USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 257 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 1 TRP N :NH3+ 149:sc= 0.0879 (180deg=0.00563) USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= -0.0659 (180deg=-0.49) USER MOD Single : A 8 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.4) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.332 F(o=-2.8!,f=-0.33) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -70:sc= 0.605 USER MOD Single : A 18 GLN : amide:sc= -0.0207 K(o=-0.021,f=-1.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 23 MET CE :methyl -144:sc= 0 (180deg=-0.0326) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 11.607 -3.738 0.338 1.00 75.15 N ATOM 2 CA TRP A 1 10.877 -4.602 1.259 1.00 63.00 C ATOM 3 C TRP A 1 9.385 -4.595 0.946 1.00 21.12 C ATOM 4 O TRP A 1 8.865 -3.636 0.378 1.00 12.22 O ATOM 5 CB TRP A 1 11.110 -4.154 2.703 1.00 64.41 C ATOM 6 CG TRP A 1 12.505 -4.414 3.187 1.00 13.15 C ATOM 7 CD1 TRP A 1 13.224 -5.564 3.035 1.00 24.52 C ATOM 8 CD2 TRP A 1 13.346 -3.504 3.904 1.00 10.14 C ATOM 9 NE1 TRP A 1 14.463 -5.425 3.614 1.00 14.44 N ATOM 10 CE2 TRP A 1 14.562 -4.169 4.154 1.00 63.44 C ATOM 11 CE3 TRP A 1 13.191 -2.191 4.358 1.00 23.32 C ATOM 12 CZ2 TRP A 1 15.614 -3.566 4.837 1.00 3.51 C ATOM 13 CZ3 TRP A 1 14.236 -1.594 5.037 1.00 42.43 C ATOM 14 CH2 TRP A 1 15.435 -2.280 5.270 1.00 4.12 C ATOM 0 H1 TRP A 1 12.436 -3.337 0.821 1.00 75.15 H new ATOM 0 H2 TRP A 1 11.920 -4.293 -0.484 1.00 75.15 H new ATOM 0 H3 TRP A 1 10.986 -2.967 0.019 1.00 75.15 H new ATOM 0 HA TRP A 1 11.250 -5.619 1.136 1.00 63.00 H new ATOM 0 HB2 TRP A 1 10.898 -3.088 2.784 1.00 64.41 H new ATOM 0 HB3 TRP A 1 10.405 -4.670 3.354 1.00 64.41 H new ATOM 0 HD1 TRP A 1 12.871 -6.453 2.533 1.00 24.52 H new ATOM 0 HE1 TRP A 1 15.190 -6.140 3.638 1.00 14.44 H new ATOM 0 HE3 TRP A 1 12.271 -1.653 4.181 1.00 23.32 H new ATOM 0 HZ2 TRP A 1 16.538 -4.094 5.019 1.00 3.51 H new ATOM 0 HZ3 TRP A 1 14.126 -0.581 5.394 1.00 42.43 H new ATOM 0 HH2 TRP A 1 16.234 -1.784 5.802 1.00 4.12 H new ATOM 25 N GLY A 2 8.701 -5.672 1.321 1.00 51.10 N ATOM 26 CA GLY A 2 7.274 -5.768 1.072 1.00 65.44 C ATOM 27 C GLY A 2 6.961 -6.454 -0.243 1.00 70.14 C ATOM 28 O GLY A 2 6.240 -7.451 -0.274 1.00 60.44 O ATOM 0 H GLY A 2 9.109 -6.479 1.792 1.00 51.10 H new ATOM 0 HA2 GLY A 2 6.802 -6.318 1.887 1.00 65.44 H new ATOM 0 HA3 GLY A 2 6.840 -4.768 1.069 1.00 65.44 H new ATOM 32 N TRP A 3 7.502 -5.918 -1.332 1.00 33.35 N ATOM 33 CA TRP A 3 7.274 -6.485 -2.656 1.00 51.42 C ATOM 34 C TRP A 3 7.946 -7.847 -2.789 1.00 1.41 C ATOM 35 O TRP A 3 7.501 -8.697 -3.560 1.00 24.53 O ATOM 36 CB TRP A 3 7.798 -5.536 -3.736 1.00 34.21 C ATOM 37 CG TRP A 3 7.016 -4.261 -3.836 1.00 63.12 C ATOM 38 CD1 TRP A 3 7.101 -3.181 -3.005 1.00 53.42 C ATOM 39 CD2 TRP A 3 6.031 -3.935 -4.823 1.00 21.14 C ATOM 40 NE1 TRP A 3 6.227 -2.203 -3.416 1.00 2.45 N ATOM 41 CE2 TRP A 3 5.560 -2.640 -4.529 1.00 31.52 C ATOM 42 CE3 TRP A 3 5.503 -4.610 -5.926 1.00 54.44 C ATOM 43 CZ2 TRP A 3 4.586 -2.011 -5.299 1.00 13.33 C ATOM 44 CZ3 TRP A 3 4.536 -3.983 -6.689 1.00 75.43 C ATOM 45 CH2 TRP A 3 4.086 -2.694 -6.373 1.00 73.44 C ATOM 0 H TRP A 3 8.101 -5.092 -1.324 1.00 33.35 H new ATOM 0 HA TRP A 3 6.200 -6.617 -2.787 1.00 51.42 H new ATOM 0 HB2 TRP A 3 8.841 -5.299 -3.526 1.00 34.21 H new ATOM 0 HB3 TRP A 3 7.774 -6.045 -4.700 1.00 34.21 H new ATOM 0 HD1 TRP A 3 7.758 -3.106 -2.151 1.00 53.42 H new ATOM 0 HE1 TRP A 3 6.096 -1.298 -2.965 1.00 2.45 H new ATOM 0 HE3 TRP A 3 5.844 -5.603 -6.178 1.00 54.44 H new ATOM 0 HZ2 TRP A 3 4.237 -1.018 -5.057 1.00 13.33 H new ATOM 0 HZ3 TRP A 3 4.120 -4.495 -7.544 1.00 75.43 H new ATOM 0 HH2 TRP A 3 3.330 -2.231 -6.990 1.00 73.44 H