USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 253 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 17 LYS NZ :NH3+ 163:sc= -0.019 (180deg=-0.26) USER MOD Single : A 19 MET CE :methyl 158:sc= -0.129 (180deg=-0.728) USER MOD Single : A 20 SER OG : rot 82:sc= 0.388 USER MOD Single : A 22 SER OG : rot -139:sc= -1.42 USER MOD Single : A 23 SER OG : rot -24:sc= 0.779 USER MOD Single : A 27 TYR OH : rot 23:sc= -1.64! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -4.8! C(o=-4.8!,f=-6.1!) USER MOD Single : A 31 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.13) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.667 K(o=-0.67,f=-1.8!) USER MOD Single : A 36 SER OG : rot 180:sc=-0.000468 USER MOD Single : A 37 GLN : amide:sc= -10.9! C(o=-11!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 14 -10.805 -1.626 -0.323 1.00 15.00 N ATOM 73 CA GLY A 14 -10.410 -0.369 0.272 1.00 15.00 C ATOM 74 C GLY A 14 -8.978 -0.021 -0.042 1.00 15.00 C ATOM 75 O GLY A 14 -8.321 0.674 0.720 1.00 15.00 O ATOM 0 HA2 GLY A 14 -11.064 0.425 -0.090 1.00 15.00 H new ATOM 0 HA3 GLY A 14 -10.542 -0.422 1.353 1.00 15.00 H new ATOM 79 N TRP A 15 -8.518 -0.474 -1.189 1.00 15.00 N ATOM 80 CA TRP A 15 -7.126 -0.334 -1.581 1.00 15.00 C ATOM 81 C TRP A 15 -6.801 0.958 -2.355 1.00 15.00 C ATOM 82 O TRP A 15 -7.297 1.185 -3.458 1.00 15.00 O ATOM 83 CB TRP A 15 -6.713 -1.534 -2.428 1.00 15.00 C ATOM 84 CG TRP A 15 -6.126 -2.723 -1.702 1.00 15.00 C ATOM 85 CD1 TRP A 15 -6.110 -4.010 -2.151 1.00 15.00 C ATOM 86 CD2 TRP A 15 -5.397 -2.730 -0.459 1.00 15.00 C ATOM 87 NE1 TRP A 15 -5.354 -4.797 -1.317 1.00 15.00 N ATOM 88 CE2 TRP A 15 -4.922 -4.042 -0.264 1.00 15.00 C ATOM 89 CE3 TRP A 15 -5.083 -1.765 0.503 1.00 15.00 C ATOM 90 CZ2 TRP A 15 -4.138 -4.396 0.831 1.00 15.00 C ATOM 91 CZ3 TRP A 15 -4.332 -2.133 1.593 1.00 15.00 C ATOM 92 CH2 TRP A 15 -3.861 -3.429 1.743 1.00 15.00 C ATOM 0 H TRP A 15 -9.098 -0.951 -1.879 1.00 15.00 H new ATOM 0 HA TRP A 15 -6.562 -0.282 -0.649 1.00 15.00 H new ATOM 0 HB2 TRP A 15 -7.588 -1.874 -2.981 1.00 15.00 H new ATOM 0 HB3 TRP A 15 -5.984 -1.194 -3.163 1.00 15.00 H new ATOM 0 HD1 TRP A 15 -6.619 -4.361 -3.036 1.00 15.00 H new ATOM 0 HE1 TRP A 15 -5.148 -5.786 -1.461 1.00 15.00 H new ATOM 0 HE3 TRP A 15 -5.425 -0.747 0.391 1.00 15.00 H new ATOM 0 HZ2 TRP A 15 -3.764 -5.402 0.950 1.00 15.00 H new ATOM 0 HZ3 TRP A 15 -4.103 -1.397 2.350 1.00 15.00 H new ATOM 0 HH2 TRP A 15 -3.260 -3.675 2.606 1.00 15.00 H new ATOM 103 N GLU A 16 -5.951 1.789 -1.742 1.00 15.00 N ATOM 104 CA GLU A 16 -5.269 2.895 -2.422 1.00 15.00 C ATOM 105 C GLU A 16 -3.860 2.417 -2.789 1.00 15.00 C ATOM 106 O GLU A 16 -3.048 2.137 -1.907 1.00 15.00 O ATOM 107 CB GLU A 16 -5.206 4.144 -1.508 1.00 15.00 C ATOM 108 CG GLU A 16 -4.419 5.320 -2.070 1.00 15.00 C ATOM 109 CD GLU A 16 -4.796 5.639 -3.503 1.00 15.00 C ATOM 110 OE1 GLU A 16 -5.861 6.257 -3.718 1.00 15.00 O ATOM 111 OE2 GLU A 16 -4.039 5.272 -4.423 1.00 15.00 O1- ATOM 0 H GLU A 16 -5.715 1.712 -0.753 1.00 15.00 H new ATOM 0 HA GLU A 16 -5.815 3.182 -3.321 1.00 15.00 H new ATOM 0 HB2 GLU A 16 -6.224 4.474 -1.301 1.00 15.00 H new ATOM 0 HB3 GLU A 16 -4.765 3.855 -0.554 1.00 15.00 H new ATOM 0 HG2 GLU A 16 -4.591 6.199 -1.448 1.00 15.00 H new ATOM 0 HG3 GLU A 16 -3.353 5.097 -2.019 1.00 15.00 H new ATOM 118 N LYS A 17 -3.587 2.301 -4.084 1.00 15.00 N ATOM 119 CA LYS A 17 -2.396 1.601 -4.563 1.00 15.00 C ATOM 120 C LYS A 17 -1.306 2.563 -5.024 1.00 15.00 C ATOM 121 O LYS A 17 -1.465 3.236 -6.044 1.00 15.00 O ATOM 122 CB LYS A 17 -2.784 0.692 -5.739 1.00 15.00 C ATOM 123 CG LYS A 17 -1.931 -0.564 -5.902 1.00 15.00 C ATOM 124 CD LYS A 17 -0.452 -0.264 -6.065 1.00 15.00 C ATOM 125 CE LYS A 17 0.329 -1.518 -6.413 1.00 15.00 C ATOM 126 NZ LYS A 17 0.001 -2.009 -7.781 1.00 15.00 N1+ ATOM 0 H LYS A 17 -4.175 2.683 -4.825 1.00 15.00 H new ATOM 0 HA LYS A 17 -2.000 1.019 -3.731 1.00 15.00 H new ATOM 0 HB2 LYS A 17 -3.824 0.391 -5.616 1.00 15.00 H new ATOM 0 HB3 LYS A 17 -2.726 1.272 -6.660 1.00 15.00 H new ATOM 0 HG2 LYS A 17 -2.071 -1.206 -5.033 1.00 15.00 H new ATOM 0 HG3 LYS A 17 -2.280 -1.122 -6.771 1.00 15.00 H new ATOM 0 HD2 LYS A 17 -0.314 0.482 -6.848 1.00 15.00 H new ATOM 0 HD3 LYS A 17 -0.062 0.166 -5.142 1.00 15.00 H new ATOM 0 HE2 LYS A 17 1.397 -1.312 -6.347 1.00 15.00 H new ATOM 0 HE3 LYS A 17 0.109 -2.298 -5.684 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 0.736 -2.673 -8.097 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 -0.919 -2.494 -7.765 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 -0.044 -1.204 -8.437 1.00 15.00 H new ATOM 140 N ARG A 18 -0.211 2.638 -4.271 1.00 15.00 N ATOM 141 CA ARG A 18 0.987 3.324 -4.752 1.00 15.00 C ATOM 142 C ARG A 18 2.209 2.656 -4.104 1.00 15.00 C ATOM 143 O ARG A 18 2.145 2.185 -2.968 1.00 15.00 O ATOM 144 CB ARG A 18 0.843 4.839 -4.477 1.00 15.00 C ATOM 145 CG ARG A 18 2.029 5.759 -4.799 1.00 15.00 C ATOM 146 CD ARG A 18 2.706 5.422 -6.117 1.00 15.00 C ATOM 147 NE ARG A 18 3.825 6.318 -6.399 1.00 15.00 N ATOM 148 CZ ARG A 18 4.622 6.211 -7.462 1.00 15.00 C ATOM 149 NH1 ARG A 18 4.396 5.284 -8.384 1.00 15.00 N1+ ATOM 150 NH2 ARG A 18 5.634 7.053 -7.622 1.00 15.00 N ATOM 0 H ARG A 18 -0.127 2.238 -3.337 1.00 15.00 H new ATOM 0 HA ARG A 18 1.123 3.236 -5.830 1.00 15.00 H new ATOM 0 HB2 ARG A 18 -0.017 5.198 -5.042 1.00 15.00 H new ATOM 0 HB3 ARG A 18 0.605 4.963 -3.421 1.00 15.00 H new ATOM 0 HG2 ARG A 18 1.682 6.792 -4.830 1.00 15.00 H new ATOM 0 HG3 ARG A 18 2.761 5.693 -3.994 1.00 15.00 H new ATOM 0 HD2 ARG A 18 3.063 4.393 -6.089 1.00 15.00 H new ATOM 0 HD3 ARG A 18 1.978 5.485 -6.926 1.00 15.00 H new ATOM 0 HE ARG A 18 4.008 7.074 -5.740 1.00 15.00 H new ATOM 0 HH11 ARG A 18 3.607 4.646 -8.283 1.00 15.00 H new ATOM 0 HH12 ARG A 18 5.011 5.210 -9.194 1.00 15.00 H new ATOM 0 HH21 ARG A 18 5.803 7.784 -6.931 1.00 15.00 H new ATOM 0 HH22 ARG A 18 6.243 6.970 -8.436 1.00 15.00 H new ATOM 164 N MET A 19 3.307 2.579 -4.829 1.00 15.00 N ATOM 165 CA MET A 19 4.450 1.797 -4.378 1.00 15.00 C ATOM 166 C MET A 19 5.387 2.652 -3.538 1.00 15.00 C ATOM 167 O MET A 19 5.561 3.837 -3.812 1.00 15.00 O ATOM 168 CB MET A 19 5.208 1.243 -5.587 1.00 15.00 C ATOM 169 CG MET A 19 6.339 0.293 -5.221 1.00 15.00 C ATOM 170 SD MET A 19 7.374 -0.143 -6.632 1.00 15.00 S ATOM 171 CE MET A 19 8.136 1.439 -6.994 1.00 15.00 C ATOM 0 H MET A 19 3.436 3.044 -5.728 1.00 15.00 H new ATOM 0 HA MET A 19 4.085 0.972 -3.766 1.00 15.00 H new ATOM 0 HB2 MET A 19 4.505 0.722 -6.237 1.00 15.00 H new ATOM 0 HB3 MET A 19 5.616 2.075 -6.160 1.00 15.00 H new ATOM 0 HG2 MET A 19 6.958 0.753 -4.451 1.00 15.00 H new ATOM 0 HG3 MET A 19 5.918 -0.616 -4.791 1.00 15.00 H new ATOM 0 HE1 MET A 19 9.059 1.279 -7.551 1.00 15.00 H new ATOM 0 HE2 MET A 19 7.453 2.044 -7.590 1.00 15.00 H new ATOM 0 HE3 MET A 19 8.360 1.957 -6.061 1.00 15.00 H new ATOM 181 N SER A 20 6.018 2.032 -2.549 1.00 15.00 N ATOM 182 CA SER A 20 6.990 2.724 -1.726 1.00 15.00 C ATOM 183 C SER A 20 8.356 2.570 -2.367 1.00 15.00 C ATOM 184 O SER A 20 8.952 1.480 -2.346 1.00 15.00 O ATOM 185 CB SER A 20 7.014 2.145 -0.313 1.00 15.00 C ATOM 186 OG SER A 20 5.704 1.845 0.135 1.00 15.00 O ATOM 0 H SER A 20 5.872 1.053 -2.301 1.00 15.00 H new ATOM 0 HA SER A 20 6.720 3.778 -1.654 1.00 15.00 H new ATOM 0 HB2 SER A 20 7.624 1.242 -0.297 1.00 15.00 H new ATOM 0 HB3 SER A 20 7.481 2.857 0.368 1.00 15.00 H new ATOM 0 HG SER A 20 5.426 0.977 -0.225 1.00 15.00 H new ATOM 