0.85 C ATOM 580 CD1 ILE A 37 -9.538 11.975 -3.337 1.00 0.90 C ATOM 0 H ILE A 37 -6.742 9.895 -1.969 1.00 0.60 H new ATOM 0 HA ILE A 37 -8.786 9.410 -4.005 1.00 0.64 H new ATOM 0 HB ILE A 37 -6.278 11.114 -4.167 1.00 0.77 H new ATOM 0 HG12 ILE A 37 -7.668 11.886 -2.310 1.00 0.87 H new ATOM 0 HG13 ILE A 37 -7.706 13.030 -3.637 1.00 0.87 H new ATOM 0 HG21 ILE A 37 -7.500 12.235 -5.993 1.00 0.85 H new ATOM 0 HG22 ILE A 37 -7.252 10.505 -6.331 1.00 0.85 H new ATOM 0 HG23 ILE A 37 -8.845 11.087 -5.791 1.00 0.85 H new ATOM 0 HD11 ILE A 37 -9.934 12.738 -2.668 1.00 0.90 H new ATOM 0 HD12 ILE A 37 -9.904 12.153 -4.348 1.00 0.90 H new ATOM 0 HD13 ILE A 37 -9.866 10.992 -3.000 1.00 0.90 H new ATOM 592 N ALA A 38 -7.584 7.846 -5.481 1.00 0.59 N ATOM 593 CA ALA A 38 -6.953 6.808 -6.294 1.00 0.61 C ATOM 594 C ALA A 38 -5.830 7.350 -7.175 1.00 0.57 C ATOM 595 O ALA A 38 -4.787 6.712 -7.318 1.00 0.64 O ATOM 596 CB ALA A 38 -7.998 6.112 -7.153 1.00 0.67 C ATOM 0 H ALA A 38 -8.577 7.978 -5.672 1.00 0.59 H new ATOM 0 HA ALA A 38 -6.502 6.093 -5.605 1.00 0.61 H new ATOM 0 HB1 ALA A 38 -7.519 5.340 -7.755 1.00 0.67 H new ATOM 0 HB2 ALA A 38 -8.751 5.656 -6.511 1.00 0.67 H new ATOM 0 HB3 ALA A 38 -8.474 6.841 -7.809 1.00 0.67 H new ATOM 602 N GLU A 39 -6.034 8.519 -7.770 1.00 0.51 N ATOM 603 CA GLU A 39 -5.017 9.100 -8.638 1.00 0.57 C ATOM 604 C GLU A 39 -3.873 9.691 -7.824 1.00 0.47 C ATOM 605 O GLU A 39 -2.772 9.887 -8.337 1.00 0.50 O ATOM 606 CB GLU A 39 -5.624 10.156 -9.557 1.00 0.76 C ATOM 607 CG GLU A 39 -6.432 11.217 -8.827 1.00 0.57 C ATOM 608 CD GLU A 39 -7.089 12.203 -9.773 1.00 0.94 C ATOM 609 OE1 GLU A 39 -6.400 13.141 -10.226 1.00 1.28 O ATOM 610 OE2 GLU A 39 -8.293 12.038 -10.061 1.00 1.23 O ATOM 0 H GLU A 39 -6.882 9.077 -7.670 1.00 0.51 H new ATOM 0 HA GLU A 39 -4.612 8.300 -9.257 1.00 0.57 H new ATOM 0 HB2 GLU A 39 -4.823 10.642 -10.114 1.00 0.76 H new ATOM 0 HB3 GLU A 39 -6.266 9.663 -10.287 1.00 0.76 H new ATOM 0 HG2 GLU A 39 -7.199 10.733 -8.223 1.00 0.57 H new ATOM 0 HG3 GLU A 39 -5.780 11.757 -8.141 1.00 0.57 H new ATOM 617 N GLN A 40 -4.140 9.979 -6.554 1.00 0.43 N ATOM 618 CA GLN A 40 -3.120 10.527 -5.671 1.00 0.45 C ATOM 619 C GLN A 40 -1.990 9.526 -5.501 1.00 0.37 C ATOM 620 O GLN A 40 -0.820 9.896 -5.435 1.00 0.47 O ATOM 621 CB GLN A 40 -3.707 10.847 -4.301 1.00 0.55 C ATOM 622 CG GLN A 40 -3.362 12.238 -3.798 1.00 0.49 C ATOM 623 CD GLN A 40 -3.264 12.303 -2.287 1.00 0.48 C ATOM 624 OE1 GLN A 40 -2.192 12.108 -1.714 1.00 0.75 O ATOM 625 NE2 GLN A 40 -4.385 12.577 -1.628 1.00 0.75 N ATOM 0 H GLN A 40 -5.051 9.842 -6.116 1.00 0.43 H new ATOM 0 HA GLN A 40 -2.740 11.445 -6.120 1.00 0.45 H new ATOM 0 HB2 GLN A 40 -4.791 10.746 -4.348 1.00 0.55 H new ATOM 0 HB3 GLN A 40 -3.349 10.111 -3.581 1.00 0.55 H new ATOM 0 HG2 GLN A 40 -2.414 12.553 -4.234 1.00 0.49 H new ATOM 0 HG3 GLN A 40 -4.120 12.943 -4.140 1.00 0.49 H new ATOM 0 HE21 GLN A 40 -5.253 12.732 -2.141 1.00 0.75 H new ATOM 0 HE22 GLN A 40 -4.377 12.632 -0.610 1.00 0.75 H new ATOM 634 N VAL A 41 -2.358 8.251 -5.435 1.00 0.31 N ATOM 635 CA VAL A 41 -1.389 7.183 -5.267 1.00 0.31 C ATOM 636 C VAL A 41 -0.846 6.731 -6.616 1.00 0.33 C ATOM 637 O VAL A 41 0.210 6.105 -6.698 1.00 0.43 O ATOM 638 CB VAL A 41 -1.998 5.973 -4.532 1.00 0.31 C ATOM 639 CG1 VAL A 41 -2.714 6.417 -3.266 1.00 0.31 C ATOM 640 CG2 VAL A 41 -2.945 5.211 -5.441 1.00 0.35 C ATOM 0 H VAL A 41 -3.326 7.935 -5.496 1.00 0.31 H new ATOM 0 HA VAL A 41 -0.575 7.582 -4.662 1.00 0.31 H new ATOM 0 HB VAL A 41 -1.185 5.305 -4.249 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -3.136 5.547 -2.763 1.00 0.31 H new ATOM 0 HG12 VAL A 41 -2.005 6.912 -2.602 1.00 0.31 H new ATOM 0 HG13 VAL A 41 -3.514 7.111 -3.525 1.00 0.31 H new ATOM 0 HG21 VAL A 41 -3.363 4.361 -4.901 1.00 0.35 H new ATOM 0 HG22 VAL A 41 -3.752 5.870 -5.760 1.00 0.35 H new ATOM 0 HG23 VAL A 41 -2.401 4.853 -6.315 1.00 0.35 H new ATOM 650 N ALA A 42 -1.585 7.057 -7.673 1.00 0.34 N ATOM 651 CA ALA A 42 -1.196 6.685 -9.026 1.00 0.44 C