USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=8 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 Set 1.1: A 30 ASN : amide:sc= 0.863 K(o=1.6,f=-5.8!) USER MOD Set 1.2: A 33 THR OG1 : rot 70:sc= 0.775 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 164:sc= -0.0523 (180deg=-0.41) USER MOD Single : A 20 SER OG : rot 82:sc= -0.0515 USER MOD Single : A 22 SER OG : rot 124:sc= -2.11! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 19:sc= -1.88! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.6!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -6.83! C(o=-6.8!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 14 -11.042 -1.472 -0.676 1.00 15.00 N ATOM 73 CA GLY A 14 -10.615 -0.343 0.122 1.00 15.00 C ATOM 74 C GLY A 14 -9.193 0.065 -0.196 1.00 15.00 C ATOM 75 O GLY A 14 -8.532 0.705 0.608 1.00 15.00 O ATOM 0 HA2 GLY A 14 -11.283 0.500 -0.054 1.00 15.00 H new ATOM 0 HA3 GLY A 14 -10.693 -0.595 1.180 1.00 15.00 H new ATOM 79 N TRP A 15 -8.753 -0.268 -1.394 1.00 15.00 N ATOM 80 CA TRP A 15 -7.376 -0.056 -1.815 1.00 15.00 C ATOM 81 C TRP A 15 -7.104 1.311 -2.470 1.00 15.00 C ATOM 82 O TRP A 15 -7.725 1.687 -3.466 1.00 15.00 O ATOM 83 CB TRP A 15 -6.949 -1.171 -2.773 1.00 15.00 C ATOM 84 CG TRP A 15 -6.302 -2.393 -2.156 1.00 15.00 C ATOM 85 CD1 TRP A 15 -6.213 -3.636 -2.717 1.00 15.00 C ATOM 86 CD2 TRP A 15 -5.576 -2.466 -0.918 1.00 15.00 C ATOM 87 NE1 TRP A 15 -5.401 -4.447 -1.955 1.00 15.00 N ATOM 88 CE2 TRP A 15 -5.011 -3.760 -0.836 1.00 15.00 C ATOM 89 CE3 TRP A 15 -5.330 -1.565 0.115 1.00 15.00 C ATOM 90 CZ2 TRP A 15 -4.198 -4.153 0.236 1.00 15.00 C ATOM 91 CZ3 TRP A 15 -4.554 -1.966 1.177 1.00 15.00 C ATOM 92 CH2 TRP A 15 -3.987 -3.240 1.223 1.00 15.00 C ATOM 0 H TRP A 15 -9.342 -0.696 -2.109 1.00 15.00 H new ATOM 0 HA TRP A 15 -6.786 -0.072 -0.899 1.00 15.00 H new ATOM 0 HB2 TRP A 15 -7.829 -1.497 -3.328 1.00 15.00 H new ATOM 0 HB3 TRP A 15 -6.253 -0.748 -3.498 1.00 15.00 H new ATOM 0 HD1 TRP A 15 -6.708 -3.939 -3.628 1.00 15.00 H new ATOM 0 HE1 TRP A 15 -5.134 -5.404 -2.186 1.00 15.00 H new ATOM 0 HE3 TRP A 15 -5.742 -0.567 0.083 1.00 15.00 H new ATOM 0 HZ2 TRP A 15 -3.758 -5.138 0.277 1.00 15.00 H new ATOM 0 HZ3 TRP A 15 -4.380 -1.280 1.993 1.00 15.00 H new ATOM 0 HH2 TRP A 15 -3.364 -3.509 2.064 1.00 15.00 H new ATOM 103 N GLU A 16 -6.158 2.036 -1.865 1.00 15.00 N ATOM 104 CA GLU A 16 -5.523 3.225 -2.449 1.00 15.00 C ATOM 105 C GLU A 16 -4.080 2.852 -2.814 1.00 15.00 C ATOM 106 O GLU A 16 -3.259 2.594 -1.929 1.00 15.00 O ATOM 107 CB GLU A 16 -5.546 4.394 -1.431 1.00 15.00 C ATOM 108 CG GLU A 16 -4.827 5.667 -1.861 1.00 15.00 C ATOM 109 CD GLU A 16 -5.156 6.071 -3.283 1.00 15.00 C ATOM 110 OE1 GLU A 16 -6.307 6.493 -3.537 1.00 15.00 O ATOM 111 OE2 GLU A 16 -4.272 5.966 -4.155 1.00 15.00 O1- ATOM 0 H GLU A 16 -5.804 1.809 -0.936 1.00 15.00 H new ATOM 0 HA GLU A 16 -6.061 3.550 -3.339 1.00 15.00 H new ATOM 0 HB2 GLU A 16 -6.585 4.642 -1.216 1.00 15.00 H new ATOM 0 HB3 GLU A 16 -5.102 4.046 -0.498 1.00 15.00 H new ATOM 0 HG2 GLU A 16 -5.097 6.478 -1.185 1.00 15.00 H new ATOM 0 HG3 GLU A 16 -3.751 5.521 -1.769 1.00 15.00 H new ATOM 118 N LYS A 17 -3.777 2.796 -4.107 1.00 15.00 N ATOM 119 CA LYS A 17 -2.534 2.175 -4.568 1.00 15.00 C ATOM 120 C LYS A 17 -1.458 3.200 -4.898 1.00 15.00 C ATOM 121 O LYS A 17 -1.602 3.979 -5.841 1.00 15.00 O ATOM 122 CB LYS A 17 -2.813 1.306 -5.804 1.00 15.00 C ATOM 123 CG LYS A 17 -1.719 0.292 -6.113 1.00 15.00 C ATOM 124 CD LYS A 17 -0.683 0.838 -7.082 1.00 15.00 C ATOM 125 CE LYS A 17 0.440 -0.161 -7.301 1.00 15.00 C ATOM 126 NZ LYS A 17 1.317 0.225 -8.436 1.00 15.00 N1+ ATOM 0 H LYS A 17 -4.367 3.169 -4.851 1.00 15.00 H new ATOM 0 HA LYS A 17 -2.159 