new ATOM 56 N LYS A 4 9.020 -8.048 -2.033 1.00 1.32 N ATOM 57 CA LYS A 4 9.754 -9.307 -2.064 1.00 74.44 C ATOM 58 C LYS A 4 8.819 -10.488 -1.820 1.00 52.34 C ATOM 59 O LYS A 4 8.884 -11.497 -2.521 1.00 20.22 O ATOM 60 CB LYS A 4 10.867 -9.299 -1.014 1.00 60.45 C ATOM 61 CG LYS A 4 11.848 -10.450 -1.159 1.00 41.15 C ATOM 62 CD LYS A 4 12.963 -10.112 -2.135 1.00 24.05 C ATOM 63 CE LYS A 4 13.951 -9.126 -1.531 1.00 44.51 C ATOM 64 NZ LYS A 4 14.651 -9.696 -0.347 1.00 4.32 N ATOM 0 H LYS A 4 9.402 -7.354 -1.390 1.00 1.32 H new ATOM 0 HA LYS A 4 10.198 -9.415 -3.054 1.00 74.44 H new ATOM 0 HB2 LYS A 4 11.412 -8.357 -1.081 1.00 60.45 H new ATOM 0 HB3 LYS A 4 10.419 -9.337 -0.021 1.00 60.45 H new ATOM 0 HG2 LYS A 4 12.276 -10.690 -0.185 1.00 41.15 H new ATOM 0 HG3 LYS A 4 11.319 -11.339 -1.503 1.00 41.15 H new ATOM 0 HD2 LYS A 4 13.486 -11.024 -2.421 1.00 24.05 H new ATOM 0 HD3 LYS A 4 12.536 -9.690 -3.045 1.00 24.05 H new ATOM 0 HE2 LYS A 4 14.685 -8.841 -2.284 1.00 44.51 H new ATOM 0 HE3 LYS A 4 13.424 -8.217 -1.239 1.00 44.51 H new ATOM 0 HZ1 LYS A 4 15.535 -9.173 -0.181 1.00 4.32 H new ATOM 0 HZ2 LYS A 4 14.039 -9.615 0.490 1.00 4.32 H new ATOM 0 HZ3 LYS A 4 14.869 -10.698 -0.522 1.00 4.32 H new ATOM 78 N GLU A 5 7.949 -10.352 -0.824 1.00 24.22 N ATOM 79 CA GLU A 5 7.001 -11.408 -0.489 1.00 62.23 C ATOM 80 C GLU A 5 5.999 -11.618 -1.621 1.00 12.24 C ATOM 81 O GLU A 5 5.465 -12.713 -1.797 1.00 51.03 O ATOM 82 CB GLU A 5 6.261 -11.068 0.806 1.00 22.21 C ATOM 83 CG GLU A 5 5.777 -12.290 1.569 1.00 11.31 C ATOM 84 CD GLU A 5 4.655 -11.966 2.537 1.00 62.32 C ATOM 85 OE1 GLU A 5 3.952 -12.906 2.964 1.00 54.32 O ATOM 86 OE2 GLU A 5 4.481 -10.775 2.867 1.00 54.33 O ATOM 0 H GLU A 5 7.881 -9.522 -0.236 1.00 24.22 H new ATOM 0 HA GLU A 5 7.561 -12.332 -0.346 1.00 62.23 H new ATOM 0 HB2 GLU A 5 6.921 -10.486 1.450 1.00 22.21 H new ATOM 0 HB3 GLU A 5 5.406 -10.435 0.570 1.00 22.21 H new ATOM 0 HG2 GLU A 5 5.434 -13.044 0.860 1.00 11.31 H new ATOM 0 HG3 GLU A 5 6.612 -12.725 2.118 1.00 11.31 H new ATOM 93 N VAL A 6 5.747 -10.559 -2.384 1.00 64.23 N ATOM 94 CA VAL A 6 4.810 -10.626 -3.499 1.00 11.01 C ATOM 95 C VAL A 6 5.403 -11.401 -4.670 1.00 41.23 C ATOM 96 O VAL A 6 4.728 -12.223 -5.291 1.00 3.45 O ATOM 97 CB VAL A 6 4.408 -9.219 -3.979 1.00 40.23 C ATOM 98 CG1 VAL A 6 3.310 -9.306 -5.029 1.00 4.12 C ATOM 99 CG2 VAL A 6 3.966 -8.361 -2.803 1.00 51.05 C ATOM 0 H VAL A 6 6.179 -9.645 -2.250 1.00 64.23 H new ATOM 0 HA VAL A 6 3.923 -11.145 -3.136 1.00 11.01 H new ATOM 0 HB VAL A 6 5.278 -8.748 -4.436 1.00 40.23 H new ATOM 0 HG11 VAL A 6 3.039 -8.302 -5.356 1.00 4.12 H new ATOM 0 HG12 VAL A 6 3.668 -9.882 -5.883 1.00 4.12 H new ATOM 0 HG13 VAL A 6 2.436 -9.797 -4.601 1.00 4.12 H new ATOM 0 HG21 VAL A 6 3.686 -7.370 -3.161 1.00 51.05 H new ATOM 0 HG22 VAL A 6 3.110 -8.826 -2.315 1.00 51.05 H new ATOM 0 HG23 VAL A 6 4.786 -8.271 -2.090 1.00 51.05 H new ATOM 109 N VAL A 7 6.671 -11.134 -4.968 1.00 52.31 N ATOM 110 CA VAL A 7 7.357 -11.807 -6.064 1.00 53.15 C ATOM 111 C VAL A 7 7.486 -13.302 -5.796 1.00 61.12 C ATOM 112 O VAL A 7 7.511 -14.109 -6.725 1.00 40.21 O ATOM 113 CB VAL A 7 8.760 -11.215 -6.297 1.00 15.12 C ATOM 114 CG1 VAL A 7 9.382 -11.795 -7.558 1.00 11.22 C ATOM 115 CG2 VAL A 7 8.690 -9.697 -6.376 1.00 25.33 C ATOM 0 H VAL A 7 7.244 -10.456 -4.465 1.00 52.31 H new ATOM 0 HA VAL A 7 6.753 -11.652 -6.958 1.00 53.15 H new ATOM 0 HB VAL A 7 9.394 -11.484 -5.452 1.00 15.12 H new ATOM 0 HG11 VAL A 7 10.373 -11.365 -7.706 1.00 11.22 H new ATOM 0 HG12 VAL A 7 9.467 -12.877 -7.457 1.00 11.22 H new ATOM 0 HG13 VAL A 7 8.752 -11.559 -8.416 1.00 11.22 H new ATOM 0 HG21 VAL A 7 9.690 -9.295 -6.541 1.00 25.33 H new ATOM 0 HG22 VAL A 7 8.041 -9.405 -7.201 