192 N ARG A 21 8.815 3.668 -2.951 1.00 15.00 N ATOM 193 CA ARG A 21 9.997 3.693 -3.801 1.00 15.00 C ATOM 194 C ARG A 21 11.262 3.411 -3.004 1.00 15.00 C ATOM 195 O ARG A 21 12.275 2.976 -3.554 1.00 15.00 O ATOM 196 CB ARG A 21 10.110 5.067 -4.466 1.00 15.00 C ATOM 197 CG ARG A 21 8.821 5.550 -5.112 1.00 15.00 C ATOM 198 CD ARG A 21 8.857 7.051 -5.336 1.00 15.00 C ATOM 199 NE ARG A 21 8.938 7.770 -4.064 1.00 15.00 N ATOM 200 CZ ARG A 21 8.958 9.095 -3.936 1.00 15.00 C ATOM 201 NH1 ARG A 21 8.976 9.874 -5.005 1.00 15.00 N1+ ATOM 202 NH2 ARG A 21 8.988 9.634 -2.724 1.00 15.00 N ATOM 0 H ARG A 21 8.370 4.580 -2.846 1.00 15.00 H new ATOM 0 HA ARG A 21 9.892 2.914 -4.556 1.00 15.00 H new ATOM 0 HB2 ARG A 21 10.425 5.796 -3.719 1.00 15.00 H new ATOM 0 HB3 ARG A 21 10.892 5.029 -5.224 1.00 15.00 H new ATOM 0 HG2 ARG A 21 8.673 5.040 -6.064 1.00 15.00 H new ATOM 0 HG3 ARG A 21 7.973 5.293 -4.477 1.00 15.00 H new ATOM 0 HD2 ARG A 21 9.714 7.309 -5.959 1.00 15.00 H new ATOM 0 HD3 ARG A 21 7.964 7.363 -5.878 1.00 15.00 H new ATOM 0 HE ARG A 21 8.983 7.214 -3.210 1.00 15.00 H new ATOM 0 HH11 ARG A 21 8.975 9.461 -5.937 1.00 15.00 H new ATOM 0 HH12 ARG A 21 8.991 10.888 -4.897 1.00 15.00 H new ATOM 0 HH21 ARG A 21 8.996 9.034 -1.899 1.00 15.00 H new ATOM 0 HH22 ARG A 21 9.004 10.648 -2.617 1.00 15.00 H new ATOM 216 N SER A 22 11.204 3.691 -1.712 1.00 15.00 N ATOM 217 CA SER A 22 12.352 3.521 -0.843 1.00 15.00 C ATOM 218 C SER A 22 12.720 2.045 -0.682 1.00 15.00 C ATOM 219 O SER A 22 13.685 1.565 -1.278 1.00 15.00 O ATOM 220 CB SER A 22 12.055 4.138 0.524 1.00 15.00 C ATOM 221 OG SER A 22 11.614 5.480 0.391 1.00 15.00 O ATOM 0 H SER A 22 10.368 4.039 -1.242 1.00 15.00 H new ATOM 0 HA SER A 22 13.202 4.028 -1.299 1.00 15.00 H new ATOM 0 HB2 SER A 22 11.292 3.550 1.035 1.00 15.00 H new ATOM 0 HB3 SER A 22 12.951 4.106 1.144 1.00 15.00 H new ATOM 0 HG SER A 22 12.023 6.030 1.092 1.00 15.00 H new ATOM 227 N SER A 23 11.917 1.318 0.083 1.00 15.00 N ATOM 228 CA SER A 23 12.259 -0.041 0.477 1.00 15.00 C ATOM 229 C SER A 23 11.745 -1.086 -0.520 1.00 15.00 C ATOM 230 O SER A 23 12.106 -2.259 -0.432 1.00 15.00 O ATOM 231 CB SER A 23 11.693 -0.312 1.876 1.00 15.00 C ATOM 232 OG SER A 23 12.112 -1.565 2.385 1.00 15.00 O ATOM 0 H SER A 23 11.022 1.648 0.444 1.00 15.00 H new ATOM 0 HA SER A 23 13.345 -0.128 0.487 1.00 15.00 H new ATOM 0 HB2 SER A 23 12.011 0.479 2.555 1.00 15.00 H new ATOM 0 HB3 SER A 23 10.604 -0.282 1.838 1.00 15.00 H new ATOM 0 HG SER A 23 12.336 -2.162 1.641 1.00 15.00 H new ATOM 238 N GLY A 24 10.908 -0.672 -1.463 1.00 15.00 N ATOM 239 CA GLY A 24 10.300 -1.636 -2.370 1.00 15.00 C ATOM 240 C GLY A 24 9.197 -2.420 -1.686 1.00 15.00 C ATOM 241 O GLY A 24 9.208 -3.651 -1.655 1.00 15.00 O ATOM 0 H GLY A 24 10.640 0.300 -1.618 1.00 15.00 H new ATOM 0 HA2 GLY A 24 9.894 -1.116 -3.238 1.00 15.00 H new ATOM 0 HA3 GLY A 24 11.062 -2.323 -2.738 1.00 15.00 H new ATOM 245 N ARG A 25 8.248 -1.682 -1.140 1.00 15.00 N ATOM 246 CA ARG A 25 7.162 -2.240 -0.331 1.00 15.00 C ATOM 247 C ARG A 25 5.867 -1.595 -0.805 1.00 15.00 C ATOM 248 O ARG A 25 5.932 -0.459 -1.270 1.00 15.00 O ATOM 249 CB ARG A 25 7.417 -1.899 1.144 1.00 15.00 C ATOM 250 CG ARG A 25 8.701 -2.490 1.711 1.00 15.00 C ATOM 251 CD ARG A 25 8.703 -2.521 3.232 1.00 15.00 C ATOM 252 NE ARG A 25 8.996 -3.856 3.758 1.00 15.00 N ATOM 253 CZ ARG A 25 10.179 -4.232 4.244 1.00 15.00 C ATOM 254 NH1 ARG A 25 11.234 -3.435 4.150 1.00 15.00 N1+ ATOM 255 NH2 ARG A 25 10.311 -5.428 4.804 1.00 15.00 N ATOM 0 H ARG A 25 8.202 -0.668 -1.242 1.00 15.00 H new ATOM 0 HA ARG A 25 7.102 -3.324 -0.433 1.00 15.00 H new ATOM 0 HB2 ARG A 25 7.450 -0.815 1.254 1.00 15.00 H new ATOM 0 HB3 ARG A 25 6.574 -2.254 1.738 1.00 