USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 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 72 MET CE :methyl -139:sc= -1.19 (180deg=-3.36!) USER MOD Set 1.2: A 89 MET CE :methyl 166:sc= -1.18 (180deg=-0.289) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc=-0.000362 USER MOD Set 2.2: A 75 MET CE :methyl 177:sc= -1.86 (180deg=-1.83) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0.472 USER MOD Set 3.2: A 29 THR OG1 : rot 84:sc= 0.461 USER MOD Set 4.1: A 13 MET CE :methyl -139:sc= -0.243 (180deg=-1.19) USER MOD Set 4.2: A 15 SER OG : rot 140:sc= 0.515 USER MOD Single : A 3 TYR OH : rot 117:sc= 0.15 USER MOD Single : A 14 THR OG1 : rot 110:sc= -0.966 USER MOD Single : A 17 LYS NZ :NH3+ -125:sc= 1.26 (180deg=0.761) USER MOD Single : A 20 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.3) USER MOD Single : A 22 THR OG1 : rot -165:sc= 1.01 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.403 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -102:sc= 0.447 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -1.14 F(o=-2.8,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00819) USER MOD Single : A 88 GLN : amide:sc= 0.487 K(o=0.49,f=-4.2!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -12.655 13.064 5.380 1.00 0.00 N ATOM 30 CA TYR A 3 -11.688 13.452 4.364 1.00 0.00 C ATOM 31 C TYR A 3 -12.110 14.752 3.681 1.00 0.00 C ATOM 32 O TYR A 3 -11.281 15.623 3.428 1.00 0.00 O ATOM 33 CB TYR A 3 -11.620 12.329 3.328 1.00 0.00 C ATOM 34 CG TYR A 3 -11.042 11.043 3.879 1.00 0.00 C ATOM 35 CD1 TYR A 3 -11.884 10.107 4.502 1.00 0.00 C ATOM 36 CD2 TYR A 3 -9.666 10.789 3.765 1.00 0.00 C ATOM 37 CE1 TYR A 3 -11.350 8.923 5.024 1.00 0.00 C ATOM 38 CE2 TYR A 3 -9.125 9.605 4.284 1.00 0.00 C ATOM 39 CZ TYR A 3 -9.966 8.666 4.917 1.00 0.00 C ATOM 40 OH TYR A 3 -9.448 7.514 5.429 1.00 0.00 O ATOM 0 HA TYR A 3 -10.715 13.615 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -12.622 12.135 2.946 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -11.015 12.659 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.944 10.301 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.024 11.507 3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.997 8.206 5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.066 9.412 4.199 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.072 6.974 4.703 1.00 0.00 H new ATOM 50 N GLY A 4 -13.408 14.863 3.389 1.00 0.00 N ATOM 51 CA GLY A 4 -14.009 15.956 2.654 1.00 0.00 C ATOM 52 C GLY A 4 -13.465 15.978 1.232 1.00 0.00 C ATOM 53 O GLY A 4 -14.108 15.471 0.314 1.00 0.00 O ATOM 0 H GLY A 4 -14.089 14.160 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.093 15.843 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.795 16.902 3.150 1.00 0.00 H new ATOM 57 N ARG A 5 -12.280 16.569 1.061 1.00 0.00 N ATOM 58 CA ARG A 5 -11.717 16.917 -0.247 1.00 0.00 C ATOM 59 C ARG A 5 -10.183 16.940 -0.211 1.00 0.00 C ATOM 60 O ARG A 5 -9.586 17.958 -0.557 1.00 0.00 O ATOM 61 CB ARG A 5 -12.245 18.290 -0.700 1.00 0.00 C ATOM 62 CG ARG A 5 -13.691 18.497 -0.252 1.00 0.00 C ATOM 63 CD ARG A 5 -14.351 19.752 -0.804 1.00 0.00 C ATOM 64 NE ARG A 5 -13.595 20.964 -0.459 1.00 0.00 N ATOM 65 CZ ARG A 5 -14.098 22.002 0.216 1.00 0.00 C ATOM 66 NH1 ARG A 5 -15.363 22.006 0.635 1.00 0.00 N ATOM 67 NH2 ARG A 5 -13.329 23.055 0.480 1.00 0.00 N ATOM 0 H ARG A 5 -11.674 16.824 1.841 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.029 16.151 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.616 19.079 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.182 18.367 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.279 17.630 -0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.718 18.537 0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.434 19.672 -1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.365 19.832 -0.411 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.620 21.017 -0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.967 21.207 0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.728 22.808 1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.358 23.069 0.167 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.710 23.849 0.995 1.00 0.00 H new ATOM 81 N PRO A 6 -9.520 15.847 0.197 1.00 0.00 N ATOM 82 CA PRO A 6 -8.086 15.846 0.437 1.00 0.00 C ATOM 83 C PRO A 6 -7.302 16.024 -0.867 1.00 0.00 C ATOM 84 O PRO A 6 -7.405 15.184 -1.762 1.00 0.00 O ATOM 85 CB PRO A 6 -7.798 14.491 1.084 1.00 0.00 C ATOM 86 CG PRO A 6 -8.910 13.595 0.547 1.00 0.00 C ATOM 87 CD PRO A 6 -10.105 14.545 0.444 1.00 0.00 C ATOM 0 HA PRO A 6 -7.778 16.674 1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.812 14.116 0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.823 14.553 2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.651 13.168 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.115 12.761 1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.775 14.252 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.693 14.543 1.362 1.00 0.00 H new ATOM 95 N PRO A 7 -6.515 17.103 -0.992 1.00 0.00 N ATOM 96 CA PRO A 7 -5.705 17.375 -2.168 1.00 0.00 C ATOM 97 C PRO A 7 -4.409 16.559 -2.139 1.00 0.00 C ATOM 98 O PRO A 7 -3.606 16.711 -1.217 1.00 0.00 O ATOM 99 CB PRO A 7 -5.401 18.870 -2.081 1.00 0.00 C ATOM 100 CG PRO A 7 -5.330 19.127 -0.574 1.00 0.00 C ATOM 101 CD PRO A 7 -6.365 18.158 -0.003 1.00 0.00 C ATOM 0 HA PRO A 7 -6.215 17.105 -3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.463 19.119 -2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.180 19.467 -2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.333 18.930 -0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.571 20.162 -0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.034 17.752 0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.314 18.662 0.176 1.00 0.00 H new ATOM 109 N PRO A 8 -4.188 15.686 -3.130 1.00 0.00 N ATOM 110 CA PRO A 8 -2.968 14.910 -3.277 1.00 0.00 C ATOM 111 C PRO A 8 -1.897 15.727 -4.008 1.00 0.00 C ATOM 112 O PRO A 8 -2.033 16.939 -4.167 1.00 0.00 O ATOM 113 CB PRO A 8 -3.406 13.700 -4.096 1.00 0.00 C ATOM 114 CG PRO A 8 -4.408 14.324 -5.069 1.00 0.00 C ATOM 115 CD PRO A 8 -5.122 15.354 -4.194 1.00 0.00 C ATOM 0 HA PRO A 8 -2.522 14.624 -2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.569 13.233 -4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.865 12.931 -3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.911 14.789 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.100 13.583 -5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.388 16.240 -4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.048 14.947 -3.788 1.00 0.00 H new ATOM 123 N ASP A 9 -0.829 15.059 -4.457 1.00 0.00 N ATOM 124 CA ASP A 9 0.305 15.684 -5.136 1.00 0.00 C ATOM 125 C ASP A 9 0.695 14.863 -6.370 1.00 0.00 C ATOM 126 O ASP A 9 1.875 14.727 -6.693 1.00 0.00 O ATOM 127 CB ASP A 9 1.472 15.810 -4.153 1.00 0.00 C ATOM 128 CG ASP A 9 1.117 16.720 -2.983 1.00 0.00 C ATOM 129 OD1 ASP A 9 1.185 17.955 -3.168 1.00 0.00 O ATOM 130 OD2 ASP A 9 0.778 16.175 -1.908 1.00 0.00 O ATOM 0 H ASP A 9 -0.729 14.049 -4.355 1.00 0.00 H new ATOM 0 HA ASP A 9 0.032 16.682 -5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.743 14.823 -3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.346 16.205 -4.671 1.00 0.00 H new ATOM 135 N VAL A 10 -0.316 14.311 -7.053 1.00 0.00 N ATOM 136 CA VAL A 10 -0.180 13.374 -8.169 1.00 0.00 C ATOM 137 C VAL A 10 0.498 13.962 -9.406 1.00 0.00 C ATOM 138 O VAL A 10 0.470 13.348 -10.469 1.00 0.00 O ATOM 139 CB VAL A 10 -1.565 12.831 -8.545 1.00 0.00 C ATOM 140 CG1 VAL A 10 -2.278 12.293 -7.303 1.00 0.00 C ATOM 141 CG2 VAL A 10 -2.444 13.912 -9.174 1.00 0.00 C ATOM 0 H VAL A 10 -1.290 14.515 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 10 0.476 12.576 -7.822 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.409 12.033 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.259 11.911 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.687 11.489 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.396 13.096 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.416 13.489 -9.427 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.577 14.730 -8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.966 14.289 -10.078 1.00 0.00 H new ATOM 151 N GLU A 11 1.105 15.146 -9.287 1.00 0.00 N ATOM 152 CA GLU A 11 1.747 15.845 -10.389 1.00 0.00 C ATOM 153 C GLU A 11 2.952 15.088 -10.967 1.00 0.00 C ATOM 154 O GLU A 11 3.596 15.579 -11.892 1.00 0.00 O ATOM 155 CB GLU A 11 2.158 17.237 -9.920 1.00 0.00 C ATOM 156 CG GLU A 11 0.929 18.066 -9.544 1.00 0.00 C ATOM 157 CD GLU A 11 1.338 19.476 -9.124 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.678 19.656 -7.934 1.00 0.00 O ATOM 159 OE2 GLU A 11 1.312 20.368 -10.000 1.00 0.00 O ATOM 0 H GLU A 11 1.162 15.650 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 11 1.024 15.917 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.824 17.155 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.716 17.742 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.245 18.117 -10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.391 17.580 -8.730 1.00 0.00 H new ATOM 166 N GLY A 12 3.267 13.903 -10.435 1.00 0.00 N ATOM 167 CA GLY A 12 4.372 13.091 -10.935 1.00 0.00 C ATOM 168 C GLY A 12 4.839 12.022 -9.941 1.00 0.00 C ATOM 169 O GLY A 12 5.699 11.209 -10.275 1.00 0.00 O ATOM 0 H GLY A 12 2.765 13.485 -9.651 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.066 12.606 -11.862 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.211 13.743 -11.178 1.00 0.00 H new ATOM 173 N MET A 13 4.287 12.008 -8.724 1.00 0.00 N ATOM 174 CA MET A 13 4.677 11.063 -7.685 1.00 0.00 C ATOM 175 C MET A 13 4.396 9.605 -8.074 1.00 0.00 C ATOM 176 O MET A 13 3.682 9.336 -9.039 1.00 0.00 O ATOM 177 CB MET A 13 3.980 11.454 -6.382 1.00 0.00 C ATOM 178 CG MET A 13 2.496 11.092 -6.406 1.00 0.00 C ATOM 179 SD MET A 13 1.530 11.908 -5.110 1.00 0.00 S ATOM 180 CE MET A 13 0.252 10.648 -4.888 1.00 0.00 C ATOM 0 H MET A 13 3.554 12.656 -8.435 1.00 0.00 H new ATOM 0 HA MET A 13 5.757 11.118 -7.549 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.464 10.951 -5.545 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.091 12.526 -6.217 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.081 11.358 -7.378 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.392 10.012 -6.300 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.718 11.131 -4.767 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.227 9.997 -5.762 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.475 10.056 -4.001 1.00 0.00 H new ATOM 190 N THR A 14 4.966 8.667 -7.310 1.00 0.00 N ATOM 191 CA THR A 14 4.930 7.234 -7.599 1.00 0.00 C ATOM 192 C THR A 14 3.517 6.654 -7.682 1.00 0.00 C ATOM 193 O THR A 14 3.311 5.657 -8.372 1.00 0.00 O ATOM 194 CB THR A 14 5.768 6.507 -6.540 1.00 0.00 C ATOM 195 OG1 THR A 14 7.127 6.794 -6.778 1.00 0.00 O ATOM 196 CG2 THR A 14 5.581 4.997 -6.596 1.00 0.00 C ATOM 0 H THR A 14 5.476 8.891 -6.455 1.00 0.00 H new ATOM 0 HA THR A 14 5.351 7.083 -8.593 1.00 0.00 H new ATOM 0 HB THR A 14 5.444 6.851 -5.558 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.468 7.376 -6.067 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.194 4.526 -5.828 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.533 4.754 -6.424 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.882 4.629 -7.577 1.00 0.00 H new ATOM 203 N SER A 15 2.541 7.259 -6.999 1.00 0.00 N ATOM 204 CA SER A 15 1.156 6.809 -6.978 1.00 0.00 C ATOM 205 C SER A 15 1.009 5.289 -6.854 1.00 0.00 C ATOM 206 O SER A 15 0.420 4.651 -7.726 1.00 0.00 O ATOM 207 CB SER A 15 0.411 7.347 -8.201 1.00 0.00 C ATOM 208 OG SER A 15 0.395 8.762 -8.173 1.00 0.00 O ATOM 0 H SER A 15 2.701 8.093 -6.434 1.00 0.00 H new ATOM 0 