1.559 -3.750 1.00 15.00 H new ATOM 0 HB2 LYS A 17 -3.754 0.775 -5.657 1.00 15.00 H new ATOM 0 HB3 LYS A 17 -2.946 1.956 -6.669 1.00 15.00 H new ATOM 0 HG2 LYS A 17 -1.227 -0.002 -5.186 1.00 15.00 H new ATOM 0 HG3 LYS A 17 -2.169 -0.607 -6.534 1.00 15.00 H new ATOM 0 HD2 LYS A 17 -1.158 1.070 -8.035 1.00 15.00 H new ATOM 0 HD3 LYS A 17 -0.274 1.771 -6.694 1.00 15.00 H new ATOM 0 HE2 LYS A 17 1.037 -0.240 -6.392 1.00 15.00 H new ATOM 0 HE3 LYS A 17 0.016 -1.147 -7.490 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 2.069 -0.484 -8.550 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 0.753 0.275 -9.309 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 1.743 1.154 -8.245 1.00 15.00 H new ATOM 140 N ARG A 18 -0.378 3.206 -4.122 1.00 15.00 N ATOM 141 CA ARG A 18 0.799 3.986 -4.478 1.00 15.00 C ATOM 142 C ARG A 18 2.015 3.260 -3.905 1.00 15.00 C ATOM 143 O ARG A 18 2.002 2.810 -2.766 1.00 15.00 O ATOM 144 CB ARG A 18 0.614 5.429 -3.958 1.00 15.00 C ATOM 145 CG ARG A 18 1.699 6.471 -4.280 1.00 15.00 C ATOM 146 CD ARG A 18 2.238 6.328 -5.693 1.00 15.00 C ATOM 147 NE ARG A 18 1.162 6.379 -6.685 1.00 15.00 N ATOM 148 CZ ARG A 18 1.351 6.438 -8.001 1.00 15.00 C ATOM 149 NH1 ARG A 18 2.577 6.538 -8.500 1.00 15.00 N1+ ATOM 150 NH2 ARG A 18 0.306 6.413 -8.818 1.00 15.00 N ATOM 0 H ARG A 18 -0.295 2.684 -3.250 1.00 15.00 H new ATOM 0 HA ARG A 18 0.948 4.073 -5.554 1.00 15.00 H new ATOM 0 HB2 ARG A 18 -0.332 5.804 -4.350 1.00 15.00 H new ATOM 0 HB3 ARG A 18 0.513 5.380 -2.874 1.00 15.00 H new ATOM 0 HG2 ARG A 18 1.287 7.472 -4.151 1.00 15.00 H new ATOM 0 HG3 ARG A 18 2.519 6.369 -3.569 1.00 15.00 H new ATOM 0 HD2 ARG A 18 2.956 7.124 -5.892 1.00 15.00 H new ATOM 0 HD3 ARG A 18 2.775 5.384 -5.785 1.00 15.00 H new ATOM 0 HE ARG A 18 0.201 6.369 -6.344 1.00 15.00 H new ATOM 0 HH11 ARG A 18 3.381 6.570 -7.874 1.00 15.00 H new ATOM 0 HH12 ARG A 18 2.715 6.583 -9.510 1.00 15.00 H new ATOM 0 HH21 ARG A 18 -0.638 6.349 -8.437 1.00 15.00 H new ATOM 0 HH22 ARG A 18 0.447 6.458 -9.827 1.00 15.00 H new ATOM 164 N MET A 19 3.052 3.100 -4.699 1.00 15.00 N ATOM 165 CA MET A 19 4.159 2.250 -4.296 1.00 15.00 C ATOM 166 C MET A 19 5.188 3.061 -3.536 1.00 15.00 C ATOM 167 O MET A 19 5.409 4.233 -3.844 1.00 15.00 O ATOM 168 CB MET A 19 4.798 1.597 -5.526 1.00 15.00 C ATOM 169 CG MET A 19 5.846 0.545 -5.190 1.00 15.00 C ATOM 170 SD MET A 19 6.519 -0.265 -6.654 1.00 15.00 S ATOM 171 CE MET A 19 7.347 1.107 -7.456 1.00 15.00 C ATOM 0 H MET A 19 3.155 3.538 -5.614 1.00 15.00 H new ATOM 0 HA MET A 19 3.781 1.465 -3.642 1.00 15.00 H new ATOM 0 HB2 MET A 19 4.015 1.137 -6.129 1.00 15.00 H new ATOM 0 HB3 MET A 19 5.258 2.372 -6.139 1.00 15.00 H new ATOM 0 HG2 MET A 19 6.658 1.013 -4.634 1.00 15.00 H new ATOM 0 HG3 MET A 19 5.403 -0.206 -4.536 1.00 15.00 H new ATOM 0 HE1 MET A 19 8.039 0.726 -8.207 1.00 15.00 H new ATOM 0 HE2 MET A 19 6.607 1.748 -7.936 1.00 15.00 H new ATOM 0 HE3 MET A 19 7.899 1.683 -6.713 1.00 15.00 H new ATOM 181 N SER A 20 5.844 2.427 -2.576 1.00 15.00 N ATOM 182 CA SER A 20 6.839 3.108 -1.783 1.00 15.00 C ATOM 183 C SER A 20 8.173 2.958 -2.475 1.00 15.00 C ATOM 184 O SER A 20 8.756 1.861 -2.523 1.00 15.00 O ATOM 185 CB SER A 20 6.913 2.523 -0.372 1.00 15.00 C ATOM 186 OG SER A 20 5.618 2.231 0.126 1.00 15.00 O ATOM 0 H SER A 20 5.702 1.447 -2.333 1.00 15.00 H new ATOM 0 HA SER A 20 6.572 4.161 -1.689 1.00 15.00 H new ATOM 0 HB2 SER A 20 7.516 1.615 -0.382 1.00 15.00 H new ATOM 0 HB3 SER A 20 7.411 3.229 0.292 1.00 15.00 H new ATOM 0 HG SER A 20 5.320 1.366 -0.226 1.00 15.00 H new ATOM 192 N ARG A 21 8.610 4.076 -3.038 1.00 15.00 N ATOM 193 CA ARG A 21 9.782 4.142 -3.898 1.00 15.00 C ATOM 194 C ARG A 21 11.047 3.839 -3.109 1.00 15.00 C ATOM 195 O ARG A 21 12.106 3.559 -3.674 1.00 15.00 O ATOM 196 CB ARG A 21 9.874 5.547 -4.488 1.00 15.00 C ATOM 197 CG ARG A 21 8.550 6.088 -5.005 1.00 15.00 C ATOM 198 CD ARG A 21 8.602 7.599 -5.120 1.00 15.00 C ATOM 199 NE ARG A 21 8.906 8.211 -3.826 1.00 15.00 N ATOM 200 CZ ARG A 21 9.397 9.435 -3.664 1.00 15.00 C ATOM 201 NH1 ARG A 21 9.591 10.226 -4.710 1.00 15.00 N1+ ATOM 202 NH2 ARG A 21 9.694 9.860 -2.444 1.00 15.00 N ATOM 0 H ARG A 21 8.152 4.978 -2.907 1.00 15.00 H new ATOM 0 HA ARG A 21 9.687 3.401 -4.691 1.00 15.00 H new ATOM 0 HB2 ARG A 21 10.260 6.225 -3.727 1.00 15.00 H new ATOM 0 HB3 ARG A 21 10.596 5.541 -5.305 1.00 15.00 H new ATOM 0 HG2 ARG A 21 8.327 5.651 -5.978 1.00 15.00 H new ATOM 0 HG3 ARG A 21 7.744 5.796 -4.332 1.00 15.00 H new ATOM 0 HD2 ARG A 21 9.359 7.886 -5.850 1.00 15.00 H new ATOM 0 HD3 ARG A 21 7.647 7.973 -5.488 1.00 15.00 H new ATOM 0 HE ARG A 21 8.728 7.658 -2.988 1.00 15.00 H new ATOM 0 HH11 ARG A 21 9.363 9.896 -5.648 1.00 15.00 H new ATOM 0 HH12 ARG A 21 9.968 11.164 -4.577 1.00 15.00 H new ATOM 0 HH21 ARG A 21 9.545 9.249 -1.641 1.00 15.00 H new ATOM 0 HH22 ARG A 21 10.071 10.798 -2.308 1.00 15.00 H new ATOM 216 N SER A 22 10.915 3.922 -1.802 1.00 15.00 N ATOM 217 CA SER A 22 12.013 3.728 -0.884 1.00 15.00 C ATOM 218 C SER A 22 12.519 2.283 -0.885 1.00 15.00 C ATOM 219 O SER A 22 13.455 1.937 -1.608 1.00 15.00 O ATOM 220 CB SER A 22 11.530 4.122 0.504 1.00 15.00 C ATOM 221 OG SER A 22 10.202 3.662 0.705 1.00 15.00 O ATOM 0 H SER A 22 10.028 4.129 -1.343 1.00 15.00 H new ATOM 0 HA SER A 22 12.854 4.348 -1.195 1.00 15.00 H new ATOM 0 HB2 SER A 22 12.189 3.698 1.261 1.00 15.00 H new ATOM 0 HB3 SER A 22 11.569 5.205 0.618 1.00 15.00 H new ATOM 0 HG SER A 22 10.169 3.099 1.506 1.00 15.00 H new ATOM 227 N SER A 23 11.861 1.435 -0.107 1.00 15.00 N ATOM 228 CA SER A 23 12.322 0.070 0.105 1.00 15.00 C ATOM 229 C SER A 23 11.829 -0.884 -0.989 1.00 15.00 C ATOM 230 O SER A 23 12.266 -2.032 -1.059 1.00 15.00 O ATOM 231 CB SER A 23 11.854 -0.424 1.476 1.00 15.00 C ATOM 232 OG SER A 23 12.140 0.516 2.499 1.00 15.00 O ATOM 0 H SER A 23 11.002 1.670 0.390 1.00 15.00 H new ATOM 0 HA SER A 23 13.411 0.079 0.063 1.00 15.00 H new ATOM 0 HB2 SER A 23 10.781 -0.615 1.447 1.00 15.00 H new ATOM 0 HB3 SER A 23 12.340 -1.372 1.707 1.00 15.00 H new ATOM 0 HG SER A 23 11.826 0.168 3.360 1.00 15.00 H new ATOM 238 N GLY A 24 10.917 -0.414 -1.835 1.00 15.00 N ATOM 239 CA GLY A 24 10.341 -1.282 -2.849 1.00 15.00 C ATOM 240 C GLY A 24 9.239 -2.147 -2.271 1.00 15.00 C ATOM 241 O GLY A 24 9.314 -3.375 -2.291 1.00 15.00 O ATOM 0 H GLY A 24 10.568 0.544 -1.838 1.00 15.00 H new ATOM 0 HA2 GLY A 24 9.943 -0.678 -3.664 1.00 15.00 H new ATOM 0 HA3 GLY A 24 11.120 -1.916 -3.273 1.00 15.00 H new ATOM 245 N ARG A 25 8.221 -1.490 -1.745 1.00 15.00 N ATOM 246 CA ARG A 25 7.135 -2.159 -1.028 1.00 15.00 C ATOM 247 C ARG A 25 5.871 -1.333 -1.217 1.00 15.00 C ATOM 248 O ARG A 25 5.985 -0.118 -1.369 1.00 15.00 O ATOM 249 CB ARG A 25 7.526 -2.280 0.449 1.00 15.00 C ATOM 250 CG ARG A 25 7.833 -0.984 1.125 1.00 15.00 C ATOM 251 CD ARG A 25 8.810 -1.241 2.261 1.00 15.00 C ATOM 252 NE ARG A 25 8.286 -2.213 3.221 1.00 15.00 N ATOM 253 CZ ARG A 25 9.023 -2.813 4.156 1.00 15.00 C ATOM 254 NH1 ARG A 25 10.319 -2.537 4.274 1.00 15.00 N1+ ATOM 255 NH2 ARG A 25 8.460 -3.693 4.974 1.00 15.00 N ATOM 0 H ARG A 25 8.118 -0.477 -1.800 1.00 15.00 H new ATOM 0 HA ARG A 25 6.953 -3.164 -1.409 1.00 15.00 H new ATOM 0 HB2 ARG A 25 6.714 -2.770 0.986 1.00 15.00 H new ATOM 0 HB3 ARG A 25 8.398 -2.930 0.527 1.00 15.00 H new ATOM 0 HG2 ARG A 25 8.261 -0.279 0.412 1.00 15.00 H new ATOM 0 HG3 ARG A 25 6.918 -0.533 1.509 1.00 15.00 