1.00 25.33 H new ATOM 0 HG23 VAL A 7 8.289 -9.302 -5.442 1.00 25.33 H new ATOM 125 N GLN A 8 7.568 -13.664 -4.520 1.00 14.22 N ATOM 126 CA GLN A 8 7.695 -15.063 -4.129 1.00 53.15 C ATOM 127 C GLN A 8 6.576 -15.902 -4.738 1.00 15.42 C ATOM 128 O GLN A 8 6.796 -17.037 -5.158 1.00 14.25 O ATOM 129 CB GLN A 8 7.675 -15.193 -2.606 1.00 11.15 C ATOM 130 CG GLN A 8 7.611 -16.632 -2.118 1.00 51.54 C ATOM 131 CD GLN A 8 6.188 -17.124 -1.938 1.00 45.05 C ATOM 132 OE1 GLN A 8 5.805 -18.161 -2.481 1.00 52.41 O ATOM 133 NE2 GLN A 8 5.397 -16.381 -1.173 1.00 70.43 N ATOM 0 H GLN A 8 7.549 -13.008 -3.739 1.00 14.22 H new ATOM 0 HA GLN A 8 8.648 -15.434 -4.505 1.00 53.15 H new ATOM 0 HB2 GLN A 8 8.568 -14.719 -2.198 1.00 11.15 H new ATOM 0 HB3 GLN A 8 6.817 -14.647 -2.214 1.00 11.15 H new ATOM 0 HG2 GLN A 8 8.127 -17.276 -2.830 1.00 51.54 H new ATOM 0 HG3 GLN A 8 8.143 -16.714 -1.170 1.00 51.54 H new ATOM 0 HE21 GLN A 8 5.757 -15.529 -0.743 1.00 70.43 H new ATOM 0 HE22 GLN A 8 4.429 -16.662 -1.015 1.00 70.43 H new ATOM 142 N ASN A 9 5.374 -15.334 -4.781 1.00 64.24 N ATOM 143 CA ASN A 9 4.220 -16.030 -5.338 1.00 31.53 C ATOM 144 C ASN A 9 4.309 -16.102 -6.859 1.00 50.01 C ATOM 145 O ASN A 9 3.742 -16.998 -7.483 1.00 63.01 O ATOM 146 CB ASN A 9 2.926 -15.327 -4.924 1.00 32.02 C ATOM 147 CG ASN A 9 2.382 -15.845 -3.607 1.00 33.34 C ATOM 148 OD1 ASN A 9 2.591 -15.241 -2.555 1.00 3.12 O ATOM 149 ND2 ASN A 9 1.679 -16.971 -3.659 1.00 11.22 N ATOM 0 H ASN A 9 5.175 -14.395 -4.437 1.00 64.24 H new ATOM 0 HA ASN A 9 4.216 -17.046 -4.944 1.00 31.53 H new ATOM 0 HB2 ASN A 9 3.108 -14.255 -4.842 1.00 32.02 H new ATOM 0 HB3 ASN A 9 2.176 -15.464 -5.703 1.00 32.02 H new ATOM 0 HD21 ASN A 9 1.288 -17.368 -2.805 1.00 11.22 H new ATOM 0 HD22 ASN A 9 1.530 -17.439 -4.553 1.00 11.22 H new ATOM 156 N GLY A 10 5.026 -15.151 -7.450 1.00 53.41 N ATOM 157 CA GLY A 10 5.177 -15.124 -8.893 1.00 54.02 C ATOM 158 C GLY A 10 6.300 -16.020 -9.375 1.00 60.23 C ATOM 159 O GLY A 10 6.229 -16.581 -10.468 1.00 54.14 O ATOM 0 H GLY A 10 5.505 -14.399 -6.955 1.00 53.41 H new ATOM 0 HA2 GLY A 10 4.242 -15.436 -9.359 1.00 54.02 H new ATOM 0 HA3 GLY A 10 5.369 -14.101 -9.216 1.00 54.02 H new ATOM 163 N GLN A 11 7.340 -16.154 -8.559 1.00 2.12 N ATOM 164 CA GLN A 11 8.484 -16.987 -8.910 1.00 44.41 C ATOM 165 C GLN A 11 8.246 -18.438 -8.506 1.00 50.24 C ATOM 166 O GLN A 11 8.620 -19.364 -9.227 1.00 3.03 O ATOM 167 CB GLN A 11 9.752 -16.459 -8.236 1.00 1.00 C ATOM 168 CG GLN A 11 9.686 -16.476 -6.717 1.00 54.44 C ATOM 169 CD GLN A 11 10.831 -15.718 -6.075 1.00 14.13 C ATOM 170 OE1 GLN A 11 10.674 -14.406 -5.945 1.00 23.35 O flip ATOM 171 NE2 GLN A 11 11.845 -16.305 -5.699 1.00 52.45 N flip ATOM 0 H GLN A 11 7.414 -15.697 -7.650 1.00 2.12 H new ATOM 0 HA GLN A 11 8.612 -16.947 -9.992 1.00 44.41 H new ATOM 0 HB2 GLN A 11 10.603 -17.058 -8.561 1.00 1.00 H new ATOM 0 HB3 GLN A 11 9.934 -15.438 -8.572 1.00 1.00 H new ATOM 0 HG2 GLN A 11 8.740 -16.041 -6.393 1.00 54.44 H new ATOM 0 HG3 GLN A 11 9.698 -17.509 -6.368 1.00 54.44 H new ATOM 0 HE21 GLN A 11 11.924 -17.315 -5.819 1.00 52.45 H new ATOM 0 HE22 GLN A 11 12.607 -15.782 -5.268 1.00 52.45 H new ATOM 180 N THR A 12 7.621 -18.630 -7.349 1.00 14.00 N ATOM 181 CA THR A 12 7.333 -19.968 -6.848 1.00 65.23 C ATOM 182 C THR A 12 6.621 -20.808 -7.902 1.00 32.30 C ATOM 183 O THR A 12 6.764 -22.031 -7.936 1.00 3.24 O ATOM 184 CB THR A 12 6.467 -19.918 -5.576 1.00 32.11 C ATOM 185 OG1 THR A 12 6.286 -21.239 -5.054 1.00 24.14 O ATOM 186 CG2 THR A 12 5.111 -19.294 -5.869 1.00 0.52 C ATOM 0 H THR A 12 7.304 -17.875 -6.741 1.00 14.00 H new ATOM 0 HA THR A 12 8.291 -20.428 -6.607 1.00 65.23 H new ATOM 0 HB THR A 12 6.981 -19.303 -4.837 1.00 32.11 H new