ATOM 652 C ALA A 42 0.101 7.368 -9.458 1.00 0.57 C ATOM 653 O ALA A 42 0.878 6.809 -10.231 1.00 0.77 O ATOM 654 CB ALA A 42 -2.316 7.019 -10.002 1.00 0.42 C ATOM 0 H ALA A 42 -2.459 7.580 -7.616 1.00 0.34 H new ATOM 0 HA ALA A 42 -1.016 5.610 -9.032 1.00 0.44 H new ATOM 0 HB1 ALA A 42 -2.015 6.737 -11.011 1.00 0.42 H new ATOM 0 HB2 ALA A 42 -3.216 6.470 -9.725 1.00 0.42 H new ATOM 0 HB3 ALA A 42 -2.520 8.089 -9.970 1.00 0.42 H new ATOM 660 N ARG A 43 0.332 8.576 -8.951 1.00 0.49 N ATOM 661 CA ARG A 43 1.527 9.341 -9.305 1.00 0.61 C ATOM 662 C ARG A 43 2.694 9.069 -8.356 1.00 0.69 C ATOM 663 O ARG A 43 3.827 9.465 -8.631 1.00 0.81 O ATOM 664 CB ARG A 43 1.203 10.837 -9.317 1.00 0.60 C ATOM 665 CG ARG A 43 0.603 11.348 -8.016 1.00 0.85 C ATOM 666 CD ARG A 43 1.676 11.814 -7.045 1.00 0.68 C ATOM 667 NE ARG A 43 2.397 12.979 -7.548 1.00 1.29 N ATOM 668 CZ ARG A 43 3.377 13.585 -6.884 1.00 1.91 C ATOM 669 NH1 ARG A 43 3.747 13.141 -5.691 1.00 2.11 N ATOM 670 NH2 ARG A 43 3.986 14.637 -7.413 1.00 2.62 N ATOM 0 H ARG A 43 -0.291 9.047 -8.295 1.00 0.49 H new ATOM 0 HA ARG A 43 1.836 9.020 -10.300 1.00 0.61 H new ATOM 0 HB2 ARG A 43 2.115 11.395 -9.529 1.00 0.60 H new ATOM 0 HB3 ARG A 43 0.508 11.042 -10.131 1.00 0.60 H new ATOM 0 HG2 ARG A 43 -0.078 12.172 -8.229 1.00 0.85 H new ATOM 0 HG3 ARG A 43 0.012 10.558 -7.553 1.00 0.85 H new ATOM 0 HD2 ARG A 43 1.217 12.057 -6.087 1.00 0.68 H new ATOM 0 HD3 ARG A 43 2.380 11.002 -6.865 1.00 0.68 H new ATOM 0 HE ARG A 43 2.134 13.350 -8.461 1.00 1.29 H new ATOM 0 HH11 ARG A 43 3.280 12.333 -5.280 1.00 2.11 H new ATOM 0 HH12 ARG A 43 4.499 13.608 -5.184 1.00 2.11 H new ATOM 0 HH21 ARG A 43 3.703 14.982 -8.330 1.00 2.62 H new ATOM 0 HH22 ARG A 43 4.738 15.101 -6.903 1.00 2.62 H new ATOM 684 N GLU A 44 2.421 8.397 -7.243 1.00 0.79 N ATOM 685 CA GLU A 44 3.457 8.096 -6.260 1.00 1.09 C ATOM 686 C GLU A 44 3.659 6.604 -6.082 1.00 1.38 C ATOM 687 O GLU A 44 4.157 6.155 -5.051 1.00 2.24 O ATOM 688 CB GLU A 44 3.108 8.684 -4.917 1.00 1.18 C ATOM 689 CG GLU A 44 1.694 8.379 -4.479 1.00 1.05 C ATOM 690 CD GLU A 44 1.359 8.962 -3.120 1.00 1.37 C ATOM 691 OE1 GLU A 44 0.924 10.130 -3.067 1.00 1.47 O ATOM 692 OE2 GLU A 44 1.530 8.248 -2.110 1.00 1.65 O ATOM 0 H GLU A 44 1.493 8.051 -6.999 1.00 0.79 H new ATOM 0 HA GLU A 44 4.378 8.538 -6.642 1.00 1.09 H new ATOM 0 HB2 GLU A 44 3.803 8.302 -4.169 1.00 1.18 H new ATOM 0 HB3 GLU A 44 3.244 9.765 -4.955 1.00 1.18 H new ATOM 0 HG2 GLU A 44 0.997 8.772 -5.219 1.00 1.05 H new ATOM 0 HG3 GLU A 44 1.553 7.299 -4.450 1.00 1.05 H new ATOM 699 N GLN A 45 3.264 5.846 -7.079 1.00 0.72 N ATOM 700 CA GLN A 45 3.378 4.394 -7.054 1.00 0.93 C ATOM 701 C GLN A 45 4.624 3.945 -7.820 1.00 0.74 C ATOM 702 O GLN A 45 4.574 3.748 -9.035 1.00 0.80 O ATOM 703 CB GLN A 45 2.130 3.767 -7.681 1.00 1.18 C ATOM 704 CG GLN A 45 2.179 2.251 -7.769 1.00 1.69 C ATOM 705 CD GLN A 45 1.322 1.709 -8.897 1.00 1.85 C ATOM 706 OE1 GLN A 45 0.130 1.465 -8.723 1.00 2.15 O ATOM 707 NE2 GLN A 45 1.930 1.515 -10.061 1.00 2.52 N ATOM 0 H GLN A 45 2.852 6.214 -7.936 1.00 0.72 H new ATOM 0 HA GLN A 45 3.466 4.066 -6.018 1.00 0.93 H new ATOM 0 HB2 GLN A 45 1.257 4.059 -7.098 1.00 1.18 H new ATOM 0 HB3 GLN A 45 1.995 4.175 -8.683 1.00 1.18 H new ATOM 0 HG2 GLN A 45 3.211 1.931 -7.915 1.00 1.69 H new ATOM 0 HG3 GLN A 45 1.843 1.824 -6.824 1.00 1.69 H new ATOM 0 HE21 GLN A 45 2.922 1.731 -10.161 1.00 2.52 H new ATOM 0 HE22 GLN A 45 1.405 1.150 -10.856 1.00 2.52 H new ATOM 716 N PRO A 46 5.760 3.787 -7.119 1.00 0.61 N ATOM 717 CA PRO A 46 7.027 3.356 -7.721 1.00 0.48 C ATOM 718 C PRO A 46 6.867 2.175 -8.676 1.00 0.45 C ATOM 719 O PRO A 46 6.498 1.076 -8.265 1.00 0.61 O ATOM 720 CB PRO A 46 7.880 2.944 -6.508 1.00 0.62 C ATOM 721 CG PRO A 46 6.951 2.990 -5.336 1.00 0.65 C ATOM 722 CD PRO A 46 5.918 4.008 -5.680 1.00 0.75 C ATOM 0 HA PRO A 46 7.466 4.148 -8.328 1.00 0.48 H new ATOM 0 HB2 PRO A 46 8.296 1.945 -6.641 1.00 0.62 H new ATOM 0 HB3 PRO A 46 8.721 3.624 -6.370 1.00 0.62 H new ATOM 0 HG2 