H new ATOM 0 HD2 ARG A 25 9.753 -1.605 1.854 1.00 15.00 H new ATOM 0 HD3 ARG A 25 9.025 -0.304 2.774 1.00 15.00 H new ATOM 0 HE ARG A 25 7.294 -2.446 3.172 1.00 15.00 H new ATOM 0 HH11 ARG A 25 10.756 -1.862 3.646 1.00 15.00 H new ATOM 0 HH12 ARG A 25 10.876 -3.000 4.992 1.00 15.00 H new ATOM 0 HH21 ARG A 25 7.467 -3.908 4.886 1.00 15.00 H new ATOM 0 HH22 ARG A 25 9.020 -4.154 5.691 1.00 15.00 H new ATOM 269 N VAL A 26 4.663 -1.911 -1.220 1.00 15.00 N ATOM 270 CA VAL A 26 3.552 -1.104 -1.616 1.00 15.00 C ATOM 271 C VAL A 26 2.955 -0.502 -0.378 1.00 15.00 C ATOM 272 O VAL A 26 2.671 -1.209 0.591 1.00 15.00 O ATOM 273 CB VAL A 26 2.487 -1.906 -2.395 1.00 15.00 C ATOM 274 CG1 VAL A 26 1.373 -0.994 -2.887 1.00 15.00 C ATOM 275 CG2 VAL A 26 3.123 -2.648 -3.563 1.00 15.00 C ATOM 0 H VAL A 26 4.456 -2.877 -0.966 1.00 15.00 H new ATOM 0 HA VAL A 26 3.905 -0.328 -2.295 1.00 15.00 H new ATOM 0 HB VAL A 26 2.052 -2.639 -1.715 1.00 15.00 H new ATOM 0 HG11 VAL A 26 0.635 -1.582 -3.433 1.00 15.00 H new ATOM 0 HG12 VAL A 26 0.894 -0.512 -2.035 1.00 15.00 H new ATOM 0 HG13 VAL A 26 1.790 -0.233 -3.547 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.356 -3.207 -4.100 1.00 15.00 H new ATOM 0 HG22 VAL A 26 3.589 -1.931 -4.239 1.00 15.00 H new ATOM 0 HG23 VAL A 26 3.879 -3.337 -3.188 1.00 15.00 H new ATOM 285 N TYR A 27 2.810 0.800 -0.349 1.00 15.00 N ATOM 286 CA TYR A 27 2.025 1.337 0.700 1.00 15.00 C ATOM 287 C TYR A 27 0.631 1.347 0.100 1.00 15.00 C ATOM 288 O TYR A 27 0.326 2.033 -0.904 1.00 15.00 O ATOM 289 CB TYR A 27 2.512 2.711 1.206 1.00 15.00 C ATOM 290 CG TYR A 27 1.895 3.862 0.496 1.00 15.00 C ATOM 291 CD1 TYR A 27 0.598 4.245 0.808 1.00 15.00 C ATOM 292 CD2 TYR A 27 2.560 4.512 -0.524 1.00 15.00 C ATOM 293 CE1 TYR A 27 -0.029 5.229 0.111 1.00 15.00 C ATOM 294 CE2 TYR A 27 1.947 5.512 -1.216 1.00 15.00 C ATOM 295 CZ TYR A 27 0.642 5.858 -0.899 1.00 15.00 C ATOM 296 OH TYR A 27 0.001 6.830 -1.604 1.00 15.00 O ATOM 0 H TYR A 27 3.208 1.467 -1.010 1.00 15.00 H new ATOM 0 HA TYR A 27 2.080 0.750 1.617 1.00 15.00 H new ATOM 0 HB2 TYR A 27 2.295 2.794 2.271 1.00 15.00 H new ATOM 0 HB3 TYR A 27 3.595 2.766 1.096 1.00 15.00 H new ATOM 0 HD1 TYR A 27 0.079 3.753 1.617 1.00 15.00 H new ATOM 0 HD2 TYR A 27 3.571 4.226 -0.774 1.00 15.00 H new ATOM 0 HE1 TYR A 27 -1.044 5.510 0.352 1.00 15.00 H new ATOM 0 HE2 TYR A 27 2.472 6.031 -2.004 1.00 15.00 H new ATOM 0 HH TYR A 27 -0.769 7.153 -1.091 1.00 15.00 H new ATOM 306 N TYR A 28 -0.166 0.461 0.593 1.00 15.00 N ATOM 307 CA TYR A 28 -1.420 0.228 -0.021 1.00 15.00 C ATOM 308 C TYR A 28 -2.439 0.574 1.046 1.00 15.00 C ATOM 309 O TYR A 28 -2.593 -0.125 2.039 1.00 15.00 O ATOM 310 CB TYR A 28 -1.458 -1.232 -0.485 1.00 15.00 C ATOM 311 CG TYR A 28 -2.280 -1.476 -1.725 1.00 15.00 C ATOM 312 CD1 TYR A 28 -3.152 -0.522 -2.219 1.00 15.00 C ATOM 313 CD2 TYR A 28 -2.119 -2.654 -2.445 1.00 15.00 C ATOM 314 CE1 TYR A 28 -3.843 -0.733 -3.392 1.00 15.00 C ATOM 315 CE2 TYR A 28 -2.814 -2.877 -3.614 1.00 15.00 C ATOM 316 CZ TYR A 28 -3.672 -1.913 -4.085 1.00 15.00 C ATOM 317 OH TYR A 28 -4.358 -2.128 -5.259 1.00 15.00 O ATOM 0 H TYR A 28 0.030 -0.109 1.416 1.00 15.00 H new ATOM 0 HA TYR A 28 -1.621 0.825 -0.911 1.00 15.00 H new ATOM 0 HB2 TYR A 28 -0.437 -1.567 -0.670 1.00 15.00 H new ATOM 0 HB3 TYR A 28 -1.854 -1.846 0.324 1.00 15.00 H new ATOM 0 HD1 TYR A 28 -3.293 0.402 -1.677 1.00 15.00 H new ATOM 0 HD2 TYR A 28 -1.437 -3.408 -2.082 1.00 15.00 H new ATOM 0 HE1 TYR A 28 -4.516 0.023 -3.768 1.00 15.00 H new ATOM 0 HE2 TYR A 28 -2.685 -3.802 -4.156 1.00 15.00 H new ATOM 0 HH TYR A 28 -4.122 -3.008 -5.619 1.00 15.00 H new ATOM 327 N PHE A 29 -3.025 1.731 0.898 1.00 15.00 N ATOM 328 CA PHE A 29 -3.743 2.362 1.984 1.00 15.00 C ATOM 329 C PHE A 29 -5.230 2.097 1.900 1.00 15.00 C ATOM 330 O PHE A 29 -5.863 2.342 0.883 1.00 15.00 O ATOM 331 CB PHE A 29 -3.386 3.853 1.964 1.00 15.00 C ATOM 332 CG PHE A 29 -4.425 4.822 2.454 1.00 15.00 C ATOM 333 CD1 PHE A 29 -5.358 5.312 1.570 1.00 15.00 C ATOM 334 CD2 PHE A 29 -4.421 5.304 3.750 1.00 15.00 C ATOM 335 CE1 PHE A 29 -6.283 6.255 1.948 1.00 15.00 C ATOM 336 CE2 PHE A 29 -5.337 6.265 4.138 1.00 15.00 C ATOM 337 CZ PHE A 29 -6.268 6.738 3.229 1.00 15.00 C ATOM 0 H PHE A 29 -3.022 2.264 0.029 1.00 15.00 H new ATOM 0 HA PHE A 29 -3.446 1.939 2.944 1.00 15.00 H new ATOM 0 HB2 PHE A 29 -2.487 3.992 2.565 1.00 15.00 H new ATOM 0 HB3 PHE A 29 -3.130 4.124 0.940 1.00 15.00 H new ATOM 0 HD1 PHE A 29 -5.364 4.946 0.554 1.00 15.00 H new ATOM 0 HD2 PHE A 29 -3.700 4.929 4.462 1.00 15.00 H new ATOM 0 HE1 PHE A 29 -7.016 6.612 1.240 1.00 15.00 H new ATOM 0 HE2 PHE A 29 -5.326 6.646 5.149 1.00 15.00 H new ATOM 0 HZ PHE A 29 -6.983 7.489 3.531 1.00 15.00 H new ATOM 347 N ASN A 30 -5.789 1.598 2.982 1.00 15.00 N ATOM 348 CA ASN A 30 -7.197 1.287 3.003 1.00 15.00 C ATOM 349 C ASN A 30 -7.986 2.498 3.463 1.00 15.00 C ATOM 350 O ASN A 30 -7.939 2.887 4.624 1.00 15.00 O ATOM 351 CB ASN A 30 -7.495 0.032 3.849 1.00 15.00 C ATOM 352 CG ASN A 30 -6.798 -0.005 5.202 1.00 15.00 C ATOM 353 OD1 ASN A 30 -6.603 1.015 5.859 1.00 15.00 O ATOM 354 ND2 ASN A 30 -6.416 -1.199 5.626 1.00 15.00 N ATOM 0 H ASN A 30 -5.292 1.401 3.851 1.00 15.00 H new ATOM 0 HA ASN A 30 -7.515 1.044 1.989 1.00 15.00 H new ATOM 0 HB2 ASN A 30 -8.571 -0.035 4.008 1.00 15.00 H new ATOM 0 HB3 ASN A 30 -7.202 -0.851 3.280 1.00 15.00 H new ATOM 0 HD21 ASN A 30 -5.943 -1.294 6.525 1.00 15.00 H new ATOM 0 HD22 ASN A 30 -6.594 -2.024 5.054 1.00 15.00 H new ATOM 361 N HIS A 31 -8.690 3.112 2.517 1.00 15.00 N ATOM 362 CA HIS A 31 -9.424 4.354 2.772 1.00 15.00 C ATOM 363 C HIS A 31 -10.624 4.132 3.691 1.00 15.00 C ATOM 364 O HIS A 31 -11.344 5.072 4.020 1.00 15.00 O ATOM 365 CB HIS A 31 -9.866 5.015 1.453 1.00 15.00 C ATOM 366 CG HIS A 31 -10.579 4.107 0.490 1.00 15.00 C ATOM 367 ND1 HIS A 31 -10.179 3.946 -0.821 1.00 15.00 N ATOM 368 CD2 HIS A 31 -11.667 3.315 0.646 1.00 15.00 C ATOM 369 CE1 HIS A 31 -10.990 3.099 -1.428 1.00 15.00 C ATOM 370 NE2 HIS A 31 -11.899 2.701 -0.558 1.00 15.00 N ATOM 0 H HIS A 31 -8.770 2.769 1.560 1.00 15.00 H new ATOM 0 HA HIS A 31 -8.740 5.029 3.286 1.00 15.00 H new ATOM 0 HB2 HIS A 31 -10.520 5.855 1.687 1.00 15.00 H new ATOM 0 HB3 HIS A 31 -8.986 5.425 0.958 1.00 15.00 H new ATOM 0 HD2 HIS A 31 -12.244 3.190 1.550 1.00 15.00 H new ATOM 0 HE1 HIS A 31 -10.921 2.786 -2.459 1.00 15.00 H new ATOM 0 HE2 HIS A 31 -12.653 2.042 -0.750 1.00 15.00 H new ATOM 379 N ILE A 32 -10.830 2.891 4.105 1.00 15.00 N ATOM 380 CA ILE A 32 -11.882 2.576 5.057 1.00 15.00 C ATOM 381 C ILE A 32 -11.422 2.883 6.485 1.00 15.00 C ATOM 382 O ILE A 32 -12.056 3.661 7.193 1.00 15.00 O ATOM 383 CB ILE A 32 -12.341 1.102 4.939 1.00 15.00 C ATOM 384 CG1 ILE A 32 -11.134 0.153 4.894 1.00 15.00 C ATOM 385 CG2 ILE A 32 -13.209 0.920 3.704 1.00 15.00 C ATOM 386 CD1 ILE A 32 -11.508 -1.314 4.859 1.00 15.00 C ATOM 0 H ILE A 32 -10.283 2.087 3.797 1.00 15.00 H new ATOM 0 HA ILE A 32 -12.739 3.206 4.820 1.00 15.00 H new ATOM 0 HB ILE A 32 -12.931 0.855 5.822 1.00 15.00 H new ATOM 0 HG12 ILE A 32 -10.534 0.386 4.015 1.00 15.00 H new ATOM 0 HG13 ILE A 32 -10.507 0.337 5.766 1.00 15.00 H new ATOM 0 HG21 ILE A 32 -13.526 -0.121 3.632 1.00 15.00 H new ATOM 0 HG22 ILE A 32 -14.087 1.562 3.778 1.00 15.00 H new ATOM 0 HG23 ILE A 32 -12.638 1.188 2.815 1.00 15.00 H new ATOM 0 HD11 ILE A 32 -10.602 -1.920 4.828 1.00 15.00 H new ATOM 0 HD12 ILE A 