USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=13 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 : amide:sc= -0.0851 K(o=-0.085,f=-1.5) USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= -0.237 (180deg=-1.09) USER MOD Single : A 10 SER OG : rot 150:sc= 0.49 USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -6.45! C(o=-6.4!,f=-7.3!) USER MOD Single : A 24 SER OG : rot 52:sc= 0.0566 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -124:sc= -0.333 (180deg=-0.677) USER MOD Single : A 33 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.17) USER MOD Single : A 40 GLN : amide:sc= -2.06! C(o=-2.1!,f=-2.7!) USER MOD Single : A 45 GLN : amide:sc= -0.641 X(o=-0.64,f=-0.6) USER MOD Single : A 48 ASN : amide:sc= -0.239 K(o=-0.24,f=-3.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -89:sc= 0.289 USER MOD Single : A 54 MET CE :methyl -148:sc= -0.0494 (180deg=-0.852) USER MOD Single : A 59 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 60 TYR OH : rot 77:sc= -1.04 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 64 SER OG : rot 43:sc= -0.4 USER MOD Single : A 66 GLN :FLIP amide:sc= -5.47! C(o=-11!,f=-5.5!) USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= -0.0565 (180deg=-0.312) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 3 0.336 13.029 2.278 1.00 1.62 N ATOM 42 CA ASP A 3 1.272 11.924 2.456 1.00 1.65 C ATOM 43 C ASP A 3 1.665 11.770 3.923 1.00 1.75 C ATOM 44 O ASP A 3 1.379 12.637 4.747 1.00 2.10 O ATOM 45 CB ASP A 3 2.523 12.144 1.603 1.00 2.02 C ATOM 46 CG ASP A 3 2.207 12.228 0.123 1.00 2.83 C ATOM 47 OD1 ASP A 3 1.928 13.345 -0.363 1.00 2.96 O ATOM 48 OD2 ASP A 3 2.239 11.177 -0.551 1.00 3.58 O ATOM 0 HA ASP A 3 0.776 11.008 2.134 1.00 1.65 H new ATOM 0 HB2 ASP A 3 3.017 13.063 1.919 1.00 2.02 H new ATOM 0 HB3 ASP A 3 3.225 11.328 1.776 1.00 2.02 H new ATOM 53 N TRP A 4 2.326 10.660 4.237 1.00 1.79 N ATOM 54 CA TRP A 4 2.759 10.390 5.603 1.00 2.23 C ATOM 55 C TRP A 4 4.015 9.523 5.611 1.00 2.33 C ATOM 56 O TRP A 4 4.622 9.302 6.660 1.00 2.91 O ATOM 57 CB TRP A 4 1.641 9.703 6.392 1.00 2.72 C ATOM 58 CG TRP A 4 1.053 8.515 5.694 1.00 2.37 C ATOM 59 CD1 TRP A 4 1.623 7.283 5.546 1.00 2.53 C ATOM 60 CD2 TRP A 4 -0.225 8.445 5.050 1.00 2.23 C ATOM 61 NE1 TRP A 4 0.780 6.453 4.846 1.00 2.21 N ATOM 62 CE2 TRP A 4 -0.362 7.143 4.532 1.00 2.15 C ATOM 63 CE3 TRP A 4 -1.267 9.358 4.862 1.00 2.65 C ATOM 64 CZ2 TRP A 4 -1.498 6.733 3.837 1.00 2.51 C ATOM 65 CZ3 TRP A 4 -2.394 8.949 4.175 1.00 3.19 C ATOM 66 CH2 TRP A 4 -2.502 7.648 3.668 1.00 3.13 C ATOM 0 H TRP A 4 2.573 9.934 3.565 1.00 1.79 H new ATOM 0 HA TRP A 4 2.993 11.342 6.080 1.00 2.23 H new ATOM 0 HB2 TRP A 4 2.032 9.388 7.359 1.00 2.72 H new ATOM 0 HB3 TRP A 4 0.850 10.426 6.588 1.00 2.72 H new ATOM 0 HD1 TRP A 4 2.595 7.002 5.924 1.00 2.53 H new ATOM 0 HE1 TRP A 4 0.973 5.482 4.600 1.00 2.21 H new ATOM 0 HE3 TRP A 4 -1.192 10.364 5.247 1.00 2.65 H new ATOM 0 HZ2 TRP A 4 -1.583 5.730 3.446 1.00 2.51 H new ATOM 0 HZ3 TRP A 4 -3.206 9.645 4.026 1.00 3.19 H new ATOM 0 HH2 TRP A 4 -3.395 7.361 3.133 1.00 3.13 H new ATOM 77 N ASN A 5 4.400 9.036 4.436 1.00 1.89 N ATOM 78 CA ASN A 5 5.586 8.195 4.307 1.00 1.98 C ATOM 79 C ASN A 5 6.820 9.044 4.029 1.00 2.12 C ATOM 80 O ASN A 5 7.737 8.620 3.324 1.00 2.58 O ATOM 81 CB ASN A 5 5.392 7.172 3.187 1.00 1.85 C ATOM 82 CG ASN A 5 4.148 6.328 3.379 1.00 2.43 C ATOM 83 OD1 ASN A 5 3.069 6.675 2.899 1.00 3.20 O ATOM 84 ND2 ASN A 5 4.291 5.211 4.083 1.00 2.75 N ATOM 0 H ASN A 5 3.908 9.209 3.559 1.00 1.89 H new ATOM 0 HA ASN A 5 5.733 7.666 5.248 1.00 1.98 H new ATOM 0 HB2 ASN A 5 5.330 7.692 2.231 1.00 1.85 H new ATOM 0 HB3 ASN A 5 6.265 6.521 3.139 1.00 1.85 H new ATOM 0 HD21 ASN A 5 3.488 4.603 4.244 1.00 2.75 H new ATOM 0 HD22 ASN A 5 5.204 4.961 4.463 1.00 2.75 H new ATOM 91 N ILE A 6 6.838 10.240 4.598 1.00 1.91 N ATOM 92 CA ILE A 6 7.947 11.164 4.420 1.00 2.11 C ATOM 93 C ILE A 6 9.140 10.751 5.277 1.00 2.18 C ATOM 94 O ILE A 6 10.243 11.278 5.123 1.00 2.38 O ATOM 95 CB ILE A 6 7.520 12.596 4.788 1.00 2.40 C ATOM 96 CG1 ILE A 6 6.165 12.913 4.155 1.00 2.27 C ATOM 97 CG2 ILE A 6 8.576 13.605 4.354 1.00 2.80 C ATOM 98 CD1 ILE A 6 6.219 13.075 2.652 1.00 3.11 C ATOM 0 H ILE A 6 6.089 10.595 5.192 1.00 1.91 H new ATOM 0 HA ILE A 6 8.240 11.136 3.371 1.00 2.11 H new ATOM 0 HB ILE A 6 7.423 12.666 5.871 1.00 2.40 H new ATOM 0 HG12 ILE A 6 5.464 12.116 4.401 1.00 2.27 H new ATOM 0 HG13 ILE A 6 5.773 13.829 4.596 1.00 2.27 H new ATOM 0 HG21 ILE A 6 8.252 14.610 4.625 1.00 2.80 H new ATOM 0 HG22 ILE A 6 9.519 13.381 4.852 1.00 2.80 H new ATOM 0 HG23 ILE A 6 8.713 13.547 3.274 1.00 2.80 H new ATOM 0 HD11 ILE A 6 5.221 13.298 2.274 1.00 3.11 H new ATOM 0 HD12 ILE A 6 6.894 13.892 2.398 1.00 3.11 H new ATOM 0 HD13 ILE A 6 6.580 12.152 2.199 1.00 3.11 H new ATOM 110 N ALA A 7 8.911 9.803 6.176 1.00 2.12 N ATOM 111 CA ALA A 7 9.961 9.317 7.060 1.00 2.32 C ATOM 112 C ALA A 7 10.632 8.072 6.486 1.00 2.11 C ATOM 113 O ALA A 7 11.109 7.213 7.229 1.00 2.41 O ATOM 114 CB ALA A 7 9.394 9.027 8.440 1.00 2.56 C ATOM 0 H ALA A 7 8.005 9.355 6.312 1.00 2.12 H new ATOM 0 HA ALA A 7 10.719 10.096 7.147 1.00 2.32 H new ATOM 0 HB1 ALA A 7 10.189 8.664 9.091 1.00 2.56 H new ATOM 0 HB2 ALA A 7 8.970 9.940 8.858 1.00 2.56 H new ATOM 0 HB3 ALA A 7 8.615 8.268 8.361 1.00 2.56 H new ATOM 120 N ALA A 8 10.673 7.989 5.160 1.00 1.79 N ATOM 121 CA ALA A 8 11.281 6.852 4.483 1.00 1.61 C ATOM 122 C ALA A 8 12.527 7.271 3.705 1.00 1.75 C ATOM 123 O ALA A 8 12.430 7.753 2.575 1.00 1.98 O ATOM 124 CB ALA A 8 10.274 6.192 3.552 1.00 1.44 C ATOM 0 H ALA A 8 10.291 8.697 4.533 1.00 1.79 H new ATOM 0 HA ALA A 8 11.586 6.132 5.243 1.00 1.61 H new ATOM 0 HB1 ALA A 8 10.742 5.344 3.052 1.00 1.44 H new ATOM 0 HB2 ALA A 8 9.417 5.845 4.130 1.00 1.44 H new ATOM 0 HB3 ALA A 8 9.941 6.914 2.806 1.00 1.44 H new ATOM 130 N LYS A 9 13.693 7.088 4.320 1.00 1.76 N ATOM 131 CA LYS A 9 14.959 7.441 3.687 1.00 1.95 C ATOM 132 C LYS A 9 15.601 6.212 3.055 1.00 1.64 C ATOM 133 O LYS A 9 16.634 6.305 2.390 1.00 1.76 O ATOM 134 CB LYS A 9 15.919 8.061 4.707 1.00 2.29 C ATOM 135 CG LYS A 9 15.687 9.545 4.959 1.00 2.78 C ATOM 136 CD LYS A 9 14.340 9.811 5.612 1.00 3.05 C ATOM 137 CE LYS A 9 13.327 10.334 4.607 1.00 3.46 C ATOM 138 NZ LYS A 9 13.794 11.587 3.950 1.00 4.19 N ATOM 0 H LYS A 9 13.786 6.697 5.257 1.00 1.76 H new ATOM 0 HA LYS A 9 14.754 8.174 2.907 1.00 1.95 H new ATOM 0 HB2 LYS A 9 15.825 7.524 5.651 1.00 2.29 H new ATOM 0 HB3 LYS A 9 16.942 7.918 4.360 1.00 2.29 H new ATOM 0 HG2 LYS A 9 16.481 9.932 5.597 1.00 2.78 H new ATOM 0 HG3 LYS A 9 15.745 10.086 4.014 1.00 2.78 H new ATOM 0 HD2 LYS A 9 13.965 8.892 6.063 1.00 3.05 H new ATOM 0 HD3 LYS A 9 14.462 10.535 6.418 1.00 3.05 H new ATOM 0 HE2 LYS A 9 13.142 9.573 3.849 1.00 3.46 H new ATOM 0 HE3 LYS A 9 12.378 10.520 5.111 1.00 3.46 H new ATOM 0 HZ1 LYS A 9 12.972 12.149 3.650 1.00 4.19 H new ATOM 0 HZ2 LYS A 9 14.364 12.140 4.622 1.00 4.19 H new ATOM 0 HZ3 LYS A 9 14.373 11.349 3.119 1.00 4.19 H new ATOM 152 N SER A 10 14.979 5.059 3.274 1.00 1.35 N ATOM 153 CA SER A 10 15.473 3.797 2.737 1.00 1.09 C ATOM 154 C SER A 10 15.336 3.744 1.228 1.00 1.11 C ATOM 155 O SER A 10 15.165 4.765 0.560 1.00 1.47 O ATOM 156 CB SER A 10 14.720 2.632 3.371 1.00 0.96 C ATOM 157 OG SER A 10 15.419 1.412 3.193 1.00 1.54 O ATOM 0 H SER A 10 14.125 4.973 3.824 1.00 1.35 H new ATOM 0 HA SER A 10 16.533 3.720 2.980 1.00 1.09 H new ATOM 0 HB2 SER A 10 14.580 2.822 4.435 1.00 0.96 H new ATOM 0 HB3 SER A 10 13.727 2.553 2.928 1.00 0.96 H new ATOM 0 HG SER A 10 15.230 0.814 3.946 1.00 1.54 H new ATOM 163 N GLN A 11 15.418 2.530 0.708 1.00 1.09 N ATOM 164 CA GLN A 11 15.321 2.334 -0.724 1.00 1.17 C ATOM 165 C GLN A 11 13.912 1.859 -1.030 1.00 0.87 C ATOM 166 O GLN A 11 13.114 2.503 -1.710 1.00 0.82 O ATOM 