PRO A 46 6.496 2.015 -5.158 1.00 0.65 H new ATOM 0 HG3 PRO A 46 7.483 3.264 -4.425 1.00 0.65 H new ATOM 0 HD2 PRO A 46 4.987 3.848 -5.136 1.00 0.75 H new ATOM 0 HD3 PRO A 46 6.249 5.022 -5.454 1.00 0.75 H new ATOM 730 N GLU A 47 7.143 2.417 -9.954 1.00 0.45 N ATOM 731 CA GLU A 47 7.044 1.379 -10.976 1.00 0.52 C ATOM 732 C GLU A 47 7.970 0.205 -10.653 1.00 0.48 C ATOM 733 O GLU A 47 7.675 -0.942 -10.986 1.00 0.49 O ATOM 734 CB GLU A 47 7.394 1.959 -12.349 1.00 0.65 C ATOM 735 CG GLU A 47 7.854 0.915 -13.353 1.00 0.87 C ATOM 736 CD GLU A 47 8.290 1.523 -14.671 1.00 1.35 C ATOM 737 OE1 GLU A 47 9.482 1.871 -14.800 1.00 1.78 O ATOM 738 OE2 GLU A 47 7.436 1.652 -15.576 1.00 2.03 O ATOM 0 H GLU A 47 7.438 3.327 -10.308 1.00 0.45 H new ATOM 0 HA GLU A 47 6.018 1.012 -10.992 1.00 0.52 H new ATOM 0 HB2 GLU A 47 6.521 2.475 -12.749 1.00 0.65 H new ATOM 0 HB3 GLU A 47 8.179 2.706 -12.229 1.00 0.65 H new ATOM 0 HG2 GLU A 47 8.682 0.348 -12.928 1.00 0.87 H new ATOM 0 HG3 GLU A 47 7.044 0.209 -13.534 1.00 0.87 H new ATOM 745 N ASN A 48 9.090 0.508 -10.007 1.00 0.51 N ATOM 746 CA ASN A 48 10.067 -0.511 -9.634 1.00 0.51 C ATOM 747 C ASN A 48 9.433 -1.565 -8.729 1.00 0.37 C ATOM 748 O ASN A 48 9.913 -2.697 -8.648 1.00 0.55 O ATOM 749 CB ASN A 48 11.259 0.136 -8.928 1.00 0.64 C ATOM 750 CG ASN A 48 12.347 -0.864 -8.591 1.00 1.34 C ATOM 751 OD1 ASN A 48 12.530 -1.859 -9.293 1.00 2.17 O ATOM 752 ND2 ASN A 48 13.075 -0.606 -7.512 1.00 1.77 N ATOM 0 H ASN A 48 9.346 1.455 -9.729 1.00 0.51 H new ATOM 0 HA ASN A 48 10.414 -1.001 -10.544 1.00 0.51 H new ATOM 0 HB2 ASN A 48 11.673 0.918 -9.564 1.00 0.64 H new ATOM 0 HB3 ASN A 48 10.917 0.618 -8.012 1.00 0.64 H new ATOM 0 HD21 ASN A 48 13.821 -1.244 -7.235 1.00 1.77 H new ATOM 0 HD22 ASN A 48 12.889 0.231 -6.959 1.00 1.77 H new ATOM 759 N LEU A 49 8.353 -1.182 -8.057 1.00 0.29 N ATOM 760 CA LEU A 49 7.645 -2.087 -7.158 1.00 0.21 C ATOM 761 C LEU A 49 6.214 -2.300 -7.631 1.00 0.23 C ATOM 762 O LEU A 49 5.360 -2.760 -6.873 1.00 0.28 O ATOM 763 CB LEU A 49 7.635 -1.533 -5.730 1.00 0.34 C ATOM 764 CG LEU A 49 8.924 -1.742 -4.924 1.00 0.34 C ATOM 765 CD1 LEU A 49 9.259 -3.222 -4.816 1.00 0.65 C ATOM 766 CD2 LEU A 49 10.082 -0.976 -5.546 1.00 0.66 C ATOM 0 H LEU A 49 7.947 -0.248 -8.118 1.00 0.29 H new ATOM 0 HA LEU A 49 8.169 -3.043 -7.164 1.00 0.21 H new ATOM 0 HB2 LEU A 49 7.427 -0.464 -5.777 1.00 0.34 H new ATOM 0 HB3 LEU A 49 6.810 -1.995 -5.187 1.00 0.34 H new ATOM 0 HG LEU A 49 8.759 -1.354 -3.919 1.00 0.34 H new ATOM 0 HD11 LEU A 49 10.176 -3.346 -4.241 1.00 0.65 H new ATOM 0 HD12 LEU A 49 8.443 -3.744 -4.316 1.00 0.65 H new ATOM 0 HD13 LEU A 49 9.398 -3.637 -5.814 1.00 0.65 H new ATOM 0 HD21 LEU A 49 10.985 -1.140 -4.957 1.00 0.66 H new ATOM 0 HD22 LEU A 49 10.245 -1.327 -6.565 1.00 0.66 H new ATOM 0 HD23 LEU A 49 9.847 0.088 -5.562 1.00 0.66 H new ATOM 778 N ARG A 50 5.961 -1.959 -8.890 1.00 0.27 N ATOM 779 CA ARG A 50 4.636 -2.110 -9.471 1.00 0.33 C ATOM 780 C ARG A 50 4.166 -3.550 -9.327 1.00 0.33 C ATOM 781 O ARG A 50 2.969 -3.837 -9.373 1.00 0.43 O ATOM 782 CB ARG A 50 4.646 -1.703 -10.945 1.00 0.41 C ATOM 783 CG ARG A 50 3.256 -1.544 -11.544 1.00 1.10 C ATOM 784 CD ARG A 50 3.322 -1.092 -12.994 1.00 1.23 C ATOM 785 NE ARG A 50 3.813 -2.147 -13.877 1.00 1.88 N ATOM 786 CZ ARG A 50 3.717 -2.105 -15.204 1.00 2.37 C ATOM 787 NH1 ARG A 50 3.157 -1.062 -15.799 1.00 2.41 N ATOM 788 NH2 ARG A 50 4.182 -3.108 -15.936 1.00 3.19 N ATOM 0 H ARG A 50 6.659 -1.576 -9.527 1.00 0.27 H new ATOM 0 HA ARG A 50 3.946 -1.456 -8.938 1.00 0.33 H new ATOM 0 HB2 ARG A 50 5.187 -0.763 -11.050 1.00 0.41 H new ATOM 0 HB3 ARG A 50 5.195 -2.452 -11.516 1.00 0.41 H new ATOM 0 HG2 ARG A 50 2.721 -2.492 -11.481 1.00 1.10 H new ATOM 0 HG3 ARG A 50 2.688 -0.819 -10.961 1.00 1.10 H new ATOM 0 HD2 ARG A 50 2.331 -0.779 -13.321 1.00 1.23 H new ATOM 0 HD3 ARG A 50 3.974 -0.222 -13.073 1.00 1.23 H new ATOM 0 HE ARG A 50 4.255 -2.963 -13.452 1.00 1.88 H new ATOM 0 HH11 ARG A 50 2.798 -0.288 -15.240 1.00 2.41 H new ATOM 