HA SER A 15 0.703 7.217 -6.075 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.894 6.998 -9.114 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.609 6.964 -8.214 1.00 0.00 H new ATOM 0 HG SER A 15 0.539 9.109 -9.078 1.00 0.00 H new ATOM 214 N LEU A 16 1.542 4.699 -5.777 1.00 0.00 N ATOM 215 CA LEU A 16 1.286 3.288 -5.498 1.00 0.00 C ATOM 216 C LEU A 16 -0.213 3.116 -5.262 1.00 0.00 C ATOM 217 O LEU A 16 -0.901 4.109 -5.040 1.00 0.00 O ATOM 218 CB LEU A 16 2.032 2.849 -4.239 1.00 0.00 C ATOM 219 CG LEU A 16 2.036 1.327 -4.023 1.00 0.00 C ATOM 220 CD1 LEU A 16 2.906 0.609 -5.053 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.568 1.017 -2.629 1.00 0.00 C ATOM 0 H LEU A 16 2.141 5.169 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 16 1.626 2.684 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.062 3.202 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.578 3.329 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 16 1.011 0.973 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.882 -0.464 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.526 0.811 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.932 0.968 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.572 -0.062 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.583 1.401 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.929 1.489 -1.883 1.00 0.00 H new ATOM 233 N LYS A 17 -0.701 1.875 -5.308 1.00 0.00 N ATOM 234 CA LYS A 17 -2.086 1.537 -5.043 1.00 0.00 C ATOM 235 C LYS A 17 -2.180 0.302 -4.145 1.00 0.00 C ATOM 236 O LYS A 17 -1.359 -0.608 -4.252 1.00 0.00 O ATOM 237 CB LYS A 17 -2.783 1.290 -6.377 1.00 0.00 C ATOM 238 CG LYS A 17 -4.203 0.756 -6.202 1.00 0.00 C ATOM 239 CD LYS A 17 -4.791 0.492 -7.580 1.00 0.00 C ATOM 240 CE LYS A 17 -4.135 -0.731 -8.227 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.841 -1.971 -7.853 1.00 0.00 N ATOM 0 H LYS A 17 -0.125 1.065 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.573 2.359 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.815 2.220 -6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.200 0.579 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.193 -0.161 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.815 1.477 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.866 0.332 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.647 1.366 -8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.139 -0.619 -9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.092 -0.795 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.166 -2.643 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.584 -1.752 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.271 -2.394 -8.700 1.00 0.00 H new ATOM 255 N VAL A 18 -3.185 0.276 -3.268 1.00 0.00 N ATOM 256 CA VAL A 18 -3.503 -0.881 -2.427 1.00 0.00 C ATOM 257 C VAL A 18 -4.996 -1.185 -2.545 1.00 0.00 C ATOM 258 O VAL A 18 -5.786 -0.260 -2.741 1.00 0.00 O ATOM 259 CB VAL A 18 -3.205 -0.578 -0.957 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.585 -1.773 -0.077 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.738 -0.227 -0.730 1.00 0.00 C ATOM 0 H VAL A 18 -3.810 1.068 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.898 -1.725 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.806 0.289 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.367 -1.541 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.649 -1.982 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.010 -2.647 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.573 -0.020 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.112 -1.064 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.480 0.654 -1.317 1.00 0.00 H new ATOM 271 N ASP A 19 -5.360 -2.466 -2.423 1.00 0.00 N ATOM 272 CA ASP A 19 -6.731 -2.969 -2.452 1.00 0.00 C ATOM 273 C ASP A 19 -6.836 -4.266 -1.635 1.00 0.00 C ATOM 274 O ASP A 19 -5.897 -4.623 -0.922 1.00 0.00 O ATOM 275 CB ASP A 19 -7.133 -3.267 -3.899 1.00 0.00 C ATOM 276 CG ASP A 19 -7.085 -2.025 -4.780 1.00 0.00 C ATOM 277 OD1 ASP A 19 -8.054 -1.239 -4.727 1.00 0.00 O ATOM 278 OD2 ASP A 19 -6.076 -1.876 -5.496 1.00 0.00 O ATOM 0 H ASP A 19 -4.674 -3.210 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.391 -2.214 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.468 -4.027 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.140 -3.683 -3.916 1.00 0.00 H new ATOM 283 N ASN A 20 -7.975 -4.966 -1.746 1.00 0.00 N ATOM 284 CA ASN A 20 -8.202 -6.310 -1.206 1.00 0.00 C ATOM 285 C ASN A 20 -8.618 -6.314 0.270 1.00 0.00 C ATOM 286 O ASN A 20 -8.366 -7.282 0.982 1.00 0.00 O ATOM 287 CB ASN A 20 -6.993 -7.216 -1.475 1.00 0.00 C ATOM 288 CG ASN A 20 -7.351 -8.454 -2.278 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.238 -8.437 -3.125 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.646 -9.545 -2.006 1.00 0.00 N ATOM 0 H ASN A 20 -8.792 -4.596 -2.232 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.058 -6.723 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.232 -6.649 -2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.554 -7.520 -0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.834 -10.412 -2.509 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.917 -9.516 -1.294 1.00 0.00 H new ATOM 297 N LEU A 21 -9.256 -5.235 0.735 1.00 0.00 N ATOM 298 CA LEU A 21 -9.708 -5.083 2.108 1.00 0.00 C ATOM 299 C LEU A 21 -10.582 -6.267 2.501 1.00 0.00 C ATOM 300 O LEU A 21 -11.625 -6.508 1.894 1.00 0.00 O ATOM 301 CB LEU A 21 -10.528 -3.793 2.238 1.00 0.00 C ATOM 302 CG LEU A 21 -9.722 -2.491 2.226 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.319 -2.141 3.650 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.456 -2.548 1.368 1.00 0.00 C ATOM 0 H LEU A 21 -9.474 -4.429 0.149 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.839 -5.038 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.250 -3.759 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.097 -3.838 3.166 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.372 -1.736 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.745 -1.215 3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.213 -2.012 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.710 -2.945 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.943 -1.588 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.796 -3.330 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.726 -2.767 0.335 1.00 0.00 H new ATOM 316 N THR A 22 -10.160 -7.016 3.520 1.00 0.00 N ATOM 317 CA THR A 22 -10.928 -8.145 4.007 1.00 0.00 C ATOM 318 C THR A 22 -12.188 -7.654 4.724 1.00 0.00 C ATOM 319 O THR A 22 -12.336 -6.462 4.983 1.00 0.00 O ATOM 320 CB THR A 22 -10.041 -9.003 4.916 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.820 -9.264 4.260 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.696 -10.339 5.238 1.00 0.00 C ATOM 0 H THR A 22 -9.286 -6.854 4.021 1.00 0.00 H new ATOM 0 HA THR A 22 -11.256 -8.765 3.173 1.00 0.00 H new ATOM 0 HB THR A 22 -9.884 -8.452 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.350 -9.990 4.721 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.038 -10.920 5.884 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.644 -10.166 5.747 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.875 -10.889 4.314 1.00 0.00 H new ATOM 329 N TYR A 23 -13.097 -8.580 5.043 1.00 0.00 N ATOM 330 CA TYR A 23 -14.385 -8.296 5.666 1.00 0.00 C ATOM 331 C TYR A 23 -14.271 -7.663 7.062 1.00 0.00 C ATOM 332 O TYR A 23 -15.288 -7.470 7.725 1.00 0.00 O ATOM 333 CB TYR A 23 -15.186 -9.594 5.746 1.00 0.00 C ATOM 334 CG TYR A 23 -14.552 -10.659 6.618 1.00 0.00 C ATOM 335 CD1 TYR A 23 -14.848 -10.713 7.987 1.00 0.00 C ATOM 336 CD2 TYR A 23 -13.666 -11.590 6.055 1.00 0.00 C ATOM 337 CE1 TYR A 23 -14.258 -11.695 8.797 1.00 0.00 C ATOM 338 CE2 TYR A 23 -13.072 -12.575 6.858 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.367 -12.631 8.234 1.00 0.00 C ATOM 340 OH TYR A 23 -12.789 -13.588 9.017 1.00 0.00 O ATOM 0 H TYR A 23 -12.949 -9.574 4.869 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.890 -7.558 5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.182 -9.371 6.129 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.314 -9.992 4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.532 -9.997 8.419 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.441 -11.548 5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.487 -11.734 9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.390 -13.289 6.422 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.204 -14.150 8.468 1.00 0.00 H new ATOM 350 N ARG A 24 -13.056 -7.341 7.516 1.00 0.00 N ATOM 351 CA ARG A 24 -12.816 -6.801 8.851 1.00 0.00 C ATOM 352 C ARG A 24 -11.939 -5.552 8.814 1.00 0.00 C ATOM 353 O ARG A 24 -11.425 -5.127 9.848 1.00 0.00 O ATOM 354 CB ARG A 24 -12.172 -7.897 9.701 1.00 0.00 C ATOM 355 CG ARG A 24 -10.728 -8.141 9.260 1.00 0.00 C ATOM 356 CD ARG A 24 -10.194 -9.400 9.934 1.00 0.00 C ATOM 357 NE ARG A 24 -8.732 -9.465 9.857 1.00 0.00 N ATOM 358 CZ ARG A 24 -8.035 -9.926 8.813 1.00 0.00 C ATOM 359 NH1 ARG A 24 -8.647 -10.428 7.747 1.00 0.00 N ATOM 360 NH2 ARG A 24 -6.708 -9.887 8.833 1.00 0.00 N ATOM 0 H ARG A 24 -12.207 -7.450 6.961 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.766 -6.494 9.289 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.193 -7.609 10.752 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.746 -8.819 9.611 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.681 -8.249 8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.107 -7.284 9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.507 -9.417 10.978 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.625 -10.281 9.458 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.204 -9.132 10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.666 -10.467 7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.098 -10.775 6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.221 -9.506 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.175 -10.238 8.037 1.00 0.00 H new ATOM 374 N THR A 25 -11.764 -4.963 7.628 1.00 0.00 N ATOM 375 CA THR A 25 -10.839 -3.849 7.438 1.00 0.00 C ATOM 376 C THR A 25 -11.572 -2.605 6.932 1.00 0.00 C ATOM 377 O THR A 25 -12.714 -2.687 6.475 1.00 0.00 O ATOM 378 CB THR A 25 -9.716 -4.286 6.489 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.353 -5.625 6.754 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.474 -3.425 6.693 1.00 0.00 C ATOM 0 H THR A 25 -12.257 -5.244 6.780 1.00 0.00 H new ATOM 0 HA THR A 25 -10.395 -3.575 8.395 1.00 0.00 H new ATOM 0 HB THR A 25 -10.084 -4.179 5.469 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.637 -5.897 6.143 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.689 -3.751 6.011 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.718 -2.382 6.494 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.126 -3.526 7.721 1.00 0.00 H new ATOM 387 N SER A 26 -10.909 -1.448 7.015 1.00 0.00 N ATOM 388 CA SER A 26 -11.484 -0.149 6.698 1.00 0.00 C ATOM 389 C SER A 26 -10.389 0.773 6.160 1.00 0.00 C ATOM 390 O SER A 26 -9.207 0.438 6.275 1.00 0.00 O ATOM 391 CB SER A 26 -12.076 0.409 7.997 1.00 0.00 C ATOM 392 OG SER A 26 -11.035 0.681 8.914 1.00 0.00 O ATOM 0 H SER A 26 -9.935 -1.393 7.312 1.00 0.00 H new ATOM 0 HA SER A 26 -12.259 -0.229 5.935 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.639 1.319 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.775 -0.308 8.427 1.00 0.00 H new ATOM 0 HG SER A 26 -11.415 1.039 9.743 1.00 0.00 H new ATOM 398 N PRO A 27 -10.735 1.932 5.581 1.00 0.00 N ATOM 399 CA PRO A 27 -9.753 2.866 5.043 1.00 0.00 C ATOM 400 C PRO A 27 -8.966 3.524 6.172 1.00 0.00 C ATOM 401 O PRO A 27 -7.803 3.882 5.996 1.00 0.00 O ATOM 402 CB PRO A 27 -10.574 3.907 4.277 1.00 0.00 C ATOM 403 CG PRO A 27 -11.912 