USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 715 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 23 TYR OH : rot -45:sc= 1.72 USER MOD Set 1.2: A 28 MET CE :methyl -138:sc= -1.35 (180deg=-4.55!) USER MOD Set 2.1: A 13 ASN :FLIP amide:sc= -0.404 F(o=-1.2,f=-0.42) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -0.0149 K(o=-0.42,f=-1.3) USER MOD Single : A 1 VAL N :NH3+ -111:sc= -1.45 (180deg=-4.18!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 10 LYS NZ :NH3+ -160:sc= -0.19 (180deg=-0.712) USER MOD Single : A 12 SER OG : rot 12:sc= -0.0628 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -114:sc= 0.297 USER MOD Single : A 44 MET CE :methyl -133:sc= -0.245 (180deg=-4.03!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.383 K(o=-0.38,f=-3.8!) USER MOD Single : A 65 ASN : amide:sc= -1.03 K(o=-1,f=-2.7!) USER MOD Single : A 70 THR OG1 : rot -58:sc= 0.486 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.439 K(o=-0.44,f=-2.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 143:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.099 13.250 24.919 1.00 0.00 N ATOM 2 CA VAL A 1 -0.244 12.813 26.062 1.00 0.00 C ATOM 3 C VAL A 1 0.476 14.010 26.674 1.00 0.00 C ATOM 4 O VAL A 1 1.704 14.086 26.644 1.00 0.00 O ATOM 5 CB VAL A 1 0.782 11.777 25.612 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.716 12.370 24.562 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.580 11.259 26.806 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.101 13.148 25.176 1.00 0.00 H new ATOM 0 H2 VAL A 1 -0.898 14.246 24.696 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.894 12.661 24.087 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.894 12.360 26.811 1.00 0.00 H new ATOM 0 HB VAL A 1 0.249 10.938 25.164 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.441 11.617 24.253 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.135 12.691 23.697 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.241 13.227 24.984 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.307 10.521 26.466 1.00 0.00 H new ATOM 0 HG22 VAL A 1 2.102 12.089 27.283 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.902 10.796 27.524 1.00 0.00 H new ATOM 19 N PRO A 2 -0.283 14.965 27.237 1.00 0.00 N ATOM 20 CA PRO A 2 0.286 16.165 27.857 1.00 0.00 C ATOM 21 C PRO A 2 0.767 15.902 29.280 1.00 0.00 C ATOM 22 O PRO A 2 -0.025 15.910 30.223 1.00 0.00 O ATOM 23 CB PRO A 2 -0.866 17.157 27.854 1.00 0.00 C ATOM 24 CG PRO A 2 -2.115 16.331 27.834 1.00 0.00 C ATOM 25 CD PRO A 2 -1.753 14.956 27.315 1.00 0.00 C ATOM 0 HA PRO A 2 1.164 16.523 27.320 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.834 17.796 28.736 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.816 17.812 26.984 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.543 16.261 28.834 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.869 16.794 27.197 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.110 14.173 27.984 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.201 14.770 26.339 1.00 0.00 H new ATOM 33 N LYS A 3 2.066 15.670 29.428 1.00 0.00 N ATOM 34 CA LYS A 3 2.652 15.405 30.737 1.00 0.00 C ATOM 35 C LYS A 3 4.103 15.864 30.773 1.00 0.00 C ATOM 36 O LYS A 3 5.022 15.063 30.595 1.00 0.00 O ATOM 37 CB LYS A 3 2.568 13.915 31.053 1.00 0.00 C ATOM 38 CG LYS A 3 1.186 13.361 30.726 1.00 0.00 C ATOM 39 CD LYS A 3 1.059 11.901 31.153 1.00 0.00 C ATOM 40 CE LYS A 3 1.949 10.996 30.306 1.00 0.00 C ATOM 41 NZ LYS A 3 2.649 9.983 31.147 1.00 0.00 N ATOM 0 H LYS A 3 2.734 15.660 28.657 1.00 0.00 H new ATOM 0 HA LYS A 3 2.092 15.962 31.489 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.324 13.376 30.482 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.789 13.751 32.108 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.425 13.957 31.229 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.002 13.446 29.655 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.331 11.802 32.204 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.021 11.582 31.062 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.345 10.491 29.552 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.684 11.600 29.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.246 9.383 30.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.243 10.467 31.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.946 9.392 31.635 1.00 0.00 H new ATOM 55 N VAL A 4 4.304 17.156 31.007 1.00 0.00 N ATOM 56 CA VAL A 4 5.646 17.724 31.070 1.00 0.00 C ATOM 57 C VAL A 4 6.492 16.958 32.077 1.00 0.00 C ATOM 58 O VAL A 4 6.027 15.996 32.688 1.00 0.00 O ATOM 59 CB VAL A 4 5.572 19.196 31.466 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.129 20.049 30.280 1.00 0.00 C ATOM 61 CG2 VAL A 4 4.621 19.385 32.644 1.00 0.00 C ATOM 0 H VAL A 4 3.554 17.831 31.156 1.00 0.00 H new ATOM 0 HA VAL A 4 6.108 17.644 30.086 1.00 0.00 H new ATOM 0 HB VAL A 4 6.567 19.520 31.770 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.082 21.095 30.582 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.844 19.938 29.465 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.144 19.723 29.945 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.580 20.440 32.913 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.624 19.043 32.365 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.978 18.807 33.496 1.00 0.00 H new ATOM 71 N THR A 5 7.737 17.388 32.248 1.00 0.00 N ATOM 72 CA THR A 5 8.648 16.740 33.185 1.00 0.00 C ATOM 73 C THR A 5 9.682 17.735 33.695 1.00 0.00 C ATOM 74 O THR A 5 10.307 18.452 32.913 1.00 0.00 O ATOM 75 CB THR A 5 9.347 15.567 32.505 1.00 0.00 C ATOM 76 OG1 THR A 5 9.695 15.914 31.174 1.00 0.00 O ATOM 77 CG2 THR A 5 8.456 14.328 32.506 1.00 0.00 C ATOM 0 H THR A 5 8.139 18.182 31.750 1.00 0.00 H new ATOM 0 HA THR A 5 8.071 16.370 34.033 1.00 0.00 H new ATOM 0 HB THR A 5 10.254 15.337 33.065 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.145 15.156 30.745 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.976 13.505 32.016 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.222 14.049 33.533 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.532 14.544 31.970 1.00 0.00 H new ATOM 85 N PHE A 6 9.859 17.771 35.011 1.00 0.00 N ATOM 86 CA PHE A 6 10.820 18.676 35.631 1.00 0.00 C ATOM 87 C PHE A 6 12.116 17.939 35.937 1.00 0.00 C ATOM 88 O PHE A 6 12.190 16.717 35.808 1.00 0.00 O ATOM 89 CB PHE A 6 10.234 19.258 36.914 1.00 0.00 C ATOM 90 CG PHE A 6 8.911 19.946 36.693 1.00 0.00 C ATOM 91 CD1 PHE A 6 7.773 19.198 36.436 1.00 0.00 C ATOM 92 CD2 PHE A 6 8.832 21.328 36.745 1.00 0.00 C ATOM 93 CE1 PHE A 6 6.558 19.832 36.233 1.00 0.00 C ATOM 94 CE2 PHE A 6 7.618 21.962 36.542 1.00 0.00 C ATOM 95 CZ PHE A 6 6.481 21.214 36.286 1.00 0.00 C ATOM 0 H PHE A 6 9.349 17.183 35.670 1.00 0.00 H new ATOM 0 HA PHE A 6 11.035 19.489 34.938 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.105 18.459 37.644 1.00 0.00 H new ATOM 0 HB3 PHE A 6 10.941 19.969 37.341 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.833 18.121 36.394 1.00 0.00 H new ATOM 0 HD2 PHE A 6 9.719 21.912 36.944 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.671 19.249 36.033 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.558 23.040 36.583 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.534 21.708 36.128 1.00 0.00 H new ATOM 105 N THR A 7 13.136 18.686 36.344 1.00 0.00 N ATOM 106 CA THR A 7 14.432 18.100 36.669 1.00 0.00 C ATOM 107 C THR A 7 15.277 19.091 37.456 1.00 0.00 C ATOM 108 O THR A 7 15.797 20.059 36.901 1.00 0.00 O ATOM 109 CB THR A 7 15.159 17.699 35.389 1.00 0.00 C ATOM 110 OG1 THR A 7 14.219 17.340 34.388 1.00 0.00 O ATOM 111 CG2 THR A 7 16.113 16.537 35.651 1.00 0.00 C ATOM 0 H THR A 7 13.091 19.699 36.457 1.00 0.00 H new ATOM 0 HA THR A 7 14.271 17.212 37.281 1.00 0.00 H new ATOM 0 HB THR A 7 15.742 18.552 35.042 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.694 17.085 33.570 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.621 16.267 34.725 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.851 16.833 36.397 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.550 15.679 36.019 1.00 0.00 H new ATOM 119 N VAL A 8 15.411 18.842 38.753 1.00 0.00 N ATOM 120 CA VAL A 8 16.193 19.709 39.623 1.00 0.00 C ATOM 121 C VAL A 8 17.641 19.762 39.153 1.00 0.00 C ATOM 122 O VAL A 8 