15.00 H new ATOM 0 HG2 ARG A 25 8.831 -3.503 1.330 1.00 15.00 H new ATOM 0 HG3 ARG A 25 9.552 -1.906 1.361 1.00 15.00 H new ATOM 0 HD2 ARG A 25 9.443 -1.814 3.607 1.00 15.00 H new ATOM 0 HD3 ARG A 25 7.732 -2.192 3.602 1.00 15.00 H new ATOM 0 HE ARG A 25 8.244 -4.545 3.752 1.00 15.00 H new ATOM 0 HH11 ARG A 25 11.146 -2.523 3.702 1.00 15.00 H new ATOM 0 HH12 ARG A 25 12.134 -3.734 4.526 1.00 15.00 H new ATOM 0 HH21 ARG A 25 9.509 -6.056 4.861 1.00 15.00 H new ATOM 0 HH22 ARG A 25 11.214 -5.720 5.177 1.00 15.00 H new ATOM 269 N VAL A 26 4.686 -2.234 -0.737 1.00 15.00 N ATOM 270 CA VAL A 26 3.556 -1.538 -1.259 1.00 15.00 C ATOM 271 C VAL A 26 2.885 -0.823 -0.118 1.00 15.00 C ATOM 272 O VAL A 26 2.487 -1.439 0.894 1.00 15.00 O ATOM 273 CB VAL A 26 2.567 -2.459 -2.005 1.00 15.00 C ATOM 274 CG1 VAL A 26 1.396 -1.661 -2.558 1.00 15.00 C ATOM 275 CG2 VAL A 26 3.277 -3.202 -3.127 1.00 15.00 C ATOM 0 H VAL A 26 4.518 -3.163 -0.351 1.00 15.00 H new ATOM 0 HA VAL A 26 3.900 -0.825 -2.009 1.00 15.00 H new ATOM 0 HB VAL A 26 2.178 -3.188 -1.294 1.00 15.00 H new ATOM 0 HG11 VAL A 26 0.713 -2.331 -3.079 1.00 15.00 H new ATOM 0 HG12 VAL A 26 0.870 -1.172 -1.738 1.00 15.00 H new ATOM 0 HG13 VAL A 26 1.765 -0.907 -3.253 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.566 -3.847 -3.643 1.00 15.00 H new ATOM 0 HG22 VAL A 26 3.694 -2.483 -3.833 1.00 15.00 H new ATOM 0 HG23 VAL A 26 4.081 -3.809 -2.710 1.00 15.00 H new ATOM 285 N TYR A 27 2.783 0.485 -0.243 1.00 15.00 N ATOM 286 CA TYR A 27 2.039 1.182 0.735 1.00 15.00 C ATOM 287 C TYR A 27 0.650 1.154 0.148 1.00 15.00 C ATOM 288 O TYR A 27 0.359 1.703 -0.940 1.00 15.00 O ATOM 289 CB TYR A 27 2.567 2.602 1.043 1.00 15.00 C ATOM 290 CG TYR A 27 1.960 3.673 0.197 1.00 15.00 C ATOM 291 CD1 TYR A 27 0.661 4.101 0.454 1.00 15.00 C ATOM 292 CD2 TYR A 27 2.630 4.198 -0.888 1.00 15.00 C ATOM 293 CE1 TYR A 27 0.051 5.024 -0.342 1.00 15.00 C ATOM 294 CE2 TYR A 27 2.021 5.113 -1.698 1.00 15.00 C ATOM 295 CZ TYR A 27 0.725 5.521 -1.420 1.00 15.00 C ATOM 296 OH TYR A 27 0.101 6.422 -2.238 1.00 15.00 O ATOM 0 H TYR A 27 3.194 1.050 -0.986 1.00 15.00 H new ATOM 0 HA TYR A 27 2.098 0.726 1.723 1.00 15.00 H new ATOM 0 HB2 TYR A 27 2.376 2.830 2.092 1.00 15.00 H new ATOM 0 HB3 TYR A 27 3.648 2.614 0.906 1.00 15.00 H new ATOM 0 HD1 TYR A 27 0.126 3.694 1.300 1.00 15.00 H new ATOM 0 HD2 TYR A 27 3.642 3.884 -1.098 1.00 15.00 H new ATOM 0 HE1 TYR A 27 -0.952 5.358 -0.123 1.00 15.00 H new ATOM 0 HE2 TYR A 27 2.546 5.517 -2.551 1.00 15.00 H new ATOM 0 HH TYR A 27 -0.621 6.866 -1.746 1.00 15.00 H new ATOM 306 N TYR A 28 -0.155 0.353 0.765 1.00 15.00 N ATOM 307 CA TYR A 28 -1.399 0.022 0.183 1.00 15.00 C ATOM 308 C TYR A 28 -2.406 0.394 1.256 1.00 15.00 C ATOM 309 O TYR A 28 -2.456 -0.204 2.327 1.00 15.00 O ATOM 310 CB TYR A 28 -1.347 -1.466 -0.181 1.00 15.00 C ATOM 311 CG TYR A 28 -2.151 -1.852 -1.397 1.00 15.00 C ATOM 312 CD1 TYR A 28 -2.987 -0.949 -2.028 1.00 15.00 C ATOM 313 CD2 TYR A 28 -2.000 -3.112 -1.962 1.00 15.00 C ATOM 314 CE1 TYR A 28 -3.665 -1.295 -3.176 1.00 15.00 C ATOM 315 CE2 TYR A 28 -2.666 -3.464 -3.115 1.00 15.00 C ATOM 316 CZ TYR A 28 -3.501 -2.555 -3.719 1.00 15.00 C ATOM 317 OH TYR A 28 -4.171 -2.902 -4.870 1.00 15.00 O ATOM 0 H TYR A 28 0.032 -0.080 1.670 1.00 15.00 H new ATOM 0 HA TYR A 28 -1.662 0.537 -0.741 1.00 15.00 H new ATOM 0 HB2 TYR A 28 -0.307 -1.748 -0.347 1.00 15.00 H new ATOM 0 HB3 TYR A 28 -1.703 -2.046 0.671 1.00 15.00 H new ATOM 0 HD1 TYR A 28 -3.110 0.041 -1.615 1.00 15.00 H new ATOM 0 HD2 TYR A 28 -1.347 -3.830 -1.488 1.00 15.00 H new ATOM 0 HE1 TYR A 28 -4.324 -0.583 -3.651 1.00 15.00 H new ATOM 0 HE2 TYR A 28 -2.533 -4.447 -3.541 1.00 15.00 H new ATOM 0 HH TYR A 28 -3.943 -3.823 -5.116 1.00 15.00 H new ATOM 327 N PHE A 29 -3.094 1.482 1.022 1.00 15.00 N ATOM 328 CA PHE A 29 -3.762 2.202 2.088 1.00 15.00 C ATOM 329 C PHE A 29 -5.269 2.054 2.021 1.00 15.00 C ATOM 330 O PHE A 29 -5.886 2.295 0.993 1.00 15.00 O ATOM 331 CB PHE A 29 -3.296 3.659 2.003 1.00 15.00 C ATOM 332 CG PHE A 29 -4.264 4.712 2.458 1.00 15.00 C ATOM 333 CD1 PHE A 29 -5.164 5.230 1.554 1.00 15.00 C ATOM 334 CD2 PHE A 29 -4.233 5.232 3.738 1.00 15.00 C ATOM 335 CE1 PHE A 29 -6.022 6.242 1.897 1.00 15.00 C ATOM 336 CE2 PHE A 29 -5.102 6.245 4.099 1.00 15.00 C ATOM 337 CZ PHE A 29 -5.994 6.753 3.168 1.00 15.00 C ATOM 0 H PHE A 29 -3.210 1.895 0.097 1.00 15.00 H new ATOM 0 HA PHE A 29 -3.495 1.787 3.060 1.00 15.00 H new ATOM 0 HB2 PHE A 29 -2.385 3.758 2.594 1.00 15.00 H new ATOM 0 HB3 PHE A 29 -3.029 3.869 0.967 1.00 15.00 H new ATOM 0 HD1 PHE A 29 -5.195 4.830 0.551 1.00 15.00 H new ATOM 0 HD2 PHE A 29 -3.528 4.846 4.459 1.00 15.00 H new ATOM 0 HE1 PHE A 29 -6.717 6.635 1.169 1.00 15.00 H new ATOM 0 HE2 PHE A 29 -5.086 6.639 5.104 1.00 15.00 H new ATOM 0 HZ PHE A 29 -6.667 7.551 3.444 1.00 15.00 H new ATOM 347 N ASN A 30 -5.859 1.661 3.135 1.00 15.00 N ATOM 348 CA ASN A 30 -7.296 1.499 3.200 1.00 15.00 C ATOM 349 C ASN A 30 -7.940 2.808 3.629 1.00 15.00 C ATOM 350 O ASN A 30 -7.680 3.324 4.714 1.00 15.00 O ATOM 351 CB ASN A 30 -7.700 0.339 4.126 1.00 15.00 C ATOM 352 CG ASN A 30 -7.348 0.552 5.586 1.00 15.00 C ATOM 353 OD1 ASN A 30 -8.125 1.132 6.342 1.00 15.00 O ATOM 354 ND2 ASN A 30 -6.191 0.058 5.997 1.00 15.00 N ATOM 0 H ASN A 30 -5.366 1.449 4.003 1.00 15.00 H new ATOM 0 HA ASN A 30 -7.659 1.240 2.206 1.00 15.00 H new ATOM 0 HB2 ASN A 30 -8.775 0.182 4.043 1.00 15.00 H new ATOM 0 HB3 ASN A 30 -7.216 -0.574 3.777 1.00 15.00 H new ATOM 0 HD21 ASN A 30 -5.915 0.152 6.974 1.00 15.00 H new ATOM 0 HD22 ASN A 30 -5.575 -0.416 5.336 1.00 15.00 H new ATOM 361 N HIS A 31 -8.767 3.358 2.755 1.00 15.00 N ATOM 362 CA HIS A 31 -9.375 4.662 2.999 1.00 15.00 C ATOM 363 C HIS A 31 -10.639 4.553 3.850 1.00 15.00 C ATOM 364 O HIS A 31 -11.289 5.558 4.129 1.00 15.00 O ATOM 365 CB HIS A 31 -9.676 5.379 1.673 1.00 15.00 C ATOM 366 CG HIS A 31 -10.511 4.592 0.703 1.00 15.00 C ATOM 367 ND1 HIS A 31 -10.093 4.301 -0.579 1.00 15.00 N ATOM 368 CD2 HIS A 31 -11.744 4.041 0.824 1.00 15.00 C ATOM 369 CE1 HIS A 31 -11.027 3.606 -1.199 1.00 15.00 C ATOM 370 NE2 HIS A 31 -12.036 3.435 -0.369 1.00 15.00 N ATOM 0 H HIS A 31 -9.034 2.925 1.871 1.00 15.00 H new ATOM 0 HA HIS A 31 -8.654 5.255 3.561 1.00 15.00 H new ATOM 0 HB2 HIS A 31 -10.187 6.317 1.892 1.00 15.00 H new ATOM 0 HB3 HIS A 31 -8.732 5.635 1.193 1.00 15.00 H new ATOM 0 HD2 HIS A 31 -12.378 4.074 1.698 1.00 15.00 H new ATOM 0 HE1 HIS A 31 -10.974 3.240 -2.214 1.00 15.00 H new ATOM 0 HE2 HIS A 31 -12.897 2.932 -0.581 1.00 15.00 H new ATOM 379 N ILE A 32 -10.982 3.342 4.274 1.00 15.00 N ATOM 380 CA ILE A 32 -12.154 3.151 5.118 1.00 15.00 C ATOM 381 C ILE A 32 -11.801 3.339 6.593 1.00 15.00 C ATOM 382 O ILE A 32 -12.417 4.149 7.280 1.00 15.00 O ATOM 383 CB ILE A 32 -12.851 1.778 4.907 1.00 15.00 C ATOM 384 CG1 ILE A 32 -11.862 0.601 4.964 1.00 15.00 C ATOM 385 CG2 ILE A 32 -13.615 1.774 3.589 1.00 15.00 C ATOM 386 CD1 ILE A 32 -11.108 0.344 3.676 1.00 15.00 C ATOM 0 H ILE A 32 -10.472 2.488 4.050 1.00 15.00 H new ATOM 0 HA ILE A 32 -12.868 3.916 4.814 1.00 15.00 H new ATOM 0 HB ILE A 32 -13.552 1.640 5.730 1.00 15.00 H new ATOM 0 HG12 ILE A 32 -11.141 0.788 5.760 1.00 15.00 H new ATOM 0 HG13 ILE A 32 -12.409 -0.302 5.235 1.00 15.00 H new ATOM 0 HG21 ILE A 32 -14.099 0.807 3.452 1.00 15.00 H new ATOM 0 HG22 ILE A 32 -14.371 2.559 3.604 1.00 15.00 H new ATOM 0 HG23 ILE A 32 -12.922 1.953 2.766 1.00 15.00 H new ATOM 0 