167 CB GLN A 11 16.351 1.309 -1.205 1.00 1.50 C ATOM 168 CG GLN A 11 16.169 0.912 -2.661 1.00 1.71 C ATOM 169 CD GLN A 11 17.078 -0.229 -3.081 1.00 2.37 C ATOM 170 OE1 GLN A 11 18.259 -0.306 -2.477 1.00 3.07 O flip ATOM 171 NE2 GLN A 11 16.724 -1.032 -3.945 1.00 2.75 N flip ATOM 0 H GLN A 11 15.550 1.677 1.251 1.00 1.09 H new ATOM 0 HA GLN A 11 15.529 3.268 -1.245 1.00 1.17 H new ATOM 0 HB2 GLN A 11 17.352 1.719 -1.070 1.00 1.50 H new ATOM 0 HB3 GLN A 11 16.285 0.417 -0.581 1.00 1.50 H new ATOM 0 HG2 GLN A 11 15.131 0.623 -2.826 1.00 1.71 H new ATOM 0 HG3 GLN A 11 16.364 1.777 -3.295 1.00 1.71 H new ATOM 0 HE21 GLN A 11 15.808 -0.938 -4.385 1.00 2.75 H new ATOM 0 HE22 GLN A 11 17.346 -1.792 -4.221 1.00 2.75 H new ATOM 180 N GLU A 12 13.678 0.679 -0.474 1.00 0.84 N ATOM 181 CA GLU A 12 12.422 -0.054 -0.606 1.00 0.83 C ATOM 182 C GLU A 12 11.328 0.447 0.336 1.00 0.63 C ATOM 183 O GLU A 12 10.154 0.406 -0.014 1.00 0.77 O ATOM 184 CB GLU A 12 12.664 -1.544 -0.362 1.00 1.10 C ATOM 185 CG GLU A 12 13.605 -2.182 -1.373 1.00 1.70 C ATOM 186 CD GLU A 12 13.847 -3.653 -1.095 1.00 2.48 C ATOM 187 OE1 GLU A 12 14.792 -3.966 -0.340 1.00 2.69 O ATOM 188 OE2 GLU A 12 13.090 -4.490 -1.630 1.00 3.39 O ATOM 0 H GLU A 12 14.370 0.192 0.095 1.00 0.84 H new ATOM 0 HA GLU A 12 12.067 0.116 -1.623 1.00 0.83 H new ATOM 0 HB2 GLU A 12 13.075 -1.678 0.639 1.00 1.10 H new ATOM 0 HB3 GLU A 12 11.708 -2.068 -0.387 1.00 1.10 H new ATOM 0 HG2 GLU A 12 13.188 -2.069 -2.374 1.00 1.70 H new ATOM 0 HG3 GLU A 12 14.558 -1.652 -1.362 1.00 1.70 H new ATOM 195 N GLU A 13 11.699 0.908 1.525 1.00 0.53 N ATOM 196 CA GLU A 13 10.701 1.382 2.481 1.00 0.58 C ATOM 197 C GLU A 13 9.755 2.386 1.844 1.00 0.52 C ATOM 198 O GLU A 13 8.540 2.236 1.918 1.00 0.57 O ATOM 199 CB GLU A 13 11.363 2.000 3.712 1.00 0.82 C ATOM 200 CG GLU A 13 12.194 1.007 4.502 1.00 0.84 C ATOM 201 CD GLU A 13 11.370 -0.145 5.043 1.00 1.53 C ATOM 202 OE1 GLU A 13 11.165 -1.129 4.299 1.00 2.54 O ATOM 203 OE2 GLU A 13 10.929 -0.066 6.208 1.00 1.54 O ATOM 0 H GLU A 13 12.665 0.964 1.848 1.00 0.53 H new ATOM 0 HA GLU A 13 10.122 0.514 2.795 1.00 0.58 H new ATOM 0 HB2 GLU A 13 11.998 2.828 3.398 1.00 0.82 H new ATOM 0 HB3 GLU A 13 10.593 2.417 4.361 1.00 0.82 H new ATOM 0 HG2 GLU A 13 12.986 0.614 3.865 1.00 0.84 H new ATOM 0 HG3 GLU A 13 12.678 1.523 5.331 1.00 0.84 H new ATOM 210 N ARG A 14 10.319 3.399 1.216 1.00 0.48 N ATOM 211 CA ARG A 14 9.527 4.445 0.569 1.00 0.50 C ATOM 212 C ARG A 14 8.680 3.911 -0.591 1.00 0.40 C ATOM 213 O ARG A 14 7.567 4.367 -0.814 1.00 0.52 O ATOM 214 CB ARG A 14 10.448 5.557 0.062 1.00 0.58 C ATOM 215 CG ARG A 14 11.521 5.071 -0.900 1.00 1.42 C ATOM 216 CD ARG A 14 12.461 6.197 -1.291 1.00 1.47 C ATOM 217 NE ARG A 14 11.776 7.255 -2.026 1.00 2.39 N ATOM 218 CZ ARG A 14 12.382 8.356 -2.465 1.00 2.61 C ATOM 219 NH1 ARG A 14 13.677 8.535 -2.249 1.00 1.96 N ATOM 220 NH2 ARG A 14 11.689 9.277 -3.122 1.00 3.70 N ATOM 0 H ARG A 14 11.328 3.527 1.136 1.00 0.48 H new ATOM 0 HA ARG A 14 8.841 4.837 1.320 1.00 0.50 H new ATOM 0 HB2 ARG A 14 9.845 6.318 -0.434 1.00 0.58 H new ATOM 0 HB3 ARG A 14 10.928 6.037 0.915 1.00 0.58 H new ATOM 0 HG2 ARG A 14 12.089 4.264 -0.437 1.00 1.42 H new ATOM 0 HG3 ARG A 14 11.052 4.659 -1.793 1.00 1.42 H new ATOM 0 HD2 ARG A 14 12.916 6.616 -0.394 1.00 1.47 H new ATOM 0 HD3 ARG A 14 13.270 5.797 -1.902 1.00 1.47 H new ATOM 0 HE ARG A 14 10.779 7.145 -2.214 1.00 2.39 H new ATOM 0 HH11 ARG A 14 14.212 7.828 -1.745 1.00 1.96 H new ATOM 0 HH12 ARG A 14 14.138 9.380 -2.587 1.00 1.96 H new ATOM 0 HH21 ARG A 14 10.692 9.141 -3.291 1.00 3.70 H new ATOM 0 HH22 ARG A 14 12.153 10.121 -3.458 1.00 3.70 H new ATOM 234 N ASP A 15 9.222 2.973 -1.347 1.00 0.30 N ATOM 235 CA ASP A 15 8.498 2.413 -2.489 1.00 0.37 C ATOM 236 C ASP A 15 7.478 1.339 -2.099 1.00 0.35 C ATOM 237 O ASP A 15 6.285 1.489 -2.362 1.00 0.47 O ATOM 238 CB ASP A 15 9.487 1.838 -3.503 1.00 0.47 C ATOM 239 CG ASP A 15 10.309 2.916 -4.185 1.00 0.64 C ATOM 240 OD1 ASP A 15 11.374 3.281 -3.645 1.00 0.71 O ATOM 241 OD2 ASP A 15 9.887 3.391 -5.259 1.00 0.93 O ATOM 0 H ASP A 15 10.152 2.582 -1.198 1.00 0.30 H new ATOM 0 HA ASP A 15 7.935 3.236 -2.929 1.00 0.37 H new ATOM 0 HB2 ASP A 15 10.155 1.140 -2.999 1.00 0.47 H new ATOM 0 HB3 ASP A 15 8.942 1.270 -4.256 1.00 0.47 H new ATOM 246 N LYS A 16 7.949 0.268 -1.470 1.00 0.30 N ATOM 247 CA LYS A 16 7.086 -0.853 -1.077 1.00 0.32 C ATOM 248 C LYS A 16 5.795 -0.427 -0.371 1.00 0.29 C ATOM 249 O LYS A 16 4.700 -0.669 -0.876 1.00 0.43 O ATOM 250 CB LYS A 16 7.857 -1.822 -0.179 1.00 0.35 C ATOM 251 CG LYS A 16 9.101 -2.400 -0.832 1.00 0.42 C ATOM 252 CD LYS A 16 9.451 -3.767 -0.265 1.00 0.45 C ATOM 253 CE LYS A 16 8.436 -4.822 -0.679 1.00 0.62 C ATOM 254 NZ LYS A 16 8.818 -6.180 -0.201 1.00 1.38 N ATOM 0 H LYS A 16 8.930 0.147 -1.217 1.00 0.30 H new ATOM 0 HA LYS A 16 6.789 -1.339 -2.006 1.00 0.32 H new ATOM 0 HB2 LYS A 16 8.145 -1.305 0.736 1.00 0.35 H new ATOM 0 HB3 LYS A 16 7.196 -2.639 0.111 1.00 0.35 H new ATOM 0 HG2 LYS A 16 8.943 -2.482 -1.907 1.00 0.42 H new ATOM 0 HG3 LYS A 16 9.939 -1.719 -0.684 1.00 0.42 H new ATOM 0 HD2 LYS A 16 10.443 -4.061 -0.609 1.00 0.45 H new ATOM 0 HD3 LYS A 16 9.494 -3.710 0.823 1.00 0.45 H new ATOM 0 HE2 LYS A 16 7.456 -4.559 -0.280 1.00 0.62 H new ATOM 0 HE3 LYS A 16 8.346 -4.832 -1.765 1.00 0.62 H new ATOM 0 HZ1 LYS A 16 8.101 -6.869 -0.504 1.00 1.38 H new ATOM 0 HZ2 LYS A 16 9.741 -6.442 -0.602 1.00 1.38 H new ATOM 0 HZ3 LYS A 16 8.879 -6.178 0.837 1.00 1.38 H new ATOM 268 N VAL A 17 5.924 0.208 0.787 1.00 0.24 N ATOM 269 CA VAL A 17 4.767 0.611 1.563 1.00 0.23 C ATOM 270 C VAL A 17 3.857 1.579 0.804 1.00 0.27 C ATOM 271 O VAL A 17 2.641 1.393 0.770 1.00 0.36 O ATOM 272 CB VAL A 17 5.196 1.232 2.891 1.00 0.22 C ATOM 273 CG1 VAL A 17 6.152 0.313 3.633 1.00 1.27 C ATOM 274 CG2 VAL A 17 5.815 2.582 2.656 1.00 1.23 C ATOM 0 H VAL A 17 6.821 0.453 1.207 1.00 0.24 H new ATOM 0 HA VAL A 17 4.191 -0.294 1.755 1.00 0.23 H new ATOM 0 HB VAL A 17 4.313 1.364 3.516 1.00 0.22 H new ATOM 0 HG11 VAL A 17 6.444 0.776 4.576 1.00 1.27 H new ATOM 0 HG12 VAL A 17 5.660 -0.639 3.833 1.00 1.27 H new ATOM 0 HG13 VAL A 17 7.039 0.142 3.023 1.00 1.27 H new ATOM 0 HG21 VAL A 17 6.117 3.015 3.610 1.00 1.23 H new ATOM 0 HG22 VAL A 17 6.689 2.475 2.013 1.00 1.23 H new ATOM 0 HG23 VAL A 17 5.089 3.236 2.174 1.00 1.23 H new ATOM 284 N ASN A 18 4.445 2.607 0.200 1.00 0.27 N ATOM 285 CA ASN A 18 3.674 3.589 -0.556 1.00 0.32 C ATOM 286 C ASN A 18 2.975 2.929 -1.733 1.00 0.27 C ATOM 287 O ASN A 18 2.017 3.471 -2.283 1.00 0.25 O ATOM 288 CB ASN A 18 4.571 4.719 -1.048 1.00 0.39 C ATOM 289 CG ASN A 18 5.084 5.588 0.083 1.00 0.44 C ATOM 290 OD1 ASN A 18 4.639 6.721 0.263 1.00 0.77 O ATOM 291 ND2 ASN A 18 6.014 5.051 0.865 1.00 0.22 N ATOM 0 H ASN A 18 5.450 2.782 0.219 1.00 0.27 H new ATOM 0 HA ASN A 18 2.920 4.009 0.109 1.00 0.32 H new ATOM 0 HB2 ASN A 18 5.417 4.297 -1.590 1.00 0.39 H new ATOM 0 HB3 ASN A 18 4.017 5.337 -1.754 1.00 0.39 H new ATOM 0 HD21 ASN A 18 6.388 5.582 1.652 1.00 0.22 H new ATOM 0 HD22 ASN A 18 6.354 4.108 0.679 1.00 0.22 H new ATOM 298 N VAL A 19 3.462 1.753 -2.115 1.00 0.33 N ATOM 299 CA VAL A 19 2.877 1.013 -3.219 1.00 0.32 C ATOM 300 C VAL A 19 1.794 0.092 -2.674 1.00 0.33 C ATOM 301 O VAL A 19 0.820 -0.224 -3.358 1.00 0.32 O ATOM 302 CB VAL A 19 3.944 0.198 -3.994 1.00 0.34 C ATOM 303 CG1 VAL A 19 3.778 -1.299 -3.774 1.00 0.40 C ATOM 304 CG2 VAL A 19 3.893 0.528 -5.475 1.00 0.32 C ATOM 0 H VAL A 19 4.260 1.295 -1.674 1.00 0.33 H new ATOM 0 HA VAL A 19 2.444 1.722 -3.925 1.00 0.32 H new ATOM 0 HB VAL A 19 4.922 0.481 -3.604 1.00 0.34 H new ATOM 0 HG11 VAL A 19 4.544 -1.836 -4.333 1.00 0.40 H new ATOM 0 HG12 VAL A 19 3.879 -1.524 -2.712 1.00 0.40 H new ATOM 0 HG13 VAL A 19 2.792 -1.610 -4.119 1.00 0.40 H new ATOM 0 HG21 VAL A 19 4.649 -0.053 -6.003 1.00 0.32 H new ATOM 0 HG22 VAL A 19 2.906 0.283 -5.868 1.00 0.32 H new ATOM 0 HG23 VAL A 19 4.087 1.591 -5.618 1.00 0.32 H new ATOM 314 N ASP A 20 1.986 -0.331 -1.425 1.00 0.37 N ATOM 315 CA ASP A 20 1.029 -1.196 -0.752 1.00 0.40 C ATOM 316 C ASP A 20 -0.248 -0.420 -0.488 1.00 0.40 C ATOM 317 O ASP A 20 -1.352 -0.956 -0.592 1.00 0.41 O ATOM 318 CB ASP A 20 1.615 -1.718 0.561 1.00 0.46 C ATOM 319 CG ASP A 20 0.682 -2.676 1.276 1.00 0.62 C ATOM 320 OD1 ASP A 20 -0.281 -2.201 1.914 1.00 0.82 O ATOM 321 OD2 ASP A 20 0.917 -3.900 1.202 1.00 0.84 O ATOM 0 H ASP A 20 2.799 -0.085 -0.861 1.00 0.37 H new ATOM 0 HA ASP A 20 0.806 -2.052 -1.390 1.00 0.40 H new ATOM 0 HB2 ASP A 20 2.560 -2.221 0.358 1.00 0.46 H new ATOM 0 HB3 ASP A 20 1.836 -0.875 1.216 1.00 0.46 H new ATOM 326 N LEU A 21 -0.086 0.855 -0.147 1.00 0.40 N ATOM 327 CA LEU A 21 -1.222 1.721 0.108 1.00 0.43 C ATOM 328 C LEU A 21 -1.731 2.290 -1.203 1.00 0.30 C ATOM 329 O LEU A 21 -2.920 2.572 -1.348 1.00 0.31 O ATOM 330 CB LEU A 21 -0.853 2.852 1.071 1.00 0.57 C ATOM 331 CG LEU A 21 0.308 3.749 0.636 1.00 0.67 C ATOM 332 CD1 LEU A 21 -0.183 4.878 -0.259 1.00 0.73 C ATOM 333 CD2 LEU A 21 1.026 4.310 1.853 1.00 1.07 C ATOM 0 H LEU A 21 0.822 1.307 -0.042 1.00 0.40 H new ATOM 0 HA LEU A 21 -2.009 1.130 0.577 1.00 0.43 H new ATOM 0 HB2 LEU A 21 -1.733 3.477 1.221 1.00 0.57 H new ATOM 0 HB3 LEU A 21 -0.605 2.414 2.038 1.00 0.57 H new ATOM 0 HG LEU A 21 1.011 3.144 0.063 1.00 0.67 H new ATOM 0 HD11 LEU A 21 0.661 5.501 -0.555 1.00 0.73 H new ATOM 0 HD12 LEU A 21 -0.654 4.459 -1.148 1.00 0.73 H new ATOM 0 HD13 LEU A 21 -0.909 5.484 0.284 1.00 0.73 H new ATOM 0 HD21 LEU A 21 1.849 4.946 1.528 1.00 1.07 H new ATOM 0 HD22 LEU A 21 0.327 4.897 2.449 1.00 1.07 H new ATOM 0 HD23 LEU A 21 1.417 3.490 2.455 1.00 1.07 H new ATOM 345 N ALA A 22 -0.816 2.469 -2.156 1.00 0.24 N ATOM 346 CA ALA A 22 -1.180 2.984 -3.468 1.00 0.23 C ATOM 347 C ALA A 22 -2.363 2.204 -4.018 1.00 0.26 C ATOM 348 O ALA A 22 -3.397 2.775 -4.374 1.00 0.39 O ATOM 349 CB ALA A 22 0.002 2.896 -4.421 1.00 0.26 C ATOM 0 H ALA A 22 0.177 2.265 -2.041 1.00 0.24 H new ATOM 0 HA ALA A 22 -1.462 4.032 -3.369 1.00 0.23 H new ATOM 0 HB1 ALA A 22 -0.288 3.285 -5.397 1.00 0.26 H new ATOM 0 HB2 ALA A 22 0.831 3.484 -4.028 1.00 0.26 H new ATOM 0 HB3 ALA A 22 0.311 1.856 -4.522 1.00 0.26 H new ATOM 355 N ALA A 23 -2.203 0.890 -4.063 1.00 0.26 N ATOM 356 CA ALA A 23 -3.251 0.012 -4.555 1.00 0.38 C ATOM 357 C ALA A 23 -4.447 0.067 -3.621 1.00 0.36 C ATOM 358 O ALA A 23 -5.583 0.260 -4.052 1.00 0.58 O ATOM 359 CB ALA A 23 -2.733 -1.414 -4.665 1.00 0.49 C ATOM 0 H ALA A 23 -1.355 0.408 -3.764 1.00 0.26 H new ATOM 0 HA ALA A 23 -3.559 0.346 -5.546 1.00 0.38 H new ATOM 0 HB1 ALA A 23 -3.528 -2.062 -5.035 1.00 0.49 H new ATOM 0 HB2 ALA A 23 -1.890 -1.443 -5.356 1.00 0.49 H new ATOM 0 HB3 ALA A 23 -2.409 -1.760 -3.683 1.00 0.49 H new ATOM 365 N SER A 24 -4.164 -0.081 -2.332 1.00 0.30 N ATOM 366 CA SER A 24 -5.197 -0.068 -1.299 1.00 0.33 C ATOM 367 C SER A 24 -6.211 1.051 -1.517 1.00 0.27 C ATOM 368 O SER A 24 -7.385 0.791 -1.764 1.00 0.33 O ATOM 369 CB SER A 24 -4.556 0.077 0.083 1.00 0.43 C ATOM 370 OG SER A 24 -5.541 0.097 1.103 1.00 1.36 O ATOM 0 H SER A 24 -3.218 -0.213 -1.973 1.00 0.30 H new ATOM 0 HA SER A 24 -5.731 -1.016 -1.360 1.00 0.33 H new ATOM 0 HB2 SER A 24 -3.866 -0.749 0.256 1.00 0.43 H new ATOM 0 HB3 SER A 24 -3.970 0.995 0.121 1.00 0.43 H new ATOM 0 HG SER A 24 -6.130 -0.680 1.004 1.00 1.36 H new ATOM 376 N GLY A 25 -5.752 2.295 -1.473 1.00 0.27 N ATOM 377 CA GLY A 25 -6.653 3.417 -1.641 1.00 0.34 C ATOM 378 C GLY A 25 -7.500 3.310 -2.894 1.00 0.33 C ATOM 379 O GLY A 25 -8.695 3.590 -2.867 1.00 0.43 O ATOM 0 H GLY A 25 -4.775 2.546 -1.324 1.00 0.27 H new ATOM 0 HA2 GLY A 25 -7.307 3.485 -0.771 1.00 0.34 H new ATOM 0 HA3 GLY A 25 -6.074 4.340 -1.678 1.00 0.34 H new ATOM 383 N VAL A 26 -6.882 2.886 -3.990 1.00 0.29 N ATOM 384 CA VAL A 26 -7.583 2.762 -5.264 1.00 0.37 C ATOM 385 C VAL A 26 -8.811 1.845 -5.179 1.00 0.44 C ATOM 386 O VAL A 26 -9.933 2.286 -5.429 1.00 0.53 O ATOM 387 CB VAL A 26 -6.633 2.258 -6.369 1.00 0.44 C ATOM 388 CG1 VAL A 26 -7.391 2.013 -7.666 1.00 1.26 C ATOM 389 CG2 VAL A 26 -5.503 3.256 -6.587 1.00 1.09 C ATOM 0 H VAL A 26 -5.897 2.622 -4.023 1.00 0.29 H new ATOM 0 HA VAL A 26 -7.936 3.762 -5.516 1.00 0.37 H new ATOM 0 HB VAL A 26 -6.203 1.310 -6.047 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -6.699 1.658 -8.430 1.00 1.26 H new ATOM 0 HG12 VAL A 26 -8.164 1.263 -7.500 1.00 1.26 H new ATOM 0 HG13 VAL A 26 -7.853 2.942 -7.998 1.00 1.26 H new ATOM 0 HG21 VAL A 26 -4.839 2.889 -7.370 1.00 1.09 H new ATOM 0 HG22 VAL A 26 -5.920 4.218 -6.886 1.00 1.09 H new ATOM 0 HG23 VAL A 26 -4.941 3.377 -5.661 1.00 1.09 H new ATOM 399 N ALA A 27 -8.604 0.574 -4.830 1.00 0.44 N ATOM 400 CA ALA A 27 -9.712 -0.386 -4.747 1.00 0.54 C ATOM 401 C ALA A 27 -10.384 -0.409 -3.371 1.00 0.51 C ATOM 402 O ALA A 27 -11.599 -0.243 -3.270 1.00 0.59 O ATOM 403 CB ALA A 27 -9.231 -1.782 -5.124 1.00 0.61 C ATOM 0 H ALA A 27 -7.689 0.186 -4.602 1.00 0.44 H new ATOM 0 HA ALA A 27 -10.468 -0.054 -5.459 1.00 0.54 H new ATOM 0 HB1 ALA A 27 -10.063 -2.484 -5.058 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -8.845 -1.771 -6.143 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -8.440 -2.091 -4.440 1.00 0.61 H new ATOM 409 N TYR A 28 -9.593 -0.622 -2.319 1.00 0.42 N ATOM 410 CA TYR A 28 -10.118 -0.694 -0.949 1.00 0.43 C ATOM 411 C TYR A 28 -11.111 0.434 -0.654 1.00 0.49 C ATOM 412 O TYR A 28 -12.070 0.242 0.089 1.00 0.72 O ATOM 413 CB TYR A 28 -8.967 -0.637 0.068 1.00 0.37 C ATOM 414 CG TYR A 28 -8.872 -1.812 1.031 1.00 0.44 C ATOM 415 CD1 TYR A 28 -9.410 -3.056 0.726 1.00 0.49 C ATOM 416 CD2 TYR A 28 -8.224 -1.670 2.251 1.00 0.54 C ATOM 417 CE1 TYR A 28 -9.309 -4.117 1.607 1.00 0.59 C ATOM 418 CE2 TYR A 28 -8.114 -2.723 3.136 1.00 0.64 C ATOM 419 CZ TYR A 28 -8.659 -3.945 2.811 1.00 0.63 C ATOM 420 OH TYR A 28 -8.553 -4.999 3.690 1.00 0.77 O ATOM 0 H TYR A 28 -8.583 -0.748 -2.387 1.00 0.42 H new ATOM 0 HA TYR A 28 -10.646 -1.643 -0.859 1.00 0.43 H new ATOM 0 HB2 TYR A 28 -8.027 -0.564 -0.480 1.00 0.37 H new ATOM 0 HB3 TYR A 28 -9.068 0.278 0.651 1.00 0.37 H new ATOM 0 HD1 TYR A 28 -9.917 -3.197 -0.217 1.00 0.49 H new ATOM 0 HD2 TYR A 28 -7.796 -0.714 2.513 1.00 0.54 H new ATOM 0 HE1 TYR A 28 -9.737 -5.076 1.353 1.00 0.59 H new ATOM 0 HE2 TYR A 28 -7.603 -2.589 4.078 1.00 0.64 H new ATOM 0 HH TYR A 28 -8.065 -4.710 4.490 1.00 0.77 H new ATOM 430 N LYS A 29 -10.892 1.609 -1.236 1.00 0.37 N ATOM 431 CA LYS A 29 -11.778 2.742 -0.986 1.00 0.40 C ATOM 432 C LYS A 29 -13.135 2.580 -1.658 1.00 0.48 C ATOM 433 O LYS A 29 -14.171 2.566 -0.991 1.00 0.55 O ATOM 434 CB LYS A 29 -11.138 4.044 -1.467 1.00 0.40 C ATOM 435 CG LYS A 29 -12.082 5.239 -1.416 1.00 0.50 C ATOM 436 CD LYS A 29 -11.380 6.520 -1.824 1.00 1.23 C ATOM 437 CE LYS A 29 -12.282 7.730 -1.649 1.00 1.67 C ATOM 438 NZ LYS A 29 -12.642 7.951 -0.221 1.00 2.30 N ATOM 0 H LYS A 29 -10.121 1.801 -1.875 1.00 0.37 H new ATOM 0 HA LYS A 29 -11.934 2.778 0.092 1.00 0.40 H new ATOM 0 HB2 LYS A 29 -10.262 4.257 -0.855 1.00 0.40 H new ATOM 0 HB3 LYS A 29 -10.787 3.911 -2.490 1.00 0.40 H new ATOM 0 HG2 LYS A 29 -12.931 5.062 -2.076 1.00 0.50 H new ATOM 0 HG3 LYS A 29 -12.480 5.347 -0.407 1.00 0.50 H new ATOM 0 HD2 LYS A 29 -10.478 6.648 -1.226 1.00 1.23 H new ATOM 0 HD3 LYS A 29 -11.065 6.448 -2.865 1.00 1.23 H new ATOM 0 HE2 LYS A 29 -11.781 8.616 -2.039 1.00 1.67 H new ATOM 0 HE3 LYS A 29 -13.190 7.594 -2.236 1.00 1.67 H new ATOM 0 HZ1 LYS A 29 -13.677 7.966 -0.122 1.00 2.30 H new ATOM 0 HZ2 LYS A 29 -12.250 7.182 0.359 1.00 2.30 H new ATOM 0 HZ3 LYS A 29 -12.250 8.860 0.099 1.00 2.30 H new ATOM 452 N GLU A 30 -13.123 2.461 -2.978 1.00 0.51 N ATOM 453 CA GLU A 30 -14.357 