18.418 18.841 39.403 1.00 0.00 O ATOM 123 CB VAL A 8 16.127 19.196 41.058 1.00 0.00 C ATOM 124 CG1 VAL A 8 16.917 20.107 41.993 1.00 0.00 C ATOM 125 CG2 VAL A 8 14.676 19.085 41.516 1.00 0.00 C ATOM 0 H VAL A 8 14.987 18.044 39.226 1.00 0.00 H new ATOM 0 HA VAL A 8 15.777 20.716 39.584 1.00 0.00 H new ATOM 0 HB VAL A 8 16.577 18.204 41.090 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.857 19.723 43.011 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.960 20.136 41.677 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.499 21.113 41.959 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.645 18.718 42.542 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.203 20.066 41.468 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.141 18.392 40.866 1.00 0.00 H new ATOM 135 N GLU A 9 17.998 20.845 38.471 1.00 0.00 N ATOM 136 CA GLU A 9 19.355 21.020 37.963 1.00 0.00 C ATOM 137 C GLU A 9 20.343 21.110 39.116 1.00 0.00 C ATOM 138 O GLU A 9 19.972 20.958 40.280 1.00 0.00 O ATOM 139 CB GLU A 9 19.436 22.282 37.110 1.00 0.00 C ATOM 140 CG GLU A 9 19.156 21.975 35.642 1.00 0.00 C ATOM 141 CD GLU A 9 20.161 22.695 34.752 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.831 23.628 35.244 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.277 22.325 33.565 1.00 0.00 O ATOM 0 H GLU A 9 17.366 21.616 38.257 1.00 0.00 H new ATOM 0 HA GLU A 9 19.611 20.157 37.348 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.718 23.017 37.474 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.426 22.728 37.209 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.213 20.900 35.471 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.143 22.286 35.385 1.00 0.00 H new ATOM 150 N LYS A 10 21.605 21.359 38.786 1.00 0.00 N ATOM 151 CA LYS A 10 22.653 21.471 39.795 1.00 0.00 C ATOM 152 C LYS A 10 22.738 22.894 40.347 1.00 0.00 C ATOM 153 O LYS A 10 23.683 23.230 41.060 1.00 0.00 O ATOM 154 CB LYS A 10 23.998 21.070 39.195 1.00 0.00 C ATOM 155 CG LYS A 10 24.320 21.900 37.955 1.00 0.00 C ATOM 156 CD LYS A 10 25.812 22.211 37.870 1.00 0.00 C ATOM 157 CE LYS A 10 26.159 22.899 36.553 1.00 0.00 C ATOM 158 NZ LYS A 10 25.648 22.126 35.385 1.00 0.00 N ATOM 0 H LYS A 10 21.928 21.487 37.827 1.00 0.00 H new ATOM 0 HA LYS A 10 22.405 20.799 40.617 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.784 21.202 39.938 1.00 0.00 H new ATOM 0 HB3 LYS A 10 23.981 20.012 38.933 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.007 21.360 37.061 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.753 22.831 37.980 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.101 22.850 38.704 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.384 21.288 37.963 1.00 0.00 H new ATOM 0 HE2 LYS A 10 25.733 23.902 36.542 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.240 23.010 36.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.166 22.408 34.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.787 21.109 35.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 24.634 22.321 35.257 1.00 0.00 H new ATOM 172 N GLY A 11 21.751 23.730 40.022 1.00 0.00 N ATOM 173 CA GLY A 11 21.733 25.107 40.499 1.00 0.00 C ATOM 174 C GLY A 11 21.480 25.150 41.999 1.00 0.00 C ATOM 175 O GLY A 11 21.938 26.059 42.691 1.00 0.00 O ATOM 0 H GLY A 11 20.958 23.476 39.433 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.684 25.589 40.271 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.958 25.668 39.978 1.00 0.00 H new ATOM 179 N SER A 12 20.749 24.158 42.498 1.00 0.00 N ATOM 180 CA SER A 12 20.433 24.076 43.920 1.00 0.00 C ATOM 181 C SER A 12 21.707 24.161 44.749 1.00 0.00 C ATOM 182 O SER A 12 22.485 23.209 44.809 1.00 0.00 O ATOM 183 CB SER A 12 19.705 22.769 44.218 1.00 0.00 C ATOM 184 OG SER A 12 20.610 21.677 44.189 1.00 0.00 O ATOM 0 H SER A 12 20.364 23.398 41.937 1.00 0.00 H new ATOM 0 HA SER A 12 19.786 24.912 44.184 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.227 22.827 45.196 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.913 22.612 43.486 1.00 0.00 H new ATOM 0 HG SER A 12 21.530 22.015 44.171 1.00 0.00 H new ATOM 190 N ASN A 13 21.915 25.307 45.388 1.00 0.00 N ATOM 191 CA ASN A 13 23.097 25.520 46.216 1.00 0.00 C ATOM 192 C ASN A 13 22.827 25.077 47.648 1.00 0.00 C ATOM 193 O ASN A 13 23.397 24.094 48.122 1.00 0.00 O ATOM 194 CB ASN A 13 23.492 26.993 46.191 1.00 0.00 C ATOM 195 CG ASN A 13 23.474 27.519 44.761 1.00 0.00 C ATOM 196 OD1 ASN A 13 22.347 28.093 44.355 1.00 0.00 O flip ATOM 197 ND2 ASN A 13 24.462 27.407 44.035 1.00 0.00 N flip ATOM 0 H ASN A 13 21.280 26.104 45.348 1.00 0.00 H new ATOM 0 HA ASN A 13 23.917 24.925 45.815 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.804 27.572 46.808 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.486 27.118 46.619 1.00 0.00 H new ATOM 0 HD21 ASN A 13 25.307 26.959 44.389 1.00 0.00 H new ATOM 0 HD22 ASN A 13 24.436 27.763 43.079 1.00 0.00 H new ATOM 204 N GLU A 14 21.953 25.807 48.334 1.00 0.00 N ATOM 205 CA GLU A 14 21.606 25.488 49.715 1.00 0.00 C ATOM 206 C GLU A 14 20.100 25.586 49.920 1.00 0.00 C ATOM 207 O GLU A 14 19.464 24.636 50.378 1.00 0.00 O ATOM 208 CB GLU A 14 22.326 26.440 50.665 1.00 0.00 C ATOM 209 CG GLU A 14 23.821 26.136 50.723 1.00 0.00 C ATOM 210 CD GLU A 14 24.598 27.382 51.128 1.00 0.00 C ATOM 211 OE1 GLU A 14 24.680 28.324 50.312 1.00 0.00 O ATOM 212 OE2 GLU A 14 25.124 27.413 52.260 1.00 0.00 O ATOM 0 H GLU A 14 21.472 26.623 47.956 1.00 0.00 H new ATOM 0 HA GLU A 14 21.920 24.466 49.928 1.00 0.00 H new ATOM 0 HB2 GLU A 14 22.174 27.469 50.338 1.00 0.00 H new ATOM 0 HB3 GLU A 14 21.896 26.356 51.663 1.00 0.00 H new ATOM 0 HG2 GLU A 14 24.009 25.334 51.437 1.00 0.00 H new ATOM 0 HG3 GLU A 14 24.166 25.784 49.751 1.00 0.00 H new ATOM 219 N LYS A 15 19.533 26.737 49.577 1.00 0.00 N ATOM 220 CA LYS A 15 18.097 26.957 49.723 1.00 0.00 C ATOM 221 C LYS A 15 17.434 27.061 48.355 1.00 0.00 C ATOM 222 O LYS A 15 16.253 26.750 48.201 1.00 0.00 O ATOM 223 CB LYS A 15 17.840 28.230 50.525 1.00 0.00 C ATOM 224 CG LYS A 15 18.774 29.357 50.093 1.00 0.00 C ATOM 225 CD LYS A 15 20.023 29.403 50.968 1.00 0.00 C ATOM 226 CE LYS A 15 19.896 30.463 52.058 1.00 0.00 C ATOM 227 NZ LYS A 15 21.183 30.650 52.785 1.00 0.00 N ATOM 0 H LYS A 15 20.045 27.533 49.196 1.00 0.00 H new ATOM 0 HA LYS A 15 17.668 26.109 50.256 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.804 28.543 50.393 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.978 28.027 51.587 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.061 29.216 49.051 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.250 30.311 50.152 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.186 28.427 51.424 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.895 29.616 50.350 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.586 31.409 51.614 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.117 30.171 52.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.064 31.377 53.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.465 29.752 53.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.919 30.952 52.115 1.00 0.00 H new ATOM 241 N HIS A 16 18.202 27.500 47.363 1.00 0.00 N ATOM 242 CA HIS A 16 17.691 27.646 46.004 1.00 0.00 C ATOM 243 C HIS A 16 17.031 26.352 45.544 1.00 0.00 C ATOM 244 O HIS A 16 16.993 25.367 46.281 1.00 0.00 O ATOM 245 CB HIS A 16 18.830 28.014 45.057 1.00 0.00 C ATOM 246 CG HIS A 16 19.206 29.461 45.135 1.00 0.00 C ATOM 247 ND1 HIS A 16 19.084 30.210 46.277 1.00 0.00 N ATOM 248 CD2 HIS A 16 19.708 30.317 44.208 1.00 0.00 C ATOM 249 CE1 HIS A 16 19.481 31.445 46.075 1.00 0.00 C ATOM 250 NE2 HIS A 16 19.872 31.549 44.816 1.00 0.00 N ATOM 0 H HIS A 16 19.182 27.761 47.475 1.00 0.00 H new ATOM 0 HA HIS A 16 16.946 28.442 45.994 1.00 0.00 H new ATOM 0 HB2 HIS A 16 19.702 27.404 45.291 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.538 27.774 44.035 1.00 0.00 H new ATOM 0 HD2 HIS A 16 19.938 30.079 43.180 1.00 0.00 H new ATOM 0 HE1 HIS A 16 19.487 32.237 46.809 1.00 0.00 H new ATOM 0 HE2 HIS A 16 20.233 32.392 44.370 1.00 0.00 H new ATOM 258 N LEU A 17 16.513 26.361 44.320 1.00 0.00 N ATOM 259 CA LEU A 17 15.853 25.187 43.757 1.00 0.00 C ATOM 260 C LEU A 17 15.820 25.279 42.237 1.00 0.00 C ATOM 261 O LEU A 17 14.825 25.708 41.652 1.00 0.00 O ATOM 262 CB LEU A 17 14.433 25.075 44.303 1.00 