32 -12.082 -1.565 5.751 1.00 15.00 H new ATOM 0 HD13 ILE A 32 -12.109 -1.515 3.972 1.00 15.00 H new ATOM 398 N THR A 33 -10.320 2.275 6.902 1.00 15.00 N ATOM 399 CA THR A 33 -9.742 2.543 8.210 1.00 15.00 C ATOM 400 C THR A 33 -8.731 3.688 8.151 1.00 15.00 C ATOM 401 O THR A 33 -8.328 4.223 9.184 1.00 15.00 O ATOM 402 CB THR A 33 -9.073 1.277 8.768 1.00 15.00 C ATOM 403 OG1 THR A 33 -8.603 0.468 7.681 1.00 15.00 O ATOM 404 CG2 THR A 33 -10.051 0.478 9.616 1.00 15.00 C ATOM 0 H THR A 33 -9.806 1.589 6.349 1.00 15.00 H new ATOM 0 HA THR A 33 -10.552 2.843 8.875 1.00 15.00 H new ATOM 0 HB THR A 33 -8.234 1.574 9.398 1.00 15.00 H new ATOM 0 HG1 THR A 33 -7.840 0.908 7.252 1.00 15.00 H new ATOM 0 HG21 THR A 33 -9.555 -0.414 10.000 1.00 15.00 H new ATOM 0 HG22 THR A 33 -10.394 1.090 10.450 1.00 15.00 H new ATOM 0 HG23 THR A 33 -10.905 0.184 9.006 1.00 15.00 H new ATOM 412 N ASN A 34 -8.332 4.044 6.928 1.00 15.00 N ATOM 413 CA ASN A 34 -7.379 5.131 6.674 1.00 15.00 C ATOM 414 C ASN A 34 -5.971 4.758 7.130 1.00 15.00 C ATOM 415 O ASN A 34 -5.207 5.611 7.592 1.00 15.00 O ATOM 416 CB ASN A 34 -7.836 6.435 7.335 1.00 15.00 C ATOM 417 CG ASN A 34 -8.918 7.136 6.539 1.00 15.00 C ATOM 418 OD1 ASN A 34 -10.108 6.882 6.723 1.00 15.00 O ATOM 419 ND2 ASN A 34 -8.509 8.030 5.650 1.00 15.00 N ATOM 0 H ASN A 34 -8.662 3.584 6.079 1.00 15.00 H new ATOM 0 HA ASN A 34 -7.349 5.290 5.596 1.00 15.00 H new ATOM 0 HB2 ASN A 34 -8.207 6.221 8.337 1.00 15.00 H new ATOM 0 HB3 ASN A 34 -6.981 7.102 7.447 1.00 15.00 H new ATOM 0 HD21 ASN A 34 -9.191 8.538 5.087 1.00 15.00 H new ATOM 0 HD22 ASN A 34 -7.512 8.210 5.529 1.00 15.00 H new ATOM 426 N ALA A 35 -5.608 3.500 6.923 1.00 15.00 N ATOM 427 CA ALA A 35 -4.292 3.009 7.315 1.00 15.00 C ATOM 428 C ALA A 35 -3.480 2.602 6.091 1.00 15.00 C ATOM 429 O ALA A 35 -4.013 2.021 5.146 1.00 15.00 O ATOM 430 CB ALA A 35 -4.428 1.841 8.277 1.00 15.00 C ATOM 0 H ALA A 35 -6.206 2.799 6.485 1.00 15.00 H new ATOM 0 HA ALA A 35 -3.762 3.816 7.821 1.00 15.00 H new ATOM 0 HB1 ALA A 35 -3.437 1.486 8.560 1.00 15.00 H new ATOM 0 HB2 ALA A 35 -4.966 2.164 9.168 1.00 15.00 H new ATOM 0 HB3 ALA A 35 -4.978 1.034 7.794 1.00 15.00 H new ATOM 436 N SER A 36 -2.192 2.911 6.109 1.00 15.00 N ATOM 437 CA SER A 36 -1.315 2.599 4.990 1.00 15.00 C ATOM 438 C SER A 36 -0.522 1.323 5.265 1.00 15.00 C ATOM 439 O SER A 36 0.251 1.263 6.221 1.00 15.00 O ATOM 440 CB SER A 36 -0.358 3.768 4.736 1.00 15.00 C ATOM 441 OG SER A 36 -1.074 4.968 4.493 1.00 15.00 O ATOM 0 H SER A 36 -1.730 3.379 6.889 1.00 15.00 H new ATOM 0 HA SER A 36 -1.928 2.438 4.103 1.00 15.00 H new ATOM 0 HB2 SER A 36 0.298 3.900 5.597 1.00 15.00 H new ATOM 0 HB3 SER A 36 0.280 3.541 3.881 1.00 15.00 H new ATOM 0 HG SER A 36 -0.442 5.700 4.335 1.00 15.00 H new ATOM 447 N GLN A 37 -0.715 0.296 4.442 1.00 15.00 N ATOM 448 CA GLN A 37 0.034 -0.937 4.623 1.00 15.00 C ATOM 449 C GLN A 37 1.338 -0.895 3.828 1.00 15.00 C ATOM 450 O GLN A 37 1.331 -0.718 2.632 1.00 15.00 O ATOM 451 CB GLN A 37 -0.793 -2.192 4.245 1.00 15.00 C ATOM 452 CG GLN A 37 -0.978 -2.429 2.759 1.00 15.00 C ATOM 453 CD GLN A 37 -1.219 -3.893 2.430 1.00 15.00 C ATOM 454 OE1 GLN A 37 -0.886 -4.360 1.342 1.00 15.00 O ATOM 455 NE2 GLN A 37 -1.790 -4.631 3.369 1.00 15.00 N ATOM 0 H GLN A 37 -1.370 0.294 3.660 1.00 15.00 H new ATOM 0 HA GLN A 37 0.267 -1.016 5.685 1.00 15.00 H new ATOM 0 HB2 GLN A 37 -0.309 -3.068 4.677 1.00 15.00 H new ATOM 0 HB3 GLN A 37 -1.777 -2.110 4.707 1.00 15.00 H new ATOM 0 HG2 GLN A 37 -1.820 -1.836 2.402 1.00 15.00 H new ATOM 0 HG3 GLN A 37 -0.094 -2.081 2.226 1.00 15.00 H new ATOM 0 HE21 GLN A 37 -2.053 -4.209 4.260 1.00 15.00 H new ATOM 0 HE22 GLN A 37 -1.967 -5.621 3.202 1.00 