3.900 5.012 1.00 0.00 C ATOM 404 CD PRO A 27 -12.083 2.436 5.401 1.00 0.00 C ATOM 0 HA PRO A 27 -9.023 2.371 4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.104 4.890 4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.689 3.637 3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.895 4.550 5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.725 4.245 4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.666 2.337 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.611 1.881 4.625 1.00 0.00 H new ATOM 412 N ASP A 28 -9.592 3.680 7.341 1.00 0.00 N ATOM 413 CA ASP A 28 -8.926 4.246 8.503 1.00 0.00 C ATOM 414 C ASP A 28 -7.836 3.291 8.990 1.00 0.00 C ATOM 415 O ASP A 28 -6.784 3.728 9.457 1.00 0.00 O ATOM 416 CB ASP A 28 -9.970 4.474 9.597 1.00 0.00 C ATOM 417 CG ASP A 28 -10.918 5.618 9.244 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.524 6.784 9.465 1.00 0.00 O ATOM 419 OD2 ASP A 28 -12.027 5.312 8.752 1.00 0.00 O ATOM 0 H ASP A 28 -10.565 3.419 7.502 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.456 5.195 8.245 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.544 3.560 9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.468 4.695 10.539 1.00 0.00 H new ATOM 424 N THR A 29 -8.080 1.981 8.876 1.00 0.00 N ATOM 425 CA THR A 29 -7.070 1.000 9.238 1.00 0.00 C ATOM 426 C THR A 29 -5.993 0.979 8.164 1.00 0.00 C ATOM 427 O THR A 29 -4.807 0.963 8.476 1.00 0.00 O ATOM 428 CB THR A 29 -7.694 -0.389 9.373 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.666 -0.384 10.394 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.611 -1.401 9.740 1.00 0.00 C ATOM 0 H THR A 29 -8.958 1.586 8.540 1.00 0.00 H new ATOM 0 HA THR A 29 -6.633 1.274 10.198 1.00 0.00 H new ATOM 0 HB THR A 29 -8.157 -0.659 8.424 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.518 -0.062 10.033 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.056 -2.391 9.836 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.850 -1.419 8.959 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.152 -1.116 10.687 1.00 0.00 H new ATOM 437 N LEU A 30 -6.395 0.979 6.890 1.00 0.00 N ATOM 438 CA LEU A 30 -5.450 0.955 5.784 1.00 0.00 C ATOM 439 C LEU A 30 -4.481 2.130 5.872 1.00 0.00 C ATOM 440 O LEU A 30 -3.404 2.080 5.289 1.00 0.00 O ATOM 441 CB LEU A 30 -6.240 0.979 4.473 1.00 0.00 C ATOM 442 CG LEU A 30 -6.057 -0.272 3.608 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.676 -0.301 2.964 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.238 -1.552 4.424 1.00 0.00 C ATOM 0 H LEU A 30 -7.374 0.995 6.604 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.849 0.046 5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.299 1.097 4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.939 1.853 3.896 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.823 -0.227 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.577 -1.201 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.550 0.579 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.912 -0.302 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.101 -2.418 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.502 -1.579 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.241 -1.573 4.851 1.00 0.00 H new ATOM 456 N ARG A 31 -4.854 3.185 6.604 1.00 0.00 N ATOM 457 CA ARG A 31 -3.991 4.340 6.765 1.00 0.00 C ATOM 458 C ARG A 31 -2.931 4.045 7.812 1.00 0.00 C ATOM 459 O ARG A 31 -1.746 4.134 7.515 1.00 0.00 O ATOM 460 CB ARG A 31 -4.828 5.545 7.191 1.00 0.00 C ATOM 461 CG ARG A 31 -3.964 6.766 7.529 1.00 0.00 C ATOM 462 CD ARG A 31 -2.997 7.141 6.402 1.00 0.00 C ATOM 463 NE ARG A 31 -2.157 8.278 6.793 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.131 9.470 6.193 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.917 9.742 5.155 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.297 10.401 6.643 1.00 0.00 N ATOM 0 H ARG A 31 -5.748 3.255 7.090 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.500 4.563 5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.521 5.804 6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.430 5.277 8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.612 7.616 7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.395 6.563 8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.368 6.285 6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.559 7.391 5.502 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.539 8.146 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.558 9.032 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.879 10.661 4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.688 10.200 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.265 11.317 6.195 1.00 0.00 H new ATOM 480 N ARG A 32 -3.338 3.691 9.036 1.00 0.00 N ATOM 481 CA ARG A 32 -2.379 3.465 10.115 1.00 0.00 C ATOM 482 C ARG A 32 -1.529 2.220 9.874 1.00 0.00 C ATOM 483 O ARG A 32 -0.513 2.033 10.539 1.00 0.00 O ATOM 484 CB ARG A 32 -3.120 3.425 11.458 1.00 0.00 C ATOM 485 CG ARG A 32 -4.117 2.267 11.585 1.00 0.00 C ATOM 486 CD ARG A 32 -3.464 0.975 12.079 1.00 0.00 C ATOM 487 NE ARG A 32 -2.930 1.125 13.437 1.00 0.00 N ATOM 488 CZ ARG A 32 -2.310 0.155 14.113 1.00 0.00 C ATOM 489 NH1 ARG A 32 -2.127 -1.047 13.571 1.00 0.00 N ATOM 490 NH2 ARG A 32 -1.869 0.390 15.347 1.00 0.00 N ATOM 0 H ARG A 32 -4.314 3.557 9.299 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.674 4.296 10.140 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.389 3.351 12.263 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.652 4.366 11.596 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.913 2.553 12.273 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.582 2.086 10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.196 0.167 12.062 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.660 0.691 11.400 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.040 2.030 13.895 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.462 -1.237 12.627 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.651 -1.778 14.100 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.006 1.307 15.771 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.395 -0.347 15.868 1.00 0.00 H new ATOM 504 N VAL A 33 -1.941 1.367 8.932 1.00 0.00 N ATOM 505 CA VAL A 33 -1.228 0.144 8.591 1.00 0.00 C ATOM 506 C VAL A 33 -0.199 0.385 7.494 1.00 0.00 C ATOM 507 O VAL A 33 0.838 -0.273 7.486 1.00 0.00 O ATOM 508 CB VAL A 33 -2.249 -0.906 8.135 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.575 -2.141 7.550 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.097 -1.339 9.332 1.00 0.00 C ATOM 0 H VAL A 33 -2.788 1.512 8.382 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.689 -0.208 9.471 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.865 -0.450 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.335 -2.858 7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.974 -1.853 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.932 -2.596 8.304 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.824 -2.085 9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.452 -1.767 10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.620 -0.474 9.739 1.00 0.00 H new ATOM 520 N PHE A 34 -0.465 1.312 6.575 1.00 0.00 N ATOM 521 CA PHE A 34 0.462 1.616 5.493 1.00 0.00 C ATOM 522 C PHE A 34 1.232 2.921 5.735 1.00 0.00 C ATOM 523 O PHE A 34 2.174 3.218 5.005 1.00 0.00 O ATOM 524 CB PHE A 34 -0.320 1.641 4.183 1.00 0.00 C ATOM 525 CG PHE A 34 -0.485 0.277 3.551 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.466 -0.604 4.023 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.339 -0.119 2.489 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.628 -1.865 3.439 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.187 -1.382 1.902 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.802 -2.257 2.376 1.00 0.00 C ATOM 0 H PHE A 34 -1.321 1.867 6.561 1.00 0.00 H new ATOM 0 HA PHE A 34 1.225 0.839 5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.306 2.069 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.188 2.300 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.102 -0.308 4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.098 0.555 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.389 -2.537 3.807 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.829 -1.681 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.927 -3.230 1.923 1.00 0.00 H new ATOM 540 N GLU A 35 0.852 3.698 6.746 1.00 0.00 N ATOM 541 CA GLU A 35 1.547 4.936 7.073 1.00 0.00 C ATOM 542 C GLU A 35 2.919 4.647 7.681 1.00 0.00 C ATOM 543 O GLU A 35 3.829 5.463 7.556 1.00 0.00 O ATOM 544 CB GLU A 35 0.682 5.743 8.040 1.00 0.00 C ATOM 545 CG GLU A 35 1.384 7.001 8.541 1.00 0.00 C ATOM 546 CD GLU A 35 0.424 7.888 9.333 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.274 7.647 10.552 1.00 0.00 O ATOM 548 OE2 GLU A 35 -0.155 8.805 8.711 1.00 0.00 O ATOM 0 H GLU A 35 0.061 3.489 7.355 1.00 0.00 H new ATOM 0 HA GLU A 35 1.711 5.513 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.248 6.023 7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.414 5.117 8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.230 6.723 9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.785 7.559 7.695 1.00 0.00 H new ATOM 555 N LYS A 36 3.083 3.490 8.336 1.00 0.00 N ATOM 556 CA LYS A 36 4.341 3.146 8.993 1.00 0.00 C ATOM 557 C LYS A 36 5.466 2.895 7.987 1.00 0.00 C ATOM 558 O LYS A 36 6.640 3.024 8.330 1.00 0.00 O ATOM 559 CB LYS A 36 4.146 1.929 9.894 1.00 0.00 C ATOM 560 CG LYS A 36 3.760 0.669 9.112 1.00 0.00 C ATOM 561 CD LYS A 36 3.560 -0.486 10.091 1.00 0.00 C ATOM 562 CE LYS A 36 3.187 -1.756 9.327 1.00 0.00 C ATOM 563 NZ LYS A 36 3.010 -2.896 10.245 1.00 0.00 N ATOM 0 H LYS A 36 2.357 2.779 8.422 1.00 0.00 H new ATOM 0 HA LYS A 36 4.640 4.000 9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.066 1.741 10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.371 2.147 10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.846 0.844 8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.539 0.420 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.472 -0.651 10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.775 -0.237 10.805 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.267 -1.590 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.965 -1.988 8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.757 -3.745 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.897 -3.067 10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.251 -2.681 10.923 1.00 0.00 H new ATOM 577 N TYR A 37 5.116 2.541 6.752 1.00 0.00 N ATOM 578 CA TYR A 37 6.096 2.325 5.702 1.00 0.00 C ATOM 579 C TYR A 37 6.693 3.644 5.213 1.00 0.00 C ATOM 580 O TYR A 37 7.741 3.642 4.572 1.00 0.00 O ATOM 581 CB TYR A 37 5.456 1.559 4.542 1.00 0.00 C ATOM 582 CG TYR A 37 5.077 0.148 4.925 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.875 -0.094 5.603 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.934 -0.916 4.603 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.537 -1.402 5.981 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.598 -2.224 4.975 1.00 0.00 C ATOM 587 CZ TYR A 37 4.399 -2.473 5.673 1.00 0.00 C ATOM 588 OH TYR A 37 4.094 -3.749 6.042 1.00 0.00 O ATOM 0 H TYR A 37 4.150 2.398 6.457 1.00 0.00 H new ATOM 0 HA TYR A 37 6.912 1.731 6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.567 2.092 4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.150 1.531 3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.210 0.725 5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.853 -0.726 4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.614 -1.588 6.509 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.258 -3.042 4.727 1.00 0.00 H new ATOM 0 HH TYR A 37 4.804 -4.355 5.743 1.00 0.00 H new