0.00 C ATOM 263 CG LEU A 17 13.778 23.760 43.888 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.659 22.574 44.272 1.00 0.00 C ATOM 265 CD2 LEU A 17 12.397 23.628 44.523 1.00 0.00 C ATOM 0 H LEU A 17 16.537 27.169 43.698 1.00 0.00 H new ATOM 0 HA LEU A 17 16.415 24.298 44.043 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.453 25.146 45.391 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.835 25.911 43.940 1.00 0.00 H new ATOM 0 HG LEU A 17 13.661 23.762 42.804 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.174 21.647 43.967 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.624 22.660 43.772 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.810 22.567 45.352 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.944 22.685 44.217 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.492 23.649 45.609 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.766 24.456 44.198 1.00 0.00 H new ATOM 277 N ALA A 18 16.916 24.875 41.602 1.00 0.00 N ATOM 278 CA ALA A 18 17.018 24.912 40.147 1.00 0.00 C ATOM 279 C ALA A 18 16.179 23.804 39.525 1.00 0.00 C ATOM 280 O ALA A 18 15.863 22.809 40.177 1.00 0.00 O ATOM 281 CB ALA A 18 18.476 24.758 39.724 1.00 0.00 C ATOM 0 H ALA A 18 17.747 24.518 42.073 1.00 0.00 H new ATOM 0 HA ALA A 18 16.642 25.873 39.796 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.544 24.787 38.637 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.065 25.572 40.146 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.861 23.805 40.087 1.00 0.00 H new ATOM 287 N VAL A 19 15.823 23.983 38.257 1.00 0.00 N ATOM 288 CA VAL A 19 15.021 22.999 37.535 1.00 0.00 C ATOM 289 C VAL A 19 15.220 23.153 36.033 1.00 0.00 C ATOM 290 O VAL A 19 15.283 24.269 35.518 1.00 0.00 O ATOM 291 CB VAL A 19 13.546 23.173 37.881 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.311 22.933 39.370 1.00 0.00 C ATOM 293 CG2 VAL A 19 13.063 24.564 37.480 1.00 0.00 C ATOM 0 H VAL A 19 16.078 24.803 37.706 1.00 0.00 H new ATOM 0 HA VAL A 19 15.344 22.001 37.832 1.00 0.00 H new ATOM 0 HB VAL A 19 12.973 22.434 37.320 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.253 23.062 39.597 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.616 21.919 39.628 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.896 23.647 39.950 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.008 24.670 37.734 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.643 25.318 38.013 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.193 24.699 36.406 1.00 0.00 H new ATOM 303 N LEU A 20 15.319 22.028 35.333 1.00 0.00 N ATOM 304 CA LEU A 20 15.511 22.040 33.887 1.00 0.00 C ATOM 305 C LEU A 20 14.179 21.850 33.172 1.00 0.00 C ATOM 306 O LEU A 20 14.012 20.916 32.387 1.00 0.00 O ATOM 307 CB LEU A 20 16.482 20.936 33.479 1.00 0.00 C ATOM 308 CG LEU A 20 17.423 21.407 32.374 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.481 20.347 32.081 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.637 21.743 31.110 1.00 0.00 C ATOM 0 H LEU A 20 15.269 21.096 35.744 1.00 0.00 H new ATOM 0 HA LEU A 20 15.927 23.006 33.600 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.064 20.622 34.346 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.923 20.065 33.137 1.00 0.00 H new ATOM 0 HG LEU A 20 17.929 22.310 32.716 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.142 20.702 31.290 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.063 20.155 32.982 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.994 19.426 31.761 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.324 22.077 30.332 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.104 20.856 30.767 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.921 22.536 31.327 1.00 0.00 H new ATOM 322 N VAL A 21 13.232 22.742 33.446 1.00 0.00 N ATOM 323 CA VAL A 21 11.913 22.673 32.828 1.00 0.00 C ATOM 324 C VAL A 21 12.034 22.744 31.312 1.00 0.00 C ATOM 325 O VAL A 21 12.091 23.829 30.734 1.00 0.00 O ATOM 326 CB VAL A 21 11.040 23.817 33.334 1.00 0.00 C ATOM 327 CG1 VAL A 21 9.595 23.629 32.879 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.114 23.914 34.855 1.00 0.00 C ATOM 0 H VAL A 21 13.354 23.521 34.092 1.00 0.00 H new ATOM 0 HA VAL A 21 11.450 21.724 33.098 1.00 0.00 H new ATOM 0 HB VAL A 21 11.415 24.749 32.911 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.987 24.454 33.249 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.556 23.609 31.790 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.209 22.689 33.273 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.485 24.735 35.198 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.765 22.981 35.297 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.145 24.095 35.158 1.00 0.00 H new ATOM 338 N LYS A 22 12.073 21.580 30.672 1.00 0.00 N ATOM 339 CA LYS A 22 12.189 21.507 29.220 1.00 0.00 C ATOM 340 C LYS A 22 11.551 20.226 28.699 1.00 0.00 C ATOM 341 O LYS A 22 11.547 19.201 29.381 1.00 0.00 O ATOM 342 CB LYS A 22 13.658 21.558 28.813 1.00 0.00 C ATOM 343 CG LYS A 22 13.809 21.657 27.298 1.00 0.00 C ATOM 344 CD LYS A 22 15.106 22.364 26.918 1.00 0.00 C ATOM 345 CE LYS A 22 16.108 21.389 26.306 1.00 0.00 C ATOM 346 NZ LYS A 22 17.354 21.313 27.119 1.00 0.00 N ATOM 0 H LYS A 22 12.026 20.673 31.137 1.00 0.00 H new ATOM 0 HA LYS A 22 11.666 22.359 28.785 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.139 22.414 29.286 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.169 20.666 29.174 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.795 20.658 26.862 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.961 22.199 26.880 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.893 23.163 26.208 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.542 22.830 27.802 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.658 20.399 26.233 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.352 21.704 25.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.016 20.643 26.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.795 22.254 27.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.122 20.990 28.080 1.00 0.00 H new ATOM 360 N TYR A 23 11.014 20.289 27.485 1.00 0.00 N ATOM 361 CA TYR A 23 10.373 19.133 26.868 1.00 0.00 C ATOM 362 C TYR A 23 10.090 19.408 25.397 1.00 0.00 C ATOM 363 O TYR A 23 9.649 20.498 25.033 1.00 0.00 O ATOM 364 CB TYR A 23 9.071 18.807 27.594 1.00 0.00 C ATOM 365 CG TYR A 23 8.241 20.031 27.886 1.00 0.00 C ATOM 366 CD1 TYR A 23 8.448 20.747 29.053 1.00 0.00 C ATOM 367 CD2 TYR A 23 7.271 20.442 26.987 1.00 0.00 C ATOM 368 CE1 TYR A 23 7.685 21.872 29.320 1.00 0.00 C ATOM 369 CE2 TYR A 23 6.510 21.568 27.256 1.00 0.00 C ATOM 370 CZ TYR A 23 6.721 22.276 28.421 1.00 0.00 C ATOM 371 OH TYR A 23 5.964 23.395 28.687 1.00 0.00 O ATOM 0 H TYR A 23 11.010 21.130 26.908 1.00 0.00 H new ATOM 0 HA TYR A 23 11.047 18.280 26.943 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.487 18.114 26.989 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.300 18.298 28.530 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.204 20.428 29.755 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.108 19.885 26.076 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.845 22.431 30.230 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.754 21.891 26.556 1.00 0.00 H new ATOM 0 HH TYR A 23 5.668 23.376 29.621 1.00 0.00 H new ATOM 381 N GLU A 24 10.345 18.413 24.555 1.00 0.00 N ATOM 382 CA GLU A 24 10.118 18.547 23.120 1.00 0.00 C ATOM 383 C GLU A 24 8.677 18.959 22.850 1.00 0.00 C ATOM 384 O GLU A 24 7.779 18.667 23.640 1.00 0.00 O ATOM 385 CB GLU A 24 10.422 17.226 22.420 1.00 0.00 C ATOM 386 CG GLU A 24 10.711 17.441 20.937 1.00 0.00 C ATOM 387 CD GLU A 24 9.503 17.041 20.101 1.00 0.00 C ATOM 388 OE1 GLU A 24 8.363 17.309 20.535 1.00 0.00 O ATOM 389 OE2 GLU A 24 9.698 16.461 19.012 1.00 0.00 O ATOM 0 H GLU A 24 10.709 17.504 24.841 1.00 0.00 H new ATOM 0 HA GLU A 24 10.782 19.318 22.730 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.279 16.749 22.895 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.576 16.548 22.534 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.958 18.487 20.755 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.579 16.853 20.639 1.00 0.00 H new ATOM 396 N GLY A 25 8.461 19.641 21.730 1.00 0.00 N ATOM 397 CA GLY A 25 7.127 20.096 21.355 1.00 