0 HH12 ARG A 50 3.085 -1.033 -16.816 1.00 2.41 H new ATOM 0 HH21 ARG A 50 4.614 -3.913 -15.482 1.00 3.19 H new ATOM 0 HH22 ARG A 50 4.108 -3.075 -16.953 1.00 3.19 H new ATOM 802 N THR A 51 5.125 -4.449 -9.147 1.00 0.27 N ATOM 803 CA THR A 51 4.831 -5.862 -8.978 1.00 0.28 C ATOM 804 C THR A 51 4.164 -6.102 -7.627 1.00 0.25 C ATOM 805 O THR A 51 3.165 -6.815 -7.534 1.00 0.30 O ATOM 806 CB THR A 51 6.108 -6.711 -9.078 1.00 0.29 C ATOM 807 OG1 THR A 51 6.881 -6.304 -10.215 1.00 0.35 O ATOM 808 CG2 THR A 51 5.767 -8.186 -9.198 1.00 0.36 C ATOM 0 H THR A 51 6.119 -4.220 -9.115 1.00 0.27 H new ATOM 0 HA THR A 51 4.154 -6.160 -9.778 1.00 0.28 H new ATOM 0 HB THR A 51 6.690 -6.559 -8.169 1.00 0.29 H new ATOM 0 HG1 THR A 51 7.694 -6.849 -10.270 1.00 0.35 H new ATOM 0 HG21 THR A 51 6.686 -8.767 -9.267 1.00 0.36 H new ATOM 0 HG22 THR A 51 5.203 -8.502 -8.320 1.00 0.36 H new ATOM 0 HG23 THR A 51 5.166 -8.349 -10.093 1.00 0.36 H new ATOM 816 N TYR A 52 4.727 -5.497 -6.585 1.00 0.20 N ATOM 817 CA TYR A 52 4.195 -5.621 -5.239 1.00 0.19 C ATOM 818 C TYR A 52 2.797 -5.021 -5.171 1.00 0.18 C ATOM 819 O TYR A 52 1.866 -5.643 -4.662 1.00 0.22 O ATOM 820 CB TYR A 52 5.128 -4.910 -4.255 1.00 0.21 C ATOM 821 CG TYR A 52 4.784 -5.131 -2.800 1.00 0.27 C ATOM 822 CD1 TYR A 52 4.339 -6.369 -2.352 1.00 0.41 C ATOM 823 CD2 TYR A 52 4.894 -4.100 -1.877 1.00 0.27 C ATOM 824 CE1 TYR A 52 4.015 -6.572 -1.028 1.00 0.50 C ATOM 825 CE2 TYR A 52 4.573 -4.295 -0.551 1.00 0.35 C ATOM 826 CZ TYR A 52 4.174 -5.543 -0.122 1.00 0.46 C ATOM 827 OH TYR A 52 3.809 -5.728 1.193 1.00 0.56 O ATOM 0 H TYR A 52 5.559 -4.911 -6.653 1.00 0.20 H new ATOM 0 HA TYR A 52 4.131 -6.676 -4.972 1.00 0.19 H new ATOM 0 HB2 TYR A 52 6.149 -5.250 -4.430 1.00 0.21 H new ATOM 0 HB3 TYR A 52 5.108 -3.840 -4.462 1.00 0.21 H new ATOM 0 HD1 TYR A 52 4.246 -7.185 -3.053 1.00 0.41 H new ATOM 0 HD2 TYR A 52 5.237 -3.129 -2.203 1.00 0.27 H new ATOM 0 HE1 TYR A 52 3.639 -7.530 -0.701 1.00 0.50 H new ATOM 0 HE2 TYR A 52 4.634 -3.474 0.148 1.00 0.35 H new ATOM 0 HH TYR A 52 3.058 -5.137 1.410 1.00 0.56 H new ATOM 837 N PHE A 53 2.673 -3.799 -5.680 1.00 0.17 N ATOM 838 CA PHE A 53 1.395 -3.100 -5.706 1.00 0.18 C ATOM 839 C PHE A 53 0.279 -4.019 -6.197 1.00 0.16 C ATOM 840 O PHE A 53 -0.817 -4.010 -5.643 1.00 0.19 O ATOM 841 CB PHE A 53 1.500 -1.841 -6.578 1.00 0.20 C ATOM 842 CG PHE A 53 0.269 -1.526 -7.383 1.00 0.24 C ATOM 843 CD1 PHE A 53 -0.749 -0.751 -6.849 1.00 0.29 C ATOM 844 CD2 PHE A 53 0.128 -2.011 -8.672 1.00 0.32 C ATOM 845 CE1 PHE A 53 -1.882 -0.465 -7.586 1.00 0.36 C ATOM 846 CE2 PHE A 53 -1.002 -1.729 -9.415 1.00 0.37 C ATOM 847 CZ PHE A 53 -2.003 -0.934 -8.872 1.00 0.37 C ATOM 0 H PHE A 53 3.448 -3.271 -6.082 1.00 0.17 H new ATOM 0 HA PHE A 53 1.145 -2.795 -4.690 1.00 0.18 H new ATOM 0 HB2 PHE A 53 1.725 -0.989 -5.936 1.00 0.20 H new ATOM 0 HB3 PHE A 53 2.343 -1.958 -7.260 1.00 0.20 H new ATOM 0 HD1 PHE A 53 -0.655 -0.366 -5.844 1.00 0.29 H new ATOM 0 HD2 PHE A 53 0.911 -2.617 -9.102 1.00 0.32 H new ATOM 0 HE1 PHE A 53 -2.673 0.128 -7.151 1.00 0.36 H new ATOM 0 HE2 PHE A 53 -1.107 -2.125 -10.414 1.00 0.37 H new ATOM 0 HZ PHE A 53 -2.875 -0.685 -9.459 1.00 0.37 H new ATOM 857 N MET A 54 0.554 -4.810 -7.230 1.00 0.18 N ATOM 858 CA MET A 54 -0.443 -5.733 -7.760 1.00 0.22 C ATOM 859 C MET A 54 -0.722 -6.855 -6.769 1.00 0.25 C ATOM 860 O MET A 54 -1.864 -7.276 -6.610 1.00 0.27 O ATOM 861 CB MET A 54 0.025 -6.315 -9.091 1.00 0.27 C ATOM 862 CG MET A 54 0.295 -5.255 -10.138 1.00 1.07 C ATOM 863 SD MET A 54 1.131 -5.908 -11.596 1.00 1.58 S ATOM 864 CE MET A 54 -0.084 -7.085 -12.186 1.00 1.82 C ATOM 0 H MET A 54 1.452 -4.830 -7.713 1.00 0.18 H new ATOM 0 HA MET A 54 -1.367 -5.178 -7.923 1.00 0.22 H new ATOM 0 HB2 MET A 54 0.933 -6.896 -8.928 1.00 0.27 H new ATOM 0 HB3 MET A 54 -0.732 -7.004 -9.466 1.00 0.27 H new ATOM 0 HG2 MET A 54 -0.649 -4.800 -10.439 1.00 1.07 H new ATOM 0 HG3 MET A 54 0.904 -4.465 -9.699 1.00 1.07 H new ATOM 0 HE1 MET A 54 0.186 -7.415 -13.189 1.00 1.82 H new