HD11 ILE A 32 -10.435 -0.503 3.811 1.00 15.00 H new ATOM 0 HD12 ILE A 32 -11.816 0.121 2.878 1.00 15.00 H new ATOM 0 HD13 ILE A 32 -10.529 1.229 3.411 1.00 15.00 H new ATOM 398 N THR A 33 -10.805 2.602 7.072 1.00 15.00 N ATOM 399 CA THR A 33 -10.344 2.739 8.448 1.00 15.00 C ATOM 400 C THR A 33 -9.236 3.793 8.537 1.00 15.00 C ATOM 401 O THR A 33 -8.930 4.307 9.616 1.00 15.00 O ATOM 402 CB THR A 33 -9.837 1.385 8.990 1.00 15.00 C ATOM 403 OG1 THR A 33 -10.788 0.355 8.679 1.00 15.00 O ATOM 404 CG2 THR A 33 -9.628 1.433 10.496 1.00 15.00 C ATOM 0 H THR A 33 -10.301 1.903 6.527 1.00 15.00 H new ATOM 0 HA THR A 33 -11.186 3.063 9.060 1.00 15.00 H new ATOM 0 HB THR A 33 -8.879 1.170 8.516 1.00 15.00 H new ATOM 0 HG1 THR A 33 -10.464 -0.504 9.022 1.00 15.00 H new ATOM 0 HG21 THR A 33 -9.271 0.464 10.845 1.00 15.00 H new ATOM 0 HG22 THR A 33 -8.891 2.199 10.737 1.00 15.00 H new ATOM 0 HG23 THR A 33 -10.572 1.670 10.987 1.00 15.00 H new ATOM 412 N ASN A 34 -8.664 4.118 7.376 1.00 15.00 N ATOM 413 CA ASN A 34 -7.578 5.094 7.255 1.00 15.00 C ATOM 414 C ASN A 34 -6.284 4.529 7.834 1.00 15.00 C ATOM 415 O ASN A 34 -5.899 4.838 8.962 1.00 15.00 O ATOM 416 CB ASN A 34 -7.932 6.435 7.920 1.00 15.00 C ATOM 417 CG ASN A 34 -6.921 7.528 7.616 1.00 15.00 C ATOM 418 OD1 ASN A 34 -6.336 7.569 6.536 1.00 15.00 O ATOM 419 ND2 ASN A 34 -6.708 8.425 8.568 1.00 15.00 N ATOM 0 H ASN A 34 -8.944 3.708 6.485 1.00 15.00 H new ATOM 0 HA ASN A 34 -7.431 5.289 6.193 1.00 15.00 H new ATOM 0 HB2 ASN A 34 -8.918 6.754 7.582 1.00 15.00 H new ATOM 0 HB3 ASN A 34 -7.995 6.295 8.999 1.00 15.00 H new ATOM 0 HD21 ASN A 34 -6.040 9.181 8.416 1.00 15.00 H new ATOM 0 HD22 ASN A 34 -7.212 8.360 9.452 1.00 15.00 H new ATOM 426 N ALA A 35 -5.666 3.624 7.083 1.00 15.00 N ATOM 427 CA ALA A 35 -4.399 3.023 7.475 1.00 15.00 C ATOM 428 C ALA A 35 -3.585 2.644 6.242 1.00 15.00 C ATOM 429 O ALA A 35 -4.122 2.078 5.290 1.00 15.00 O ATOM 430 CB ALA A 35 -4.631 1.800 8.352 1.00 15.00 C ATOM 0 H ALA A 35 -6.028 3.289 6.190 1.00 15.00 H new ATOM 0 HA ALA A 35 -3.837 3.758 8.052 1.00 15.00 H new ATOM 0 HB1 ALA A 35 -3.671 1.367 8.633 1.00 15.00 H new ATOM 0 HB2 ALA A 35 -5.174 2.094 9.250 1.00 15.00 H new ATOM 0 HB3 ALA A 35 -5.214 1.062 7.801 1.00 15.00 H new ATOM 436 N SER A 36 -2.299 2.948 6.258 1.00 15.00 N ATOM 437 CA SER A 36 -1.426 2.622 5.140 1.00 15.00 C ATOM 438 C SER A 36 -0.584 1.397 5.470 1.00 15.00 C ATOM 439 O SER A 36 0.137 1.382 6.468 1.00 15.00 O ATOM 440 CB SER A 36 -0.518 3.810 4.812 1.00 15.00 C ATOM 441 OG SER A 36 0.291 3.542 3.679 1.00 15.00 O ATOM 0 H SER A 36 -1.834 3.421 7.033 1.00 15.00 H new ATOM 0 HA SER A 36 -2.043 2.401 4.269 1.00 15.00 H new ATOM 0 HB2 SER A 36 -1.126 4.695 4.626 1.00 15.00 H new ATOM 0 HB3 SER A 36 0.116 4.034 5.670 1.00 15.00 H new ATOM 0 HG SER A 36 0.859 4.318 3.492 1.00 15.00 H new ATOM 447 N GLN A 37 -0.676 0.368 4.640 1.00 15.00 N ATOM 448 CA GLN A 37 0.107 -0.832 4.860 1.00 15.00 C ATOM 449 C GLN A 37 1.427 -0.751 4.088 1.00 15.00 C ATOM 450 O GLN A 37 1.509 -0.104 3.064 1.00 15.00 O ATOM 451 CB GLN A 37 -0.684 -2.097 4.486 1.00 15.00 C ATOM 452 CG GLN A 37 -0.656 -2.470 3.012 1.00 15.00 C ATOM 453 CD GLN A 37 -0.877 -3.958 2.792 1.00 15.00 C ATOM 454 OE1 GLN A 37 -1.226 -4.393 1.699 1.00 15.00 O ATOM 455 NE2 GLN A 37 -0.707 -4.750 3.841 1.00 15.00 N ATOM 0 H GLN A 37 -1.279 0.342 3.818 1.00 15.00 H new ATOM 0 HA GLN A 37 0.335 -0.901 5.924 1.00 15.00 H new ATOM 0 HB2 GLN A 37 -0.292 -2.934 5.063 1.00 15.00 H new ATOM 0 HB3 GLN A 37 -1.722 -1.959 4.789 1.00 15.00 H new ATOM 0 HG2 GLN A 37 -1.425 -1.908 2.482 1.00 15.00 H new ATOM 0 HG3 GLN A 37 0.303 -2.180 2.584 1.00 15.00 H new ATOM 0 HE21 GLN A 37 -0.416 -4.356 4.736 1.00 15.00 H new