0.00 C ATOM 398 C GLY A 25 7.050 21.617 21.377 1.00 0.00 C ATOM 399 O GLY A 25 7.080 22.264 20.330 1.00 0.00 O ATOM 0 H GLY A 25 9.193 19.891 21.066 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.879 19.729 20.359 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.389 19.680 22.041 1.00 0.00 H new ATOM 403 N ASP A 26 6.951 22.183 22.575 1.00 0.00 N ATOM 404 CA ASP A 26 6.871 23.632 22.733 1.00 0.00 C ATOM 405 C ASP A 26 8.206 24.187 23.211 1.00 0.00 C ATOM 406 O ASP A 26 9.165 23.440 23.409 1.00 0.00 O ATOM 407 CB ASP A 26 5.771 23.989 23.729 1.00 0.00 C ATOM 408 CG ASP A 26 4.951 25.162 23.209 1.00 0.00 C ATOM 409 OD1 ASP A 26 5.546 26.088 22.618 1.00 0.00 O ATOM 410 OD2 ASP A 26 3.716 25.153 23.392 1.00 0.00 O ATOM 0 H ASP A 26 6.924 21.661 23.451 1.00 0.00 H new ATOM 0 HA ASP A 26 6.634 24.076 21.766 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.124 23.127 23.891 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.212 24.243 24.693 1.00 0.00 H new ATOM 415 N THR A 27 8.264 25.502 23.393 1.00 0.00 N ATOM 416 CA THR A 27 9.486 26.160 23.845 1.00 0.00 C ATOM 417 C THR A 27 9.333 26.641 25.283 1.00 0.00 C ATOM 418 O THR A 27 8.464 26.170 26.017 1.00 0.00 O ATOM 419 CB THR A 27 9.811 27.338 22.932 1.00 0.00 C ATOM 420 OG1 THR A 27 9.140 27.190 21.691 1.00 0.00 O ATOM 421 CG2 THR A 27 11.316 27.445 22.703 1.00 0.00 C ATOM 0 H THR A 27 7.479 26.134 23.235 1.00 0.00 H new ATOM 0 HA THR A 27 10.304 25.441 23.805 1.00 0.00 H new ATOM 0 HB THR A 27 9.470 28.253 23.416 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.353 27.951 21.111 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.525 28.292 22.049 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.820 27.591 23.658 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.679 26.529 22.238 1.00 0.00 H new ATOM 429 N MET A 28 10.187 27.578 25.682 1.00 0.00 N ATOM 430 CA MET A 28 10.154 28.123 27.035 1.00 0.00 C ATOM 431 C MET A 28 9.971 29.633 26.998 1.00 0.00 C ATOM 432 O MET A 28 10.713 30.341 26.316 1.00 0.00 O ATOM 433 CB MET A 28 11.450 27.785 27.756 1.00 0.00 C ATOM 434 CG MET A 28 11.489 26.317 28.169 1.00 0.00 C ATOM 435 SD MET A 28 10.216 25.910 29.375 1.00 0.00 S ATOM 436 CE MET A 28 9.478 24.455 28.614 1.00 0.00 C ATOM 0 H MET A 28 10.912 27.977 25.086 1.00 0.00 H new ATOM 0 HA MET A 28 9.312 27.680 27.568 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.298 28.005 27.107 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.553 28.416 28.639 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.363 25.690 27.286 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.469 26.086 28.587 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.393 24.506 28.708 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.749 24.419 27.559 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.844 23.558 29.114 1.00 0.00 H new ATOM 446 N ALA A 29 8.982 30.122 27.737 1.00 0.00 N ATOM 447 CA ALA A 29 8.700 31.551 27.788 1.00 0.00 C ATOM 448 C ALA A 29 8.897 32.086 29.202 1.00 0.00 C ATOM 449 O ALA A 29 9.663 33.026 29.417 1.00 0.00 O ATOM 450 CB ALA A 29 7.269 31.805 27.328 1.00 0.00 C ATOM 0 H ALA A 29 8.362 29.549 28.309 1.00 0.00 H new ATOM 0 HA ALA A 29 9.392 32.071 27.125 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.059 32.874 27.366 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.147 31.448 26.306 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.577 31.275 27.983 1.00 0.00 H new ATOM 456 N GLU A 30 8.202 31.485 30.162 1.00 0.00 N ATOM 457 CA GLU A 30 8.301 31.904 31.557 1.00 0.00 C ATOM 458 C GLU A 30 7.857 30.778 32.480 1.00 0.00 C ATOM 459 O GLU A 30 7.233 29.812 32.040 1.00 0.00 O ATOM 460 CB GLU A 30 7.436 33.140 31.789 1.00 0.00 C ATOM 461 CG GLU A 30 7.968 33.980 32.947 1.00 0.00 C ATOM 462 CD GLU A 30 7.355 35.374 32.909 1.00 0.00 C ATOM 463 OE1 GLU A 30 6.751 35.731 31.876 1.00 0.00 O ATOM 464 OE2 GLU A 30 7.479 36.106 33.913 1.00 0.00 O ATOM 0 H GLU A 30 7.564 30.706 30.000 1.00 0.00 H new ATOM 0 HA GLU A 30 9.340 32.147 31.778 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.409 33.743 30.882 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.411 32.835 31.999 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.732 33.497 33.895 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.054 34.050 32.886 1.00 0.00 H new ATOM 471 N VAL A 31 8.178 30.906 33.764 1.00 0.00 N ATOM 472 CA VAL A 31 7.809 29.896 34.750 1.00 0.00 C ATOM 473 C VAL A 31 7.451 30.552 36.074 1.00 0.00 C ATOM 474 O VAL A 31 7.972 31.614 36.416 1.00 0.00 O ATOM 475 CB VAL A 31 8.958 28.912 34.950 1.00 0.00 C ATOM 476 CG1 VAL A 31 8.585 27.857 35.988 1.00 0.00 C ATOM 477 CG2 VAL A 31 9.333 28.250 33.627 1.00 0.00 C ATOM 0 H VAL A 31 8.693 31.699 34.146 1.00 0.00 H new ATOM 0 HA VAL A 31 6.938 29.354 34.381 1.00 0.00 H new ATOM 0 HB VAL A 31 9.823 29.465 35.316 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.416 27.164 36.117 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.367 28.343 36.939 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.705 27.309 35.650 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.154 27.552 33.789 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.471 27.712 33.232 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.642 29.013 32.913 1.00 0.00 H new ATOM 487 N GLU A 32 6.547 29.918 36.811 1.00 0.00 N ATOM 488 CA GLU A 32 6.101 30.428 38.084 1.00 0.00 C ATOM 489 C GLU A 32 6.068 29.299 39.110 1.00 0.00 C ATOM 490 O GLU A 32 5.621 28.192 38.812 1.00 0.00 O ATOM 491 CB GLU A 32 4.714 31.032 37.903 1.00 0.00 C ATOM 492 CG GLU A 32 4.152 31.515 39.226 1.00 0.00 C ATOM 493 CD GLU A 32 4.446 32.998 39.422 1.00 0.00 C ATOM 494 OE1 GLU A 32 4.919 33.644 38.464 1.00 0.00 O ATOM 495 OE2 GLU A 32 4.201 33.511 40.534 1.00 0.00 O ATOM 0 H GLU A 32 6.109 29.039 36.536 1.00 0.00 H new ATOM 0 HA GLU A 32 6.786 31.195 38.446 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.765 31.864 37.201 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.044 30.289 37.469 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.076 31.345 39.254 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.587 30.941 40.044 1.00 0.00 H new ATOM 502 N LEU A 33 6.545 29.585 40.317 1.00 0.00 N ATOM 503 CA LEU A 33 6.574 28.603 41.384 1.00 0.00 C ATOM 504 C LEU A 33 5.658 29.066 42.519 1.00 0.00 C ATOM 505 O LEU A 33 5.442 30.264 42.702 1.00 0.00 O ATOM 506 CB LEU A 33 8.028 28.436 41.852 1.00 0.00 C ATOM 507 CG LEU A 33 8.131 27.841 43.251 1.00 0.00 C ATOM 508 CD1 LEU A 33 7.628 26.400 43.261 1.00 0.00 C ATOM 509 CD2 LEU A 33 9.567 27.913 43.761 1.00 0.00 C ATOM 0 H LEU A 33 6.919 30.498 40.577 1.00 0.00 H new ATOM 0 HA LEU A 33 6.210 27.635 41.039 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.560 27.795 41.149 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.524 29.407 41.837 1.00 0.00 H new ATOM 0 HG LEU A 33 7.501 28.428 43.920 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.710 25.993 44.269 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.585 26.376 42.944 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.229 25.800 42.578 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.620 27.483 44.761 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.220 27.354 43.091 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.889 28.954 43.796 1.00 0.00 H new ATOM 521 N ARG A 34 5.120 28.112 43.273 1.00 0.00 N ATOM 522 CA ARG A 34 4.226 28.428 44.384 1.00 0.00 C ATOM 523 C ARG A 34 4.689 27.731 45.658 1.00 0.00 C ATOM 524 O ARG A 34 5.650 26.964 45.643 1.00 0.00 O ATOM 525 CB ARG A 34 2.803 27.996 44.044 1.00 0.00 C ATOM 526 CG ARG A 34 1.777 28.963 44.628 1.00 0.00 C ATOM 527 CD ARG A 34 0.667 28.215 45.361 1.00 0.00 C ATOM 528 NE ARG A 34 -0.626 28.505 44.752 1.00 0.00 N ATOM 529 CZ ARG A 34 -1.750 28.493 45.460 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.436 27.367 45.599 1.00 0.00 N ATOM 531 NH2 ARG A 34 -2.188 29.607 46.031 1.00 0.00 N ATOM 0 H ARG A 34 5.287 27.115 43.136 1.00 0.00 H new ATOM 0 HA ARG A 34 4.245 29.505 44.550 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.684 27.946 42.962 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.623 26.993 44.431 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.271 29.650 45.315 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.346 29.566 43.829 