2.338 -3.748 1.00 0.60 C ATOM 454 C GLU A 30 -15.107 1.045 -3.439 1.00 0.72 C ATOM 455 O GLU A 30 -16.076 0.707 -4.119 1.00 0.99 O ATOM 456 CB GLU A 30 -14.056 2.420 -5.244 1.00 0.77 C ATOM 457 CG GLU A 30 -13.291 3.672 -5.646 1.00 1.20 C ATOM 458 CD GLU A 30 -14.051 4.947 -5.335 1.00 1.95 C ATOM 459 OE1 GLU A 30 -13.966 5.423 -4.183 1.00 2.35 O ATOM 460 OE2 GLU A 30 -14.734 5.469 -6.241 1.00 2.65 O ATOM 0 H GLU A 30 -12.272 2.447 -3.541 1.00 0.51 H new ATOM 0 HA GLU A 30 -15.001 3.167 -3.457 1.00 0.60 H new ATOM 0 HB2 GLU A 30 -13.480 1.543 -5.538 1.00 0.77 H new ATOM 0 HB3 GLU A 30 -14.995 2.385 -5.797 1.00 0.77 H new ATOM 0 HG2 GLU A 30 -12.332 3.689 -5.127 1.00 1.20 H new ATOM 0 HG3 GLU A 30 -13.075 3.634 -6.714 1.00 1.20 H new ATOM 467 N ARG A 31 -14.663 0.326 -2.415 1.00 0.67 N ATOM 468 CA ARG A 31 -15.309 -0.920 -2.027 1.00 0.85 C ATOM 469 C ARG A 31 -15.759 -0.873 -0.568 1.00 0.86 C ATOM 470 O ARG A 31 -16.949 -0.975 -0.274 1.00 1.62 O ATOM 471 CB ARG A 31 -14.358 -2.098 -2.248 1.00 0.91 C ATOM 472 CG ARG A 31 -14.753 -2.997 -3.409 1.00 1.48 C ATOM 473 CD ARG A 31 -14.652 -2.271 -4.743 1.00 1.55 C ATOM 474 NE ARG A 31 -14.939 -3.157 -5.867 1.00 1.36 N ATOM 475 CZ ARG A 31 -14.830 -2.793 -7.143 1.00 1.60 C ATOM 476 NH1 ARG A 31 -14.448 -1.563 -7.456 1.00 2.36 N ATOM 477 NH2 ARG A 31 -15.106 -3.661 -8.107 1.00 1.64 N ATOM 0 H ARG A 31 -13.861 0.584 -1.840 1.00 0.67 H new ATOM 0 HA ARG A 31 -16.193 -1.054 -2.651 1.00 0.85 H new ATOM 0 HB2 ARG A 31 -13.353 -1.714 -2.424 1.00 0.91 H new ATOM 0 HB3 ARG A 31 -14.316 -2.695 -1.337 1.00 0.91 H new ATOM 0 HG2 ARG A 31 -14.109 -3.876 -3.424 1.00 1.48 H new ATOM 0 HG3 ARG A 31 -15.774 -3.351 -3.264 1.00 1.48 H new ATOM 0 HD2 ARG A 31 -15.349 -1.433 -4.754 1.00 1.55 H new ATOM 0 HD3 ARG A 31 -13.651 -1.855 -4.855 1.00 1.55 H new ATOM 0 HE ARG A 31 -15.240 -4.110 -5.663 1.00 1.36 H new ATOM 0 HH11 ARG A 31 -14.236 -0.891 -6.718 1.00 2.36 H new ATOM 0 HH12 ARG A 31 -14.366 -1.288 -8.435 1.00 2.36 H new ATOM 0 HH21 ARG A 31 -15.402 -4.608 -7.871 1.00 1.64 H new ATOM 0 HH22 ARG A 31 -15.022 -3.381 -9.084 1.00 1.64 H new ATOM 491 N LEU A 32 -14.798 -0.718 0.337 1.00 0.89 N ATOM 492 CA LEU A 32 -15.081 -0.672 1.764 1.00 0.81 C ATOM 493 C LEU A 32 -15.026 0.762 2.286 1.00 0.96 C ATOM 494 O LEU A 32 -15.455 1.698 1.609 1.00 1.34 O ATOM 495 CB LEU A 32 -14.073 -1.536 2.535 1.00 0.66 C ATOM 496 CG LEU A 32 -13.576 -2.808 1.835 1.00 0.62 C ATOM 497 CD1 LEU A 32 -14.709 -3.567 1.191 1.00 0.57 C ATOM 498 CD2 LEU A 32 -12.505 -2.494 0.813 1.00 0.84 C ATOM 0 H LEU A 32 -13.810 -0.622 0.103 1.00 0.89 H new ATOM 0 HA LEU A 32 -16.087 -1.063 1.919 1.00 0.81 H new ATOM 0 HB2 LEU A 32 -13.207 -0.918 2.772 1.00 0.66 H new ATOM 0 HB3 LEU A 32 -14.528 -1.825 3.483 1.00 0.66 H new ATOM 0 HG LEU A 32 -13.138 -3.443 2.605 1.00 0.62 H new ATOM 0 HD11 LEU A 32 -14.318 -4.461 0.705 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -15.433 -3.855 1.953 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -15.195 -2.934 0.449 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -12.175 -3.417 0.336 1.00 0.84 H new ATOM 0 HD22 LEU A 32 -12.909 -1.820 0.058 1.00 0.84 H new ATOM 0 HD23 LEU A 32 -11.658 -2.019 1.308 1.00 0.84 H new ATOM 510 N ASN A 33 -14.493 0.924 3.495 1.00 1.19 N ATOM 511 CA ASN A 33 -14.373 2.234 4.111 1.00 1.38 C ATOM 512 C ASN A 33 -12.909 2.644 4.207 1.00 1.19 C ATOM 513 O ASN A 33 -12.307 2.606 5.280 1.00 1.59 O ATOM 514 CB ASN A 33 -15.018 2.234 5.500 1.00 1.78 C ATOM 515 CG ASN A 33 -14.988 3.602 6.157 1.00 2.08 C ATOM 516 OD1 ASN A 33 -15.872 4.429 5.935 1.00 2.08 O ATOM 517 ND2 ASN A 33 -13.970 3.843 6.976 1.00 3.05 N ATOM 0 H ASN A 33 -14.137 0.157 4.066 1.00 1.19 H new ATOM 0 HA ASN A 33 -14.896 2.958 3.486 1.00 1.38 H new ATOM 0 HB2 ASN A 33 -16.051 1.898 5.417 1.00 1.78 H new ATOM 0 HB3 ASN A 33 -14.500 1.517 6.137 1.00 1.78 H new ATOM 0 HD21 ASN A 33 -13.899 4.743 7.450 1.00 3.05 H new ATOM 0 HD22 ASN A 33 -13.259 3.128 7.131 1.00 3.05 H new ATOM 524 N ILE A 34 -12.341 3.018 3.067 1.00 0.75 N ATOM 525 CA ILE A 34 -10.943 3.441 3.015 1.00 0.62 C ATOM 526 C ILE A 34 -10.845 4.856 2.458 1.00 0.54 C ATOM 527 O ILE A 34 -10.981 5.068 1.258 1.00 0.68 O ATOM 528 CB ILE A 34 -10.079 2.474 2.176 1.00 0.56 C ATOM 529 CG1 ILE A 34 -9.872 1.169 2.939 1.00 0.64 C ATOM 530 CG2 ILE A 34 -8.737 3.100 1.818 1.00 0.64 C ATOM 531 CD1 ILE A 34 -11.071 0.251 2.905 1.00 0.65 C ATOM 0 H ILE A 34 -12.823 3.038 2.168 1.00 0.75 H new ATOM 0 HA ILE A 34 -10.555 3.426 4.033 1.00 0.62 H new ATOM 0 HB ILE A 34 -10.606 2.265 1.245 1.00 0.56 H new ATOM 0 HG12 ILE A 34 -9.012 0.646 2.520 1.00 0.64 H new ATOM 0 HG13 ILE A 34 -9.631 1.399 3.977 1.00 0.64 H new ATOM 0 HG21 ILE A 34 -8.152 2.395 1.228 1.00 0.64 H new ATOM 0 HG22 ILE A 34 -8.902 4.008 1.239 1.00 0.64 H new ATOM 0 HG23 ILE A 34 -8.195 3.346 2.731 1.00 0.64 H new ATOM 0 HD11 ILE A 34 -10.851 -0.656 3.468 1.00 0.65 H new ATOM 0 HD12 ILE A 34 -11.928 0.755 3.351 1.00 0.65 H new ATOM 0 HD13 ILE A 34 -11.300 -0.010 1.872 1.00 0.65 H new ATOM 543 N PRO A 35 -10.610 5.850 3.332 1.00 0.46 N ATOM 544 CA PRO A 35 -10.529 7.251 2.925 1.00 0.49 C ATOM 545 C PRO A 35 -9.151 7.664 2.415 1.00 0.51 C ATOM 546 O PRO A 35 -8.387 8.312 3.132 1.00 0.56 O ATOM 547 CB PRO A 35 -10.843 7.970 4.230 1.00 0.58 C ATOM 548 CG PRO A 35 -10.195 7.112 5.258 1.00 0.62 C ATOM 549 CD PRO A 35 -10.404 5.697 4.788 1.00 0.56 C ATOM 0 HA PRO A 35 -11.195 7.476 2.092 1.00 0.49 H new ATOM 0 HB2 PRO A 35 -10.439 8.982 4.239 1.00 0.58 H new ATOM 0 HB3 PRO A 35 -11.917 8.054 4.395 1.00 0.58 H new ATOM 0 HG2 PRO A 35 -9.134 7.343 5.350 1.00 0.62 H new ATOM 0 HG3 PRO A 35 -10.642 7.270 6.240 1.00 0.62 H new ATOM 0 HD2 PRO A 35 -9.541 5.068 5.008 1.00 0.56 H new ATOM 0 HD3 PRO A 35 -11.266 5.236 5.270 1.00 0.56 H new ATOM 557 N VAL A 36 -8.828 7.284 1.184 1.00 0.54 N ATOM 558 CA VAL A 36 -7.546 7.643 0.590 1.00 0.59 C ATOM 559 C VAL A 36 -7.738 8.119 -0.846 1.00 0.57 C ATOM 560 O VAL A 36 -8.655 7.677 -1.535 1.00 0.58 O ATOM 561 CB VAL A 36 -6.565 6.452 0.627 1.00 0.61 C ATOM 562 CG1 VAL A 36 -5.244 6.810 -0.043 1.00 1.14 C ATOM 563 CG2 VAL A 36 -6.336 6.008 2.064 1.00 0.88 C ATOM 0 H VAL A 36 -9.434 6.729 0.580 1.00 0.54 H new ATOM 0 HA VAL A 36 -7.120 8.456 1.178 1.00 0.59 H new ATOM 0 HB VAL A 36 -7.007 5.625 0.071 1.00 0.61 H new ATOM 0 HG11 VAL A 36 -4.572 5.953 -0.003 1.00 1.14 H new ATOM 0 HG12 VAL A 36 -5.425 7.080 -1.083 1.00 1.14 H new ATOM 0 HG13 VAL A 36 -4.789 7.653 0.477 1.00 1.14 H new ATOM 0 HG21 VAL A 36 -5.642 5.167 2.079 1.00 0.88 H new ATOM 0 HG22 VAL A 36 -5.917 6.835 2.638 1.00 0.88 H new ATOM 0 HG23 VAL A 36 -7.285 5.704 2.506 1.00 0.88 H new ATOM 573 N ILE A 37 -6.870 9.017 -1.295 1.00 0.60 N ATOM 574 CA ILE A 37 -6.972 9.559 -2.645 1.00 0.64 C ATOM 575 C ILE A 37 -6.044 8.820 -3.605 1.00 0.59 C ATOM 576 O ILE A 37 -4.858 8.636 -3.326 1.00 0.57 O ATOM 577 CB ILE A 37 -6.640 11.064 -2.672 1.00 0.77 C ATOM 578 CG1 ILE A 37 -7.468 11.822 -1.626 1.00 0.87 C ATOM 579 CG2 ILE A 37 -6.874 11.639 -4.062 1.00 0.85 C ATOM 580 CD1 ILE A 37 -8.962 11.768 -1.868 1.00 0.90 C ATOM 0 H ILE A 37 -6.091 9.384 -0.748 1.00 0.60 H new ATOM 0 HA ILE A 37 -8.004 9.420 -2.967 1.00 0.64 H new ATOM 0 HB ILE A 37 -5.586 11.185 -2.424 1.00 0.77 H new ATOM 0 HG12 ILE A 37 -7.255 11.410 -0.640 1.00 0.87 H new ATOM 0 HG13 ILE A 37 -7.150 12.864 -1.611 1.00 0.87 H new ATOM 0 HG21 ILE A 37 -6.634 12.702 -4.061 1.00 0.85 H new ATOM 0 HG22 ILE A 37 -6.237 11.124 -4.781 1.00 0.85 H new ATOM 0 HG23 ILE A 37 -7.919 11.503 -4.341 1.00 0.85 H new ATOM 0 HD11 ILE A 37 -9.478 12.327 -1.087 1.00 0.90 H new ATOM 0 HD12 ILE A 37 -9.189 12.208 -2.839 1.00 0.90 H new ATOM 0 HD13 ILE A 37 -9.296 10.730 -1.853 1.00 0.90 H new ATOM 592 N ALA A 38 -6.597 8.396 -4.736 1.00 0.59 N ATOM 593 CA ALA A 38 -5.834 7.665 -5.744 1.00 0.61 C ATOM 594 C ALA A 38 -4.869 8.573 -6.509 1.00 0.57 C ATOM 595 O ALA A 38 -3.721 8.203 -6.743 1.00 0.64 O ATOM 596 CB ALA A 38 -6.779 6.971 -6.715 1.00 0.67 C ATOM 0 H ALA A 38 -7.576 8.546 -4.980 1.00 0.59 H new ATOM 0 HA ALA A 38 -5.235 6.919 -5.221 1.00 0.61 H new ATOM 0 HB1 ALA A 38 -6.199 6.429 -7.462 1.00 0.67 H new ATOM 0 HB2 ALA A 38 -7.412 6.271 -6.169 1.00 0.67 H new ATOM 0 HB3 ALA A 38 -7.403 7.715 -7.210 1.00 0.67 H new ATOM 602 N GLU A 39 -5.343 9.750 -6.906 1.00 0.51 N ATOM 603 CA GLU A 39 -4.517 10.705 -7.654 1.00 0.57 C ATOM 604 C GLU A 39 -3.164 10.918 -6.976 1.00 0.47 C ATOM 605 O GLU A 39 -2.188 11.298 -7.622 1.00 0.50 O ATOM 606 CB GLU A 39 -5.225 12.053 -7.790 1.00 0.76 C ATOM 607 CG GLU A 39 -6.741 11.967 -7.720 1.00 0.57 C ATOM 608 CD GLU A 39 -7.325 11.067 -8.791 1.00 0.94 C ATOM 609 OE1 GLU A 39 -7.432 11.518 -9.952 1.00 1.28 O ATOM 610 OE2 GLU A 39 -7.677 9.913 -8.470 1.00 1.23 O ATOM 0 H GLU A 39 -6.294 10.070 -6.724 1.00 0.51 H new ATOM 0 HA GLU A 39 -4.356 10.280 -8.645 1.00 0.57 H new ATOM 0 HB2 GLU A 39 -4.873 12.718 -7.001 1.00 0.76 H new ATOM 0 HB3 GLU A 39 -4.941 12.506 -8.740 1.00 0.76 H new ATOM 0 HG2 GLU A 39 -7.035 11.595 -6.738 1.00 0.57 H new ATOM 0 HG3 GLU A 39 -7.163 12.967 -7.821 1.00 0.57 H new ATOM 617 N GLN A 40 -3.120 10.671 -5.673 1.00 0.43 N ATOM 618 CA GLN A 40 -1.887 10.833 -4.905 1.00 0.45 C ATOM 619 C GLN A 40 -0.951 9.672 -5.162 1.00 0.37 C ATOM 620 O GLN A 40 0.258 9.845 -5.306 1.00 0.47 O ATOM 621 CB GLN A 40 -2.178 10.878 -3.415 1.00 0.55 C ATOM 622 CG GLN A 40 -3.295 11.831 -3.036 1.00 0.49 C ATOM 623 CD GLN A 40 -3.521 11.897 -1.539 1.00 0.48 C ATOM 624 OE1 GLN A 40 -3.242 10.943 -0.813 1.00 0.75 O ATOM 625 NE2 GLN A 40 -4.040 13.025 -1.067 1.00 0.75 N ATOM 0 H GLN A 40 -3.921 10.358 -5.124 1.00 0.43 H new ATOM 0 HA GLN A 40 -1.427 11.770 -5.220 1.00 0.45 H new ATOM 0 HB2 GLN A 40 -2.438 9.876 -3.075 1.00 0.55 H new ATOM 0 HB3 GLN A 40 -1.270 11.169 -2.886 1.00 0.55 H new ATOM 0 HG2 GLN A 40 -3.059 12.828 -3.409 1.00 0.49 H new ATOM 0 HG3 GLN A 40 -4.217 11.517 -3.526 1.00 0.49 H new ATOM 0 HE21 GLN A 40 -4.257 13.792 -1.703 1.00 0.75 H new ATOM 0 HE22 GLN A 40 -4.222 13.124 -0.068 1.00 0.75 H new ATOM 634 N VAL A 41 -1.525 8.482 -5.195 1.00 0.31 N ATOM 635 CA VAL A 41 -0.755 7.280 -5.419 1.00 0.31 C ATOM 636 C VAL A 41 -0.450 7.108 -6.902 1.00 0.33 C ATOM 637 O VAL A 41 0.439 6.346 -7.282 1.00 0.43 O ATOM 638 CB VAL A 41 -1.499 6.036 -4.897 1.00 0.31 C ATOM 639 CG1 VAL A 41 -2.303 6.374 -3.650 1.00 0.31 C ATOM 640 CG2 VAL A 41 -2.396 5.440 -5.971 1.00 0.35 C ATOM 0 H VAL A 41 -2.525 8.326 -5.069 1.00 0.31 H new ATOM 0 HA VAL A 41 0.181 7.381 -4.869 1.00 0.31 H new ATOM 0 HB VAL A 41 -0.753 5.287 -4.632 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -2.821 5.482 -3.298 1.00 0.31 H new ATOM 0 HG12 VAL A 41 -1.632 6.735 -2.871 1.00 0.31 H new ATOM 0 HG13 VAL A 41 -3.034 7.148 -3.887 1.00 0.31 H new ATOM 0 HG21 VAL A 41 -2.908 4.564 -5.573 1.00 0.35 H new ATOM 0 HG22 VAL A 41 -3.133 6.181 -6.282 1.00 0.35 H new ATOM 0 HG23 VAL A 41 -1.791 5.148 -6.829 1.00 0.35 H new ATOM 650 N ALA A 42 -1.202 7.821 -7.733 1.00 0.34 N ATOM 651 CA ALA A 42 -1.038 7.729 -9.174 1.00 0.44 C ATOM 652 C ALA A 42 0.047 8.667 -9.700 1.00 0.57 C ATOM 653 O ALA A 42 0.756 8.327 -10.648 1.00 0.77 O ATOM 654 CB ALA A 42 -2.363 7.995 -9.871 1.00 0.42 C ATOM 0 H ALA A 42 -1.930 8.468 -7.431 1.00 0.34 H new ATOM 0 HA ALA A 42 -0.712 6.714 -9.399 1.00 0.44 H new ATOM 0 HB1 ALA A 42 -2.227 7.923 -10.950 1.00 0.42 H new ATOM 0 HB2 ALA A 42 -3.098 7.258 -9.548 1.00 0.42 H new ATOM 0 HB3 ALA A 42 -2.714 8.995 -9.615 1.00 0.42 H new ATOM 660 N ARG A 43 0.179 9.843 -9.089 1.00 0.49 N ATOM 661 CA ARG A 43 1.191 10.809 -9.514 1.00 0.61 C ATOM 662 C ARG A 43 2.598 10.239 -9.337 1.00 0.69 C ATOM 663 O ARG A 43 3.587 10.862 -9.725 1.00 0.81 O ATOM 664 CB ARG A 43 1.041 12.131 -8.750 1.00 0.60 C ATOM 665 CG ARG A 43 0.942 11.974 -7.241 1.00 0.85 C ATOM 666 CD ARG A 43 2.307 11.767 -6.603 1.00 0.68 C ATOM 667 NE ARG A 43 3.247 12.824 -6.971 1.00 1.29 N ATOM 668 CZ ARG A 43 4.560 12.741 -6.781 1.00 1.91 C ATOM 669 NH1 ARG A 43 5.088 11.657 -6.226 1.00 2.11 N ATOM 670 NH2 ARG A 43 5.349 13.742 -7.146 1.00 2.62 N ATOM 0 H ARG A 43 -0.397 10.149 -8.304 1.00 0.49 H new ATOM 0 HA ARG A 43 1.038 11.011 -10.574 1.00 0.61 H new ATOM 0 HB2 ARG A 43 1.893 12.770 -8.982 1.00 0.60 H new ATOM 0 HB3 ARG A 43 0.150 12.646 -9.109 1.00 0.60 H new ATOM 0 HG2 ARG A 43 0.472 12.860 -6.814 1.00 0.85 H new ATOM 0 HG3 ARG A 43 0.299 11.126 -7.005 1.00 0.85 H new ATOM 0 HD2 ARG A 43 2.200 11.738 -5.519 1.00 0.68 H new ATOM 0 HD3 ARG A 43 2.708 10.801 -6.910 1.00 0.68 H new ATOM 0 HE ARG A 43 2.875 13.673 -7.397 1.00 1.29 H new ATOM 0 HH11 ARG A 43 4.486 10.884 -5.944 1.00 2.11 H new ATOM 0 HH12 ARG A 43 6.096 11.597 -6.082 1.00 2.11 H new ATOM 0 HH21 ARG A 43 4.949 14.577 -7.573 1.00 2.62 H new ATOM 0 HH22 ARG A 43 6.356 13.677 -7.000 1.00 2.62 H new ATOM 684 N GLU A 44 2.672 9.051 -8.745 1.00 0.79 N ATOM 685 CA GLU A 44 3.949 8.386 -8.514 1.00 1.09 C ATOM 686 C GLU A 44 3.999 7.034 -9.226 1.00 1.38 C ATOM 687 O GLU A 44 4.739 6.862 -10.195 1.00 2.24 O ATOM 688 CB GLU A 44 4.193 8.209 -7.013 1.00 1.18 C ATOM 689 CG GLU A 44 2.918 8.129 -6.195 1.00 1.05 C ATOM 690 CD GLU A 44 3.162 7.661 -4.775 1.00 1.37 C ATOM 691 OE1 GLU A 44 3.225 6.432 -4.556 1.00 1.65 O ATOM 692 OE2 GLU A 44 3.292 8.523 -3.881 1.00 1.47 O ATOM 0 H GLU A 44 1.860 8.528 -8.416 1.00 0.79 H new ATOM 0 HA GLU A 44 4.739 9.014 -8.926 1.00 1.09 H new ATOM 0 HB2 GLU A 44 4.775 7.301 -6.853 1.00 1.18 H new ATOM 0 HB3 GLU A 44 4.795 9.042 -6.651 1.00 1.18 H new ATOM 0 HG2 GLU A 44 2.443 9.110 -6.173 1.00 1.05 H new ATOM 0 HG3 GLU A 44 2.221 7.448 -6.683 1.00 1.05 H new ATOM 699 N GLN A 45 3.205 6.084 -8.740 1.00 0.72 N ATOM 700 CA GLN A 45 3.157 4.746 -9.331 1.00 0.93 C ATOM 701 C GLN A 45 4.563 4.158 -9.434 1.00 0.74 C ATOM 702 O GLN A 45 5.158 4.131 -10.513 1.00 0.80 O ATOM 703 CB GLN A 45 2.499 4.789 -10.712 1.00 1.18 C ATOM 704 CG GLN A 45 1.004 5.060 -10.665 1.00 1.69 C ATOM 705 CD GLN A 45 0.374 5.097 -12.043 1.00 1.85 C ATOM 706 OE1 GLN A 45 0.842 4.437 -12.971 1.00 2.15 O ATOM 707 NE2 GLN A 45 -0.696 5.871 -12.183 1.00 2.52 N ATOM 0 H GLN A 45 2.586 6.214 -7.940 1.00 0.72 H new ATOM 0 HA GLN A 45 2.557 4.107 -8.682 1.00 0.93 H new ATOM 0 HB2 GLN A 45 2.981 5.561 -11.311 1.00 1.18 H new ATOM 0 HB3 GLN A 45 2.672 3.839 -11.218 1.00 1.18 H new ATOM 0 HG2 GLN A 45 0.517 4.289 -10.068 1.00 1.69 H new ATOM 0 HG3 GLN A 45 0.827 6.011 -10.163 1.00 1.69 H new ATOM 0 HE21 GLN A 45 -1.050 6.401 -11.386 1.00 2.52 H new ATOM 0 HE22 GLN A 45 -1.164 5.936 -13.087 1.00 2.52 H new ATOM 716 N PRO A 46 5.115 3.687 -8.303 1.00 0.61 N ATOM 717 CA PRO A 46 6.467 3.112 -8.247 1.00 0.48 C ATOM 718 C PRO A 46 6.633 1.868 -9.117 1.00 0.45 C ATOM 719 O PRO A 46 5.950 0.861 -8.925 1.00 0.61 O ATOM 720 CB PRO A 46 6.645 2.759 -6.764 1.00 0.62 C ATOM 721 CG PRO A 46 5.632 3.587 -6.049 1.00 0.65 C ATOM 722 CD PRO A 46 4.466 3.682 -6.982 1.00 0.75 C ATOM 0 HA PRO A 46 7.210 3.811 -8.630 1.00 0.48 H new ATOM 0 HB2 PRO A 46 6.481 1.696 -6.588 1.00 0.62 H new ATOM 0 HB3 PRO A 46 7.654 2.987 -6.422 1.00 0.62 H new ATOM 0 HG2 PRO A 46 5.343 3.125 -5.105 1.00 0.65 H new ATOM 0 HG3 PRO A 46 6.028 4.575 -5.813 1.00 0.65 H new ATOM 0 HD2 PRO A 46 3.785 2.839 -6.868 1.00 0.75 H new ATOM 0 HD3 PRO A 46 3.883 4.588 -6.813 1.00 0.75 H new ATOM 730 N GLU A 47 7.551 1.955 -10.076 1.00 0.45 N ATOM 731 CA GLU A 47 7.833 0.843 -10.982 1.00 0.52 C ATOM 732 C GLU A 47 8.658 -0.238 -10.288 1.00 0.48 C ATOM 733 O GLU A 47 8.368 -1.427 -10.412 1.00 0.49 O ATOM 734 CB GLU A 47 8.574 1.340 -12.225 1.00 0.65 C ATOM 735 CG GLU A 47 9.110 0.215 -13.096 1.00 0.87 C ATOM 736 CD GLU A 47 8.007 -0.607 -13.734 