ATOM 0 HE2 MET A 54 -0.112 -7.945 -11.517 1.00 1.82 H new ATOM 0 HE3 MET A 54 -1.066 -6.612 -12.211 1.00 1.82 H new ATOM 874 N GLU A 55 0.324 -7.345 -6.114 1.00 0.26 N ATOM 875 CA GLU A 55 0.172 -8.407 -5.128 1.00 0.31 C ATOM 876 C GLU A 55 -0.834 -7.983 -4.069 1.00 0.30 C ATOM 877 O GLU A 55 -1.780 -8.709 -3.768 1.00 0.37 O ATOM 878 CB GLU A 55 1.521 -8.729 -4.482 1.00 0.33 C ATOM 879 CG GLU A 55 2.556 -9.235 -5.472 1.00 0.41 C ATOM 880 CD GLU A 55 3.869 -9.607 -4.811 1.00 1.06 C ATOM 881 OE1 GLU A 55 3.937 -10.692 -4.195 1.00 0.92 O ATOM 882 OE2 GLU A 55 4.830 -8.816 -4.911 1.00 1.84 O ATOM 0 H GLU A 55 1.283 -7.025 -6.247 1.00 0.26 H new ATOM 0 HA GLU A 55 -0.194 -9.305 -5.626 1.00 0.31 H new ATOM 0 HB2 GLU A 55 1.904 -7.834 -3.992 1.00 0.33 H new ATOM 0 HB3 GLU A 55 1.374 -9.479 -3.705 1.00 0.33 H new ATOM 0 HG2 GLU A 55 2.158 -10.105 -5.994 1.00 0.41 H new ATOM 0 HG3 GLU A 55 2.738 -8.468 -6.224 1.00 0.41 H new ATOM 889 N ARG A 56 -0.619 -6.802 -3.504 1.00 0.29 N ATOM 890 CA ARG A 56 -1.527 -6.267 -2.507 1.00 0.32 C ATOM 891 C ARG A 56 -2.847 -5.890 -3.167 1.00 0.28 C ATOM 892 O ARG A 56 -3.902 -5.979 -2.555 1.00 0.29 O ATOM 893 CB ARG A 56 -0.911 -5.050 -1.810 1.00 0.40 C ATOM 894 CG ARG A 56 -0.724 -5.236 -0.311 1.00 0.74 C ATOM 895 CD ARG A 56 0.262 -6.352 -0.005 1.00 0.84 C ATOM 896 NE ARG A 56 0.473 -6.518 1.430 1.00 1.54 N ATOM 897 CZ ARG A 56 1.080 -7.572 1.969 1.00 1.82 C ATOM 898 NH1 ARG A 56 1.533 -8.550 1.196 1.00 1.80 N ATOM 899 NH2 ARG A 56 1.233 -7.648 3.284 1.00 2.57 N ATOM 0 H ARG A 56 0.175 -6.200 -3.721 1.00 0.29 H new ATOM 0 HA ARG A 56 -1.710 -7.031 -1.752 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.056 -4.833 -2.264 1.00 0.40 H new ATOM 0 HB3 ARG A 56 -1.547 -4.182 -1.983 1.00 0.40 H new ATOM 0 HG2 ARG A 56 -0.369 -4.305 0.130 1.00 0.74 H new ATOM 0 HG3 ARG A 56 -1.685 -5.462 0.151 1.00 0.74 H new ATOM 0 HD2 ARG A 56 -0.106 -7.287 -0.428 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.215 -6.137 -0.489 1.00 0.84 H new ATOM 0 HE ARG A 56 0.136 -5.785 2.054 1.00 1.54 H new ATOM 0 HH11 ARG A 56 1.417 -8.496 0.184 1.00 1.80 H new ATOM 0 HH12 ARG A 56 1.998 -9.356 1.613 1.00 1.80 H new ATOM 0 HH21 ARG A 56 0.885 -6.898 3.882 1.00 2.57 H new ATOM 0 HH22 ARG A 56 1.698 -8.456 3.697 1.00 2.57 H new ATOM 913 N LEU A 57 -2.767 -5.455 -4.422 1.00 0.29 N ATOM 914 CA LEU A 57 -3.959 -5.080 -5.180 1.00 0.34 C ATOM 915 C LEU A 57 -4.945 -6.243 -5.261 1.00 0.32 C ATOM 916 O LEU A 57 -6.077 -6.143 -4.786 1.00 0.40 O ATOM 917 CB LEU A 57 -3.569 -4.626 -6.590 1.00 0.45 C ATOM 918 CG LEU A 57 -4.739 -4.293 -7.519 1.00 0.58 C ATOM 919 CD1 LEU A 57 -5.562 -3.141 -6.959 1.00 1.09 C ATOM 920 CD2 LEU A 57 -4.232 -3.960 -8.914 1.00 1.03 C ATOM 0 H LEU A 57 -1.891 -5.353 -4.935 1.00 0.29 H new ATOM 0 HA LEU A 57 -4.444 -4.254 -4.660 1.00 0.34 H new ATOM 0 HB2 LEU A 57 -2.931 -3.746 -6.507 1.00 0.45 H new ATOM 0 HB3 LEU A 57 -2.971 -5.410 -7.054 1.00 0.45 H new ATOM 0 HG LEU A 57 -5.383 -5.170 -7.586 1.00 0.58 H new ATOM 0 HD11 LEU A 57 -6.388 -2.921 -7.635 1.00 1.09 H new ATOM 0 HD12 LEU A 57 -5.957 -3.418 -5.982 1.00 1.09 H new ATOM 0 HD13 LEU A 57 -4.931 -2.258 -6.859 1.00 1.09 H new ATOM 0 HD21 LEU A 57 -5.077 -3.726 -9.562 1.00 1.03 H new ATOM 0 HD22 LEU A 57 -3.564 -3.100 -8.863 1.00 1.03 H new ATOM 0 HD23 LEU A 57 -3.691 -4.816 -9.318 1.00 1.03 H new ATOM 932 N ARG A 58 -4.504 -7.341 -5.862 1.00 0.33 N ATOM 933 CA ARG A 58 -5.337 -8.530 -6.012 1.00 0.40 C ATOM 934 C ARG A 58 -5.846 -9.015 -4.662 1.00 0.39 C ATOM 935 O ARG A 58 -7.012 -9.385 -4.522 1.00 0.47 O ATOM 936 CB ARG A 58 -4.544 -9.643 -6.703 1.00 0.49 C ATOM 937 CG ARG A 58 -3.266 -10.033 -5.977 1.00 0.55 C ATOM 938 CD ARG A 58 -2.528 -11.142 -6.708 1.00 0.67 C ATOM 939 NE ARG A 58 -2.016 -10.699 -8.003 1.00 1.20 N ATOM 940 CZ ARG A 58 -1.269 -11.459 -8.799 1.00 1.40 C ATOM 941 NH1 ARG A 58 -0.956 -12.696 -8.439 1.00 0.89 N ATOM 942 NH2 ARG A 58 -0.837 -10.982 -9.957 1.00 2.29 N ATOM 0 H ARG A 58 -3.568 -7.434 -6.256 1.00 0.33 H new