ATOM 0 HG1 THR A 12 5.735 -21.198 -4.244 1.00 24.14 H new ATOM 0 HG21 THR A 12 4.517 -19.269 -4.956 1.00 0.52 H new ATOM 0 HG22 THR A 12 5.250 -18.278 -6.239 1.00 0.52 H new ATOM 0 HG23 THR A 12 4.593 -19.887 -6.623 1.00 0.52 H new ATOM 194 N ILE A 13 5.854 -20.145 -8.761 1.00 34.52 N ATOM 195 CA ILE A 13 5.120 -20.832 -9.817 1.00 23.22 C ATOM 196 C ILE A 13 5.933 -20.885 -11.106 1.00 24.12 C ATOM 197 O ILE A 13 5.753 -21.782 -11.930 1.00 52.41 O ATOM 198 CB ILE A 13 3.771 -20.147 -10.102 1.00 72.22 C ATOM 199 CG1 ILE A 13 2.946 -20.041 -8.818 1.00 4.34 C ATOM 200 CG2 ILE A 13 3.003 -20.914 -11.169 1.00 12.43 C ATOM 201 CD1 ILE A 13 2.671 -21.377 -8.164 1.00 54.31 C ATOM 0 H ILE A 13 5.725 -19.133 -8.747 1.00 34.52 H new ATOM 0 HA ILE A 13 4.935 -21.847 -9.464 1.00 23.22 H new ATOM 0 HB ILE A 13 3.963 -19.140 -10.472 1.00 72.22 H new ATOM 0 HG12 ILE A 13 3.472 -19.400 -8.110 1.00 4.34 H new ATOM 0 HG13 ILE A 13 1.997 -19.554 -9.045 1.00 4.34 H new ATOM 0 HG21 ILE A 13 2.051 -20.418 -11.360 1.00 12.43 H new ATOM 0 HG22 ILE A 13 3.588 -20.943 -12.088 1.00 12.43 H new ATOM 0 HG23 ILE A 13 2.819 -21.931 -10.824 1.00 12.43 H new ATOM 0 HD11 ILE A 13 2.082 -21.225 -7.260 1.00 54.31 H new ATOM 0 HD12 ILE A 13 2.118 -22.013 -8.855 1.00 54.31 H new ATOM 0 HD13 ILE A 13 3.615 -21.857 -7.906 1.00 54.31 H new ATOM 213 N PHE A 14 6.831 -19.919 -11.273 1.00 20.53 N ATOM 214 CA PHE A 14 7.674 -19.856 -12.461 1.00 54.02 C ATOM 215 C PHE A 14 8.782 -20.903 -12.399 1.00 10.23 C ATOM 216 O PHE A 14 8.902 -21.749 -13.285 1.00 1.13 O ATOM 217 CB PHE A 14 8.283 -18.460 -12.606 1.00 53.14 C ATOM 218 CG PHE A 14 8.934 -18.226 -13.939 1.00 41.25 C ATOM 219 CD1 PHE A 14 10.283 -18.483 -14.121 1.00 4.02 C ATOM 220 CD2 PHE A 14 8.197 -17.748 -15.011 1.00 50.01 C ATOM 221 CE1 PHE A 14 10.886 -18.269 -15.346 1.00 52.03 C ATOM 222 CE2 PHE A 14 8.794 -17.532 -16.239 1.00 32.51 C ATOM 223 CZ PHE A 14 10.140 -17.792 -16.406 1.00 60.14 C ATOM 0 H PHE A 14 6.993 -19.169 -10.601 1.00 20.53 H new ATOM 0 HA PHE A 14 7.050 -20.065 -13.330 1.00 54.02 H new ATOM 0 HB2 PHE A 14 7.502 -17.714 -12.456 1.00 53.14 H new ATOM 0 HB3 PHE A 14 9.022 -18.311 -11.819 1.00 53.14 H new ATOM 0 HD1 PHE A 14 10.871 -18.855 -13.295 1.00 4.02 H new ATOM 0 HD2 PHE A 14 7.144 -17.542 -14.886 1.00 50.01 H new ATOM 0 HE1 PHE A 14 11.939 -18.474 -15.474 1.00 52.03 H new ATOM 0 HE2 PHE A 14 8.208 -17.160 -17.067 1.00 32.51 H new ATOM 0 HZ PHE A 14 10.609 -17.623 -17.364 1.00 60.14 H new ATOM 233 N SER A 15 9.590 -20.838 -11.345 1.00 62.14 N ATOM 234 CA SER A 15 10.692 -21.777 -11.168 1.00 52.14 C ATOM 235 C SER A 15 10.190 -23.217 -11.212 1.00 25.25 C ATOM 236 O SER A 15 10.785 -24.074 -11.865 1.00 3.30 O ATOM 237 CB SER A 15 11.406 -21.513 -9.842 1.00 24.14 C ATOM 238 OG SER A 15 10.486 -21.133 -8.834 1.00 10.25 O ATOM 0 H SER A 15 9.502 -20.145 -10.601 1.00 62.14 H new ATOM 0 HA SER A 15 11.397 -21.632 -11.987 1.00 52.14 H new ATOM 0 HB2 SER A 15 11.943 -22.409 -9.530 1.00 24.14 H new ATOM 0 HB3 SER A 15 12.149 -20.727 -9.976 1.00 24.14 H new ATOM 0 HG SER A 15 10.141 -20.236 -9.027 1.00 10.25 H new ATOM 244 N ALA A 16 9.092 -23.476 -10.510 1.00 12.21 N ATOM 245 CA ALA A 16 8.508 -24.811 -10.469 1.00 2.11 C ATOM 246 C ALA A 16 8.214 -25.325 -11.874 1.00 64.11 C ATOM 247 O ALA A 16 8.171 -26.532 -12.108 1.00 22.25 O ATOM 248 CB ALA A 16 7.239 -24.806 -9.630 1.00 73.43 C ATOM 0 H ALA A 16 8.589 -22.779 -9.962 1.00 12.21 H new ATOM 0 HA ALA A 16 9.232 -25.484 -10.009 1.00 2.11 H new ATOM 0 HB1 ALA A 16 6.813 -25.809 -9.608 1.00 73.43 H new ATOM 0 HB2 ALA A 16 7.476 -24.490 -8.614 1.00 73.43 H new ATOM 0 HB3 ALA A 16 6.517 -24.115 -10.066 1.00 73.43 H new ATOM 254 N GLY A 17 8.012 -24.400 -12.808 