1.00 1.35 C ATOM 737 OE1 GLU A 47 7.561 -0.243 -14.842 1.00 1.78 O ATOM 738 OE2 GLU A 47 7.591 -1.615 -13.126 1.00 2.03 O ATOM 0 H GLU A 47 8.115 2.788 -10.247 1.00 0.45 H new ATOM 0 HA GLU A 47 6.879 0.410 -11.283 1.00 0.52 H new ATOM 0 HB2 GLU A 47 7.901 1.959 -12.817 1.00 0.65 H new ATOM 0 HB3 GLU A 47 9.403 1.977 -11.915 1.00 0.65 H new ATOM 0 HG2 GLU A 47 9.742 0.636 -13.878 1.00 0.87 H new ATOM 0 HG3 GLU A 47 9.741 -0.437 -12.492 1.00 0.87 H new ATOM 745 N ASN A 48 9.697 0.185 -9.575 1.00 0.51 N ATOM 746 CA ASN A 48 10.569 -0.741 -8.854 1.00 0.51 C ATOM 747 C ASN A 48 9.775 -1.639 -7.907 1.00 0.37 C ATOM 748 O ASN A 48 10.295 -2.636 -7.404 1.00 0.55 O ATOM 749 CB ASN A 48 11.623 0.038 -8.061 1.00 0.64 C ATOM 750 CG ASN A 48 12.556 0.829 -8.956 1.00 1.34 C ATOM 751 OD1 ASN A 48 12.176 1.257 -10.046 1.00 2.17 O ATOM 752 ND2 ASN A 48 13.786 1.029 -8.497 1.00 1.77 N ATOM 0 H ASN A 48 9.958 1.166 -9.480 1.00 0.51 H new ATOM 0 HA ASN A 48 11.059 -1.376 -9.592 1.00 0.51 H new ATOM 0 HB2 ASN A 48 11.124 0.718 -7.370 1.00 0.64 H new ATOM 0 HB3 ASN A 48 12.206 -0.658 -7.458 1.00 0.64 H new ATOM 0 HD21 ASN A 48 14.459 1.556 -9.054 1.00 1.77 H new ATOM 0 HD22 ASN A 48 14.058 0.656 -7.587 1.00 1.77 H new ATOM 759 N LEU A 49 8.511 -1.292 -7.683 1.00 0.29 N ATOM 760 CA LEU A 49 7.649 -2.063 -6.794 1.00 0.21 C ATOM 761 C LEU A 49 6.270 -2.259 -7.412 1.00 0.23 C ATOM 762 O LEU A 49 5.284 -2.467 -6.706 1.00 0.28 O ATOM 763 CB LEU A 49 7.521 -1.376 -5.430 1.00 0.34 C ATOM 764 CG LEU A 49 8.543 -1.807 -4.372 1.00 0.34 C ATOM 765 CD1 LEU A 49 8.578 -3.323 -4.242 1.00 0.65 C ATOM 766 CD2 LEU A 49 9.928 -1.270 -4.705 1.00 0.66 C ATOM 0 H LEU A 49 8.061 -0.480 -8.106 1.00 0.29 H new ATOM 0 HA LEU A 49 8.108 -3.041 -6.650 1.00 0.21 H new ATOM 0 HB2 LEU A 49 7.608 -0.299 -5.576 1.00 0.34 H new ATOM 0 HB3 LEU A 49 6.521 -1.565 -5.041 1.00 0.34 H new ATOM 0 HG LEU A 49 8.234 -1.386 -3.415 1.00 0.34 H new ATOM 0 HD11 LEU A 49 9.310 -3.607 -3.486 1.00 0.65 H new ATOM 0 HD12 LEU A 49 7.593 -3.686 -3.948 1.00 0.65 H new ATOM 0 HD13 LEU A 49 8.856 -3.764 -5.199 1.00 0.65 H new ATOM 0 HD21 LEU A 49 10.636 -1.589 -3.940 1.00 0.66 H new ATOM 0 HD22 LEU A 49 10.244 -1.655 -5.675 1.00 0.66 H new ATOM 0 HD23 LEU A 49 9.897 -0.181 -4.739 1.00 0.66 H new ATOM 778 N ARG A 50 6.215 -2.199 -8.736 1.00 0.27 N ATOM 779 CA ARG A 50 4.965 -2.371 -9.463 1.00 0.33 C ATOM 780 C ARG A 50 4.387 -3.752 -9.193 1.00 0.33 C ATOM 781 O ARG A 50 3.175 -3.956 -9.256 1.00 0.43 O ATOM 782 CB ARG A 50 5.199 -2.181 -10.962 1.00 0.41 C ATOM 783 CG ARG A 50 3.933 -2.282 -11.802 1.00 1.10 C ATOM 784 CD ARG A 50 2.934 -1.192 -11.447 1.00 1.23 C ATOM 785 NE ARG A 50 1.758 -1.224 -12.313 1.00 1.88 N ATOM 786 CZ ARG A 50 0.607 -0.629 -12.017 1.00 2.37 C ATOM 787 NH1 ARG A 50 0.473 0.031 -10.873 1.00 2.41 N ATOM 788 NH2 ARG A 50 -0.414 -0.698 -12.860 1.00 3.19 N ATOM 0 H ARG A 50 7.027 -2.032 -9.331 1.00 0.27 H new ATOM 0 HA ARG A 50 4.253 -1.620 -9.120 1.00 0.33 H new ATOM 0 HB2 ARG A 50 5.656 -1.205 -11.128 1.00 0.41 H new ATOM 0 HB3 ARG A 50 5.912 -2.930 -11.306 1.00 0.41 H new ATOM 0 HG2 ARG A 50 4.191 -2.209 -12.859 1.00 1.10 H new ATOM 0 HG3 ARG A 50 3.474 -3.259 -11.652 1.00 1.10 H new ATOM 0 HD2 ARG A 50 2.623 -1.309 -10.409 1.00 1.23 H new ATOM 0 HD3 ARG A 50 3.417 -0.218 -11.527 1.00 1.23 H new ATOM 0 HE ARG A 50 1.824 -1.732 -13.195 1.00 1.88 H new ATOM 0 HH11 ARG A 50 1.254 0.082 -10.219 1.00 2.41 H new ATOM 0 HH12 ARG A 50 -0.411 0.487 -10.648 1.00 2.41 H new ATOM 0 HH21 ARG A 50 -0.317 -1.208 -13.738 1.00 3.19 H new ATOM 0 HH22 ARG A 50 -1.296 -0.241 -12.631 1.00 3.19 H new ATOM 802 N THR A 51 5.271 -4.694 -8.886 1.00 0.27 N ATOM 803 CA THR A 51 4.861 -6.060 -8.599 1.00 0.28 C ATOM 804 C THR A 51 4.179 -6.145 -7.239 1.00 0.25 C ATOM 805 O THR A 51 3.135 -6.780 -7.096 1.00 0.30 O ATOM 806 CB THR A 51 6.063 -7.021 -8.616 1.00 0.29 C ATOM 807 OG1 THR A 51 6.892 -6.750 -9.751 1.00 0.35 O ATOM 808 CG2 THR A 51 5.597 -8.466 -8.662 1.00 0.36 C ATOM 0 H THR A 51 6.277 -4.535 -8.830 1.00 0.27 H new ATOM 0 HA THR A 51 4.159 -6.355 -9.379 1.00 0.28 H new ATOM 0 HB THR A 51 6.636 -6.866 -7.702 1.00 0.29 H new ATOM 0 HG1 THR A 51 7.655 -7.365 -9.753 1.00 0.35 H new ATOM 0 HG21 THR A 51 6.463 -9.127 -8.673 1.00 0.36 H new ATOM 0 HG22 THR A 51 4.988 -8.680 -7.783 1.00 0.36 H new ATOM 0 HG23 THR A 51 5.004 -8.629 -9.562 1.00 0.36 H new ATOM 816 N TYR A 52 4.775 -5.491 -6.244 1.00 0.20 N ATOM 817 CA TYR A 52 4.239 -5.483 -4.895 1.00 0.19 C ATOM 818 C TYR A 52 2.817 -4.926 -4.880 1.00 0.18 C ATOM 819 O TYR A 52 1.904 -5.545 -4.336 1.00 0.22 O ATOM 820 CB TYR A 52 5.151 -4.648 -3.993 1.00 0.21 C ATOM 821 CG TYR A 52 4.798 -4.697 -2.525 1.00 0.27 C ATOM 822 CD1 TYR A 52 4.249 -5.844 -1.971 1.00 0.41 C ATOM 823 CD2 TYR A 52 5.005 -3.603 -1.699 1.00 0.27 C ATOM 824 CE1 TYR A 52 3.917 -5.901 -0.634 1.00 0.50 C ATOM 825 CE2 TYR A 52 4.679 -3.651 -0.363 1.00 0.35 C ATOM 826 CZ TYR A 52 4.162 -4.774 0.177 1.00 0.46 C ATOM 827 OH TYR A 52 3.806 -4.852 1.504 1.00 0.56 O ATOM 0 H TYR A 52 5.637 -4.957 -6.354 1.00 0.20 H new ATOM 0 HA TYR A 52 4.200 -6.506 -4.522 1.00 0.19 H new ATOM 0 HB2 TYR A 52 6.178 -4.992 -4.118 1.00 0.21 H new ATOM 0 HB3 TYR A 52 5.119 -3.611 -4.327 1.00 0.21 H new ATOM 0 HD1 TYR A 52 4.079 -6.707 -2.598 1.00 0.41 H new ATOM 0 HD2 TYR A 52 5.429 -2.699 -2.111 1.00 0.27 H new ATOM 0 HE1 TYR A 52 3.477 -6.794 -0.215 1.00 0.50 H new ATOM 0 HE2 TYR A 52 4.838 -2.782 0.259 1.00 0.35 H new ATOM 0 HH TYR A 52 2.878 -4.557 1.611 1.00 0.56 H new ATOM 837 N PHE A 53 2.648 -3.749 -5.474 1.00 0.17 N ATOM 838 CA PHE A 53 1.344 -3.099 -5.555 1.00 0.18 C ATOM 839 C PHE A 53 0.279 -4.070 -6.052 1.00 0.16 C ATOM 840 O PHE A 53 -0.883 -3.975 -5.664 1.00 0.19 O ATOM 841 CB PHE A 53 1.463 -1.857 -6.456 1.00 0.20 C ATOM 842 CG PHE A 53 0.230 -1.461 -7.230 1.00 0.24 C ATOM 843 CD1 PHE A 53 -0.221 -2.222 -8.298 1.00 0.32 C ATOM 844 CD2 PHE A 53 -0.459 -0.305 -6.900 1.00 0.29 C ATOM 845 CE1 PHE A 53 -1.340 -1.843 -9.013 1.00 0.37 C ATOM 846 CE2 PHE A 53 -1.577 0.081 -7.615 1.00 0.36 C ATOM 847 CZ PHE A 53 -2.019 -0.689 -8.672 1.00 0.37 C ATOM 0 H PHE A 53 3.405 -3.222 -5.910 1.00 0.17 H new ATOM 0 HA PHE A 53 1.028 -2.780 -4.562 1.00 0.18 H new ATOM 0 HB2 PHE A 53 1.760 -1.013 -5.834 1.00 0.20 H new ATOM 0 HB3 PHE A 53 2.271 -2.029 -7.167 1.00 0.20 H new ATOM 0 HD1 PHE A 53 0.309 -3.122 -8.574 1.00 0.32 H new ATOM 0 HD2 PHE A 53 -0.118 0.302 -6.074 1.00 0.29 H new ATOM 0 HE1 PHE A 53 -1.684 -2.448 -9.838 1.00 0.37 H new ATOM 0 HE2 PHE A 53 -2.104 0.984 -7.347 1.00 0.36 H new ATOM 0 HZ PHE A 53 -2.893 -0.390 -9.231 1.00 0.37 H new ATOM 857 N MET A 54 0.687 -5.006 -6.903 1.00 0.18 N ATOM 858 CA MET A 54 -0.228 -6.007 -7.442 1.00 0.22 C ATOM 859 C MET A 54 -0.458 -7.120 -6.428 1.00 0.25 C ATOM 860 O MET A 54 -1.576 -7.606 -6.270 1.00 0.27 O ATOM 861 CB MET A 54 0.327 -6.589 -8.740 1.00 0.27 C ATOM 862 CG MET A 54 0.516 -5.551 -9.831 1.00 1.07 C ATOM 863 SD MET A 54 -1.047 -4.998 -10.539 1.00 1.58 S ATOM 864 CE MET A 54 -0.466 -3.867 -11.799 1.00 1.82 C ATOM 0 H MET A 54 1.648 -5.093 -7.235 1.00 0.18 H new ATOM 0 HA MET A 54 -1.182 -5.523 -7.652 1.00 0.22 H new ATOM 0 HB2 MET A 54 1.284 -7.069 -8.535 1.00 0.27 H new ATOM 0 HB3 MET A 54 -0.348 -7.365 -9.100 1.00 0.27 H new ATOM 0 HG2 MET A 54 1.050 -4.693 -9.422 1.00 1.07 H new ATOM 0 HG3 MET A 54 1.141 -5.969 -10.620 1.00 1.07 H new ATOM 0 HE1 MET A 54 -1.189 -3.062 -11.927 1.00 1.82 H new ATOM 0 HE2 MET A 54 0.494 -3.448 -11.497 1.00 1.82 H new ATOM 0 HE3 MET A 54 -0.348 -4.402 -12.742 1.00 1.82 H new ATOM 874 N GLU A 55 0.610 -7.522 -5.748 1.00 0.26 N ATOM 875 CA GLU A 55 0.521 -8.569 -4.736 1.00 0.31 C ATOM 876 C GLU A 55 -0.492 -8.167 -3.680 1.00 0.30 C ATOM 877 O GLU A 55 -1.375 -8.944 -3.317 1.00 0.37 O ATOM 878 CB GLU A 55 1.887 -8.812 -4.092 1.00 0.33 