ATOM 0 HA ARG A 58 -6.198 -8.267 -6.627 1.00 0.40 H new ATOM 0 HB2 ARG A 58 -5.180 -10.523 -6.797 1.00 0.49 H new ATOM 0 HB3 ARG A 58 -4.292 -9.322 -7.714 1.00 0.49 H new ATOM 0 HG2 ARG A 58 -2.618 -9.162 -5.885 1.00 0.55 H new ATOM 0 HG3 ARG A 58 -3.506 -10.359 -4.965 1.00 0.55 H new ATOM 0 HD2 ARG A 58 -1.700 -11.494 -6.092 1.00 0.67 H new ATOM 0 HD3 ARG A 58 -3.199 -11.989 -6.854 1.00 0.67 H new ATOM 0 HE ARG A 58 -2.244 -9.755 -8.314 1.00 1.20 H new ATOM 0 HH11 ARG A 58 -1.288 -13.068 -7.549 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -0.383 -13.276 -9.052 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -1.077 -10.031 -10.239 1.00 2.29 H new ATOM 0 HH22 ARG A 58 -0.264 -11.565 -10.567 1.00 2.29 H new ATOM 956 N HIS A 59 -4.964 -9.011 -3.671 1.00 0.38 N ATOM 957 CA HIS A 59 -5.324 -9.452 -2.327 1.00 0.50 C ATOM 958 C HIS A 59 -6.377 -8.530 -1.718 1.00 0.44 C ATOM 959 O HIS A 59 -7.403 -8.990 -1.217 1.00 0.46 O ATOM 960 CB HIS A 59 -4.083 -9.496 -1.433 1.00 0.68 C ATOM 961 CG HIS A 59 -4.316 -10.172 -0.119 1.00 1.36 C ATOM 962 ND1 HIS A 59 -4.062 -11.511 0.095 1.00 1.75 N ATOM 963 CD2 HIS A 59 -4.787 -9.688 1.054 1.00 2.34 C ATOM 964 CE1 HIS A 59 -4.366 -11.821 1.340 1.00 2.36 C ATOM 965 NE2 HIS A 59 -4.808 -10.734 1.944 1.00 2.78 N ATOM 0 H HIS A 59 -3.995 -8.708 -3.771 1.00 0.38 H new ATOM 0 HA HIS A 59 -5.744 -10.455 -2.398 1.00 0.50 H new ATOM 0 HB2 HIS A 59 -3.283 -10.014 -1.962 1.00 0.68 H new ATOM 0 HB3 HIS A 59 -3.739 -8.478 -1.252 1.00 0.68 H new ATOM 0 HD1 HIS A 59 -3.696 -12.160 -0.601 1.00 1.75 H new ATOM 0 HD2 HIS A 59 -5.089 -8.670 1.253 1.00 2.34 H new ATOM 0 HE1 HIS A 59 -4.270 -12.798 1.789 1.00 2.36 H new ATOM 974 N TYR A 60 -6.110 -7.227 -1.760 1.00 0.49 N ATOM 975 CA TYR A 60 -7.031 -6.228 -1.227 1.00 0.63 C ATOM 976 C TYR A 60 -8.430 -6.426 -1.793 1.00 0.51 C ATOM 977 O TYR A 60 -9.422 -6.195 -1.108 1.00 0.55 O ATOM 978 CB TYR A 60 -6.543 -4.812 -1.556 1.00 0.94 C ATOM 979 CG TYR A 60 -5.549 -4.239 -0.565 1.00 0.47 C ATOM 980 CD1 TYR A 60 -5.745 -4.369 0.805 1.00 1.22 C ATOM 981 CD2 TYR A 60 -4.421 -3.556 -1.000 1.00 0.97 C ATOM 982 CE1 TYR A 60 -4.847 -3.837 1.710 1.00 2.23 C ATOM 983 CE2 TYR A 60 -3.517 -3.020 -0.102 1.00 1.87 C ATOM 984 CZ TYR A 60 -3.734 -3.163 1.251 1.00 2.50 C ATOM 985 OH TYR A 60 -2.838 -2.628 2.149 1.00 3.56 O ATOM 0 H TYR A 60 -5.257 -6.837 -2.161 1.00 0.49 H new ATOM 0 HA TYR A 60 -7.065 -6.352 -0.145 1.00 0.63 H new ATOM 0 HB2 TYR A 60 -6.085 -4.821 -2.545 1.00 0.94 H new ATOM 0 HB3 TYR A 60 -7.406 -4.148 -1.610 1.00 0.94 H new ATOM 0 HD1 TYR A 60 -6.615 -4.895 1.169 1.00 1.22 H new ATOM 0 HD2 TYR A 60 -4.247 -3.441 -2.060 1.00 0.97 H new ATOM 0 HE1 TYR A 60 -5.015 -3.948 2.771 1.00 2.23 H new ATOM 0 HE2 TYR A 60 -2.645 -2.492 -0.459 1.00 1.87 H new ATOM 0 HH TYR A 60 -2.110 -2.187 1.662 1.00 3.56 H new ATOM 995 N ARG A 61 -8.498 -6.845 -3.053 1.00 0.49 N ATOM 996 CA ARG A 61 -9.778 -7.078 -3.714 1.00 0.60 C ATOM 997 C ARG A 61 -10.542 -8.209 -3.031 1.00 0.51 C ATOM 998 O ARG A 61 -11.747 -8.109 -2.801 1.00 0.58 O ATOM 999 CB ARG A 61 -9.565 -7.403 -5.193 1.00 0.74 C ATOM 1000 CG ARG A 61 -9.012 -6.235 -5.993 1.00 1.16 C ATOM 1001 CD ARG A 61 -8.826 -6.596 -7.458 1.00 1.30 C ATOM 1002 NE ARG A 61 -8.161 -5.528 -8.198 1.00 2.29 N ATOM 1003 CZ ARG A 61 -8.410 -5.244 -9.473 1.00 2.72 C ATOM 1004 NH1 ARG A 61 -9.313 -5.941 -10.149 1.00 2.33 N ATOM 1005 NH2 ARG A 61 -7.755 -4.261 -10.071 1.00 3.83 N ATOM 0 H ARG A 61 -7.682 -7.030 -3.637 1.00 0.49 H new ATOM 0 HA ARG A 61 -10.370 -6.166 -3.637 1.00 0.60 H new ATOM 0 HB2 ARG A 61 -8.881 -8.248 -5.277 1.00 0.74 H new ATOM 0 HB3 ARG A 61 -10.514 -7.716 -5.629 1.00 0.74 H new ATOM 0 HG2 ARG A 61 -9.689 -5.384 -5.911 1.00 1.16 H new ATOM 0 HG3 ARG A 61 -8.057 -5.924 -5.570 1.00 1.16 H new ATOM 0 HD2 ARG A 61 -8.240 -7.512 -7.535 1.00 1.30 H new ATOM 0 HD3 ARG A 61 -9.797 -6.800 -7.908 1.00 1.30 H new ATOM 0 HE ARG A 61 -7.464 -4.966 -7.708 1.00 2.29 H new ATOM 0 HH11 ARG A 61 -9.820 -6.699 -9.691 1.00 2.33 