1.00 22.13 N ATOM 255 CA GLY A 17 7.724 -24.780 -14.178 1.00 61.13 C ATOM 256 C GLY A 17 8.788 -25.687 -14.765 1.00 2.54 C ATOM 257 O GLY A 17 8.526 -26.432 -15.708 1.00 33.33 O ATOM 0 H GLY A 17 8.043 -23.394 -12.640 1.00 22.13 H new ATOM 0 HA2 GLY A 17 6.759 -25.285 -14.216 1.00 61.13 H new ATOM 0 HA3 GLY A 17 7.638 -23.882 -14.790 1.00 61.13 H new ATOM 261 N GLN A 18 9.992 -25.621 -14.206 1.00 45.01 N ATOM 262 CA GLN A 18 11.100 -26.441 -14.682 1.00 3.02 C ATOM 263 C GLN A 18 11.081 -27.817 -14.024 1.00 3.44 C ATOM 264 O GLN A 18 11.108 -28.843 -14.704 1.00 15.34 O ATOM 265 CB GLN A 18 12.434 -25.747 -14.401 1.00 10.51 C ATOM 266 CG GLN A 18 12.469 -24.293 -14.845 1.00 74.23 C ATOM 267 CD GLN A 18 13.881 -23.764 -15.000 1.00 53.23 C ATOM 268 OE1 GLN A 18 14.854 -24.497 -14.824 1.00 31.32 O ATOM 269 NE2 GLN A 18 14.000 -22.484 -15.332 1.00 41.43 N ATOM 0 H GLN A 18 10.225 -25.009 -13.424 1.00 45.01 H new ATOM 0 HA GLN A 18 10.986 -26.571 -15.758 1.00 3.02 H new ATOM 0 HB2 GLN A 18 12.642 -25.797 -13.332 1.00 10.51 H new ATOM 0 HB3 GLN A 18 13.231 -26.292 -14.907 1.00 10.51 H new ATOM 0 HG2 GLN A 18 11.942 -24.194 -15.794 1.00 74.23 H new ATOM 0 HG3 GLN A 18 11.934 -23.682 -14.118 1.00 74.23 H new ATOM 0 HE21 GLN A 18 13.166 -21.913 -15.468 1.00 41.43 H new ATOM 0 HE22 GLN A 18 14.925 -22.072 -15.451 1.00 41.43 H new ATOM 278 N LYS A 19 11.036 -27.831 -12.696 1.00 32.12 N ATOM 279 CA LYS A 19 11.012 -29.080 -11.944 1.00 63.21 C ATOM 280 C LYS A 19 9.762 -29.890 -12.273 1.00 44.04 C ATOM 281 O LYS A 19 9.774 -31.120 -12.214 1.00 72.32 O ATOM 282 CB LYS A 19 11.068 -28.796 -10.441 1.00 74.13 C ATOM 283 CG LYS A 19 9.754 -28.292 -9.869 1.00 30.42 C ATOM 284 CD LYS A 19 9.886 -27.939 -8.397 1.00 21.31 C ATOM 285 CE LYS A 19 8.533 -27.630 -7.774 1.00 43.23 C ATOM 286 NZ LYS A 19 8.669 -26.856 -6.509 1.00 31.41 N ATOM 0 H LYS A 19 11.015 -26.991 -12.118 1.00 32.12 H new ATOM 0 HA LYS A 19 11.887 -29.664 -12.230 1.00 63.21 H new ATOM 0 HB2 LYS A 19 11.357 -29.708 -9.918 1.00 74.13 H new ATOM 0 HB3 LYS A 19 11.846 -28.057 -10.248 1.00 74.13 H new ATOM 0 HG2 LYS A 19 9.426 -27.415 -10.427 1.00 30.42 H new ATOM 0 HG3 LYS A 19 8.985 -29.055 -9.994 1.00 30.42 H new ATOM 0 HD2 LYS A 19 10.353 -28.767 -7.864 1.00 21.31 H new ATOM 0 HD3 LYS A 19 10.544 -27.077 -8.286 1.00 21.31 H new ATOM 0 HE2 LYS A 19 7.928 -27.065 -8.482 1.00 43.23 H new ATOM 0 HE3 LYS A 19 8.004 -28.562 -7.575 1.00 43.23 H new ATOM 0 HZ1 LYS A 19 7.725 -26.665 -6.116 1.00 31.41 H new ATOM 0 HZ2 LYS A 19 9.225 -27.406 -5.824 1.00 31.41 H new ATOM 0 HZ3 LYS A 19 9.151 -25.955 -6.703 1.00 31.41 H new ATOM 300 N LEU A 20 8.686 -29.193 -12.622 1.00 24.13 N ATOM 301 CA LEU A 20 7.428 -29.848 -12.963 1.00 1.25 C ATOM 302 C LEU A 20 7.618 -30.823 -14.120 1.00 54.10 C ATOM 303 O LEU A 20 6.839 -31.760 -14.290 1.00 14.13 O ATOM 304 CB LEU A 20 6.370 -28.805 -13.327 1.00 42.13 C ATOM 305 CG LEU A 20 5.250 -28.600 -12.307 1.00 1.31 C ATOM 306 CD1 LEU A 20 4.346 -29.822 -12.254 1.00 2.45 C ATOM 307 CD2 LEU A 20 5.829 -28.302 -10.932 1.00 24.04 C ATOM 0 H LEU A 20 8.660 -28.175 -12.676 1.00 24.13 H new ATOM 0 HA LEU A 20 7.091 -30.409 -12.092 1.00 1.25 H new ATOM 0 HB2 LEU A 20 6.870 -27.849 -13.484 1.00 42.13 H new ATOM 0 HB3 LEU A 20 5.920 -29.090 -14.278 1.00 42.13 H new ATOM 0 HG LEU A 20 4.651 -27.744 -12.620 1.00 1.31 H new ATOM 0 HD11 LEU A 20 3.555 -29.658 -11.523 1.00 2.45 H new ATOM 0 HD12 LEU A 20 3.903 -29.990 -13.236 1.00 2.45 H new ATOM 0 HD13 LEU A 20 4.931 -30.695 -11.966 1.00 2.45 H new ATOM 0 HD21 LEU A 20 5.017 -28.159 -10.219 1.00 24.04 H new ATOM 0 HD22 LEU A 20 6.452 -29.137 -10.611 1.00 24.04 H new ATOM 0 HD23 LEU A 20 6.433 -27.396 -10.980 1.00 24.04 H new ATOM 