ATOM 0 HE22 GLN A 37 -0.867 -5.754 3.754 1.00 15.00 H new ATOM 464 N TRP A 38 2.433 -1.399 4.633 1.00 15.00 N ATOM 465 CA TRP A 38 3.799 -1.488 4.087 1.00 15.00 C ATOM 466 C TRP A 38 3.953 -2.591 3.022 1.00 15.00 C ATOM 467 O TRP A 38 4.985 -2.737 2.378 1.00 15.00 O ATOM 468 CB TRP A 38 4.792 -1.685 5.214 1.00 15.00 C ATOM 469 CG TRP A 38 5.342 -0.412 5.783 1.00 15.00 C ATOM 470 CD1 TRP A 38 5.113 0.155 7.002 1.00 15.00 C ATOM 471 CD2 TRP A 38 6.228 0.459 5.114 1.00 15.00 C ATOM 472 NE1 TRP A 38 5.910 1.260 7.160 1.00 15.00 N ATOM 473 CE2 TRP A 38 6.589 1.467 5.996 1.00 15.00 C ATOM 474 CE3 TRP A 38 6.776 0.456 3.853 1.00 15.00 C ATOM 475 CZ2 TRP A 38 7.484 2.443 5.624 1.00 15.00 C ATOM 476 CZ3 TRP A 38 7.624 1.409 3.478 1.00 15.00 C ATOM 477 CH2 TRP A 38 7.984 2.383 4.346 1.00 15.00 C ATOM 0 H TRP A 38 2.332 -1.908 5.511 1.00 15.00 H new ATOM 0 HA TRP A 38 4.005 -0.546 3.579 1.00 15.00 H new ATOM 0 HB2 TRP A 38 4.309 -2.247 6.013 1.00 15.00 H new ATOM 0 HB3 TRP A 38 5.620 -2.294 4.851 1.00 15.00 H new ATOM 0 HD1 TRP A 38 4.409 -0.212 7.734 1.00 15.00 H new ATOM 0 HE1 TRP A 38 5.982 1.829 8.003 1.00 15.00 H new ATOM 0 HE3 TRP A 38 6.515 -0.329 3.159 1.00 15.00 H new ATOM 0 HZ2 TRP A 38 7.781 3.224 6.308 1.00 15.00 H new ATOM 0 HZ3 TRP A 38 8.027 1.406 2.476 1.00 15.00 H new ATOM 0 HH2 TRP A 38 8.687 3.137 4.024 1.00 15.00 H new ATOM 488 N GLU A 39 2.913 -3.361 2.898 1.00 15.00 N ATOM 489 CA GLU A 39 2.917 -4.758 2.454 1.00 15.00 C ATOM 490 C GLU A 39 2.436 -4.861 1.013 1.00 15.00 C ATOM 491 O GLU A 39 2.129 -3.856 0.406 1.00 15.00 O ATOM 492 CB GLU A 39 2.069 -5.660 3.355 1.00 15.00 C ATOM 493 CG GLU A 39 2.602 -5.838 4.772 1.00 15.00 C ATOM 494 CD GLU A 39 2.358 -4.636 5.662 1.00 15.00 C ATOM 495 OE1 GLU A 39 1.190 -4.218 5.804 1.00 15.00 O ATOM 496 OE2 GLU A 39 3.329 -4.123 6.249 1.00 15.00 O1- ATOM 0 H GLU A 39 1.973 -3.028 3.113 1.00 15.00 H new ATOM 0 HA GLU A 39 3.947 -5.108 2.519 1.00 15.00 H new ATOM 0 HB2 GLU A 39 1.061 -5.248 3.411 1.00 15.00 H new ATOM 0 HB3 GLU A 39 1.987 -6.641 2.888 1.00 15.00 H new ATOM 0 HG2 GLU A 39 2.134 -6.714 5.221 1.00 15.00 H new ATOM 0 HG3 GLU A 39 3.673 -6.036 4.727 1.00 15.00 H new ATOM 503 N ARG A 40 2.708 -5.976 0.370 1.00 15.00 N ATOM 504 CA ARG A 40 1.883 -6.349 -0.780 1.00 15.00 C ATOM 505 C ARG A 40 1.118 -7.635 -0.474 1.00 15.00 C ATOM 506 O ARG A 40 1.709 -8.685 -0.236 1.00 15.00 O ATOM 507 CB ARG A 40 2.735 -6.499 -2.044 1.00 15.00 C ATOM 508 CG ARG A 40 1.936 -6.854 -3.290 1.00 15.00 C ATOM 509 CD ARG A 40 2.835 -6.995 -4.512 1.00 15.00 C ATOM 510 NE ARG A 40 3.812 -8.070 -4.353 1.00 15.00 N ATOM 511 CZ ARG A 40 4.689 -8.438 -5.289 1.00 15.00 C ATOM 512 NH1 ARG A 40 4.715 -7.821 -6.463 1.00 15.00 N1+ ATOM 513 NH2 ARG A 40 5.541 -9.426 -5.039 1.00 15.00 N ATOM 0 H ARG A 40 3.461 -6.624 0.603 1.00 15.00 H new ATOM 0 HA ARG A 40 1.163 -5.552 -0.967 1.00 15.00 H new ATOM 0 HB2 ARG A 40 3.271 -5.566 -2.222 1.00 15.00 H new ATOM 0 HB3 ARG A 40 3.486 -7.271 -1.874 1.00 15.00 H new ATOM 0 HG2 ARG A 40 1.398 -7.787 -3.124 1.00 15.00 H new ATOM 0 HG3 ARG A 40 1.188 -6.083 -3.475 1.00 15.00 H new ATOM 0 HD2 ARG A 40 2.222 -7.190 -5.392 1.00 15.00 H new ATOM 0 HD3 ARG A 40 3.357 -6.054 -4.688 1.00 15.00 H new ATOM 0 HE ARG A 40 3.824 -8.573 -3.466 1.00 15.00 H new ATOM 0 HH11 ARG A 40 4.062 -7.061 -6.654 1.00 15.00 H new ATOM 0 HH12 ARG A 40 5.388 -8.107 -7.175 1.00 15.00 H new ATOM 0 HH21 ARG A 40 5.523 -9.899 -4.135 1.00 15.00 H new ATOM 0 HH22 ARG A 40 6.214 -9.712 -5.751 1.00 15.00 H new ATOM 527 N PRO A 41 -0.223 -7.542 -0.498 1.00 15.00 N ATOM 528 CA PRO A 41 -1.138 -8.628 -0.084 1.00 15.00 C ATOM 529 C PRO A 41 -1.189 -9.792 -1.070 1.00 15.00 C ATOM 530 O PRO A 41 -1.784 -10.832 -0.790 