H new ATOM 0 HH12 ARG A 61 -9.501 -5.720 -11.127 1.00 2.33 H new ATOM 0 HH21 ARG A 61 -7.060 -3.722 -9.554 1.00 3.83 H new ATOM 0 HH22 ARG A 61 -7.945 -4.042 -11.049 1.00 3.83 H new ATOM 1019 N GLN A 62 -9.833 -9.282 -2.710 1.00 0.42 N ATOM 1020 CA GLN A 62 -10.442 -10.425 -2.045 1.00 0.44 C ATOM 1021 C GLN A 62 -10.992 -10.011 -0.684 1.00 0.34 C ATOM 1022 O GLN A 62 -12.063 -10.461 -0.263 1.00 0.41 O ATOM 1023 CB GLN A 62 -9.417 -11.547 -1.883 1.00 0.49 C ATOM 1024 CG GLN A 62 -8.868 -12.055 -3.206 1.00 0.65 C ATOM 1025 CD GLN A 62 -7.805 -13.123 -3.027 1.00 1.17 C ATOM 1026 OE1 GLN A 62 -7.823 -13.876 -2.055 1.00 1.68 O ATOM 1027 NE2 GLN A 62 -6.871 -13.191 -3.969 1.00 1.32 N ATOM 0 H GLN A 62 -8.836 -9.385 -2.899 1.00 0.42 H new ATOM 0 HA GLN A 62 -11.266 -10.790 -2.658 1.00 0.44 H new ATOM 0 HB2 GLN A 62 -8.591 -11.189 -1.268 1.00 0.49 H new ATOM 0 HB3 GLN A 62 -9.878 -12.376 -1.346 1.00 0.49 H new ATOM 0 HG2 GLN A 62 -9.686 -12.458 -3.803 1.00 0.65 H new ATOM 0 HG3 GLN A 62 -8.447 -11.219 -3.765 1.00 0.65 H new ATOM 0 HE21 GLN A 62 -6.895 -12.546 -4.759 1.00 1.32 H new ATOM 0 HE22 GLN A 62 -6.130 -13.889 -3.903 1.00 1.32 H new ATOM 1036 N LEU A 63 -10.262 -9.135 -0.006 1.00 0.31 N ATOM 1037 CA LEU A 63 -10.675 -8.656 1.297 1.00 0.40 C ATOM 1038 C LEU A 63 -11.642 -7.502 1.132 1.00 0.49 C ATOM 1039 O LEU A 63 -12.367 -7.158 2.053 1.00 0.75 O ATOM 1040 CB LEU A 63 -9.474 -8.206 2.125 1.00 0.62 C ATOM 1041 CG LEU A 63 -8.427 -9.285 2.407 1.00 0.66 C ATOM 1042 CD1 LEU A 63 -7.265 -8.700 3.194 1.00 1.45 C ATOM 1043 CD2 LEU A 63 -9.047 -10.451 3.164 1.00 1.57 C ATOM 0 H LEU A 63 -9.381 -8.744 -0.341 1.00 0.31 H new ATOM 0 HA LEU A 63 -11.164 -9.476 1.823 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -8.988 -7.379 1.608 1.00 0.62 H new ATOM 0 HB3 LEU A 63 -9.836 -7.818 3.077 1.00 0.62 H new ATOM 0 HG LEU A 63 -8.051 -9.657 1.454 1.00 0.66 H new ATOM 0 HD11 LEU A 63 -6.528 -9.479 3.387 1.00 1.45 H new ATOM 0 HD12 LEU A 63 -6.803 -7.898 2.618 1.00 1.45 H new ATOM 0 HD13 LEU A 63 -7.630 -8.303 4.141 1.00 1.45 H new ATOM 0 HD21 LEU A 63 -8.285 -11.207 3.354 1.00 1.57 H new ATOM 0 HD22 LEU A 63 -9.451 -10.096 4.112 1.00 1.57 H new ATOM 0 HD23 LEU A 63 -9.849 -10.886 2.568 1.00 1.57 H new ATOM 1055 N SER A 64 -11.639 -6.899 -0.047 1.00 0.43 N ATOM 1056 CA SER A 64 -12.538 -5.794 -0.324 1.00 0.60 C ATOM 1057 C SER A 64 -13.971 -6.284 -0.215 1.00 0.76 C ATOM 1058 O SER A 64 -14.875 -5.537 0.162 1.00 0.99 O ATOM 1059 CB SER A 64 -12.281 -5.217 -1.718 1.00 0.65 C ATOM 1060 OG SER A 64 -13.025 -5.909 -2.705 1.00 1.62 O ATOM 0 H SER A 64 -11.027 -7.156 -0.822 1.00 0.43 H new ATOM 0 HA SER A 64 -12.363 -5.001 0.403 1.00 0.60 H new ATOM 0 HB2 SER A 64 -12.548 -4.160 -1.732 1.00 0.65 H new ATOM 0 HB3 SER A 64 -11.218 -5.280 -1.950 1.00 0.65 H new ATOM 0 HG SER A 64 -12.464 -6.602 -3.112 1.00 1.62 H new ATOM 1066 N LEU A 65 -14.166 -7.556 -0.553 1.00 0.70 N ATOM 1067 CA LEU A 65 -15.479 -8.176 -0.483 1.00 0.88 C ATOM 1068 C LEU A 65 -15.798 -8.616 0.944 1.00 0.97 C ATOM 1069 O LEU A 65 -16.889 -8.356 1.451 1.00 1.35 O ATOM 1070 CB LEU A 65 -15.540 -9.386 -1.421 1.00 0.91 C ATOM 1071 CG LEU A 65 -15.030 -9.137 -2.843 1.00 1.53 C ATOM 1072 CD1 LEU A 65 -14.960 -10.444 -3.618 1.00 2.32 C ATOM 1073 CD2 LEU A 65 -15.921 -8.137 -3.564 1.00 1.80 C ATOM 0 H LEU A 65 -13.425 -8.177 -0.879 1.00 0.70 H new ATOM 0 HA LEU A 65 -16.220 -7.439 -0.793 1.00 0.88 H new ATOM 0 HB2 LEU A 65 -14.959 -10.196 -0.981 1.00 0.91 H new ATOM 0 HB3 LEU A 65 -16.573 -9.729 -1.478 1.00 0.91 H new ATOM 0 HG LEU A 65 -14.026 -8.718 -2.780 1.00 1.53 H new ATOM 0 HD11 LEU A 65 -14.596 -10.250 -4.627 1.00 2.32 H new ATOM 0 HD12 LEU A 65 -14.281 -11.131 -3.113 1.00 2.32 H new ATOM 0 HD13 LEU A 65 -15.953 -10.890 -3.671 1.00 2.32 H new ATOM 0 HD21 LEU A 65 -15.542 -7.973 -4.573 1.00 1.80 H new ATOM 0 HD22 LEU A 65 -16.937 -8.527 -3.617 1.00 1.80 H new ATOM 0 HD23 LEU A 65 -15.923 -7.193 -3.020 1.00 1.80 H new ATOM 1085 N GLN A 66 -14.840 -9.281 1.592 1.00 