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.859 27.143 45.329 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.655 28.506 46.411 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.668 28.723 43.756 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.101 26.508 45.162 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.299 27.359 46.143 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.662 30.474 45.927 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.051 29.596 46.574 1.00 0.00 H new ATOM 545 N GLU A 35 3.999 28.004 46.761 1.00 0.00 N ATOM 546 CA GLU A 35 4.342 27.403 48.047 1.00 0.00 C ATOM 547 C GLU A 35 3.088 26.989 48.814 1.00 0.00 C ATOM 548 O GLU A 35 3.160 26.676 50.002 1.00 0.00 O ATOM 549 CB GLU A 35 5.150 28.392 48.880 1.00 0.00 C ATOM 550 CG GLU A 35 6.439 27.758 49.394 1.00 0.00 C ATOM 551 CD GLU A 35 6.120 26.603 50.334 1.00 0.00 C ATOM 552 OE1 GLU A 35 5.403 26.828 51.332 1.00 0.00 O ATOM 553 OE2 GLU A 35 6.587 25.476 50.071 1.00 0.00 O ATOM 0 H GLU A 35 3.200 28.637 46.791 1.00 0.00 H new ATOM 0 HA GLU A 35 4.937 26.510 47.857 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.388 29.269 48.278 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.550 28.737 49.722 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.036 27.399 48.555 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.038 28.505 49.915 1.00 0.00 H new ATOM 560 N HIS A 36 1.939 26.985 48.138 1.00 0.00 N ATOM 561 CA HIS A 36 0.680 26.607 48.772 1.00 0.00 C ATOM 562 C HIS A 36 0.277 27.640 49.817 1.00 0.00 C ATOM 563 O HIS A 36 -0.701 28.367 49.641 1.00 0.00 O ATOM 564 CB HIS A 36 0.815 25.235 49.426 1.00 0.00 C ATOM 565 CG HIS A 36 -0.428 24.409 49.303 1.00 0.00 C ATOM 566 ND1 HIS A 36 -1.200 24.048 50.377 1.00 0.00 N ATOM 567 CD2 HIS A 36 -1.049 23.863 48.226 1.00 0.00 C ATOM 568 CE1 HIS A 36 -2.230 23.327 49.996 1.00 0.00 C ATOM 569 NE2 HIS A 36 -2.170 23.193 48.681 1.00 0.00 N ATOM 0 H HIS A 36 1.856 27.239 47.154 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.094 26.564 48.006 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.648 24.700 48.969 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.058 25.363 50.481 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.726 23.938 47.198 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.992 22.916 50.642 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.837 22.683 48.102 1.00 0.00 H new ATOM 577 N GLY A 37 1.038 27.700 50.905 1.00 0.00 N ATOM 578 CA GLY A 37 0.763 28.643 51.983 1.00 0.00 C ATOM 579 C GLY A 37 1.027 30.074 51.532 1.00 0.00 C ATOM 580 O GLY A 37 0.438 31.018 52.058 1.00 0.00 O ATOM 0 H GLY A 37 1.851 27.105 51.064 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.274 28.544 52.303 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.387 28.408 52.845 1.00 0.00 H new ATOM 584 N SER A 38 1.916 30.229 50.556 1.00 0.00 N ATOM 585 CA SER A 38 2.261 31.549 50.034 1.00 0.00 C ATOM 586 C SER A 38 0.998 32.323 49.672 1.00 0.00 C ATOM 587 O SER A 38 0.044 31.757 49.138 1.00 0.00 O ATOM 588 CB SER A 38 3.152 31.405 48.803 1.00 0.00 C ATOM 589 OG SER A 38 3.750 32.649 48.473 1.00 0.00 O ATOM 0 H SER A 38 2.411 29.457 50.110 1.00 0.00 H new ATOM 0 HA SER A 38 2.801 32.099 50.805 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.926 30.662 48.992 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.562 31.044 47.960 1.00 0.00 H new ATOM 0 HG SER A 38 3.407 32.958 47.609 1.00 0.00 H new ATOM 595 N ASP A 39 0.998 33.620 49.967 1.00 0.00 N ATOM 596 CA ASP A 39 -0.151 34.475 49.672 1.00 0.00 C ATOM 597 C ASP A 39 -0.605 34.279 48.231 1.00 0.00 C ATOM 598 O ASP A 39 -1.789 34.410 47.919 1.00 0.00 O ATOM 599 CB ASP A 39 0.216 35.937 49.907 1.00 0.00 C ATOM 600 CG ASP A 39 -1.040 36.767 50.138 1.00 0.00 C ATOM 601 OD1 ASP A 39 -2.108 36.391 49.610 1.00 0.00 O ATOM 602 OD2 ASP A 39 -0.955 37.792 50.846 1.00 0.00 O ATOM 0 H ASP A 39 1.780 34.103 50.410 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.970 34.199 50.336 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.878 36.019 50.769 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.763 36.324 49.047 1.00 0.00 H new ATOM 607 N GLU A 40 0.344 33.962 47.355 1.00 0.00 N ATOM 608 CA GLU A 40 0.046 33.744 45.944 1.00 0.00 C ATOM 609 C GLU A 40 1.263 33.178 45.225 1.00 0.00 C ATOM 610 O GLU A 40 2.350 33.093 45.797 1.00 0.00 O ATOM 611 CB GLU A 40 -0.376 35.058 45.294 1.00 0.00 C ATOM 612 CG GLU A 40 0.663 36.151 45.528 1.00 0.00 C ATOM 613 CD GLU A 40 -0.002 37.395 46.102 1.00 0.00 C ATOM 614 OE1 GLU A 40 -0.684 37.279 47.143 1.00 0.00 O ATOM 615 OE2 GLU A 40 0.159 38.483 45.511 1.00 0.00 O ATOM 0 H GLU A 40 1.328 33.850 47.599 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.771 33.026 45.866 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.515 34.908 44.223 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.337 35.374 45.699 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.431 35.792 46.213 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.161 36.396 44.590 1.00 0.00 H new ATOM 622 N TRP A 41 1.074 32.792 43.968 1.00 0.00 N ATOM 623 CA TRP A 41 2.157 32.234 43.166 1.00 0.00 C ATOM 624 C TRP A 41 3.341 33.191 43.140 1.00 0.00 C ATOM 625 O TRP A 41 3.168 34.410 43.178 1.00 0.00 O ATOM 626 CB TRP A 41 1.672 31.972 41.743 1.00 0.00 C ATOM 627 CG TRP A 41 0.670 30.862 41.666 1.00 0.00 C ATOM 628 CD1 TRP A 41 -0.658 30.930 41.990 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.912 29.508 41.231 1.00 0.00 C ATOM 630 NE1 TRP A 41 -1.226 29.705 41.777 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.303 28.817 41.316 1.00 0.00 C ATOM 632 CE3 TRP A 41 2.038 28.816 40.778 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.417 27.481 40.968 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.932 27.478 40.428 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.714 26.816 40.522 1.00 0.00 C ATOM 0 H TRP A 41 0.180 32.855 43.482 1.00 0.00 H new ATOM 0 HA TRP A 41 2.474 31.292 43.614 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.229 32.883 41.342 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.527 31.728 41.112 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.172 31.807 42.354 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.209 29.486 41.941 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.989 29.322 40.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.365 26.970 41.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.805 26.946 40.079 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.648 25.774 40.245 1.00 0.00 H new ATOM 646 N VAL A 42 4.546 32.634 43.072 1.00 0.00 N ATOM 647 CA VAL A 42 5.761 33.440 43.039 1.00 0.00 C ATOM 648 C VAL A 42 6.598 33.084 41.818 1.00 0.00 C ATOM 649 O VAL A 42 7.171 31.998 41.740 1.00 0.00 O ATOM 650 CB VAL A 42 6.570 33.214 44.312 1.00 0.00 C ATOM 651 CG1 VAL A 42 5.914 33.921 45.495 1.00 0.00 C ATOM 652 CG2 VAL A 42 6.716 31.723 44.598 1.00 0.00 C ATOM 0 H VAL A 42 4.707 31.627 43.039 1.00 0.00 H new ATOM 0 HA VAL A 42 5.483 34.492 42.977 1.00 0.00 H new ATOM 0 HB VAL A 42 7.564 33.635 44.165 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.505 33.749 46.395 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.860 34.991 45.295 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.908 33.528 45.641 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.296 31.583 45.510 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.729 31.278 44.724 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.228 31.241 43.765 1.00 0.00 H new ATOM 662 N ALA A 43 6.662 34.006 40.862 1.00 0.00 N ATOM 663 CA ALA A 43 7.428 33.791 39.638 1.00 0.00 C ATOM 664 C ALA A 43 8.841 33.327 39.968 1.00 0.00 C ATOM 665 O ALA A 43 9.493 33.876 40.857 1.00 0.00 O ATOM 666 CB ALA A 43 7.482 35.080 38.822 1.00 0.00 C ATOM 0 H ALA A 43 6.192 34.910 40.911 1.00 0.00 H new ATOM 0 HA ALA A 43 6.934 33.016 39.051 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.055 34.910 37.911 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.470 35.388 38.561 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.960 35.863 39.410 1.00 0.00 H new ATOM 672 N MET A 44 9.305 32.312 39.249 1.00 0.00 N ATOM 673 CA MET A 44 10.640 31.766 39.460 1.00 0.00 C ATOM 674 C MET A 44 11.688 32.867 39.382 1.00 0.00 C ATOM 675 O MET A 44 11.358 34.051 39.319 1.00 0.00 O