319 N GLY A 21 8.660 -30.597 -14.913 1.00 44.54 N ATOM 320 CA GLY A 21 8.935 -31.465 -16.044 1.00 11.55 C ATOM 321 C GLY A 21 10.390 -31.885 -16.111 1.00 74.35 C ATOM 322 O GLY A 21 10.824 -32.486 -17.093 1.00 55.15 O ATOM 0 H GLY A 21 9.319 -29.828 -14.793 1.00 44.54 H new ATOM 0 HA2 GLY A 21 8.306 -32.353 -15.978 1.00 11.55 H new ATOM 0 HA3 GLY A 21 8.665 -30.951 -16.967 1.00 11.55 H new ATOM 326 N ASN A 22 11.145 -31.568 -15.065 1.00 43.23 N ATOM 327 CA ASN A 22 12.561 -31.915 -15.011 1.00 73.13 C ATOM 328 C ASN A 22 12.750 -33.354 -14.541 1.00 22.01 C ATOM 329 O ASN A 22 13.364 -34.167 -15.231 1.00 25.34 O ATOM 330 CB ASN A 22 13.307 -30.959 -14.078 1.00 74.22 C ATOM 331 CG ASN A 22 14.808 -31.172 -14.112 1.00 53.11 C ATOM 332 OD1 ASN A 22 15.388 -31.412 -15.171 1.00 40.21 O ATOM 333 ND2 ASN A 22 15.444 -31.085 -12.950 1.00 11.13 N ATOM 0 H ASN A 22 10.801 -31.072 -14.243 1.00 43.23 H new ATOM 0 HA ASN A 22 12.971 -31.823 -16.017 1.00 73.13 H new ATOM 0 HB2 ASN A 22 13.082 -29.931 -14.361 1.00 74.22 H new ATOM 0 HB3 ASN A 22 12.946 -31.095 -13.058 1.00 74.22 H new ATOM 0 HD21 ASN A 22 16.454 -31.219 -12.910 1.00 11.13 H new ATOM 0 HD22 ASN A 22 14.922 -30.884 -12.097 1.00 11.13 H new ATOM 340 N MET A 23 12.218 -33.660 -13.362 1.00 73.44 N ATOM 341 CA MET A 23 12.327 -35.002 -12.801 1.00 13.24 C ATOM 342 C MET A 23 11.435 -35.982 -13.556 1.00 52.22 C ATOM 343 O MET A 23 11.660 -37.192 -13.526 1.00 41.31 O ATOM 344 CB MET A 23 11.949 -34.989 -11.318 1.00 71.21 C ATOM 345 CG MET A 23 10.543 -34.475 -11.054 1.00 20.14 C ATOM 346 SD MET A 23 9.315 -35.795 -11.026 1.00 12.24 S ATOM 347 CE MET A 23 9.604 -36.492 -9.401 1.00 61.24 C ATOM 0 H MET A 23 11.708 -32.998 -12.777 1.00 73.44 H new ATOM 0 HA MET A 23 13.362 -35.328 -12.903 1.00 13.24 H new ATOM 0 HB2 MET A 23 12.038 -36.000 -10.920 1.00 71.21 H new ATOM 0 HB3 MET A 23 12.662 -34.368 -10.775 1.00 71.21 H new ATOM 0 HG2 MET A 23 10.526 -33.948 -10.100 1.00 20.14 H new ATOM 0 HG3 MET A 23 10.275 -33.751 -11.823 1.00 20.14 H new ATOM 0 HE1 MET A 23 9.465 -37.572 -9.439 1.00 61.24 H new ATOM 0 HE2 MET A 23 10.623 -36.268 -9.085 1.00 61.24 H new ATOM 0 HE3 MET A 23 8.900 -36.060 -8.689 1.00 61.24 H new ATOM 357 N VAL A 24 10.421 -35.452 -14.233 1.00 42.43 N ATOM 358 CA VAL A 24 9.496 -36.280 -14.997 1.00 51.34 C ATOM 359 C VAL A 24 10.183 -36.894 -16.212 1.00 54.42 C ATOM 360 O VAL A 24 10.231 -38.114 -16.360 1.00 50.14 O ATOM 361 CB VAL A 24 8.274 -35.469 -15.468 1.00 12.44 C ATOM 362 CG1 VAL A 24 7.181 -36.396 -15.978 1.00 24.02 C ATOM 363 CG2 VAL A 24 7.754 -34.588 -14.341 1.00 60.13 C ATOM 0 H VAL A 24 10.220 -34.453 -14.268 1.00 42.43 H new ATOM 0 HA VAL A 24 9.160 -37.076 -14.332 1.00 51.34 H new ATOM 0 HB VAL A 24 8.583 -34.824 -16.291 1.00 12.44 H new ATOM 0 HG11 VAL A 24 6.326 -35.805 -16.306 1.00 24.02 H new ATOM 0 HG12 VAL A 24 7.561 -36.980 -16.816 1.00 24.02 H new ATOM 0 HG13 VAL A 24 6.871 -37.068 -15.178 1.00 24.02 H new ATOM 0 HG21 VAL A 24 6.891 -34.022 -14.691 1.00 60.13 H new ATOM 0 HG22 VAL A 24 7.461 -35.212 -13.497 1.00 60.13 H new ATOM 0 HG23 VAL A 24 8.537 -33.898 -14.027 1.00 60.13 H new ATOM 373 N GLY A 25 10.714 -36.038 -17.080 1.00 52.14 N ATOM 374 CA GLY A 25 11.392 -36.515 -18.272 1.00 14.33 C ATOM 375 C GLY A 25 12.805 -36.983 -17.987 1.00 11.34 C ATOM 376 O GLY A 25 13.504 -37.456 -18.883 1.00 55.33 O ATOM 0 H GLY A 25 10.687 -35.023 -16.979 1.00 52.14 H new ATOM 0 HA2 GLY A 25 10.822 -37.336 -18.707 1.00 14.33 H new ATOM 0 HA3 GLY A 25 11.420 -35.717 -19.014 1.00 14.33 H new ATOM 380 N LYS A 26 13.229 -36.850 -16.735 1.00 2.35 N ATOM 381 CA LYS A 26 14.569 -37.262 -16.332 1.00 53.22 C ATOM 382 C LYS A 26 14.552 -37.879 -14.937 1.00 62.04 C ATOM 383 