0.75 N ATOM 1086 CA GLN A 66 -15.043 -9.762 2.960 1.00 0.88 C ATOM 1087 C GLN A 66 -15.149 -8.601 3.959 1.00 0.97 C ATOM 1088 O GLN A 66 -16.050 -8.586 4.798 1.00 1.15 O ATOM 1089 CB GLN A 66 -13.922 -10.741 3.366 1.00 0.83 C ATOM 1090 CG GLN A 66 -12.792 -10.120 4.179 1.00 0.81 C ATOM 1091 CD GLN A 66 -13.205 -9.799 5.606 1.00 0.93 C ATOM 1092 OE1 GLN A 66 -12.776 -8.641 6.094 1.00 0.97 O flip ATOM 1093 NE2 GLN A 66 -13.922 -10.567 6.246 1.00 1.04 N flip ATOM 0 H GLN A 66 -13.925 -9.497 1.197 1.00 0.75 H new ATOM 0 HA GLN A 66 -15.992 -10.298 2.984 1.00 0.88 H new ATOM 0 HB2 GLN A 66 -14.361 -11.554 3.944 1.00 0.83 H new ATOM 0 HB3 GLN A 66 -13.500 -11.183 2.463 1.00 0.83 H new ATOM 0 HG2 GLN A 66 -11.943 -10.804 4.196 1.00 0.81 H new ATOM 0 HG3 GLN A 66 -12.456 -9.207 3.688 1.00 0.81 H new ATOM 0 HE21 GLN A 66 -14.227 -11.447 5.829 1.00 1.04 H new ATOM 0 HE22 GLN A 66 -14.211 -10.324 7.193 1.00 1.04 H new ATOM 1102 N LEU A 67 -14.220 -7.645 3.877 1.00 0.88 N ATOM 1103 CA LEU A 67 -14.207 -6.489 4.781 1.00 1.03 C ATOM 1104 C LEU A 67 -15.593 -5.847 4.902 1.00 1.14 C ATOM 1105 O LEU A 67 -16.504 -6.177 4.142 1.00 1.17 O ATOM 1106 CB LEU A 67 -13.167 -5.458 4.323 1.00 0.95 C ATOM 1107 CG LEU A 67 -11.907 -5.391 5.197 1.00 1.23 C ATOM 1108 CD1 LEU A 67 -10.892 -6.425 4.755 1.00 1.87 C ATOM 1109 CD2 LEU A 67 -11.296 -3.999 5.165 1.00 1.86 C ATOM 0 H LEU A 67 -13.464 -7.648 3.192 1.00 0.88 H new ATOM 0 HA LEU A 67 -13.928 -6.848 5.771 1.00 1.03 H new ATOM 0 HB2 LEU A 67 -12.872 -5.689 3.300 1.00 0.95 H new ATOM 0 HB3 LEU A 67 -13.634 -4.473 4.305 1.00 0.95 H new ATOM 0 HG LEU A 67 -12.199 -5.611 6.224 1.00 1.23 H new ATOM 0 HD11 LEU A 67 -10.007 -6.360 5.388 1.00 1.87 H new ATOM 0 HD12 LEU A 67 -11.327 -7.421 4.840 1.00 1.87 H new ATOM 0 HD13 LEU A 67 -10.611 -6.239 3.718 1.00 1.87 H new ATOM 0 HD21 LEU A 67 -10.405 -3.978 5.792 1.00 1.86 H new ATOM 0 HD22 LEU A 67 -11.025 -3.744 4.141 1.00 1.86 H new ATOM 0 HD23 LEU A 67 -12.020 -3.275 5.539 1.00 1.86 H new ATOM 1121 N PRO A 68 -15.770 -4.904 5.855 1.00 1.32 N ATOM 1122 CA PRO A 68 -17.062 -4.241 6.088 1.00 1.51 C ATOM 1123 C PRO A 68 -17.548 -3.439 4.888 1.00 1.30 C ATOM 1124 O PRO A 68 -17.063 -3.617 3.771 1.00 1.48 O ATOM 1125 CB PRO A 68 -16.762 -3.318 7.269 1.00 1.82 C ATOM 1126 CG PRO A 68 -15.317 -3.041 7.122 1.00 1.71 C ATOM 1127 CD PRO A 68 -14.737 -4.370 6.765 1.00 1.46 C ATOM 0 HA PRO A 68 -17.861 -4.960 6.272 1.00 1.51 H new ATOM 0 HB2 PRO A 68 -17.354 -2.404 7.226 1.00 1.82 H new ATOM 0 HB3 PRO A 68 -16.985 -3.798 8.222 1.00 1.82 H new ATOM 0 HG2 PRO A 68 -15.128 -2.300 6.345 1.00 1.71 H new ATOM 0 HG3 PRO A 68 -14.888 -2.652 8.045 1.00 1.71 H new ATOM 0 HD2 PRO A 68 -13.767 -4.277 6.276 1.00 1.46 H new ATOM 0 HD3 PRO A 68 -14.593 -5.004 7.640 1.00 1.46 H new ATOM 1135 N LYS A 69 -18.511 -2.554 5.138 1.00 1.27 N ATOM 1136 CA LYS A 69 -19.090 -1.719 4.089 1.00 1.31 C ATOM 1137 C LYS A 69 -19.777 -2.577 3.037 1.00 1.57 C ATOM 1138 O LYS A 69 -20.994 -2.767 3.068 1.00 2.36 O ATOM 1139 CB LYS A 69 -18.016 -0.836 3.447 1.00 2.04 C ATOM 1140 CG LYS A 69 -17.342 0.114 4.429 1.00 2.94 C ATOM 1141 CD LYS A 69 -18.311 1.164 4.951 1.00 3.72 C ATOM 1142 CE LYS A 69 -17.684 2.008 6.048 1.00 4.17 C ATOM 1143 NZ LYS A 69 -17.415 1.213 7.279 1.00 4.86 N ATOM 0 H LYS A 69 -18.908 -2.397 6.064 1.00 1.27 H new ATOM 0 HA LYS A 69 -19.839 -1.071 4.544 1.00 1.31 H new ATOM 0 HB2 LYS A 69 -17.258 -1.473 2.992 1.00 2.04 H new ATOM 0 HB3 LYS A 69 -18.468 -0.254 2.643 1.00 2.04 H new ATOM 0 HG2 LYS A 69 -16.936 -0.455 5.266 1.00 2.94 H new ATOM 0 HG3 LYS A 69 -16.501 0.606 3.940 1.00 2.94 H new ATOM 0 HD2 LYS A 69 -18.626 1.809 4.131 1.00 3.72 H new ATOM 0 HD3 LYS A 69 -19.206 0.675 5.334 1.00 3.72 H new ATOM 0 HE2 LYS A 69 -16.752 2.440 5.685 1.00 4.17 H new ATOM 0 HE3 LYS A 69 -18.347 2.838 6.290 1.00 4.17 H new ATOM 0 HZ1 LYS A 69 -17.214 1.857 8.071 1.00 4.86 H new ATOM 0 HZ2 LYS A 69 -18.248 0.633 7.507 1.00 4.86 H new ATOM 0 HZ3 LYS A 69 -16.595 0.594 7.120 1.00 4.86 H new