ATOM 676 CB MET A 44 10.930 30.699 38.413 1.00 0.00 C ATOM 677 CG MET A 44 10.719 29.302 38.982 1.00 0.00 C ATOM 678 SD MET A 44 12.271 28.463 39.340 1.00 0.00 S ATOM 679 CE MET A 44 11.722 27.229 40.529 1.00 0.00 C ATOM 0 H MET A 44 8.774 31.849 38.512 1.00 0.00 H new ATOM 0 HA MET A 44 10.681 31.319 40.453 1.00 0.00 H new ATOM 0 HB2 MET A 44 10.280 30.846 37.550 1.00 0.00 H new ATOM 0 HB3 MET A 44 11.956 30.800 38.060 1.00 0.00 H new ATOM 0 HG2 MET A 44 10.127 29.370 39.895 1.00 0.00 H new ATOM 0 HG3 MET A 44 10.143 28.707 38.273 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.398 27.221 41.384 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.714 27.471 40.866 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.721 26.246 40.059 1.00 0.00 H new ATOM 689 N THR A 45 12.953 32.467 39.387 1.00 0.00 N ATOM 690 CA THR A 45 14.057 33.419 39.319 1.00 0.00 C ATOM 691 C THR A 45 15.030 33.029 38.215 1.00 0.00 C ATOM 692 O THR A 45 15.948 32.238 38.434 1.00 0.00 O ATOM 693 CB THR A 45 14.785 33.467 40.658 1.00 0.00 C ATOM 694 OG1 THR A 45 13.869 33.776 41.698 1.00 0.00 O ATOM 695 CG2 THR A 45 15.909 34.498 40.627 1.00 0.00 C ATOM 0 H THR A 45 13.241 31.490 39.437 1.00 0.00 H new ATOM 0 HA THR A 45 13.652 34.406 39.095 1.00 0.00 H new ATOM 0 HB THR A 45 15.224 32.487 40.847 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.344 33.803 42.555 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.414 34.515 41.593 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.624 34.233 39.848 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.493 35.484 40.418 1.00 0.00 H new ATOM 703 N LYS A 46 14.827 33.590 37.027 1.00 0.00 N ATOM 704 CA LYS A 46 15.691 33.299 35.888 1.00 0.00 C ATOM 705 C LYS A 46 17.061 33.934 36.085 1.00 0.00 C ATOM 706 O LYS A 46 17.325 35.034 35.600 1.00 0.00 O ATOM 707 CB LYS A 46 15.054 33.812 34.597 1.00 0.00 C ATOM 708 CG LYS A 46 14.819 35.319 34.646 1.00 0.00 C ATOM 709 CD LYS A 46 13.690 35.731 33.707 1.00 0.00 C ATOM 710 CE LYS A 46 14.144 35.701 32.250 1.00 0.00 C ATOM 711 NZ LYS A 46 12.991 35.495 31.328 1.00 0.00 N ATOM 0 H LYS A 46 14.073 34.248 36.828 1.00 0.00 H new ATOM 0 HA LYS A 46 15.815 32.219 35.814 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.699 33.571 33.752 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.106 33.301 34.430 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.576 35.619 35.665 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.735 35.842 34.370 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.841 35.061 33.840 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.348 36.734 33.963 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.647 36.636 32.004 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.872 34.902 32.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.331 35.479 30.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.527 34.591 31.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.309 36.271 31.446 1.00 0.00 H new ATOM 725 N GLY A 47 17.932 33.230 36.801 1.00 0.00 N ATOM 726 CA GLY A 47 19.281 33.717 37.067 1.00 0.00 C ATOM 727 C GLY A 47 20.273 32.562 37.071 1.00 0.00 C ATOM 728 O GLY A 47 21.283 32.600 37.774 1.00 0.00 O ATOM 0 H GLY A 47 17.727 32.318 37.208 1.00 0.00 H new ATOM 0 HA2 GLY A 47 19.567 34.447 36.310 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.306 34.229 38.029 1.00 0.00 H new ATOM 732 N GLU A 48 19.977 31.533 36.284 1.00 0.00 N ATOM 733 CA GLU A 48 20.841 30.361 36.196 1.00 0.00 C ATOM 734 C GLU A 48 21.550 30.321 34.849 1.00 0.00 C ATOM 735 O GLU A 48 21.278 31.137 33.968 1.00 0.00 O ATOM 736 CB GLU A 48 20.014 29.093 36.388 1.00 0.00 C ATOM 737 CG GLU A 48 20.463 28.323 37.625 1.00 0.00 C ATOM 738 CD GLU A 48 21.460 27.238 37.239 1.00 0.00 C ATOM 739 OE1 GLU A 48 22.458 27.561 36.561 1.00 0.00 O ATOM 740 OE2 GLU A 48 21.242 26.067 37.615 1.00 0.00 O ATOM 0 H GLU A 48 19.144 31.487 35.697 1.00 0.00 H new ATOM 0 HA GLU A 48 21.594 30.422 36.982 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.960 29.354 36.482 1.00 0.00 H new ATOM 0 HB3 GLU A 48 20.108 28.458 35.507 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.918 29.006 38.342 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.599 27.875 38.116 1.00 0.00 H new ATOM 747 N GLY A 49 22.460 29.364 34.696 1.00 0.00 N ATOM 748 CA GLY A 49 23.212 29.212 33.456 1.00 0.00 C ATOM 749 C GLY A 49 22.273 28.959 32.284 1.00 0.00 C ATOM 750 O GLY A 49 22.555 29.357 31.154 1.00 0.00 O ATOM 0 H GLY A 49 22.694 28.681 35.417 1.00 0.00 H new ATOM 0 HA2 GLY A 49 23.801 30.110 33.269 1.00 0.00 H new ATOM 0 HA3 GLY A 49 23.915 28.384 33.550 1.00 0.00 H new ATOM 754 N GLY A 50 21.155 28.295 32.559 1.00 0.00 N ATOM 755 CA GLY A 50 20.174 27.989 31.524 1.00 0.00 C ATOM 756 C GLY A 50 18.954 27.298 32.120 1.00 0.00 C ATOM 757 O GLY A 50 18.356 26.425 31.491 1.00 0.00 O ATOM 0 H GLY A 50 20.906 27.959 33.489 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.868 28.908 31.024 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.626 27.349 30.767 1.00 0.00 H new ATOM 761 N VAL A 51 18.586 27.695 33.334 1.00 0.00 N ATOM 762 CA VAL A 51 17.432 27.115 34.013 1.00 0.00 C ATOM 763 C VAL A 51 16.824 28.121 34.981 1.00 0.00 C ATOM 764 O VAL A 51 17.303 29.248 35.101 1.00 0.00 O ATOM 765 CB VAL A 51 17.844 25.853 34.766 1.00 0.00 C ATOM 766 CG1 VAL A 51 18.087 24.706 33.789 1.00 0.00 C ATOM 767 CG2 VAL A 51 19.089 26.112 35.610 1.00 0.00 C ATOM 0 H VAL A 51 19.070 28.416 33.868 1.00 0.00 H new ATOM 0 HA VAL A 51 16.685 26.854 33.263 1.00 0.00 H new ATOM 0 HB VAL A 51 17.031 25.571 35.435 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.380 23.813 34.342 1.00 0.00 H new ATOM 0 HG12 VAL A 51 17.173 24.504 33.231 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.882 24.981 33.096 1.00 0.00 H new ATOM 0 HG21 VAL A 51 19.366 25.200 36.139 1.00 0.00 H new ATOM 0 HG22 VAL A 51 19.910 26.420 34.962 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.881 26.901 36.332 1.00 0.00 H new ATOM 777 N TRP A 52 15.762 27.710 35.665 1.00 0.00 N ATOM 778 CA TRP A 52 15.082 28.581 36.619 1.00 0.00 C ATOM 779 C TRP A 52 15.350 28.119 38.046 1.00 0.00 C ATOM 780 O TRP A 52 15.365 26.921 38.329 1.00 0.00 O ATOM 781 CB TRP A 52 13.578 28.583 36.348 1.00 0.00 C ATOM 782 CG TRP A 52 13.249 28.510 34.888 1.00 0.00 C ATOM 783 CD1 TRP A 52 12.410 27.618 34.281 1.00 0.00 C ATOM 784 CD2 TRP A 52 13.761 29.362 33.843 1.00 0.00 C ATOM 785 NE1 TRP A 52 12.381 27.883 32.940 1.00 0.00 N ATOM 786 CE2 TRP A 52 13.189 28.936 32.638 1.00 0.00 C ATOM 787 CE3 TRP A 52 14.645 30.442 33.811 1.00 0.00 C ATOM 788 CZ2 TRP A 52 13.473 29.551 31.430 1.00 0.00 C ATOM 789 CZ3 TRP A 52 14.934 31.063 32.604 1.00 0.00 C ATOM 790 CH2 TRP A 52 14.351 30.620 31.424 1.00 0.00 C ATOM 0 H TRP A 52 15.353 26.780 35.577 1.00 0.00 H new ATOM 0 HA TRP A 52 15.468 29.593 36.500 1.00 0.00 H new ATOM 0 HB2 TRP A 52 13.120 27.737 36.861 1.00 0.00 H new ATOM 0 HB3 TRP A 52 13.139 29.487 36.770 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.860 26.833 34.779 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.829 27.362 32.258 1.00 0.00 H new ATOM 0 HE3 TRP A 52 15.103 30.794 34.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 13.019 29.204 30.