O LYS A 26 14.388 -37.176 -13.940 1.00 34.33 O ATOM 384 CB LYS A 26 15.523 -36.066 -16.361 1.00 12.52 C ATOM 385 CG LYS A 26 15.460 -35.268 -17.652 1.00 62.31 C ATOM 386 CD LYS A 26 16.776 -34.564 -17.937 1.00 62.32 C ATOM 387 CE LYS A 26 17.045 -34.469 -19.431 1.00 62.12 C ATOM 388 NZ LYS A 26 16.165 -33.465 -20.090 1.00 40.04 N ATOM 0 H LYS A 26 12.664 -36.460 -15.981 1.00 2.35 H new ATOM 0 HA LYS A 26 14.919 -38.015 -17.039 1.00 53.22 H new ATOM 0 HB2 LYS A 26 15.291 -35.407 -15.525 1.00 12.52 H new ATOM 0 HB3 LYS A 26 16.543 -36.422 -16.213 1.00 12.52 H new ATOM 0 HG2 LYS A 26 15.215 -35.933 -18.480 1.00 62.31 H new ATOM 0 HG3 LYS A 26 14.659 -34.532 -17.587 1.00 62.31 H new ATOM 0 HD2 LYS A 26 16.755 -33.563 -17.506 1.00 62.32 H new ATOM 0 HD3 LYS A 26 17.590 -35.103 -17.453 1.00 62.32 H new ATOM 0 HE2 LYS A 26 18.089 -34.201 -19.596 1.00 62.12 H new ATOM 0 HE3 LYS A 26 16.890 -35.445 -19.891 1.00 62.12 H new ATOM 0 HZ1 LYS A 26 16.379 -33.430 -21.107 1.00 40.04 H new ATOM 0 HZ2 LYS A 26 15.170 -33.734 -19.955 1.00 40.04 H new ATOM 0 HZ3 LYS A 26 16.331 -32.529 -19.669 1.00 40.04 H new ATOM 402 N ILE A 27 14.725 -39.195 -14.876 1.00 32.03 N ATOM 403 CA ILE A 27 14.732 -39.905 -13.603 1.00 22.12 C ATOM 404 C ILE A 27 15.815 -39.362 -12.676 1.00 52.25 C ATOM 405 O ILE A 27 16.704 -38.628 -13.107 1.00 4.31 O ATOM 406 CB ILE A 27 14.954 -41.416 -13.802 1.00 72.14 C ATOM 407 CG1 ILE A 27 16.148 -41.661 -14.728 1.00 15.32 C ATOM 408 CG2 ILE A 27 13.699 -42.066 -14.365 1.00 55.21 C ATOM 409 CD1 ILE A 27 16.864 -42.965 -14.457 1.00 64.04 C ATOM 0 H ILE A 27 14.862 -39.791 -15.693 1.00 32.03 H new ATOM 0 HA ILE A 27 13.754 -39.746 -13.148 1.00 22.12 H new ATOM 0 HB ILE A 27 15.170 -41.867 -12.834 1.00 72.14 H new ATOM 0 HG12 ILE A 27 15.803 -41.653 -15.762 1.00 15.32 H new ATOM 0 HG13 ILE A 27 16.855 -40.838 -14.621 1.00 15.32 H new ATOM 0 HG21 ILE A 27 13.872 -43.134 -14.500 1.00 55.21 H new ATOM 0 HG22 ILE A 27 12.870 -41.917 -13.673 1.00 55.21 H new ATOM 0 HG23 ILE A 27 13.455 -41.614 -15.326 1.00 55.21 H new ATOM 0 HD11 ILE A 27 17.699 -43.073 -15.150 1.00 64.04 H new ATOM 0 HD12 ILE A 27 17.239 -42.968 -13.434 1.00 64.04 H new ATOM 0 HD13 ILE A 27 16.171 -43.795 -14.592 1.00 64.04 H new ATOM 421 N VAL A 28 15.734 -39.729 -11.401 1.00 61.15 N ATOM 422 CA VAL A 28 16.709 -39.281 -10.414 1.00 34.32 C ATOM 423 C VAL A 28 17.475 -40.460 -9.824 1.00 60.04 C ATOM 424 O VAL A 28 17.007 -41.599 -9.823 1.00 13.34 O ATOM 425 CB VAL A 28 16.032 -38.500 -9.272 1.00 32.54 C ATOM 426 CG1 VAL A 28 15.695 -37.086 -9.718 1.00 4.33 C ATOM 427 CG2 VAL A 28 14.784 -39.229 -8.795 1.00 42.20 C ATOM 0 H VAL A 28 15.004 -40.335 -11.028 1.00 61.15 H new ATOM 0 HA VAL A 28 17.405 -38.622 -10.933 1.00 34.32 H new ATOM 0 HB VAL A 28 16.729 -38.435 -8.437 1.00 32.54 H new ATOM 0 HG11 VAL A 28 15.217 -36.550 -8.898 1.00 4.33 H new ATOM 0 HG12 VAL A 28 16.610 -36.568 -10.007 1.00 4.33 H new ATOM 0 HG13 VAL A 28 15.016 -37.125 -10.570 1.00 4.33 H new ATOM 0 HG21 VAL A 28 14.318 -38.663 -7.988 1.00 42.20 H new ATOM 0 HG22 VAL A 28 14.081 -39.327 -9.622 1.00 42.20 H new ATOM 0 HG23 VAL A 28 15.058 -40.220 -8.433 1.00 42.20 H new ATOM 437 N PRO A 29 18.683 -40.183 -9.311 1.00 32.12 N ATOM 438 CA PRO A 29 19.540 -41.208 -8.707 1.00 42.44 C ATOM 439 C PRO A 29 18.986 -41.721 -7.383 1.00 1.33 C ATOM 440 O PRO A 29 19.152 -42.892 -7.041 1.00 34.51 O ATOM 441 CB PRO A 29 20.866 -40.475 -8.485 1.00 15.33 C ATOM 442 CG PRO A 29 20.490 -39.037 -8.374 1.00 34.54 C ATOM 443 CD PRO A 29 19.304 -38.848 -9.279 1.00 30.40 C ATOM 0 HA PRO A 29 19.626 -42.092 -9.339 1.00 42.44 H new ATOM 0 HB2 PRO A 29 21.365 -40.825 -7.581 1.00 15.33 H new ATOM 0 HB3 PRO A 29 21.554 -40.641 -9.314 