ATOM 598 N GLY A 38 6.040 4.772 5.515 1.00 0.00 N ATOM 599 CA GLY A 38 6.583 6.081 5.188 1.00 0.00 C ATOM 600 C GLY A 38 5.517 7.165 5.244 1.00 0.00 C ATOM 601 O GLY A 38 5.417 7.887 6.237 1.00 0.00 O ATOM 0 H GLY A 38 5.135 4.797 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.386 6.325 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.022 6.054 4.191 1.00 0.00 H new ATOM 605 N ARG A 39 4.719 7.279 4.177 1.00 0.00 N ATOM 606 CA ARG A 39 3.627 8.241 4.102 1.00 0.00 C ATOM 607 C ARG A 39 2.625 7.829 3.031 1.00 0.00 C ATOM 608 O ARG A 39 2.913 6.982 2.186 1.00 0.00 O ATOM 609 CB ARG A 39 4.170 9.651 3.847 1.00 0.00 C ATOM 610 CG ARG A 39 5.167 9.717 2.693 1.00 0.00 C ATOM 611 CD ARG A 39 5.508 11.180 2.391 1.00 0.00 C ATOM 612 NE ARG A 39 6.208 11.807 3.516 1.00 0.00 N ATOM 613 CZ ARG A 39 7.533 11.783 3.680 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.321 11.174 2.801 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.080 12.375 4.737 1.00 0.00 N ATOM 0 H ARG A 39 4.817 6.702 3.341 1.00 0.00 H new ATOM 0 HA ARG A 39 3.105 8.253 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.336 10.321 3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.651 10.017 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.073 9.168 2.950 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.746 9.241 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.130 11.234 1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.593 11.732 2.176 1.00 0.00 H new ATOM 0 HE ARG A 39 5.648 12.292 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.916 10.715 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.331 11.165 2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.488 12.846 5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.092 12.358 4.864 1.00 0.00 H new ATOM 629 N VAL A 40 1.442 8.444 3.082 1.00 0.00 N ATOM 630 CA VAL A 40 0.326 8.124 2.205 1.00 0.00 C ATOM 631 C VAL A 40 -0.234 9.424 1.648 1.00 0.00 C ATOM 632 O VAL A 40 -0.249 10.441 2.340 1.00 0.00 O ATOM 633 CB VAL A 40 -0.746 7.364 3.003 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.901 6.915 2.115 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.148 6.118 3.662 1.00 0.00 C ATOM 0 H VAL A 40 1.234 9.190 3.746 1.00 0.00 H new ATOM 0 HA VAL A 40 0.652 7.491 1.380 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.118 8.056 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.637 6.382 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.369 7.787 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.524 6.255 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.923 5.595 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.253 5.457 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.652 6.414 4.340 1.00 0.00 H new ATOM 645 N GLY A 41 -0.692 9.392 0.395 1.00 0.00 N ATOM 646 CA GLY A 41 -1.234 10.561 -0.279 1.00 0.00 C ATOM 647 C GLY A 41 -2.748 10.449 -0.422 1.00 0.00 C ATOM 648 O GLY A 41 -3.423 11.461 -0.589 1.00 0.00 O ATOM 0 H GLY A 41 -0.695 8.548 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.983 11.460 0.284 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.778 10.663 -1.264 1.00 0.00 H new ATOM 652 N ASP A 42 -3.284 9.229 -0.355 1.00 0.00 N ATOM 653 CA ASP A 42 -4.722 9.024 -0.331 1.00 0.00 C ATOM 654 C ASP A 42 -5.045 7.640 0.224 1.00 0.00 C ATOM 655 O ASP A 42 -4.210 6.737 0.195 1.00 0.00 O ATOM 656 CB ASP A 42 -5.295 9.185 -1.744 1.00 0.00 C ATOM 657 CG ASP A 42 -6.814 9.301 -1.727 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.359 9.596 -0.640 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.421 9.096 -2.799 1.00 0.00 O ATOM 0 H ASP A 42 -2.736 8.369 -0.317 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.179 9.771 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.868 10.072 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.002 8.331 -2.355 1.00 0.00 H new ATOM 664 N VAL A 43 -6.267 7.473 0.729 1.00 0.00 N ATOM 665 CA VAL A 43 -6.753 6.224 1.294 1.00 0.00 C ATOM 666 C VAL A 43 -8.257 6.347 1.512 1.00 0.00 C ATOM 667 O VAL A 43 -8.703 6.844 2.543 1.00 0.00 O ATOM 668 CB VAL A 43 -5.997 5.882 2.593 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.879 7.065 3.557 1.00 0.00 C ATOM 670 CG2 VAL A 43 -6.648 4.705 3.318 1.00 0.00 C ATOM 0 H VAL A 43 -6.959 8.222 0.755 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.567 5.399 0.607 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.989 5.612 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.336 6.754 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.341 7.879 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.875 7.406 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.093 4.487 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.677 4.958 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.639 3.829 2.670 1.00 0.00 H new ATOM 680 N TYR A 44 -9.056 5.905 0.537 1.00 0.00 N ATOM 681 CA TYR A 44 -10.497 5.997 0.691 1.00 0.00 C ATOM 682 C TYR A 44 -11.257 4.935 -0.108 1.00 0.00 C ATOM 683 O TYR A 44 -10.692 4.251 -0.964 1.00 0.00 O ATOM 684 CB TYR A 44 -10.939 7.442 0.429 1.00 0.00 C ATOM 685 CG TYR A 44 -11.652 7.760 -0.866 1.00 0.00 C ATOM 686 CD1 TYR A 44 -11.120 7.404 -2.119 1.00 0.00 C ATOM 687 CD2 TYR A 44 -12.867 8.456 -0.791 1.00 0.00 C ATOM 688 CE1 TYR A 44 -11.831 7.718 -3.286 1.00 0.00 C ATOM 689 CE2 TYR A 44 -13.562 8.798 -1.955 1.00 0.00 C ATOM 690 CZ TYR A 44 -13.051 8.415 -3.210 1.00 0.00 C ATOM 691 OH TYR A 44 -13.731 8.716 -4.350 1.00 0.00 O ATOM 0 H TYR A 44 -8.736 5.493 -0.339 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.765 5.758 1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.593 7.741 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.052 8.074 0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.171 6.893 -2.181 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -13.269 8.730 0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -11.440 7.423 -4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.486 9.353 -1.892 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.554 9.198 -4.123 1.00 0.00 H new ATOM 701 N ILE A 45 -12.552 4.810 0.199 1.00 0.00 N ATOM 702 CA ILE A 45 -13.438 3.807 -0.375 1.00 0.00 C ATOM 703 C ILE A 45 -14.216 4.464 -1.509 1.00 0.00 C ATOM 704 O ILE A 45 -15.151 5.218 -1.246 1.00 0.00 O ATOM 705 CB ILE A 45 -14.377 3.274 0.722 1.00 0.00 C ATOM 706 CG1 ILE A 45 -13.608 2.914 1.997 1.00 0.00 C ATOM 707 CG2 ILE A 45 -15.130 2.033 0.242 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.582 1.809 1.755 1.00 0.00 C ATOM 0 H ILE A 45 -13.019 5.420 0.870 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.878 2.961 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.084 4.073 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.102 3.801 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -14.311 2.594 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.787 1.676 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.725 2.285 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.416 1.251 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.061 1.586 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.090 0.912 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.862 2.139 1.006 1.00 0.00 H new ATOM 720 N PRO A 46 -13.849 4.197 -2.768 1.00 0.00 N ATOM 721 CA PRO A 46 -14.406 4.899 -3.909 1.00 0.00 C ATOM 722 C PRO A 46 -15.844 4.470 -4.181 1.00 0.00 C ATOM 723 O PRO A 46 -16.695 5.331 -4.383 1.00 0.00 O ATOM 724 CB PRO A 46 -13.489 4.539 -5.073 1.00 0.00 C ATOM 725 CG PRO A 46 -12.967 3.152 -4.705 1.00 0.00 C ATOM 726 CD PRO A 46 -12.853 3.226 -3.183 1.00 0.00 C ATOM 0 HA PRO A 46 -14.452 5.975 -3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.029 4.526 -6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.676 5.258 -5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.652 2.365 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.005 2.945 -5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.039 2.253 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.853 3.535 -2.879 1.00 0.00 H new ATOM 734 N ARG A 47 -16.088 3.151 -4.171 1.00 0.00 N ATOM 735 CA ARG A 47 -17.365 2.472 -4.409 1.00 0.00 C ATOM 736 C ARG A 47 -18.274 3.085 -5.484 1.00 0.00 C ATOM 737 O ARG A 47 -17.948 4.076 -6.134 1.00 0.00 O ATOM 738 CB ARG A 47 -18.087 2.272 -3.063 1.00 0.00 C ATOM 739 CG ARG A 47 -18.303 3.544 -2.228 1.00 0.00 C ATOM 740 CD ARG A 47 -19.295 4.522 -2.867 1.00 0.00 C ATOM 741 NE ARG A 47 -19.568 5.655 -1.972 1.00 0.00 N ATOM 742 CZ ARG A 47 -19.070 6.888 -2.119 1.00 0.00 C ATOM 743 NH1 ARG A 47 -18.225 7.178 -3.102 1.00 0.00 N ATOM 744 NH2 ARG A 47 -19.419 7.850 -1.273 1.00 0.00 N ATOM 0 H ARG A 47 -15.340 2.484 -3.982 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.116 1.508 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.058 1.817 -3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.515 1.561 -2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.664 3.265 -1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.346 4.046 -2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.893 4.889 -3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.226 4.003 -3.097 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.185 5.489 -1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.944 6.454 -3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.857 8.125 -3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.067 7.649 -0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.039 8.790 -1.385 1.00 0.00 H new ATOM 758 N ASP A 48 -19.446 2.475 -5.678 1.00 0.00 N ATOM 759 CA ASP A 48 -20.480 3.081 -6.498 1.00 0.00 C ATOM 760 C ASP A 48 -21.138 4.176 -5.673 1.00 0.00 C ATOM 761 O ASP A 48 -21.889 3.899 -4.742 1.00 0.00 O ATOM 762 CB ASP A 48 -21.498 2.044 -6.959 1.00 0.00 C ATOM 763 CG ASP A 48 -20.909 1.065 -7.971 1.00 0.00 C ATOM 764 OD1 ASP A 48 -20.065 1.503 -8.783 1.00 0.00 O ATOM 765 OD2 ASP A 48 -21.309 -0.122 -7.928 1.00 0.00 O ATOM 0 H ASP A 48 -19.695 1.570 -5.279 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.044 3.505 -7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.868 1.492 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.354 2.551 -7.403 1.00 0.00 H new ATOM 770 N ARG A 49 -20.832 5.419 -6.032 1.00 0.00 N ATOM 771 CA ARG A 49 -21.214 6.654 -5.359 1.00 0.00 C ATOM 772 C ARG A 49 -22.726 6.817 -5.124 1.00 0.00 C ATOM 773 O ARG A 49 -23.143 7.829 -4.561 1.00 0.00 O ATOM 774 CB ARG A 49 -20.568 7.775 -6.186 1.00 0.00 C ATOM 775 CG ARG A 49 -21.383 9.051 -6.355 1.00 0.00 C ATOM 776 CD ARG A 49 -20.663 9.952 -7.352 1.00 0.00 C ATOM 777 NE ARG A 49 -21.447 11.172 -7.611 1.00 0.00 N ATOM 778 CZ ARG A 49 -21.070 12.415 -7.299 1.00 0.00 C ATOM 779 NH1 ARG A 49 -19.892 12.666 -6.734 1.00 0.00 N ATOM 780 NH2 ARG A 49 -21.887 13.430 -7.556 1.00 0.00 N ATOM 0 H ARG A 49 -20.269 5.602 -6.863 1.00 0.00 H new ATOM 0 HA ARG A 49 -20.851 6.668 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.617 8.037 -5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.342 7.381 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.386 8.816 -6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.496 9.559 -5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.681 10.221 -6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.500 9.413 -8.285 1.00 0.00 H new ATOM 0 HE ARG A 49 -22.353 11.058 -8.066 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.251 11.899 -6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.630 13.625 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -22.795 13.257 -7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -21.607 14.382 -7.321 1.00 0.00 H new ATOM 794 N TYR A 50 -23.550 5.851 -5.538 1.00 0.00 N ATOM 795 CA TYR A 50 -24.998 5.940 -5.408 1.00 0.00 C ATOM 796 C TYR A 50 -25.623 4.619 -4.944 1.00 0.00 C ATOM 797 O TYR A 50 -26.843 4.547 -4.793 1.00 0.00 O ATOM 798 CB TYR A 50 -25.581 6.384 -6.746 1.00 0.00 C ATOM 799 CG TYR A 50 -25.137 5.484 -7.874 1.00 0.00 C ATOM 800 CD1 TYR A 50 -23.935 5.750 -8.544 1.00 0.00 C ATOM 801 CD2 TYR A 50 -25.914 4.376 -8.228 1.00 0.00 C ATOM 802 CE1 TYR A 50 -23.499 4.893 -9.561 1.00 0.00 C ATOM 803 CE2 TYR A 50 -25.481 3.510 -9.242 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.271 3.769 -9.919 1.00 0.00 C ATOM 805 OH TYR A 50 -23.850 2.934 -10.910 1.00 0.00 O ATOM 0 H TYR A 50 -23.227 4.986 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 50 -25.235 6.673 -4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -26.669 6.384 -6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -25.273 7.409 -6.955 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -23.346 6.615 -8.276 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -26.848 4.187 -7.720 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -22.569 5.093 -10.073 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -26.073 2.646 -9.504 1.00 0.00 H new ATOM 0 HH TYR A 50 -24.501 2.211 -11.027 1.00 0.00 H new ATOM 815 N THR A 51 -24.818 3.576 -4.706 1.00 0.00 N ATOM 816 CA THR A 51 -25.311 2.332 -4.104 1.00 0.00 C ATOM 817 C THR A 51 -24.481 1.942 -2.884 1.00 0.00 C ATOM 818 O THR A 51 -24.933 1.164 -2.045 1.00 0.00 O ATOM 819 CB THR A 51 -25.321 1.171 -5.098 1.00 0.00 C ATOM 820 OG1 THR A 51 -24.000 0.775 -5.378 1.00 0.00 O ATOM 821 CG2 THR A 51 -25.989 1.567 -6.408 1.00 0.00 C ATOM 0 H THR A 51 -23.821 3.570 -4.922 1.00 0.00 H new ATOM 0 HA THR A 51 -26.338 2.529 -3.797 1.00 0.00 H new ATOM 0 HB THR A 51 -25.882 0.353 -4.645 1.00 0.00 H new ATOM 0 HG1 THR A 51 -24.010 0.030 -6.014 1.00 0.00 H new ATOM 0 HG21 THR A 51 -25.979 0.719 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 51 -27.019 1.866 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 51 -25.447 2.400 -6.855 1.00 0.00 H new ATOM 828 N LYS A 52 -23.267 2.495 -2.792 1.00 0.00 N ATOM 829 CA LYS A 52 -22.352 2.386 -1.667 1.00 0.00 C ATOM 830 C LYS A 52 -22.203 0.964 -1.122 1.00 0.00 C ATOM 831 O LYS A 52 -22.077 0.778 0.088 1.00 0.00 O ATOM 832 CB LYS A 52 -22.763 3.366 -0.565 1.00 0.00 C ATOM 833 CG LYS A 52 -23.066 4.765 -1.113 1.00 0.00 C ATOM 834 CD LYS A 52 -24.572 5.020 -1.168 1.00 0.00 C ATOM 835 CE LYS A 52 -24.831 6.450 -1.646 1.00 0.00 C ATOM 836 NZ LYS A 52 -26.278 6.745 -1.675 1.00 0.00 N ATOM 0 H LYS A 52 -22.881 3.062 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.363 2.651 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.643 2.982 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -21.965 3.433 0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -22.590 5.517 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.640 4.868 -2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -25.048 4.308 -1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -25.013 4.869 -0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -24.326 7.155 -0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -24.408 6.587 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -26.427 7.721 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -26.754 6.086 -2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -26.674 6.637 -0.719 1.00 0.00 H new ATOM 850 N GLU A 53 -22.211 -0.040 -2.005 1.00 0.00 N ATOM 851 CA GLU A 53 -22.102 -1.433 -1.589 1.00 0.00 C ATOM 852 C GLU A 53 -20.961 -2.171 -2.291 1.00 0.00 C ATOM 853 O GLU A 53 -20.828 -3.383 -2.143 1.00 0.00 O ATOM 854 CB GLU A 53 -23.444 -2.140 -1.795 1.00 0.00 C ATOM 855 CG GLU A 53 -23.829 -2.208 -3.272 1.00 0.00 C ATOM 856 CD GLU A 53 -25.152 -2.953 -3.454 1.00 0.00 C ATOM 857 OE1 GLU A 53 -26.209 -2.282 -3.387 1.00 0.00 O ATOM 858 OE2 GLU A 53 -25.097 -4.188 -3.658 1.00 0.00 O ATOM 0 H GLU A 53 -22.292 0.092 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.854 -1.446 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.390 -3.149 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.221 -1.614 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.915 -1.200 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.043 -2.711 -3.835 1.00 0.00 H new ATOM 865 N SER A 54 -20.137 -1.449 -3.054 1.00 0.00 N ATOM 866 CA SER A 54 -19.005 -2.035 -3.762 1.00 0.00 C ATOM 867 C SER A 54 -17.867 -2.420 -2.816 1.00 0.00 C ATOM 868 O SER A 54 -16.900 -3.039 -3.252 1.00 0.00 O ATOM 869 CB SER A 54 -18.469 -1.030 -4.776 1.00 0.00 C ATOM 870 OG SER A 54 -19.535 -0.434 -5.484 1.00 0.00 O ATOM 0 H SER A 54 -20.238 -0.444 -3.196 1.00 0.00 H new ATOM 0 HA SER A 54 -19.362 -2.940 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.888 -0.262 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.795 -1.529 -5.472 1.00 0.00 H new ATOM 0 HG SER A 54 -19.607 -0.843 -6.372 1.00 0.00 H new ATOM 876 N ARG A 55 -17.990 -2.054 -1.533 1.00 0.00 N ATOM 877 CA ARG A 55 -17.029 -2.322 -0.478 1.00 0.00 C ATOM 878 C ARG A 55 -16.431 -3.719 -0.578 1.00 0.00 C ATOM 879 O ARG A 55 -17.094 -4.701 -0.912 1.00 0.00 O ATOM 880 CB ARG A 55 -17.675 -2.072 0.889 1.00 0.00 C ATOM 881 CG ARG A 55 -18.857 -3.011 1.151 1.00 0.00 C ATOM 882 CD ARG A 55 -19.484 -2.677 2.504 1.00 0.00 C ATOM 883 NE ARG A 55 -20.630 -3.553 2.783 1.00 0.00 N ATOM 884 CZ ARG A 55 -21.385 -3.468 3.883 1.00 0.00 C ATOM 885 NH1 ARG A 55 -21.116 -2.560 4.820 1.00 0.00 N ATOM 886 NH2 ARG A 55 -22.409 -4.295 4.052 1.00 0.00 N ATOM 0 H ARG A 55 -18.804 -1.539 -1.197 1.00 0.00 H new ATOM 0 HA ARG A 55 -16.193 -1.633 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.928 -2.204 1.672 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -18.015 -1.038 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -19.599 -2.908 0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -18.521 -4.048 1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -18.738 -2.786 3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -19.807 -1.636 2.512 1.00 0.00 H new ATOM 0 HE ARG A 55 -20.864 -4.270 2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -20.329 -1.922 4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -21.697 -2.502 5.656 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -22.621 -4.996 3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -22.984 -4.229 4.892 1.00 0.00 H new ATOM 900 N GLY A 56 -15.142 -3.750 -0.270 1.00 0.00 N ATOM 901 CA GLY A 56 -14.287 -4.924 -0.362 1.00 0.00 C ATOM 902 C GLY A 56 -12.855 -4.530 -0.733 1.00 0.00 C ATOM 903 O GLY A 56 -11.972 -5.385 -0.789 1.00 0.00 O ATOM 0 H GLY A 56 -14.644 -2.925 0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.287 -5.454 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.685 -5.611 -1.109 1.00 0.00 H new ATOM 907 N PHE A 57 -12.615 -3.237 -0.984 1.00 0.00 N ATOM 908 CA PHE A 57 -11.292 -2.692 -1.231 1.00 0.00 C ATOM 909 C PHE A 57 -11.274 -1.209 -0.869 1.00 0.00 C ATOM 910 O PHE A 57 -12.323 -0.595 -0.671 1.00 0.00 O ATOM 911 CB PHE A 57 -10.911 -2.908 -2.698 1.00 0.00 C ATOM 912 CG PHE A 57 -11.842 -2.267 -3.707 1.00 0.00 C ATOM 913 CD1 PHE A 57 -13.095 -2.839 -3.974 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.442 -1.107 -4.388 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.942 -2.265 -4.930 1.00 0.00 C ATOM 916 CE2 PHE A 57 -12.290 -0.528 -5.340 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.539 -1.104 -5.606 1.00 0.00 C ATOM 0 H PHE A 57 -13.354 -2.535 -1.020 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.558 -3.205 -0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.905 -2.519 -2.857 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.872 -3.980 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.407 -3.725 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.481 -0.661 -4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.900 -2.714 -5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.981 0.362 -5.869 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.195 -0.652 -6.335 1.00 0.00 H new ATOM 927 N ALA A 58 -10.071 -0.642 -0.786 1.00 0.00 N ATOM 928 CA ALA A 58 -9.860 0.749 -0.441 1.00 0.00 C ATOM 929 C ALA A 58 -8.667 1.245 -1.240 1.00 0.00 C ATOM 930 O ALA A 58 -7.533 0.880 -0.928 1.00 0.00 O ATOM 931 CB ALA A 58 -9.589 0.890 1.057 1.00 0.00 C ATOM 0 H ALA A 58 -9.205 -1.152 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.747 1.337 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.432 1.941 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.443 0.510 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.698 0.320 1.321 1.00 0.00 H new ATOM 937 N PHE A 59 -8.907 2.068 -2.262 1.00 0.00 N ATOM 938 CA PHE A 59 -7.819 2.547 -3.092 1.00 0.00 C ATOM 939 C PHE A 59 -7.003 3.514 -2.250 1.00 0.00 C ATOM 940 O PHE A 59 -7.467 4.607 -1.925 1.00 0.00 O ATOM 941 CB PHE A 59 -8.367 3.206 -4.370 1.00 0.00 C ATOM 942 CG PHE A 59 -7.329 3.920 -5.216 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.004 5.253 -4.916 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.690 3.285 -6.296 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.039 5.937 -5.668 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.716 3.968 -7.041 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.377 5.290 -6.719 1.00 0.00 C ATOM 0 H PHE A 59 -9.832 2.408 -2.526 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.182 1.726 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.847 2.440 -4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.140 3.921 -4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.502 5.755 -4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.950 2.269 -6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.805 6.966 -5.436 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.225 3.473 -7.866 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.610 5.806 -7.278 1.00 0.00 H new ATOM 957 N VAL A 60 -5.780 3.111 -1.897 1.00 0.00 N ATOM 958 CA VAL A 60 -4.874 4.009 -1.187 1.00 0.00 C ATOM 959 C VAL A 60 -3.707 4.335 -2.098 1.00 0.00 C ATOM 960 O VAL A 60 -3.510 3.646 -3.095 1.00 0.00 O ATOM 961 CB VAL A 60 -4.412 3.460 0.165 1.00 0.00 C ATOM 962 CG1 VAL A 60 -5.466 2.534 0.770 1.00 0.00 C ATOM 963 CG2 VAL A 60 -3.067 2.747 0.067 1.00 0.00 C ATOM 0 H VAL A 60 -5.401 2.184 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.417 4.922 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.280 4.317 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.112 2.158 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.394 3.086 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.644 1.696 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.780 2.375 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.148 1.911 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.310 3.445 -0.291 1.00 0.00 H new ATOM 973 N ARG A 61 -2.941 5.374 -1.758 1.00 0.00 N ATOM 974 CA ARG A 61 -1.950 5.909 -2.663 1.00 0.00 C ATOM 975 C ARG A 61 -0.692 6.360 -1.940 1.00 0.00 C ATOM 976 O ARG A 61 -0.781 6.950 -0.865 1.00 0.00 O ATOM 977 CB ARG A 61 -2.606 7.086 -3.386 1.00 0.00 C ATOM 978 CG ARG A 61 -1.808 7.521 -4.606 1.00 0.00 C ATOM 979 CD ARG A 61 -2.541 8.709 -5.220 1.00 0.00 C ATOM 980 NE ARG A 61 -2.136 8.908 -6.610 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.002 9.143 -7.593 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.298 9.275 -7.326 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.569 9.245 -8.845 1.00 0.00 N ATOM 0 H ARG A 61 -2.996 5.854 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.631 5.136 -3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.614 6.807 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.703 7.926 -2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.793 7.799 -4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.727 6.705 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.617 8.543 -5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.331 9.609 