15.00 H new ATOM 464 N TRP A 38 2.435 -1.000 4.549 1.00 15.00 N ATOM 465 CA TRP A 38 3.787 -1.300 4.033 1.00 15.00 C ATOM 466 C TRP A 38 3.897 -2.394 2.932 1.00 15.00 C ATOM 467 O TRP A 38 4.972 -2.613 2.366 1.00 15.00 O ATOM 468 CB TRP A 38 4.705 -1.610 5.197 1.00 15.00 C ATOM 469 CG TRP A 38 5.417 -0.408 5.740 1.00 15.00 C ATOM 470 CD1 TRP A 38 5.428 0.105 7.002 1.00 15.00 C ATOM 471 CD2 TRP A 38 6.260 0.426 4.978 1.00 15.00 C ATOM 472 NE1 TRP A 38 6.337 1.132 7.076 1.00 15.00 N ATOM 473 CE2 TRP A 38 6.842 1.347 5.826 1.00 15.00 C ATOM 474 CE3 TRP A 38 6.598 0.450 3.651 1.00 15.00 C ATOM 475 CZ2 TRP A 38 7.758 2.260 5.351 1.00 15.00 C ATOM 476 CZ3 TRP A 38 7.467 1.343 3.184 1.00 15.00 C ATOM 477 CH2 TRP A 38 8.051 2.226 4.005 1.00 15.00 C ATOM 0 H TRP A 38 2.425 -0.875 5.561 1.00 15.00 H new ATOM 0 HA TRP A 38 4.092 -0.396 3.507 1.00 15.00 H new ATOM 0 HB2 TRP A 38 4.122 -2.068 5.996 1.00 15.00 H new ATOM 0 HB3 TRP A 38 5.444 -2.346 4.880 1.00 15.00 H new ATOM 0 HD1 TRP A 38 4.815 -0.243 7.820 1.00 15.00 H new ATOM 0 HE1 TRP A 38 6.591 1.646 7.920 1.00 15.00 H new ATOM 0 HE3 TRP A 38 6.153 -0.265 2.975 1.00 15.00 H new ATOM 0 HZ2 TRP A 38 8.229 2.975 6.009 1.00 15.00 H new ATOM 0 HZ3 TRP A 38 7.704 1.356 2.130 1.00 15.00 H new ATOM 0 HH2 TRP A 38 8.768 2.927 3.603 1.00 15.00 H new ATOM 488 N GLU A 39 2.804 -3.065 2.680 1.00 15.00 N ATOM 489 CA GLU A 39 2.731 -4.452 2.215 1.00 15.00 C ATOM 490 C GLU A 39 2.366 -4.554 0.728 1.00 15.00 C ATOM 491 O GLU A 39 2.158 -3.550 0.058 1.00 15.00 O ATOM 492 CB GLU A 39 1.760 -5.265 3.075 1.00 15.00 C ATOM 493 CG GLU A 39 2.267 -5.493 4.492 1.00 15.00 C ATOM 494 CD GLU A 39 1.320 -6.319 5.338 1.00 15.00 C ATOM 495 OE1 GLU A 39 1.284 -7.560 5.166 1.00 15.00 O ATOM 496 OE2 GLU A 39 0.627 -5.737 6.199 1.00 15.00 O1- ATOM 0 H GLU A 39 1.881 -2.647 2.796 1.00 15.00 H new ATOM 0 HA GLU A 39 3.729 -4.876 2.324 1.00 15.00 H new ATOM 0 HB2 GLU A 39 0.801 -4.749 3.117 1.00 15.00 H new ATOM 0 HB3 GLU A 39 1.582 -6.229 2.599 1.00 15.00 H new ATOM 0 HG2 GLU A 39 3.235 -5.992 4.449 1.00 15.00 H new ATOM 0 HG3 GLU A 39 2.427 -4.528 4.974 1.00 15.00 H new ATOM 503 N ARG A 40 2.622 -5.703 0.145 1.00 15.00 N ATOM 504 CA ARG A 40 1.943 -6.051 -1.101 1.00 15.00 C ATOM 505 C ARG A 40 1.127 -7.331 -0.920 1.00 15.00 C ATOM 506 O ARG A 40 1.670 -8.407 -0.665 1.00 15.00 O ATOM 507 CB ARG A 40 2.967 -6.185 -2.232 1.00 15.00 C ATOM 508 CG ARG A 40 2.415 -6.735 -3.535 1.00 15.00 C ATOM 509 CD ARG A 40 3.538 -6.995 -4.530 1.00 15.00 C ATOM 510 NE ARG A 40 4.548 -7.900 -3.978 1.00 15.00 N ATOM 511 CZ ARG A 40 5.793 -8.016 -4.442 1.00 15.00 C ATOM 512 NH1 ARG A 40 6.190 -7.316 -5.498 1.00 15.00 N1+ ATOM 513 NH2 ARG A 40 6.638 -8.845 -3.845 1.00 15.00 N ATOM 0 H ARG A 40 3.277 -6.403 0.495 1.00 15.00 H new ATOM 0 HA ARG A 40 1.248 -5.255 -1.371 1.00 15.00 H new ATOM 0 HB2 ARG A 40 3.404 -5.205 -2.425 1.00 15.00 H new ATOM 0 HB3 ARG A 40 3.776 -6.833 -1.895 1.00 15.00 H new ATOM 0 HG2 ARG A 40 1.871 -7.660 -3.343 1.00 15.00 H new ATOM 0 HG3 ARG A 40 1.702 -6.029 -3.960 1.00 15.00 H new ATOM 0 HD2 ARG A 40 3.124 -7.424 -5.443 1.00 15.00 H new ATOM 0 HD3 ARG A 40 4.007 -6.050 -4.806 1.00 15.00 H new ATOM 0 HE ARG A 40 4.281 -8.482 -3.184 1.00 15.00 H new ATOM 0 HH11 ARG A 40 5.540 -6.682 -5.963 1.00 15.00 H new ATOM 0 HH12 ARG A 40 7.145 -7.413 -5.844 1.00 15.00 H new ATOM 0 HH21 ARG A 40 6.334 -9.388 -3.037 1.00 15.00 H new ATOM 0 HH22 ARG A 40 7.592 -8.939 -4.194 1.00 15.00 H new ATOM 527 N PRO A 41 -0.206 -7.213 -1.072 1.00 15.00 N ATOM 528 CA PRO A 41 -1.163 -8.301 -0.803 1.00 15.00 C ATOM 529 C PRO A 41 -1.090 -9.432 -1.826 1.00 15.00 C ATOM 530 O PRO A 41 -1.707 -10.485 -1.652 1.00 15.00 O ATOM 531 