1.00 15.00 O ATOM 531 CB PRO A 41 -2.495 -7.920 -0.051 1.00 15.00 C ATOM 532 CG PRO A 41 -2.365 -6.889 -1.109 1.00 15.00 C ATOM 533 CD PRO A 41 -0.980 -6.349 -0.934 1.00 15.00 C ATOM 0 HA PRO A 41 -0.825 -9.080 0.857 1.00 15.00 H new ATOM 0 HB2 PRO A 41 -3.314 -8.609 -0.259 1.00 15.00 H new ATOM 0 HB3 PRO A 41 -2.693 -7.474 0.924 1.00 15.00 H new ATOM 0 HG2 PRO A 41 -2.502 -7.319 -2.101 1.00 15.00 H new ATOM 0 HG3 PRO A 41 -3.114 -6.106 -0.995 1.00 15.00 H new ATOM 0 HD2 PRO A 41 -0.586 -5.935 -1.862 1.00 15.00 H new ATOM 0 HD3 PRO A 41 -0.946 -5.553 -0.190 1.00 15.00 H new ATOM 607 N PRO B 177 -2.339 9.741 1.059 1.00 15.00 N ATOM 608 CA PRO B 177 -1.421 8.610 1.167 1.00 15.00 C ATOM 609 C PRO B 177 -0.435 8.520 0.013 1.00 15.00 C ATOM 610 O PRO B 177 -0.858 8.405 -1.129 1.00 15.00 O ATOM 611 CB PRO B 177 -2.346 7.382 1.080 1.00 15.00 C ATOM 612 CG PRO B 177 -3.700 7.875 0.663 1.00 15.00 C ATOM 613 CD PRO B 177 -3.618 9.356 0.437 1.00 15.00 C ATOM 0 HA PRO B 177 -0.827 8.694 2.077 1.00 15.00 H new ATOM 0 HB2 PRO B 177 -1.961 6.660 0.360 1.00 15.00 H new ATOM 0 HB3 PRO B 177 -2.401 6.873 2.042 1.00 15.00 H new ATOM 0 HG2 PRO B 177 -4.023 7.370 -0.247 1.00 15.00 H new ATOM 0 HG3 PRO B 177 -4.439 7.649 1.432 1.00 15.00 H new ATOM 0 HD2 PRO B 177 -3.634 9.599 -0.625 1.00 15.00 H new ATOM 0 HD3 PRO B 177 -4.458 9.877 0.896 1.00 15.00 H new ATOM 621 N GLU B 178 0.858 8.734 0.290 1.00 15.00 N ATOM 622 CA GLU B 178 1.931 8.135 -0.518 1.00 15.00 C ATOM 623 C GLU B 178 3.186 7.914 0.340 1.00 15.00 C ATOM 624 O GLU B 178 3.424 8.686 1.269 1.00 15.00 O ATOM 625 CB GLU B 178 2.261 8.961 -1.774 1.00 15.00 C ATOM 626 CG GLU B 178 2.531 8.136 -3.005 1.00 15.00 C ATOM 627 CD GLU B 178 3.071 8.953 -4.162 1.00 15.00 C ATOM 628 OE1 GLU B 178 2.512 10.029 -4.455 1.00 15.00 O1- ATOM 629 OE2 GLU B 178 4.059 8.519 -4.789 1.00 15.00 O ATOM 0 H GLU B 178 1.186 9.314 1.062 1.00 15.00 H new ATOM 0 HA GLU B 178 1.567 7.170 -0.870 1.00 15.00 H new ATOM 0 HB2 GLU B 178 1.431 9.637 -1.979 1.00 15.00 H new ATOM 0 HB3 GLU B 178 3.133 9.581 -1.568 1.00 15.00 H new ATOM 0 HG2 GLU B 178 3.245 7.350 -2.759 1.00 15.00 H new ATOM 0 HG3 GLU B 178 1.609 7.644 -3.315 1.00 15.00 H new ATOM 653 N PRO B 180 5.300 5.531 2.620 1.00 15.00 N ATOM 654 CA PRO B 180 5.259 5.355 4.088 1.00 15.00 C ATOM 655 C PRO B 180 6.605 5.551 4.838 1.00 15.00 C ATOM 656 O PRO B 180 6.563 5.869 6.026 1.00 15.00 O ATOM 657 CB PRO B 180 4.889 3.870 4.298 1.00 15.00 C ATOM 658 CG PRO B 180 5.125 3.195 2.992 1.00 15.00 C ATOM 659 CD PRO B 180 5.271 4.245 1.922 1.00 15.00 C ATOM 0 HA PRO B 180 4.573 6.106 4.480 1.00 15.00 H new ATOM 0 HB2 PRO B 180 5.500 3.424 5.083 1.00 15.00 H new ATOM 0 HB3 PRO B 180 3.849 3.768 4.607 1.00 15.00 H new ATOM 0 HG2 PRO B 180 6.023 2.580 3.042 1.00 15.00 H new ATOM 0 HG3 PRO B 180 4.295 2.529 2.756 1.00 15.00 H new ATOM 0 HD2 PRO B 180 6.185 4.092 1.348 1.00 15.00 H new ATOM 0 HD3 PRO B 180 4.440 4.202 1.217 1.00 15.00 H new ATOM 667 N PRO B 181 7.813 5.329 4.201 1.00 15.00 N ATOM 668 CA PRO B 181 9.024 4.911 4.930 1.00 15.00 C ATOM 669 C PRO B 181 9.292 5.731 6.203 1.00 15.00 C ATOM 670 O PRO B 181 9.238 6.964 6.166 1.00 15.00 O ATOM 671 CB PRO B 181 10.170 5.127 3.928 1.00 15.00 C ATOM 672 CG PRO B 181 9.578 5.940 2.840 1.00 15.00 C ATOM 673 CD PRO B 181 8.146 5.523 2.784 1.00 15.00 C ATOM 0 HA PRO B 181 8.919 3.882 5.272 1.00 15.00 H new ATOM 0 HB2 PRO B 181 11.010 5.642 4.394 1.00 15.00 H new ATOM 0 HB3 PRO B 181 10.549 4.177 3.550 1.00 15.00 H new ATOM 0 HG2 PRO B 181 9.671 7.006 3.048 1.00 15.00 H new ATOM 0 HG3 PRO B 181 10.081 5.755 1.891 1.00 15.00 H new ATOM 0 HD2 PRO B 181 7.520 6.286 2.321 1.00 15.00 H new ATOM 0 HD3 PRO B 181 8.013 4.608 2.207 1.00 15.00 H new