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.143 8.865 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.631 9.196 -6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.959 9.455 -8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.575 9.143 -9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.230 9.425 -9.600 1.00 0.00 H new ATOM 997 N PHE A 62 0.473 6.085 -2.539 1.00 0.00 N ATOM 998 CA PHE A 62 1.754 6.547 -2.002 1.00 0.00 C ATOM 999 C PHE A 62 2.433 7.497 -2.974 1.00 0.00 C ATOM 1000 O PHE A 62 2.054 7.569 -4.143 1.00 0.00 O ATOM 1001 CB PHE A 62 2.706 5.382 -1.742 1.00 0.00 C ATOM 1002 CG PHE A 62 2.447 4.593 -0.479 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.236 3.909 -0.293 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.439 4.546 0.511 1.00 0.00 C ATOM 1005 CE1 PHE A 62 1.027 3.159 0.875 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.239 3.779 1.665 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.040 3.081 1.842 1.00 0.00 C ATOM 0 H PHE A 62 0.552 5.542 -3.399 1.00 0.00 H new ATOM 0 HA PHE A 62 1.535 7.056 -1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.657 4.700 -2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.724 5.770 -1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.465 3.960 -1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.357 5.101 0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.090 2.644 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.011 3.726 2.419 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.894 2.479 2.727 1.00 0.00 H new ATOM 1017 N HIS A 63 3.440 8.223 -2.483 1.00 0.00 N ATOM 1018 CA HIS A 63 4.167 9.210 -3.266 1.00 0.00 C ATOM 1019 C HIS A 63 5.668 8.936 -3.301 1.00 0.00 C ATOM 1020 O HIS A 63 6.321 9.245 -4.295 1.00 0.00 O ATOM 1021 CB HIS A 63 3.909 10.631 -2.747 1.00 0.00 C ATOM 1022 CG HIS A 63 3.166 10.796 -1.443 1.00 0.00 C ATOM 1023 ND1 HIS A 63 3.346 10.102 -0.275 1.00 0.00 N flip ATOM 1024 CD2 HIS A 63 2.163 11.747 -1.252 1.00 0.00 C flip ATOM 1025 CE1 HIS A 63 2.460 10.637 0.632 1.00 0.00 C flip ATOM 1026 NE2 HIS A 63 1.772 11.617 0.025 1.00 0.00 N flip ATOM 0 H HIS A 63 3.772 8.137 -1.522 1.00 0.00 H new ATOM 0 HA HIS A 63 3.790 9.129 -4.286 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.874 11.127 -2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.354 11.169 -3.515 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.780 12.445 -1.982 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.339 10.322 1.658 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.052 12.184 0.472 1.00 0.00 H new ATOM 1034 N ASP A 64 6.216 8.359 -2.234 1.00 0.00 N ATOM 1035 CA ASP A 64 7.618 7.977 -2.190 1.00 0.00 C ATOM 1036 C ASP A 64 7.817 6.642 -2.887 1.00 0.00 C ATOM 1037 O ASP A 64 7.163 5.659 -2.540 1.00 0.00 O ATOM 1038 CB ASP A 64 8.044 7.853 -0.731 1.00 0.00 C ATOM 1039 CG ASP A 64 8.518 9.189 -0.177 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.717 9.489 -0.371 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.693 9.895 0.437 1.00 0.00 O ATOM 0 H ASP A 64 5.700 8.145 -1.381 1.00 0.00 H new ATOM 0 HA ASP A 64 8.218 8.733 -2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.208 7.486 -0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.843 7.117 -0.645 1.00 0.00 H new ATOM 1046 N LYS A 65 8.724 6.597 -3.871 1.00 0.00 N ATOM 1047 CA LYS A 65 9.014 5.358 -4.585 1.00 0.00 C ATOM 1048 C LYS A 65 9.569 4.312 -3.628 1.00 0.00 C ATOM 1049 O LYS A 65 9.055 3.198 -3.582 1.00 0.00 O ATOM 1050 CB LYS A 65 9.993 5.652 -5.726 1.00 0.00 C ATOM 1051 CG LYS A 65 10.594 4.386 -6.350 1.00 0.00 C ATOM 1052 CD LYS A 65 9.553 3.364 -6.831 1.00 0.00 C ATOM 1053 CE LYS A 65 8.568 3.960 -7.833 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.241 4.392 -9.076 1.00 0.00 N ATOM 0 H LYS A 65 9.265 7.403 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 65 8.096 4.954 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.478 6.221 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.799 6.282 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.221 4.673 -7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.245 3.908 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.064 2.517 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.004 2.978 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.802 3.222 -8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.060 4.811 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.532 4.744 -9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.918 5.151 -8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.747 3.586 -9.495 1.00 0.00 H new ATOM 1068 N ARG A 66 10.610 4.654 -2.861 1.00 0.00 N ATOM 1069 CA ARG A 66 11.256 3.696 -1.972 1.00 0.00 C ATOM 1070 C ARG A 66 10.299 3.130 -0.924 1.00 0.00 C ATOM 1071 O ARG A 66 10.426 1.972 -0.534 1.00 0.00 O ATOM 1072 CB ARG A 66 12.511 4.307 -1.339 1.00 0.00 C ATOM 1073 CG ARG A 66 12.250 5.446 -0.346 1.00 0.00 C ATOM 1074 CD ARG A 66 11.789 6.760 -0.987 1.00 0.00 C ATOM 1075 NE ARG A 66 12.751 7.239 -1.988 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.770 8.481 -2.483 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.879 9.390 -2.094 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.688 8.820 -3.385 1.00 0.00 N ATOM 0 H ARG A 66 11.019 5.588 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 66 11.567 2.846 -2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.061 3.518 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.156 4.680 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.494 5.121 0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.163 5.634 0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.816 6.615 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.660 7.517 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 66 13.451 6.580 -2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.166 9.144 -1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.909 10.333 -2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.375 8.133 -3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.705 9.767 -3.764 1.00 0.00 H new ATOM 1092 N ASP A 67 9.342 3.938 -0.462 1.00 0.00 N ATOM 1093 CA ASP A 67 8.401 3.486 0.556 1.00 0.00 C ATOM 1094 C ASP A 67 7.243 2.727 -0.085 1.00 0.00 C ATOM 1095 O ASP A 67 6.551 1.967 0.587 1.00 0.00 O ATOM 1096 CB ASP A 67 7.865 4.683 1.342 1.00 0.00 C ATOM 1097 CG ASP A 67 8.971 5.424 2.095 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.937 4.753 2.520 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.840 6.661 2.235 1.00 0.00 O ATOM 0 H ASP A 67 9.202 4.899 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 67 8.924 2.815 1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.370 5.372 0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.111 4.341 2.051 1.00 0.00 H new ATOM 1104 N ALA A 68 7.031 2.931 -1.389 1.00 0.00 N ATOM 1105 CA ALA A 68 5.970 2.261 -2.110 1.00 0.00 C ATOM 1106 C ALA A 68 6.416 0.861 -2.514 1.00 0.00 C ATOM 1107 O ALA A 68 5.649 -0.094 -2.395 1.00 0.00 O ATOM 1108 CB ALA A 68 5.663 3.073 -3.369 1.00 0.00 C ATOM 0 H ALA A 68 7.591 3.562 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 68 5.086 2.180 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.865 2.587 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.348 4.077 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.557 3.134 -3.989 1.00 0.00 H new ATOM 1114 N GLU A 69 7.653 0.732 -2.993 1.00 0.00 N ATOM 1115 CA GLU A 69 8.146 -0.566 -3.411 1.00 0.00 C ATOM 1116 C GLU A 69 8.403 -1.461 -2.206 1.00 0.00 C ATOM 1117 O GLU A 69 8.338 -2.685 -2.325 1.00 0.00 O ATOM 1118 CB GLU A 69 9.401 -0.429 -4.279 1.00 0.00 C ATOM 1119 CG GLU A 69 10.538 0.257 -3.527 1.00 0.00 C ATOM 1120 CD GLU A 69 11.855 0.132 -4.285 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.109 0.989 -5.159 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.606 -0.826 -3.983 1.00 0.00 O ATOM 0 H GLU A 69 8.317 1.500 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 69 7.376 -1.038 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.726 -1.416 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.162 0.142 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.298 1.310 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.642 -0.186 -2.537 1.00 0.00 H new ATOM 1129 N ASP A 70 8.688 -0.875 -1.042 1.00 0.00 N ATOM 1130 CA ASP A 70 8.869 -1.673 0.158 1.00 0.00 C ATOM 1131 C ASP A 70 7.522 -2.182 0.664 1.00 0.00 C ATOM 1132 O ASP A 70 7.421 -3.329 1.091 1.00 0.00 O ATOM 1133 CB ASP A 70 9.571 -0.833 1.226 1.00 0.00 C ATOM 1134 CG ASP A 70 9.902 -1.669 2.460 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.771 -2.561 2.335 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.285 -1.411 3.518 1.00 0.00 O ATOM 0 H ASP A 70 8.796 0.131 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 70 9.489 -2.539 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.487 -0.409 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.933 0.004 1.511 1.00 0.00 H new ATOM 1141 N ALA A 71 6.483 -1.346 0.617 1.00 0.00 N ATOM 1142 CA ALA A 71 5.176 -1.739 1.112 1.00 0.00 C ATOM 1143 C ALA A 71 4.589 -2.889 0.297 1.00 0.00 C ATOM 1144 O ALA A 71 3.881 -3.734 0.846 1.00 0.00 O ATOM 1145 CB ALA A 71 4.240 -0.531 1.081 1.00 0.00 C ATOM 0 H ALA A 71 6.527 -0.399 0.242 1.00 0.00 H new ATOM 0 HA ALA A 71 5.287 -2.092 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.257 -0.822 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.646 0.260 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.148 -0.168 0.057 1.00 0.00 H new ATOM 1151 N MET A 72 4.870 -2.943 -1.009 1.00 0.00 N ATOM 1152 CA MET A 72 4.350 -4.028 -1.827 1.00 0.00 C ATOM 1153 C MET A 72 5.187 -5.283 -1.592 1.00 0.00 C ATOM 1154 O MET A 72 4.663 -6.393 -1.557 1.00 0.00 O ATOM 1155 CB MET A 72 4.320 -3.619 -3.302 1.00 0.00 C ATOM 1156 CG MET A 72 5.556 -4.053 -4.092 1.00 0.00 C ATOM 1157 SD MET A 72 5.433 -3.709 -5.863 1.00 0.00 S ATOM 1158 CE MET A 72 5.682 -1.921 -5.818 1.00 0.00 C ATOM 0 H MET A 72 5.442 -2.262 -1.508 1.00 0.00 H new ATOM 0 HA MET A 72 3.322 -4.249 -1.540 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.433 -4.047 -3.770 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.222 -2.535 -3.366 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.432 -3.544 -3.690 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.714 -5.122 -3.947 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.997 -1.441 -6.517 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.490 -1.552 -4.810 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.709 -1.689 -6.100 1.00 0.00 H new ATOM 1168 N ASP A 73 6.499 -5.097 -1.426 1.00 0.00 N ATOM 1169 CA ASP A 73 7.431 -6.185 -1.180 1.00 0.00 C ATOM 1170 C ASP A 73 7.398 -6.643 0.281 1.00 0.00 C ATOM 1171 O ASP A 73 8.153 -7.541 0.653 1.00 0.00 O ATOM 1172 CB ASP A 73 8.834 -5.719 -1.570 1.00 0.00 C ATOM 1173 CG ASP A 73 9.844 -6.865 -1.556 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.584 -7.867 -2.260 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.864 -6.732 -0.844 1.00 0.00 O ATOM 0 H ASP A 73 6.941 -4.178 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 73 7.140 -7.045 -1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.805 -5.274 -2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.161 -4.939 -0.882 1.00 0.00 H new ATOM 1180 N ALA A 74 6.537 -6.051 1.117 1.00 0.00 N ATOM 1181 CA ALA A 74 6.498 -6.380 2.534 1.00 0.00 C ATOM 1182 C ALA A 74 5.091 -6.685 3.049 1.00 0.00 C ATOM 1183 O ALA A 74 4.947 -7.101 4.203 1.00 0.00 O ATOM 1184 CB ALA A 74 7.092 -5.219 3.319 1.00 0.00 C ATOM 0 H ALA A 74 5.861 -5.343 0.830 1.00 0.00 H new ATOM 0 HA ALA A 74 7.079 -7.292 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.070 -5.451 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.123 -5.057 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.509 -4.317 3.132 1.00 0.00 H new ATOM 1190 N MET A 75 4.049 -6.493 2.234 1.00 0.00 N ATOM 1191 CA MET A 75 2.700 -6.817 2.674 1.00 0.00 C ATOM 1192 C MET A 75 1.840 -7.493 1.615 1.00 0.00 C ATOM 1193 O MET A 75 0.924 -8.234 1.970 1.00 0.00 O ATOM 1194 CB MET A 75 1.996 -5.532 3.115 1.00 0.00 C ATOM 1195 CG MET A 75 1.044 -5.879 4.256 1.00 0.00 C ATOM 1196 SD MET A 75 -0.158 -4.590 4.657 1.00 0.00 S ATOM 1197 CE MET A 75 0.964 -3.237 5.081 1.00 0.00 C ATOM 0 H MET A 75 4.116 -6.122 1.286 1.00 0.00 H new ATOM 0 HA MET A 75 2.813 -7.529 3.491 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.726 -4.791 3.441 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.447 -5.094 2.282 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.506 -6.791 3.997 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.632 -6.098 5.147 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.385 -2.341 5.304 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.554 -3.514 5.954 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.630 -3.039 4.241 1.00 0.00 H new ATOM 1207 N ASP A 76 2.098 -7.269 0.327 1.00 0.00 N ATOM 1208 CA ASP A 76 1.274 -7.891 -0.692 1.00 0.00 C ATOM 1209 C ASP A 76 1.457 -9.404 -0.665 1.00 0.00 C ATOM 1210 O ASP A 76 2.575 -9.908 -0.558 1.00 0.00 O ATOM 1211 CB ASP A 76 1.649 -7.335 -2.065 1.00 0.00 C ATOM 1212 CG ASP A 76 0.913 -8.059 -3.184 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.263 -7.707 -3.423 1.00 0.00 O ATOM 1214 OD2 ASP A 76 1.524 -8.962 -3.797 1.00 0.00 O ATOM 0 H ASP A 76 2.851 -6.677 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 76 0.226 -7.667 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.415 -6.271 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.724 -7.430 -2.215 1.00 0.00 H new ATOM 1219 N GLY A 77 0.342 -10.125 -0.763 1.00 0.00 N ATOM 1220 CA GLY A 77 0.348 -11.582 -0.811 1.00 0.00 C ATOM 1221 C GLY A 77 0.553 -12.203 0.569 1.00 0.00 C ATOM 1222 O GLY A 77 0.764 -13.410 0.666 1.00 0.00 O ATOM 0 H GLY A 77 -0.590 -9.714 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.595 -11.934 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.140 -11.919 -1.480 1.00 0.00 H new ATOM 1226 N ALA A 78 0.496 -11.401 1.642 1.00 0.00 N ATOM 1227 CA ALA A 78 0.679 -11.883 3.008 1.00 0.00 C ATOM 1228 C ALA A 78 -0.630 -12.466 3.544 1.00 0.00 C ATOM 1229 O ALA A 78 -0.928 -12.385 4.736 1.00 0.00 O ATOM 1230 CB ALA A 78 1.181 -10.734 3.886 1.00 0.00 C ATOM 0 H ALA A 78 0.321 -10.398 1.581 1.00 0.00 H new ATOM 0 HA ALA A 78 1.423 -12.680 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.319 -11.090 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.131 -10.368 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.451 -9.925 3.879 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.409 -13.054 2.635 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.772 -13.495 2.884 1.00 0.00 C ATOM 1238 C VAL A 79 -2.819 -14.767 3.726 1.00 0.00 C ATOM 1239 O VAL A 79 -1.816 -15.462 3.873 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.479 -13.689 1.547 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -4.951 -14.027 1.642 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.326 -12.478 0.623 1.00 0.00 C ATOM 0 H VAL A 79 -1.096 -13.239 1.682 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.288 -12.729 3.462 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.969 -14.556 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.363 -14.145 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.076 -14.957 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.476 -13.223 2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.848 -12.668 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.752 -11.597 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.269 -12.305 0.422 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.002 -15.069 4.274 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.240 -16.274 5.061 1.00 0.00 C ATOM 1254 C LEU A 80 -5.712 -16.693 5.047 1.00 0.00 C ATOM 1255 O LEU A 80 -6.107 -17.570 5.814 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.727 -16.080 6.499 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.679 -15.322 7.435 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -3.995 -15.163 8.791 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.047 -13.940 6.910 1.00 0.00 C ATOM 0 H LEU A 80 -4.826 -14.475 4.180 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.682 -17.088 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.523 -17.060 6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.778 -15.545 6.460 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.601 -15.899 7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.656 -14.626 9.471 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.771 -16.147 9.203 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.068 -14.602 8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.722 -13.452 7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.143 -13.341 6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.540 -14.038 5.943 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.526 -16.074 4.181 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.968 -16.317 4.134 1.00 0.00 C ATOM 1273 C ASP A 81 -8.479 -16.382 2.694 1.00 0.00 C ATOM 1274 O ASP A 81 -9.681 -16.488 2.457 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.671 -15.192 4.904 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.183 -15.408 4.999 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.587 -16.399 5.649 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -10.921 -14.577 4.422 1.00 0.00 O ATOM 0 H ASP A 81 -6.201 -15.392 3.496 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.185 -17.282 4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.252 -15.126 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.473 -14.240 4.412 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.564 -16.320 1.723 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.913 -16.288 0.311 1.00 0.00 C ATOM 1285 C GLY A 82 -7.817 -14.872 -0.247 1.00 0.00 C ATOM 1286 O GLY A 82 -7.899 -14.677 -1.458 1.00 0.00 O ATOM 0 H GLY A 82 -6.560 -16.291 1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.248 -16.947 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.926 -16.668 0.175 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.643 -13.880 0.636 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.516 -12.474 0.287 1.00 0.00 C ATOM 1292 C ARG A 83 -7.133 -11.705 1.547 1.00 0.00 C ATOM 1293 O ARG A 83 -7.835 -11.796 2.550 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.847 -11.992 -0.309 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.086 -10.487 -0.165 1.00 0.00 C ATOM 1296 CD ARG A 83 -9.919 -10.112 1.061 1.00 0.00 C ATOM 1297 NE ARG A 83 -11.210 -10.817 1.092 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.483 -11.886 1.848 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -10.562 -12.426 2.640 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.698 -12.430 1.809 1.00 0.00 N ATOM 0 H ARG A 83 -7.586 -14.047 1.641 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.741 -12.310 -0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.876 -12.254 -1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.664 -12.527 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.123 -9.979 -0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.588 -10.120 -1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.357 -10.346 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.094 -9.036 1.064 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.954 -10.463 0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.625 -12.025 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.792 -13.241 3.208 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.416 -12.031 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.910 -13.245 2.384 1.00 0.00 H new ATOM 1314 N GLU A 84 -6.028 -10.950 1.496 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.679 -10.007 2.555 1.00 0.00 C ATOM 1316 C GLU A 84 -5.165 -8.697 1.956 1.00 0.00 C ATOM 1317 O GLU A 84 -5.622 -7.628 2.348 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.624 -10.551 3.523 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.132 -11.670 4.435 1.00 0.00 C ATOM 1320 CD GLU A 84 -6.063 -11.121 5.520 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -5.525 -10.492 6.456 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.290 -11.330 5.415 1.00 0.00 O ATOM 0 H GLU A 84 -5.360 -10.978 0.726 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.596 -9.839 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.776 -10.922 2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.256 -9.732 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.661 -12.415 3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.286 -12.176 4.900 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.220 -8.770 1.003 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.688 -7.585 0.341 1.00 0.00 C ATOM 1331 C LEU A 85 -3.546 -7.778 -1.162 1.00 0.00 C ATOM 1332 O LEU A 85 -3.433 -8.899 -1.657 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.268 -7.261 0.843 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.087 -6.695 2.254 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -3.022 -5.519 2.517 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.246 -7.782 3.315 1.00 0.00 C ATOM 0 H LEU A 85 -3.812 -9.647 0.678 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.397 -6.789 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.680 -8.177 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.827 -6.549 0.145 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.067 -6.316 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.862 -5.146 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.817 -4.724 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.056 -5.846 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.111 -7.346 4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.242 -8.218 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.498 -8.558 3.155 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.550 -6.643 -1.862 1.00 0.00 N ATOM 1349 CA ARG A 86 -3.178 -6.501 -3.263 1.00 0.00 C ATOM 1350 C ARG A 86 -2.570 -5.116 -3.412 1.00 0.00 C ATOM 1351 O ARG A 86 -3.282 -4.118 -3.341 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.383 -6.665 -4.198 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.681 -8.138 -4.486 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.526 -8.825 -5.219 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.279 -8.207 -6.528 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.141 -7.620 -6.912 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -1.088 -7.537 -6.104 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.053 -7.104 -8.133 1.00 0.00 N ATOM 0 H ARG A 86 -3.827 -5.756 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.471 -7.281 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.259 -6.198 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.190 -6.143 -5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.876 -8.658 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.587 -8.214 -5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.623 -8.768 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.755 -9.882 -5.352 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.043 -8.227 -7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.135 -7.927 -5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.233 -7.083 -6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.849 -7.158 -8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.189 -6.654 -8.435 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.254 -5.052 -3.623 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.538 -3.787 -3.725 1.00 0.00 C ATOM 1374 C VAL A 87 0.333 -3.787 -4.972 1.00 0.00 C ATOM 1375 O VAL A 87 1.033 -4.760 -5.247 1.00 0.00 O ATOM 1376 CB VAL A 87 0.341 -3.576 -2.489 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.960 -2.183 -2.507 1.00 0.00 C ATOM 1378 CG2 VAL A 87 -0.436 -3.790 -1.194 1.00 0.00 C ATOM 0 H VAL A 87 -0.660 -5.875 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.265 -2.977 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 87 1.135 -4.322 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.582 -2.050 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.573 -2.069 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.169 -1.433 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.225 -3.630 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.266 -3.084 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.824 -4.808 -1.166 1.00 0.00 H new ATOM 1388 N GLN A 88 0.282 -2.683 -5.721 1.00 0.00 N ATOM 1389 CA GLN A 88 1.034 -2.516 -6.954 1.00 0.00 C ATOM 1390 C GLN A 88 0.934 -1.056 -7.391 1.00 0.00 C ATOM 1391 O GLN A 88 0.208 -0.266 -6.794 1.00 0.00 O ATOM 1392 CB GLN A 88 0.433 -3.442 -8.019 1.00 0.00 C ATOM 1393 CG GLN A 88 1.403 -3.744 -9.160 1.00 0.00 C ATOM 1394 CD GLN A 88 0.857 -4.840 -10.073 1.00 0.00 C ATOM 1395 OE1 GLN A 88 0.040 -5.664 -9.661 1.00 0.00 O ATOM 1396 NE2 GLN A 88 1.308 -4.863 -11.324 1.00 0.00 N ATOM 0 H GLN A 88 -0.291 -1.874 -5.480 1.00 0.00 H new ATOM 0 HA GLN A 88 2.084 -2.772 -6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.129 -4.378 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.468 -2.983 -8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.580 -2.838 -9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.365 -4.053 -8.751 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.985 -4.166 -11.635 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.977 -5.577 -11.972 1.00 0.00 H new ATOM 1405 N MET A 89 1.672 -0.704 -8.437 1.00 0.00 N ATOM 1406 CA MET A 89 1.722 0.653 -8.954 1.00 0.00 C ATOM 1407 C MET A 89 0.444 0.960 -9.735 1.00 0.00 C ATOM 1408 O MET A 89 -0.023 0.129 -10.512 1.00 0.00 O ATOM 1409 CB MET A 89 2.950 0.740 -9.858 1.00 0.00 C ATOM 1410 CG MET A 89 4.183 0.545 -8.978 1.00 0.00 C ATOM 1411 SD MET A 89 4.688 2.057 -8.121 1.00 0.00 S ATOM 1412 CE MET A 89 5.970 1.367 -7.049 1.00 0.00 C ATOM 0 H MET A 89 2.257 -1.361 -8.953 1.00 0.00 H new ATOM 0 HA MET A 89 1.794 1.383 -8.148 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.909 -0.023 -10.635 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.987 1.706 -10.362 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.978 -0.232 -8.242 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.009 0.190 -9.594 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.566 2.176 -6.627 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.504 0.800 -6.243 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.614 0.708 -7.630 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.128 2.151 -9.532 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.337 2.559 -10.233 1.00 0.00 C ATOM 1424 C ALA A 90 -1.031 2.793 -11.715 1.00 0.00 C ATOM 1425 O ALA A 90 0.095 3.149 -12.071 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.894 3.821 -9.576 1.00 0.00 C ATOM 0 H ALA A 90 0.234 2.849 -8.883 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.088 1.771 -10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.800 4.132 -10.096 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.128 3.615 -8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.152 4.618 -9.631 1.00 0.00 H new ATOM 1432 N ARG A 91 -2.031 2.597 -12.580 1.00 0.00 N ATOM 1433 CA ARG A 91 -1.912 2.819 -14.020 1.00 0.00 C ATOM 1434 C ARG A 91 -3.196 3.457 -14.548 1.00 0.00 C ATOM 1435 O ARG A 91 -3.501 3.386 -15.736 1.00 0.00 O ATOM 1436 CB ARG A 91 -1.620 1.504 -14.748 1.00 0.00 C ATOM 1437 CG ARG A 91 -0.323 0.856 -14.261 1.00 0.00 C ATOM 1438 CD ARG A 91 -0.053 -0.424 -15.049 1.00 0.00 C ATOM 1439 NE ARG A 91 1.205 -1.045 -14.631 1.00 0.00 N ATOM 1440 CZ ARG A 91 1.652 -2.213 -15.094 1.00 0.00 C ATOM 1441 NH1 ARG A 91 0.943 -2.906 -15.986 1.00 0.00 N ATOM 1442 NH2 ARG A 91 2.810 -2.698 -14.662 1.00 0.00 N ATOM 0 H ARG A 91 -2.956 2.276 -12.294 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.078 3.496 -14.207 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.450 0.813 -14.596 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.552 1.690 -15.820 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.508 1.550 -14.383 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.396 0.630 -13.197 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.875 -1.125 -14.902 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.014 -0.197 -16.114 1.00 0.00 H new ATOM 0 HE ARG A 91 1.775 -0.554 -13.943 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.050 -2.544 -16.320 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.294 -3.798 -16.334 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.357 -2.177 -13.976 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.153 -3.591 -15.016 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.946 4.083 -13.639 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.232 4.700 -13.899 1.00 0.00 C ATOM 1458 C TYR A 92 -5.304 5.957 -13.030 1.00 0.00 C ATOM 1459 O TYR A 92 -4.587 6.044 -12.032 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.303 3.658 -13.592 1.00 0.00 C ATOM 1461 CG TYR A 92 -7.746 4.097 -13.718 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -8.157 5.025 -14.690 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -8.681 3.545 -12.836 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -9.504 5.412 -14.760 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -10.022 3.936 -12.885 1.00 0.00 C ATOM 1466 CZ TYR A 92 -10.442 4.874 -13.851 1.00 0.00 C ATOM 1467 OH TYR A 92 -11.751 5.250 -13.909 1.00 0.00 O ATOM 0 H TYR A 92 -3.655 4.173 -12.665 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.382 5.013 -14.932 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.149 2.808 -14.256 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.146 3.300 -12.575 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.438 5.439 -15.381 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.364 2.810 -12.111 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.824 6.121 -15.509 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.734 3.522 -12.186 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.257 4.783 -13.212 1.00 0.00 H new ATOM 1477 N GLY A 93 -6.150 6.933 -13.384 1.00 0.00 N ATOM 1478 CA GLY A 93 -6.096 8.249 -12.758 1.00 0.00 C ATOM 1479 C GLY A 93 -7.332 8.625 -11.945 1.00 0.00 C ATOM 1480 O GLY A 93 -8.300 7.870 -11.863 1.00 0.00 O ATOM 0 H GLY A 93 -6.873 6.832 -14.096 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.224 8.289 -12.106 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.948 8.999 -13.535 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.273 9.817 -11.341 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.316 10.386 -10.495 1.00 0.00 C ATOM 1486 C ARG A 94 -9.606 10.604 -11.286 1.00 0.00 C ATOM 1487 O ARG A 94 -9.558 10.641 -12.515 1.00 0.00 O ATOM 1488 CB ARG A 94 -7.808 11.721 -9.942 1.00 0.00 C ATOM 1489 CG ARG A 94 -6.532 11.544 -9.117 1.00 0.00 C ATOM 1490 CD ARG A 94 -6.259 12.802 -8.296 1.00 0.00 C ATOM 1491 NE ARG A 94 -7.266 12.964 -7.238 1.00 0.00 N ATOM 1492 CZ ARG A 94 -7.730 14.134 -6.795 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -7.303 15.283 -7.310 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -8.634 14.154 -5.821 1.00 0.00 N ATOM 0 H ARG A 94 -6.464 10.432 -11.435 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.540 9.696 -9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.615 12.407 -10.767 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.581 12.176 -9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.634 10.684 -8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.688 11.341 -9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.265 12.743 -7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.266 13.676 -8.948 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.639 12.117 -6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.609 15.280 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.670 16.167 -6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.968 13.279 -5.417 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.993 15.044 -5.477 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.749 10.759 -10.595 1.00 0.00 N ATOM 1509 CA PRO A 95 -12.066 11.014 -11.164 1.00 0.00 C ATOM 1510 C PRO A 95 -12.059 11.767 -12.492 1.00 0.00 C ATOM 1511 O PRO A 95 -11.976 12.995 -12.498 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.808 11.760 -10.065 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.292 11.080 -8.797 1.00 0.00 C ATOM 1514 CD PRO A 95 -10.859 10.675 -9.145 1.00 0.00 C ATOM 0 HA PRO A 95 -12.552 10.080 -11.445 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.582 12.826 -10.074 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.889 11.662 -10.167 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.318 11.757 -7.943 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.898 10.213 -8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.140 11.337 -8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.646 9.664 -8.797 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.147 11.052 -13.625 1.00 0.00 N ATOM 1523 CA PRO A 96 -12.164 11.665 -14.939 1.00 0.00 C ATOM 1524 C PRO A 96 -13.535 12.276 -15.227 1.00 0.00 C ATOM 1525 O PRO A 96 -13.624 13.473 -15.501 1.00 0.00 O ATOM 1526 CB PRO A 96 -11.846 10.524 -15.904 1.00 0.00 C ATOM 1527 CG PRO A 96 -12.393 9.283 -15.198 1.00 0.00 C ATOM 1528 CD PRO A 96 -12.216 9.605 -13.715 1.00 0.00 C ATOM 0 HA PRO A 96 -11.447 12.481 -15.030 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.322 10.675 -16.873 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.774 10.441 -16.085 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.439 9.108 -15.448 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.843 8.386 -15.482 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.049 9.217 -13.129 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.309 9.146 -13.322 1.00 0.00 H new ATOM 1536 N ASP A 97 -14.596 11.464 -15.167 1.00 0.00 N ATOM 1537 CA ASP A 97 -15.965 11.920 -15.388 1.00 0.00 C ATOM 1538 C ASP A 97 -16.989 10.857 -14.980 1.00 0.00 C ATOM 1539 O ASP A 97 -18.136 10.877 -15.431 1.00 0.00 O ATOM 1540 CB ASP A 97 -16.135 12.271 -16.869 1.00 0.00 C ATOM 1541 CG ASP A 97 -17.449 12.998 -17.146 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -17.755 13.949 -16.394 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -18.138 12.597 -18.113 1.00 0.00 O ATOM 0 H ASP A 97 -14.524 10.467 -14.962 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.144 12.798 -14.768 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.302 12.896 -17.190 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.095 11.358 -17.463 1.00 0.00 H new ATOM 1548 N SER A 98 -16.570 9.927 -14.126 1.00 0.00 N ATOM 1549 CA SER A 98 -17.376 8.782 -13.703 1.00 0.00 C ATOM 1550 C SER A 98 -18.617 9.190 -12.916 1.00 0.00 C ATOM 1551 O SER A 98 -19.413 8.335 -12.541 1.00 0.00 O ATOM 1552 CB SER A 98 -16.535 7.880 -12.801 1.00 0.00 C ATOM 1553 OG SER A 98 -15.313 7.557 -13.425 1.00 0.00 O ATOM 0 H SER A 98 -15.644 9.947 -13.700 1.00 0.00 H new ATOM 0 HA SER A 98 -17.696 8.271 -14.611 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.344 8.381 -11.852 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.086 6.967 -12.574 1.00 0.00 H new ATOM 0 HG SER A 98 -14.786 6.980 -12.833 1.00 0.00 H new