C ATOM 879 CG GLU A 55 2.957 -9.247 -5.078 1.00 0.41 C ATOM 880 CD GLU A 55 4.272 -9.584 -4.402 1.00 1.06 C ATOM 881 OE1 GLU A 55 5.061 -8.652 -4.139 1.00 1.84 O ATOM 882 OE2 GLU A 55 4.513 -10.780 -4.134 1.00 0.92 O ATOM 0 H GLU A 55 1.547 -7.140 -5.879 1.00 0.26 H new ATOM 0 HA GLU A 55 0.199 -9.495 -5.212 1.00 0.31 H new ATOM 0 HB2 GLU A 55 2.213 -7.898 -3.596 1.00 0.33 H new ATOM 0 HB3 GLU A 55 1.785 -9.575 -3.320 1.00 0.33 H new ATOM 0 HG2 GLU A 55 2.604 -10.117 -5.631 1.00 0.41 H new ATOM 0 HG3 GLU A 55 3.120 -8.452 -5.805 1.00 0.41 H new ATOM 889 N ARG A 56 -0.351 -6.945 -3.186 1.00 0.29 N ATOM 890 CA ARG A 56 -1.268 -6.419 -2.198 1.00 0.32 C ATOM 891 C ARG A 56 -2.613 -6.146 -2.858 1.00 0.28 C ATOM 892 O ARG A 56 -3.663 -6.374 -2.261 1.00 0.29 O ATOM 893 CB ARG A 56 -0.702 -5.142 -1.572 1.00 0.40 C ATOM 894 CG ARG A 56 -1.592 -4.534 -0.500 1.00 0.74 C ATOM 895 CD ARG A 56 -1.802 -5.487 0.668 1.00 0.84 C ATOM 896 NE ARG A 56 -2.694 -4.927 1.678 1.00 1.54 N ATOM 897 CZ ARG A 56 -2.820 -5.419 2.906 1.00 1.82 C ATOM 898 NH1 ARG A 56 -2.115 -6.481 3.275 1.00 1.80 N ATOM 899 NH2 ARG A 56 -3.652 -4.850 3.769 1.00 2.57 N ATOM 0 H ARG A 56 0.393 -6.302 -3.457 1.00 0.29 H new ATOM 0 HA ARG A 56 -1.403 -7.151 -1.402 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.273 -5.363 -1.138 1.00 0.40 H new ATOM 0 HB3 ARG A 56 -0.541 -4.404 -2.358 1.00 0.40 H new ATOM 0 HG2 ARG A 56 -1.144 -3.608 -0.138 1.00 0.74 H new ATOM 0 HG3 ARG A 56 -2.557 -4.273 -0.934 1.00 0.74 H new ATOM 0 HD2 ARG A 56 -2.216 -6.426 0.300 1.00 0.84 H new ATOM 0 HD3 ARG A 56 -0.839 -5.720 1.124 1.00 0.84 H new ATOM 0 HE ARG A 56 -3.253 -4.111 1.427 1.00 1.54 H new ATOM 0 HH11 ARG A 56 -1.474 -6.922 2.615 1.00 1.80 H new ATOM 0 HH12 ARG A 56 -2.214 -6.856 4.218 1.00 1.80 H new ATOM 0 HH21 ARG A 56 -4.196 -4.034 3.490 1.00 2.57 H new ATOM 0 HH22 ARG A 56 -3.747 -5.229 4.711 1.00 2.57 H new ATOM 913 N LEU A 57 -2.567 -5.665 -4.103 1.00 0.29 N ATOM 914 CA LEU A 57 -3.780 -5.372 -4.865 1.00 0.34 C ATOM 915 C LEU A 57 -4.756 -6.542 -4.818 1.00 0.32 C ATOM 916 O LEU A 57 -5.909 -6.389 -4.416 1.00 0.40 O ATOM 917 CB LEU A 57 -3.431 -5.052 -6.321 1.00 0.45 C ATOM 918 CG LEU A 57 -4.620 -4.982 -7.278 1.00 0.58 C ATOM 919 CD1 LEU A 57 -5.511 -3.796 -6.941 1.00 1.09 C ATOM 920 CD2 LEU A 57 -4.139 -4.901 -8.719 1.00 1.03 C ATOM 0 H LEU A 57 -1.700 -5.470 -4.604 1.00 0.29 H new ATOM 0 HA LEU A 57 -4.257 -4.504 -4.409 1.00 0.34 H new ATOM 0 HB2 LEU A 57 -2.906 -4.097 -6.350 1.00 0.45 H new ATOM 0 HB3 LEU A 57 -2.737 -5.809 -6.686 1.00 0.45 H new ATOM 0 HG LEU A 57 -5.208 -5.892 -7.163 1.00 0.58 H new ATOM 0 HD11 LEU A 57 -6.352 -3.764 -7.634 1.00 1.09 H new ATOM 0 HD12 LEU A 57 -5.884 -3.899 -5.922 1.00 1.09 H new ATOM 0 HD13 LEU A 57 -4.936 -2.874 -7.025 1.00 1.09 H new ATOM 0 HD21 LEU A 57 -4.999 -4.852 -9.387 1.00 1.03 H new ATOM 0 HD22 LEU A 57 -3.527 -4.008 -8.849 1.00 1.03 H new ATOM 0 HD23 LEU A 57 -3.546 -5.785 -8.955 1.00 1.03 H new ATOM 932 N ARG A 58 -4.280 -7.707 -5.231 1.00 0.33 N ATOM 933 CA ARG A 58 -5.098 -8.913 -5.258 1.00 0.40 C ATOM 934 C ARG A 58 -5.457 -9.381 -3.856 1.00 0.39 C ATOM 935 O ARG A 58 -6.560 -9.871 -3.618 1.00 0.47 O ATOM 936 CB ARG A 58 -4.353 -10.026 -5.989 1.00 0.49 C ATOM 937 CG ARG A 58 -2.983 -10.338 -5.410 1.00 0.55 C ATOM 938 CD ARG A 58 -2.345 -11.530 -6.103 1.00 0.67 C ATOM 939 NE ARG A 58 -0.955 -11.722 -5.699 1.00 1.20 N ATOM 940 CZ ARG A 58 -0.216 -12.764 -6.070 1.00 1.40 C ATOM 941 NH1 ARG A 58 -0.738 -13.709 -6.842 1.00 0.89 N ATOM 942 NH2 ARG A 58 1.045 -12.860 -5.667 1.00 2.29 N ATOM 0 H ARG A 58 -3.323 -7.844 -5.555 1.00 0.33 H new ATOM 0 HA ARG A 58 -6.023 -8.675 -5.783 1.00 0.40 H new ATOM 0 HB2 ARG A 58 -4.960 -10.931 -5.966 1.00 0.49 H new ATOM 0 HB3 ARG A 58 -4.238 -9.745 -7.036 1.00 0.49 H new ATOM 0 HG2 ARG A 58 -2.336 -9.467 -5.513 1.00 0.55 H new ATOM 0 HG3 ARG A 58 -3.075 -10.542 -4.343 1.00 0.55 H new ATOM 0 HD2 ARG A 58 -2.916 -12.430 -5.874 1.00 0.67 H new ATOM 0 HD3 ARG A 58 -2.392 -11.389 -7.183 1.00 0.67 H new ATOM 0 HE ARG A 58 -0.527 -11.018 -5.099 1.00 1.20 H new ATOM 0 HH11 ARG A 58 -1.707 -13.637 -7.152 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -0.170 -14.507 -7.126 1.00 0.89 H new ATOM 0 HH21 ARG A 58 1.447 -12.135 -5.073 1.00 2.29 H new ATOM 0 HH22 ARG A 58 1.612 -13.659 -5.951 1.00 2.29 H new ATOM 956 N HIS A 59 -4.520 -9.226 -2.933 1.00 0.38 N ATOM 957 CA HIS A 59 -4.727 -9.657 -1.551 1.00 0.50 C ATOM 958 C HIS A 59 -5.852 -8.893 -0.853 1.00 0.44 C ATOM 959 O HIS A 59 -6.831 -9.494 -0.396 1.00 0.46 O ATOM 960 CB HIS A 59 -3.427 -9.510 -0.756 1.00 0.68 C ATOM 961 CG HIS A 59 -3.513 -10.041 0.643 1.00 1.36 C ATOM 962 ND1 HIS A 59 -3.131 -11.321 0.987 1.00 1.75 N ATOM 963 CD2 HIS A 59 -3.935 -9.455 1.789 1.00 2.34 C ATOM 964 CE1 HIS A 59 -3.316 -11.499 2.284 1.00 2.36 C ATOM 965 NE2 HIS A 59 -3.802 -10.382 2.792 1.00 2.78 N ATOM 0 H HIS A 59 -3.608 -8.806 -3.112 1.00 0.38 H new ATOM 0 HA HIS A 59 -5.027 -10.704 -1.587 1.00 0.50 H new ATOM 0 HB2 HIS A 59 -2.628 -10.030 -1.284 1.00 0.68 H new ATOM 0 HB3 HIS A 59 -3.151 -8.456 -0.719 1.00 0.68 H new ATOM 0 HD2 HIS A 59 -4.307 -8.446 1.894 1.00 2.34 H new ATOM 0 HE1 HIS A 59 -3.105 -12.404 2.834 1.00 2.36 H new ATOM 0 HE2 HIS A 59 -4.040 -10.232 3.772 1.00 2.78 H new ATOM 974 N TYR A 60 -5.734 -7.573 -0.777 1.00 0.49 N ATOM 975 CA TYR A 60 -6.756 -6.791 -0.102 1.00 0.63 C ATOM 976 C TYR A 60 -8.059 -6.838 -0.889 1.00 0.51 C ATOM 977 O TYR A 60 -9.133 -6.648 -0.321 1.00 0.55 O ATOM 978 CB TYR A 60 -6.297 -5.357 0.174 1.00 0.94 C ATOM 979 CG TYR A 60 -6.272 -4.473 -1.032 1.00 0.47 C ATOM 980 CD1 TYR A 60 -7.442 -4.120 -1.672 1.00 1.22 C ATOM 981 CD2 TYR A 60 -5.081 -3.988 -1.525 1.00 0.97 C ATOM 982 CE1 TYR A 60 -7.423 -3.302 -2.774 1.00 2.23 C ATOM 983 CE2 TYR A 60 -5.048 -3.171 -2.615 1.00 1.87 C ATOM 984 CZ TYR A 60 -6.237 -2.860 -3.270 1.00 2.50 C ATOM 985 OH TYR A 60 -6.194 -1.991 -4.335 1.00 3.56 O ATOM 0 H TYR A 60 -4.960 -7.034 -1.165 1.00 0.49 H new ATOM 0 HA TYR A 60 -6.936 -7.240 0.875 1.00 0.63 H new ATOM 0 HB2 TYR A 60 -6.957 -4.915 0.920 1.00 0.94 H new ATOM 0 HB3 TYR A 60 -5.298 -5.386 0.609 1.00 0.94 H new ATOM 0 HD1 TYR A 60 -8.385 -4.492 -1.301 1.00 1.22 H new ATOM 0 HD2 TYR A 60 -4.156 -4.260 -1.039 1.00 0.97 H new ATOM 0 HE1 TYR A 60 -8.349 -3.010 -3.246 1.00 2.23 H new ATOM 0 HE2 TYR A 60 -4.110 -2.769 -2.967 1.00 1.87 H new ATOM 0 HH TYR A 60 -6.415 -1.087 -4.028 1.00 3.56 H new ATOM 995 N ARG A 61 -7.965 -7.080 -2.199 1.00 0.49 N ATOM 996 CA ARG A 61 -9.156 -7.191 -3.034 1.00 0.60 C ATOM 997 C ARG A 61 -9.996 -8.365 -2.544 1.00 0.51 C ATOM 998 O ARG A 61 -11.230 -8.317 -2.545 1.00 0.58 O ATOM 999 CB ARG A 61 -8.769 -7.383 -4.502 1.00 0.74 C ATOM 1000 CG ARG A 61 -9.956 -7.407 -5.451 1.00 1.16 C ATOM 1001 CD ARG A 61 -9.503 -7.378 -6.901 1.00 1.30 C ATOM 1002 NE ARG A 61 -10.627 -7.453 -7.831 1.00 2.29 N ATOM 1003 CZ ARG A 61 -10.670 -6.799 -8.988 1.00 2.72 C ATOM 1004 NH1 ARG A 61 -9.665 -6.012 -9.348 1.00 2.33 N ATOM 1005 NH2 ARG A 61 -11.721 -6.928 -9.784 1.00 3.83 N ATOM 0 H ARG A 61 -7.083 -7.201 -2.698 1.00 0.49 H new ATOM 0 HA ARG A 61 -9.737 -6.272 -2.961 1.00 0.60 H new ATOM 0 HB2 ARG A 61 -8.095 -6.579 -4.798 1.00 0.74 H new ATOM 0 HB3 ARG A 61 -8.216 -8.317 -4.603 1.00 0.74 H new ATOM 0 HG2 ARG A 61 -10.550 -8.303 -5.271 1.00 1.16 H new ATOM 0 HG3 ARG A 61 -10.601 -6.551 -5.252 1.00 1.16 H new ATOM 0 HD2 ARG A 61 -8.941 -6.463 -7.086 1.00 1.30 H new ATOM 0 HD3 ARG A 61 -8.825 -8.211 -7.085 1.00 1.30 H new ATOM 0 HE ARG A 61 -11.423 -8.039 -7.579 1.00 2.29 H new ATOM 0 HH11 ARG A 61 -8.855 -5.907 -8.737 1.00 2.33 H new ATOM 0 HH12 ARG A 61 -9.702 -5.512 -10.236 1.00 2.33 H new ATOM 0 HH21 ARG A 61 -12.498 -7.529 -9.510 1.00 3.83 H new ATOM 0 HH22 ARG A 61 -11.753 -6.426 -10.671 1.00 3.83 H new ATOM 1019 N GLN