1.00 15.33 H new ATOM 0 HG2 PRO A 29 20.241 -38.777 -7.345 1.00 34.54 H new ATOM 0 HG3 PRO A 29 21.317 -38.393 -8.674 1.00 34.54 H new ATOM 0 HD2 PRO A 29 18.618 -38.095 -8.891 1.00 30.40 H new ATOM 0 HD3 PRO A 29 19.606 -38.521 -10.274 1.00 30.40 H new ATOM 451 N LEU A 30 18.328 -40.837 -6.640 1.00 74.45 N ATOM 452 CA LEU A 30 17.748 -41.201 -5.352 1.00 71.42 C ATOM 453 C LEU A 30 16.224 -41.160 -5.409 1.00 42.45 C ATOM 454 O LEU A 30 15.628 -40.511 -6.270 1.00 24.12 O ATOM 455 CB LEU A 30 18.255 -40.260 -4.258 1.00 54.24 C ATOM 456 CG LEU A 30 19.617 -40.603 -3.656 1.00 2.05 C ATOM 457 CD1 LEU A 30 20.075 -39.503 -2.710 1.00 32.41 C ATOM 458 CD2 LEU A 30 19.559 -41.941 -2.932 1.00 51.34 C ATOM 0 H LEU A 30 18.183 -39.863 -6.908 1.00 74.45 H new ATOM 0 HA LEU A 30 18.056 -42.220 -5.118 1.00 71.42 H new ATOM 0 HB2 LEU A 30 18.305 -39.252 -4.669 1.00 54.24 H new ATOM 0 HB3 LEU A 30 17.519 -40.240 -3.454 1.00 54.24 H new ATOM 0 HG LEU A 30 20.341 -40.682 -4.467 1.00 2.05 H new ATOM 0 HD11 LEU A 30 21.047 -39.765 -2.291 1.00 32.41 H new ATOM 0 HD12 LEU A 30 20.157 -38.564 -3.257 1.00 32.41 H new ATOM 0 HD13 LEU A 30 19.350 -39.392 -1.904 1.00 32.41 H new ATOM 0 HD21 LEU A 30 20.538 -42.169 -2.510 1.00 51.34 H new ATOM 0 HD22 LEU A 30 18.821 -41.890 -2.131 1.00 51.34 H new ATOM 0 HD23 LEU A 30 19.276 -42.724 -3.636 1.00 51.34 H new ATOM 470 N PRO A 31 15.577 -41.866 -4.471 1.00 11.24 N ATOM 471 CA PRO A 31 14.114 -41.923 -4.391 1.00 63.12 C ATOM 472 C PRO A 31 13.505 -40.596 -3.952 1.00 41.14 C ATOM 473 O PRO A 31 12.345 -40.307 -4.245 1.00 74.11 O ATOM 474 CB PRO A 31 13.858 -43.003 -3.337 1.00 64.43 C ATOM 475 CG PRO A 31 15.086 -43.007 -2.493 1.00 34.02 C ATOM 476 CD PRO A 31 16.223 -42.662 -3.414 1.00 21.21 C ATOM 0 HA PRO A 31 13.661 -42.137 -5.359 1.00 63.12 H new ATOM 0 HB2 PRO A 31 12.971 -42.776 -2.745 1.00 64.43 H new ATOM 0 HB3 PRO A 31 13.692 -43.976 -3.799 1.00 64.43 H new ATOM 0 HG2 PRO A 31 15.006 -42.281 -1.684 1.00 34.02 H new ATOM 0 HG3 PRO A 31 15.240 -43.983 -2.032 1.00 34.02 H new ATOM 0 HD2 PRO A 31 16.998 -42.094 -2.900 1.00 21.21 H new ATOM 0 HD3 PRO A 31 16.698 -43.556 -3.818 1.00 21.21 H new ATOM 484 N PHE A 32 14.295 -39.791 -3.249 1.00 61.31 N ATOM 485 CA PHE A 32 13.833 -38.494 -2.769 1.00 72.14 C ATOM 486 C PHE A 32 14.684 -37.366 -3.346 1.00 74.31 C ATOM 487 O PHE A 32 14.184 -36.277 -3.623 1.00 43.40 O ATOM 488 CB PHE A 32 13.873 -38.448 -1.241 1.00 2.05 C ATOM 489 CG PHE A 32 12.939 -39.425 -0.586 1.00 71.34 C ATOM 490 CD1 PHE A 32 13.430 -40.554 0.050 1.00 50.20 C ATOM 491 CD2 PHE A 32 11.569 -39.216 -0.609 1.00 4.24 C ATOM 492 CE1 PHE A 32 12.573 -41.455 0.653 1.00 30.12 C ATOM 493 CE2 PHE A 32 10.708 -40.113 -0.007 1.00 33.23 C ATOM 494 CZ PHE A 32 11.210 -41.235 0.624 1.00 51.22 C ATOM 0 H PHE A 32 15.258 -40.014 -2.999 1.00 61.31 H new ATOM 0 HA PHE A 32 12.804 -38.357 -3.102 1.00 72.14 H new ATOM 0 HB2 PHE A 32 14.890 -38.650 -0.906 1.00 2.05 H new ATOM 0 HB3 PHE A 32 13.623 -37.440 -0.909 1.00 2.05 H new ATOM 0 HD1 PHE A 32 14.495 -40.732 0.075 1.00 50.20 H new ATOM 0 HD2 PHE A 32 11.170 -38.342 -1.103 1.00 4.24 H new ATOM 0 HE1 PHE A 32 12.969 -42.330 1.146 1.00 30.12 H new ATOM 0 HE2 PHE A 32 9.643 -39.937 -0.030 1.00 33.23 H new ATOM 0 HZ PHE A 32 10.538 -41.938 1.093 1.00 51.22 H new ATOM 504 N GLY A 33 15.973 -37.637 -3.524 1.00 22.12 N ATOM 505 CA GLY A 33 16.874 -36.636 -4.066 1.00 33.25 C ATOM 506 C GLY A 33 16.976 -36.706 -5.576 1.00 42.53 C ATOM 507 O GLY A 33 16.759 -35.709 -6.266 1.00 63.30 O ATOM 0 H GLY A 33 16.410 -38.532 -3.303 1.00 22.12 H new ATOM 0 HA2 GLY A 33 16.529 -35.644 -3.774 1.00 33.25 H new ATOM 0 HA3 GLY A 33 17.865 -36.770 -3.631 1.00 33.25 H new TER 511 GLY A 33