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.618 31.898 32.582 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.585 31.115 30.493 1.00 0.00 H new ATOM 801 N THR A 53 15.558 29.079 38.941 1.00 0.00 N ATOM 802 CA THR A 53 15.822 28.779 40.343 1.00 0.00 C ATOM 803 C THR A 53 14.870 29.564 41.235 1.00 0.00 C ATOM 804 O THR A 53 14.068 30.363 40.750 1.00 0.00 O ATOM 805 CB THR A 53 17.266 29.131 40.690 1.00 0.00 C ATOM 806 OG1 THR A 53 17.819 29.959 39.679 1.00 0.00 O ATOM 807 CG2 THR A 53 18.108 27.869 40.851 1.00 0.00 C ATOM 0 H THR A 53 15.549 30.074 38.719 1.00 0.00 H new ATOM 0 HA THR A 53 15.666 27.713 40.509 1.00 0.00 H new ATOM 0 HB THR A 53 17.271 29.670 41.638 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.745 30.182 39.909 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.133 28.145 41.098 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.694 27.255 41.651 1.00 0.00 H new ATOM 0 HG23 THR A 53 18.099 27.304 39.919 1.00 0.00 H new ATOM 815 N PHE A 54 14.962 29.336 42.541 1.00 0.00 N ATOM 816 CA PHE A 54 14.106 30.027 43.499 1.00 0.00 C ATOM 817 C PHE A 54 14.696 29.937 44.899 1.00 0.00 C ATOM 818 O PHE A 54 14.873 28.846 45.441 1.00 0.00 O ATOM 819 CB PHE A 54 12.708 29.417 43.481 1.00 0.00 C ATOM 820 CG PHE A 54 11.753 30.106 44.422 1.00 0.00 C ATOM 821 CD1 PHE A 54 11.075 31.242 44.012 1.00 0.00 C ATOM 822 CD2 PHE A 54 11.552 29.604 45.698 1.00 0.00 C ATOM 823 CE1 PHE A 54 10.196 31.875 44.875 1.00 0.00 C ATOM 824 CE2 PHE A 54 10.673 30.237 46.561 1.00 0.00 C ATOM 825 CZ PHE A 54 9.995 31.372 46.149 1.00 0.00 C ATOM 0 H PHE A 54 15.620 28.679 42.960 1.00 0.00 H new ATOM 0 HA PHE A 54 14.041 31.078 43.216 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.309 29.465 42.468 1.00 0.00 H new ATOM 0 HB3 PHE A 54 12.774 28.362 43.747 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.232 31.635 43.018 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.081 28.719 46.019 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.668 32.761 44.554 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.516 29.845 47.555 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.309 31.865 46.822 1.00 0.00 H new ATOM 835 N ASP A 55 14.998 31.093 45.480 1.00 0.00 N ATOM 836 CA ASP A 55 15.570 31.153 46.820 1.00 0.00 C ATOM 837 C ASP A 55 14.558 30.673 47.851 1.00 0.00 C ATOM 838 O ASP A 55 13.452 30.258 47.504 1.00 0.00 O ATOM 839 CB ASP A 55 15.998 32.583 47.135 1.00 0.00 C ATOM 840 CG ASP A 55 14.785 33.504 47.163 1.00 0.00 C ATOM 841 OD1 ASP A 55 13.775 33.178 46.505 1.00 0.00 O ATOM 842 OD2 ASP A 55 14.847 34.550 47.843 1.00 0.00 O ATOM 0 H ASP A 55 14.856 32.003 45.043 1.00 0.00 H new ATOM 0 HA ASP A 55 16.442 30.500 46.860 1.00 0.00 H new ATOM 0 HB2 ASP A 55 16.508 32.613 48.098 1.00 0.00 H new ATOM 0 HB3 ASP A 55 16.710 32.930 46.386 1.00 0.00 H new ATOM 847 N SER A 56 14.943 30.732 49.122 1.00 0.00 N ATOM 848 CA SER A 56 14.068 30.305 50.207 1.00 0.00 C ATOM 849 C SER A 56 13.681 28.841 50.034 1.00 0.00 C ATOM 850 O SER A 56 14.079 28.193 49.067 1.00 0.00 O ATOM 851 CB SER A 56 12.815 31.174 50.235 1.00 0.00 C ATOM 852 OG SER A 56 12.348 31.335 51.565 1.00 0.00 O ATOM 0 H SER A 56 15.856 31.072 49.425 1.00 0.00 H new ATOM 0 HA SER A 56 14.602 30.415 51.151 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.033 32.149 49.800 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.036 30.719 49.623 1.00 0.00 H new ATOM 0 HG SER A 56 11.545 31.897 51.564 1.00 0.00 H new ATOM 858 N GLU A 57 12.899 28.328 50.978 1.00 0.00 N ATOM 859 CA GLU A 57 12.452 26.940 50.936 1.00 0.00 C ATOM 860 C GLU A 57 11.689 26.594 52.208 1.00 0.00 C ATOM 861 O GLU A 57 11.970 25.588 52.859 1.00 0.00 O ATOM 862 CB GLU A 57 13.651 26.009 50.774 1.00 0.00 C ATOM 863 CG GLU A 57 14.766 26.362 51.754 1.00 0.00 C ATOM 864 CD GLU A 57 15.684 25.165 51.961 1.00 0.00 C ATOM 865 OE1 GLU A 57 16.058 24.520 50.959 1.00 0.00 O ATOM 866 OE2 GLU A 57 16.027 24.872 53.126 1.00 0.00 O ATOM 0 H GLU A 57 12.561 28.854 51.784 1.00 0.00 H new ATOM 0 HA GLU A 57 11.786 26.811 50.082 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.337 24.978 50.934 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.028 26.073 49.753 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.339 27.208 51.374 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.338 26.670 52.708 1.00 0.00 H new ATOM 873 N GLU A 58 10.721 27.437 52.558 1.00 0.00 N ATOM 874 CA GLU A 58 9.913 27.228 53.756 1.00 0.00 C ATOM 875 C GLU A 58 9.360 25.804 53.785 1.00 0.00 C ATOM 876 O GLU A 58 8.647 25.393 52.870 1.00 0.00 O ATOM 877 CB GLU A 58 8.762 28.230 53.788 1.00 0.00 C ATOM 878 CG GLU A 58 7.876 28.099 52.551 1.00 0.00 C ATOM 879 CD GLU A 58 6.860 29.234 52.508 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.908 29.211 53.316 1.00 0.00 O ATOM 881 OE2 GLU A 58 7.018 30.144 51.667 1.00 0.00 O ATOM 0 H GLU A 58 10.477 28.273 52.027 1.00 0.00 H new ATOM 0 HA GLU A 58 10.544 27.377 54.632 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.163 28.071 54.685 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.161 29.243 53.847 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.491 28.117 51.651 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.359 27.139 52.565 1.00 0.00 H new ATOM 888 N PRO A 59 9.677 25.029 54.840 1.00 0.00 N ATOM 889 CA PRO A 59 9.199 23.645 54.974 1.00 0.00 C ATOM 890 C PRO A 59 7.709 23.582 55.286 1.00 0.00 C ATOM 891 O PRO A 59 7.302 23.045 56.317 1.00 0.00 O ATOM 892 CB PRO A 59 10.018 23.086 56.130 1.00 0.00 C ATOM 893 CG PRO A 59 10.416 24.270 56.939 1.00 0.00 C ATOM 894 CD PRO A 59 10.518 25.428 55.982 1.00 0.00 C ATOM 0 HA PRO A 59 9.321 23.080 54.050 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.433 22.383 56.723 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.892 22.546 55.767 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.680 24.473 57.717 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.368 24.095 57.439 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.161 26.352 56.436 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.550 25.602 55.675 1.00 0.00 H new ATOM 902 N LEU A 60 6.898 24.133 54.389 1.00 0.00 N ATOM 903 CA LEU A 60 5.449 24.140 54.566 1.00 0.00 C ATOM 904 C LEU A 60 4.755 23.302 53.491 1.00 0.00 C ATOM 905 O LEU A 60 3.528 23.211 53.470 1.00 0.00 O ATOM 906 CB LEU A 60 4.930 25.575 54.516 1.00 0.00 C ATOM 907 CG LEU A 60 3.576 25.698 55.210 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.601 26.821 56.244 1.00 0.00 C ATOM 909 CD2 LEU A 60 2.469 25.938 54.187 1.00 0.00 C ATOM 0 H LEU A 60 7.219 24.581 53.531 1.00 0.00 H new ATOM 0 HA LEU A 60 5.223 23.701 55.538 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.648 26.241 54.994 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.840 25.896 53.478 1.00 0.00 H new ATOM 0 HG LEU A 60 3.370 24.761 55.727 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.627 26.892 56.727 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.363 26.608 56.994 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.831 27.765 55.750 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.511 26.023 54.700 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.671 26.860 53.641 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.433 25.103 53.487 1.00 0.00 H new ATOM 921 N GLN A 61 5.535 22.688 52.600 1.00 0.00 N ATOM 922 CA GLN A 61 4.975 21.863 51.534 1.00 0.00 C ATOM 923 C GLN A 61 6.090 21.246 50.700 1.00 0.00 C ATOM 924 O GLN A 61 6.947 21.954 50.172 1.00 0.00 O ATOM 925 CB GLN A 61 4.066 22.706 50.644 1.00 0.00 C ATOM 926 CG GLN A 61 2.597 22.490 50.995 1.00 0.00 C ATOM 927 CD GLN A 61 1.921 21.625 49.938 1.00 0.00 C ATOM 928 OE1 GLN A 61 2.433 21.465 48.830 1.00 0.00 O ATOM 929 NE2 GLN A 61 0.767 21.065 50.281 1.00 0.00 N ATOM 0 H GLN A 61 6.553 22.747 52.597 1.00 0.00 H new ATOM 0 HA GLN A 61 4.390 21.061 51.985 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.318 23.760 50.757 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.235 22.448 49.599 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.516 22.012 51.971 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.088 23.451 51.067 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.379 21.225 51.211 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.268 20.475 49.615 1.00 0.00 H new ATOM 938 N GLY A 62 6.074 19.922 50.588 1.00 0.00 N ATOM 939 CA GLY A 62 7.087 19.206 49.819 1.00 0.00 C ATOM 940 C GLY A 62 6.855 19.381 48.322 1.00 0.00 C ATOM 941 O GLY A 62 7.750 19.813 47.594 1.00 0.00 O ATOM 0 H GLY A 62 5.371 19.322 51.020 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.078 19.574 50.083 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.062 18.147 50.074 1.00 0.00 H new ATOM 945 N PRO A 63 5.646 19.046 47.840 1.00 0.00 N ATOM 946 CA PRO A 63 5.301 19.168 46.416 1.00 0.00 C ATOM 947 C PRO A 63 5.066 20.616 46.002 1.00 0.00 C ATOM 948 O PRO A 63 4.204 21.299 46.555 1.00 0.00 O ATOM 949 CB PRO A 63 4.023 18.351 46.276 1.00 0.00 C ATOM 950 CG PRO A 63 3.403 18.344 47.636 1.00 0.00 C ATOM 951 CD PRO A 63 4.522 18.524 48.636 1.00 0.00 C ATOM 0 HA PRO A 63 6.108 18.816 45.773 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.352 18.795 45.541 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.240 17.338 45.938 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.670 19.146 47.729 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.875 17.407 47.814 