CB PRO A 41 -2.521 -7.593 -0.890 1.00 15.00 C ATOM 532 CG PRO A 41 -2.280 -6.471 -1.835 1.00 15.00 C ATOM 533 CD PRO A 41 -0.895 -5.986 -1.525 1.00 15.00 C ATOM 0 HA PRO A 41 -0.965 -8.784 0.154 1.00 15.00 H new ATOM 0 HB2 PRO A 41 -3.298 -8.264 -1.256 1.00 15.00 H new ATOM 0 HB3 PRO A 41 -2.846 -7.231 0.085 1.00 15.00 H new ATOM 0 HG2 PRO A 41 -2.358 -6.804 -2.870 1.00 15.00 H new ATOM 0 HG3 PRO A 41 -3.015 -5.677 -1.699 1.00 15.00 H new ATOM 0 HD2 PRO A 41 -0.413 -5.553 -2.402 1.00 15.00 H new ATOM 0 HD3 PRO A 41 -0.900 -5.217 -0.752 1.00 15.00 H new ATOM 607 N PRO B 177 -2.717 9.927 1.534 1.00 15.00 N ATOM 608 CA PRO B 177 -1.766 8.825 1.643 1.00 15.00 C ATOM 609 C PRO B 177 -0.725 8.823 0.536 1.00 15.00 C ATOM 610 O PRO B 177 -1.089 8.810 -0.635 1.00 15.00 O ATOM 611 CB PRO B 177 -2.638 7.575 1.453 1.00 15.00 C ATOM 612 CG PRO B 177 -3.969 8.034 0.938 1.00 15.00 C ATOM 613 CD PRO B 177 -3.956 9.530 0.841 1.00 15.00 C ATOM 0 HA PRO B 177 -1.223 8.886 2.586 1.00 15.00 H new ATOM 0 HB2 PRO B 177 -2.172 6.884 0.751 1.00 15.00 H new ATOM 0 HB3 PRO B 177 -2.754 7.041 2.396 1.00 15.00 H new ATOM 0 HG2 PRO B 177 -4.169 7.594 -0.039 1.00 15.00 H new ATOM 0 HG3 PRO B 177 -4.766 7.705 1.605 1.00 15.00 H new ATOM 0 HD2 PRO B 177 -3.955 9.862 -0.197 1.00 15.00 H new ATOM 0 HD3 PRO B 177 -4.835 9.967 1.315 1.00 15.00 H new ATOM 621 N GLU B 178 0.553 9.005 0.902 1.00 15.00 N ATOM 622 CA GLU B 178 1.666 8.481 0.102 1.00 15.00 C ATOM 623 C GLU B 178 2.885 8.172 0.994 1.00 15.00 C ATOM 624 O GLU B 178 3.054 8.815 2.031 1.00 15.00 O ATOM 625 CB GLU B 178 2.040 9.422 -1.054 1.00 15.00 C ATOM 626 CG GLU B 178 2.336 8.739 -2.363 1.00 15.00 C ATOM 627 CD GLU B 178 2.913 9.701 -3.380 1.00 15.00 C ATOM 628 OE1 GLU B 178 2.133 10.335 -4.119 1.00 15.00 O1- ATOM 629 OE2 GLU B 178 4.148 9.841 -3.434 1.00 15.00 O ATOM 0 H GLU B 178 0.838 9.508 1.742 1.00 15.00 H new ATOM 0 HA GLU B 178 1.331 7.547 -0.349 1.00 15.00 H new ATOM 0 HB2 GLU B 178 1.223 10.127 -1.207 1.00 15.00 H new ATOM 0 HB3 GLU B 178 2.913 10.004 -0.760 1.00 15.00 H new ATOM 0 HG2 GLU B 178 3.038 7.922 -2.196 1.00 15.00 H new ATOM 0 HG3 GLU B 178 1.421 8.298 -2.758 1.00 15.00 H new ATOM 653 N PRO B 180 5.185 5.675 3.045 1.00 15.00 N ATOM 654 CA PRO B 180 5.225 5.346 4.495 1.00 15.00 C ATOM 655 C PRO B 180 6.617 5.354 5.189 1.00 15.00 C ATOM 656 O PRO B 180 6.641 5.271 6.417 1.00 15.00 O ATOM 657 CB PRO B 180 4.790 3.869 4.563 1.00 15.00 C ATOM 658 CG PRO B 180 4.945 3.321 3.187 1.00 15.00 C ATOM 659 CD PRO B 180 5.160 4.465 2.227 1.00 15.00 C ATOM 0 HA PRO B 180 4.620 6.102 4.995 1.00 15.00 H new ATOM 0 HB2 PRO B 180 5.405 3.315 5.273 1.00 15.00 H new ATOM 0 HB3 PRO B 180 3.757 3.784 4.901 1.00 15.00 H new ATOM 0 HG2 PRO B 180 5.789 2.633 3.148 1.00 15.00 H new ATOM 0 HG3 PRO B 180 4.058 2.754 2.905 1.00 15.00 H new ATOM 0 HD2 PRO B 180 6.095 4.345 1.679 1.00 15.00 H new ATOM 0 HD3 PRO B 180 4.360 4.510 1.488 1.00 15.00 H new ATOM 667 N PRO B 181 7.792 5.416 4.478 1.00 15.00 N ATOM 668 CA PRO B 181 9.019 4.788 4.988 1.00 15.00 C ATOM 669 C PRO B 181 9.418 5.292 6.383 1.00 15.00 C ATOM 670 O PRO B 181 9.158 6.447 6.727 1.00 15.00 O ATOM 671 CB PRO B 181 10.108 5.186 3.993 1.00 15.00 C ATOM 672 CG PRO B 181 9.390 5.641 2.788 1.00 15.00 C ATOM 673 CD PRO B 181 8.075 6.173 3.252 1.00 15.00 C ATOM 0 HA PRO B 181 8.873 3.712 5.083 1.00 15.00 H new ATOM 0 HB2 PRO B 181 10.739 5.978 4.397 1.00 15.00 H new ATOM 0 HB3 PRO B 181 10.761 4.343 3.767 1.00 15.00 H new ATOM 0 HG2 PRO B 181 9.958 6.412 2.266 1.00 15.00 H new ATOM 0 HG3 PRO B 181 9.250 4.819 2.087 1.00 15.00 H new ATOM 0 HD2 PRO B 181 8.126 7.244 3.448 1.00 15.00 H new ATOM 0 HD3 PRO B 181 7.298 6.022 2.503 1.00 15.00 H new