A 62 -9.306 -9.416 -2.107 1.00 0.42 N ATOM 1020 CA GLN A 62 -9.977 -10.593 -1.576 1.00 0.44 C ATOM 1021 C GLN A 62 -10.759 -10.172 -0.345 1.00 0.34 C ATOM 1022 O GLN A 62 -11.845 -10.685 -0.055 1.00 0.41 O ATOM 1023 CB GLN A 62 -8.969 -11.687 -1.219 1.00 0.49 C ATOM 1024 CG GLN A 62 -8.301 -12.320 -2.428 1.00 0.65 C ATOM 1025 CD GLN A 62 -7.364 -13.451 -2.049 1.00 1.17 C ATOM 1026 OE1 GLN A 62 -7.579 -14.145 -1.055 1.00 1.68 O ATOM 1027 NE2 GLN A 62 -6.315 -13.642 -2.841 1.00 1.32 N ATOM 0 H GLN A 62 -8.288 -9.474 -2.111 1.00 0.42 H new ATOM 0 HA GLN A 62 -10.648 -11.005 -2.330 1.00 0.44 H new ATOM 0 HB2 GLN A 62 -8.201 -11.264 -0.571 1.00 0.49 H new ATOM 0 HB3 GLN A 62 -9.477 -12.464 -0.647 1.00 0.49 H new ATOM 0 HG2 GLN A 62 -9.067 -12.698 -3.105 1.00 0.65 H new ATOM 0 HG3 GLN A 62 -7.743 -11.557 -2.972 1.00 0.65 H new ATOM 0 HE21 GLN A 62 -6.175 -13.043 -3.655 1.00 1.32 H new ATOM 0 HE22 GLN A 62 -5.650 -14.387 -2.635 1.00 1.32 H new ATOM 1036 N LEU A 63 -10.194 -9.204 0.369 1.00 0.31 N ATOM 1037 CA LEU A 63 -10.825 -8.668 1.556 1.00 0.40 C ATOM 1038 C LEU A 63 -11.814 -7.594 1.148 1.00 0.49 C ATOM 1039 O LEU A 63 -12.721 -7.265 1.897 1.00 0.75 O ATOM 1040 CB LEU A 63 -9.781 -8.096 2.513 1.00 0.62 C ATOM 1041 CG LEU A 63 -8.789 -9.116 3.079 1.00 0.66 C ATOM 1042 CD1 LEU A 63 -7.711 -8.417 3.891 1.00 1.45 C ATOM 1043 CD2 LEU A 63 -9.512 -10.149 3.933 1.00 1.57 C ATOM 0 H LEU A 63 -9.296 -8.777 0.140 1.00 0.31 H new ATOM 0 HA LEU A 63 -11.350 -9.469 2.076 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -9.221 -7.319 1.993 1.00 0.62 H new ATOM 0 HB3 LEU A 63 -10.297 -7.615 3.344 1.00 0.62 H new ATOM 0 HG LEU A 63 -8.313 -9.631 2.244 1.00 0.66 H new ATOM 0 HD11 LEU A 63 -7.015 -9.157 4.285 1.00 1.45 H new ATOM 0 HD12 LEU A 63 -7.172 -7.716 3.253 1.00 1.45 H new ATOM 0 HD13 LEU A 63 -8.172 -7.876 4.717 1.00 1.45 H new ATOM 0 HD21 LEU A 63 -8.791 -10.865 4.326 1.00 1.57 H new ATOM 0 HD22 LEU A 63 -10.015 -9.649 4.761 1.00 1.57 H new ATOM 0 HD23 LEU A 63 -10.249 -10.673 3.324 1.00 1.57 H new ATOM 1055 N SER A 64 -11.634 -7.046 -0.051 1.00 0.43 N ATOM 1056 CA SER A 64 -12.539 -6.026 -0.553 1.00 0.60 C ATOM 1057 C SER A 64 -13.923 -6.633 -0.705 1.00 0.76 C ATOM 1058 O SER A 64 -14.930 -5.927 -0.767 1.00 0.99 O ATOM 1059 CB SER A 64 -12.051 -5.465 -1.891 1.00 0.65 C ATOM 1060 OG SER A 64 -10.809 -4.799 -1.745 1.00 1.62 O ATOM 0 H SER A 64 -10.874 -7.291 -0.686 1.00 0.43 H new ATOM 0 HA SER A 64 -12.573 -5.198 0.155 1.00 0.60 H new ATOM 0 HB2 SER A 64 -11.949 -6.275 -2.613 1.00 0.65 H new ATOM 0 HB3 SER A 64 -12.793 -4.773 -2.291 1.00 0.65 H new ATOM 0 HG SER A 64 -10.220 -5.328 -1.167 1.00 1.62 H new ATOM 1066 N LEU A 65 -13.948 -7.959 -0.775 1.00 0.70 N ATOM 1067 CA LEU A 65 -15.193 -8.702 -0.892 1.00 0.88 C ATOM 1068 C LEU A 65 -15.744 -9.032 0.493 1.00 0.97 C ATOM 1069 O LEU A 65 -16.926 -8.814 0.767 1.00 1.35 O ATOM 1070 CB LEU A 65 -14.967 -9.993 -1.685 1.00 0.91 C ATOM 1071 CG LEU A 65 -14.187 -9.826 -2.990 1.00 1.53 C ATOM 1072 CD1 LEU A 65 -13.946 -11.179 -3.643 1.00 2.32 C ATOM 1073 CD2 LEU A 65 -14.929 -8.900 -3.943 1.00 1.80 C ATOM 0 H LEU A 65 -13.112 -8.543 -0.752 1.00 0.70 H new ATOM 0 HA LEU A 65 -15.918 -8.084 -1.422 1.00 0.88 H new ATOM 0 HB2 LEU A 65 -14.435 -10.702 -1.051 1.00 0.91 H new ATOM 0 HB3 LEU A 65 -15.937 -10.435 -1.914 1.00 0.91 H new ATOM 0 HG LEU A 65 -13.221 -9.377 -2.757 1.00 1.53 H new ATOM 0 HD11 LEU A 65 -13.390 -11.042 -4.570 1.00 2.32 H new ATOM 0 HD12 LEU A 65 -13.373 -11.813 -2.966 1.00 2.32 H new ATOM 0 HD13 LEU A 65 -14.903 -11.654 -3.861 1.00 2.32 H new ATOM 0 HD21 LEU A 65 -14.358 -8.794 -4.865 1.00 1.80 H new ATOM 0 HD22 LEU A 65 -15.909 -9.320 -4.169 1.00 1.80 H new ATOM 0 HD23 LEU A 65 -15.052 -7.922 -3.478 1.00 1.80 H new ATOM 1085 N GLN A 66 -14.884 -9.562 1.366 1.00 0.75 N ATOM 1086 CA GLN A 66 -15.299 -9.920 2.724 1.00 0.88 C ATOM 1087 C GLN A 66 -15.623 -8.674 3.562 1.00 0.97 C ATOM 1088 O GLN A 66 -16.652 -8.626 4.238 1.00 1.15 O ATOM 1089 CB GLN A 66 -14.218 -10.779 3.407 1.00 0.83 C ATOM 1090 CG GLN A 66 -13.233 -9.997 4.264 1.00 0.81 C ATOM 1091 CD GLN A 66 -13.822 -9.597 5.606 1.00 0.93 C ATOM 1092 OE1 GLN A 66 -13.557 -8.365 6.020 1.00 0.97 O flip ATOM 1093 NE2 GLN A 66 -14.530 -10.375 6.245 1.00 1.04 N flip ATOM 0 H GLN A 66 -13.903 -9.752 1.159 1.00 0.75 H new ATOM 0 HA GLN A 66 -16.214 -10.508 2.651 1.00 0.88 H new ATOM 0 HB2 GLN A 66 -14.708 -11.527 4.031 1.00 0.83 H new ATOM 0 HB3 GLN A 66 -13.663 -11.318 2.639 1.00 0.83 H new ATOM 0 HG2 GLN A 66 -12.340 -10.600 4.428 1.00 0.81 H new ATOM 0 HG3 GLN A 66 -12.919 -9.102 3.727 1.00 0.81 H new ATOM 0 HE21 GLN A 66 -14.707 -11.314 5.888 1.00 1.04 H new ATOM 0 HE22 GLN A 66 -14.940 -10.081 7.132 1.00 1.04 H new ATOM 1102 N LEU A 67 -14.732 -7.679 3.522 1.00 0.88 N ATOM 1103 CA LEU A 67 -14.911 -6.430 4.274 1.00 1.03 C ATOM 1104 C LEU A 67 -16.308 -5.838 4.057 1.00 1.14 C ATOM 1105 O LEU A 67 -17.058 -6.305 3.201 1.00 1.17 O ATOM 1106 CB LEU A 67 -13.845 -5.406 3.862 1.00 0.95 C ATOM 1107 CG LEU A 67 -12.760 -5.123 4.907 1.00 1.23 C ATOM 1108 CD1 LEU A 67 -11.630 -6.125 4.793 1.00 1.87 C ATOM 1109 CD2 LEU A 67 -12.227 -3.707 4.751 1.00 1.86 C ATOM 0 H LEU A 67 -13.873 -7.714 2.973 1.00 0.88 H new ATOM 0 HA LEU A 67 -14.802 -6.663 5.333 1.00 1.03 H new ATOM 0 HB2 LEU A 67 -13.363 -5.757 2.950 1.00 0.95 H new ATOM 0 HB3 LEU A 67 -14.343 -4.468 3.618 1.00 0.95 H new ATOM 0 HG LEU A 67 -13.207 -5.221 5.896 1.00 1.23 H new ATOM 0 HD11 LEU A 67 -10.871 -5.905 5.544 1.00 1.87 H new ATOM 0 HD12 LEU A 67 -12.018 -7.131 4.953 1.00 1.87 H new ATOM 0 HD13 LEU A 67 -11.186 -6.061 3.800 1.00 1.87 H new ATOM 0 HD21 LEU A 67 -11.458 -3.523 5.501 1.00 1.86 H new ATOM 0 HD22 LEU A 67 -11.800 -3.587 3.756 1.00 1.86 H new ATOM 0 HD23 LEU A 67 -13.041 -2.995 4.885 1.00 1.86 H new ATOM 1121 N PRO A 68 -16.673 -4.787 4.823 1.00 1.32 N ATOM 1122 CA PRO A 68 -17.985 -4.142 4.711 1.00 1.51 C ATOM 1123 C PRO A 68 -18.086 -3.242 3.490 1.00 1.30 C ATOM 1124 O PRO A 68 -17.124 -3.086 2.743 1.00 1.48 O ATOM 1125 CB PRO A 68 -18.045 -3.303 5.979 1.00 1.82 C ATOM 1126 CG PRO A 68 -16.637 -2.884 6.152 1.00 1.71 C ATOM 1127 CD PRO A 68 -15.844 -4.118 5.851 1.00 1.46 C ATOM 0 HA PRO A 68 -18.794 -4.864 4.602 1.00 1.51 H new ATOM 0 HB2 PRO A 68 -18.712 -2.448 5.869 1.00 1.82 H new ATOM 0 HB3 PRO A 68 -18.404 -3.880 6.831 1.00 1.82 H new ATOM 0 HG2 PRO A 68 -16.378 -2.070 5.475 1.00 1.71 H new ATOM 0 HG3 PRO A 68 -16.450 -2.528 7.165 1.00 1.71 H new ATOM 0 HD2 PRO A 68 -14.848 -3.880 5.478 1.00 1.46 H new ATOM 0 HD3 PRO A 68 -15.712 -4.742 6.735 1.00 1.46 H new ATOM 1135 N LYS A 69 -19.250 -2.634 3.318 1.00 1.27 N ATOM 1136 CA LYS A 69 -19.506 -1.742 2.192 1.00 1.31 C ATOM 1137 C LYS A 69 -19.295 -2.445 0.852 1.00 1.57 C ATOM 1138 O LYS A 69 -18.290 -3.120 0.633 1.00 2.36 O ATOM 1139 CB LYS A 69 -18.614 -0.506 2.284 1.00 2.04 C ATOM 1140 CG LYS A 69 -19.288 0.680 2.950 1.00 2.94 C ATOM 1141 CD LYS A 69 -18.345 1.870 3.053 1.00 3.72 C ATOM 1142 CE LYS A 69 -18.975 3.017 3.825 1.00 4.17 C ATOM 1143 NZ LYS A 69 -19.267 2.643 5.236 1.00 4.86 N ATOM 0 H LYS A 69 -20.042 -2.743 3.951 1.00 1.27 H new ATOM 0 HA LYS A 69 -20.551 -1.437 2.245 1.00 1.31 H new ATOM 0 HB2 LYS A 69 -17.711 -0.760 2.840 1.00 2.04 H new ATOM 0 HB3 LYS A 69 -18.300 -0.219 1.280 1.00 2.04 H new ATOM 0 HG2 LYS A 69 -20.173 0.964 2.381 1.00 2.94 H new ATOM 0 HG3 LYS A 69 -19.627 0.395 3.946 1.00 2.94 H new ATOM 0 HD2 LYS A 69 -17.422 1.562 3.545 1.00 3.72 H new ATOM 0 HD3 LYS A 69 -18.075 2.209 2.053 1.00 3.72 H new ATOM 0 HE2 LYS A 69 -18.305 3.877 3.809 1.00 4.17 H new ATOM 0 HE3 LYS A 69 -19.898 3.323 3.332 1.00 4.17 H new ATOM 0 HZ1 LYS A 69 -19.436 3.503 5.795 1.00 4.86 H new ATOM 0 HZ2 LYS A 69 -20.112 2.038 5.267 1.00 4.86 H new ATOM 0 HZ3 LYS A 69 -18.457 2.126 5.633 1.00 4.86 H new