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.240 19.218 49.427 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.780 17.581 49.117 1.00 0.00 H new ATOM 959 N PHE A 64 5.837 21.076 45.021 1.00 0.00 N ATOM 960 CA PHE A 64 5.715 22.443 44.524 1.00 0.00 C ATOM 961 C PHE A 64 4.893 22.462 43.243 1.00 0.00 C ATOM 962 O PHE A 64 5.071 21.613 42.371 1.00 0.00 O ATOM 963 CB PHE A 64 7.100 23.028 44.258 1.00 0.00 C ATOM 964 CG PHE A 64 7.968 23.074 45.490 1.00 0.00 C ATOM 965 CD1 PHE A 64 7.870 24.140 46.370 1.00 0.00 C ATOM 966 CD2 PHE A 64 8.867 22.050 45.742 1.00 0.00 C ATOM 967 CE1 PHE A 64 8.670 24.180 47.500 1.00 0.00 C ATOM 968 CE2 PHE A 64 9.666 22.091 46.871 1.00 0.00 C ATOM 969 CZ PHE A 64 9.568 23.156 47.751 1.00 0.00 C ATOM 0 H PHE A 64 6.554 20.521 44.554 1.00 0.00 H new ATOM 0 HA PHE A 64 5.211 23.047 45.279 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.598 22.434 43.492 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.992 24.037 43.859 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.170 24.939 46.175 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.944 21.219 45.056 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.593 25.011 48.186 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.366 21.292 47.066 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.191 23.188 48.632 1.00 0.00 H new ATOM 979 N ASN A 65 3.991 23.431 43.131 1.00 0.00 N ATOM 980 CA ASN A 65 3.143 23.550 41.949 1.00 0.00 C ATOM 981 C ASN A 65 3.708 24.594 40.995 1.00 0.00 C ATOM 982 O ASN A 65 4.093 25.686 41.412 1.00 0.00 O ATOM 983 CB ASN A 65 1.724 23.937 42.356 1.00 0.00 C ATOM 984 CG ASN A 65 1.270 23.110 43.552 1.00 0.00 C ATOM 985 OD1 ASN A 65 0.956 21.927 43.419 1.00 0.00 O ATOM 986 ND2 ASN A 65 1.234 23.734 44.724 1.00 0.00 N ATOM 0 H ASN A 65 3.828 24.144 43.842 1.00 0.00 H new ATOM 0 HA ASN A 65 3.118 22.585 41.443 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.687 24.998 42.604 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.044 23.781 41.519 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.937 23.231 45.560 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.503 24.716 44.788 1.00 0.00 H new ATOM 993 N PHE A 66 3.755 24.252 39.712 1.00 0.00 N ATOM 994 CA PHE A 66 4.274 25.162 38.697 1.00 0.00 C ATOM 995 C PHE A 66 3.202 25.469 37.659 1.00 0.00 C ATOM 996 O PHE A 66 2.114 24.893 37.684 1.00 0.00 O ATOM 997 CB PHE A 66 5.492 24.546 38.016 1.00 0.00 C ATOM 998 CG PHE A 66 6.741 24.629 38.857 1.00 0.00 C ATOM 999 CD1 PHE A 66 6.991 23.669 39.824 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.639 25.666 38.664 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.138 23.746 40.596 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.786 25.742 39.436 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.036 24.782 40.402 1.00 0.00 C ATOM 0 H PHE A 66 3.440 23.352 39.350 1.00 0.00 H new ATOM 0 HA PHE A 66 4.568 26.092 39.183 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.284 23.501 37.787 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.665 25.052 37.066 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.291 22.860 39.976 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.444 26.415 37.911 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.332 22.998 41.350 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.486 26.550 39.285 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.931 24.841 41.004 1.00 0.00 H new ATOM 1013 N ARG A 67 3.519 26.380 36.747 1.00 0.00 N ATOM 1014 CA ARG A 67 2.591 26.772 35.692 1.00 0.00 C ATOM 1015 C ARG A 67 3.285 27.707 34.712 1.00 0.00 C ATOM 1016 O ARG A 67 3.073 28.920 34.740 1.00 0.00 O ATOM 1017 CB ARG A 67 1.371 27.461 36.296 1.00 0.00 C ATOM 1018 CG ARG A 67 1.782 28.539 37.294 1.00 0.00 C ATOM 1019 CD ARG A 67 0.563 29.137 37.991 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.367 29.682 37.007 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.406 30.429 37.364 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -1.966 30.266 38.556 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -1.888 31.339 36.529 1.00 0.00 N ATOM 0 H ARG A 67 4.416 26.864 36.717 1.00 0.00 H new ATOM 0 HA ARG A 67 2.263 25.879 35.160 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.772 27.907 35.502 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.742 26.722 36.793 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.457 28.113 38.037 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.332 29.326 36.778 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.065 28.372 38.587 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.878 29.922 38.678 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.215 29.484 36.018 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.599 29.566 39.201 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.764 30.841 38.828 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.461 31.466 35.611 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.686 31.912 36.804 1.00 0.00 H new ATOM 1037 N PHE A 68 4.123 27.138 33.853 1.00 0.00 N ATOM 1038 CA PHE A 68 4.859 27.922 32.868 1.00 0.00 C ATOM 1039 C PHE A 68 3.906 28.633 31.923 1.00 0.00 C ATOM 1040 O PHE A 68 2.692 28.439 31.977 1.00 0.00 O ATOM 1041 CB PHE A 68 5.793 27.021 32.066 1.00 0.00 C ATOM 1042 CG PHE A 68 5.145 25.725 31.649 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.129 25.729 30.708 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.564 24.528 32.207 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.533 24.539 30.324 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.968 23.338 31.824 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.953 23.344 30.882 1.00 0.00 C ATOM 0 H PHE A 68 4.310 26.136 33.819 1.00 0.00 H new ATOM 0 HA PHE A 68 5.447 28.668 33.402 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.130 27.555 31.178 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.679 26.803 32.662 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.801 26.661 30.273 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.356 24.523 32.941 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.741 24.544 29.590 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.295 22.405 32.260 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.489 22.416 30.583 1.00 0.00 H new ATOM 1057 N LEU A 69 4.475 29.452 31.051 1.00 0.00 N ATOM 1058 CA LEU A 69 3.700 30.201 30.071 1.00 0.00 C ATOM 1059 C LEU A 69 4.342 30.043 28.702 1.00 0.00 C ATOM 1060 O LEU A 69 4.851 31.008 28.137 1.00 0.00 O ATOM 1061 CB LEU A 69 3.646 31.680 30.455 1.00 0.00 C ATOM 1062 CG LEU A 69 3.519 31.865 31.967 1.00 0.00 C ATOM 1063 CD1 LEU A 69 3.709 33.331 32.346 1.00 0.00 C ATOM 1064 CD2 LEU A 69 2.167 31.356 32.459 1.00 0.00 C ATOM 0 H LEU A 69 5.481 29.616 31.002 1.00 0.00 H new ATOM 0 HA LEU A 69 2.681 29.814 30.045 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.547 32.181 30.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.800 32.155 29.958 1.00 0.00 H new ATOM 0 HG LEU A 69 4.302 31.281 32.450 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.615 33.443 33.426 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.699 33.663 32.032 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.949 33.936 31.851 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.096 31.496 33.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.368 31.911 31.967 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.070 30.296 32.224 1.00 0.00 H new ATOM 1076 N THR A 70 4.323 28.803 28.194 1.00 0.00 N ATOM 1077 CA THR A 70 4.913 28.445 26.892 1.00 0.00 C ATOM 1078 C THR A 70 4.947 29.620 25.920 1.00 0.00 C ATOM 1079 O THR A 70 3.971 30.357 25.781 1.00 0.00 O ATOM 1080 CB THR A 70 4.128 27.293 26.273 1.00 0.00 C ATOM 1081 OG1 THR A 70 2.735 27.541 26.379 1.00 0.00 O ATOM 1082 CG2 THR A 70 4.480 25.975 26.955 1.00 0.00 C ATOM 0 H THR A 70 3.895 28.013 28.677 1.00 0.00 H new ATOM 0 HA THR A 70 5.945 28.147 27.076 1.00 0.00 H new ATOM 0 HB THR A 70 4.396 27.218 25.219 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.495 27.662 27.321 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.910 25.166 26.499 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.546 25.778 26.838 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.237 26.038 28.016 1.00 0.00 H new ATOM 1090 N GLU A 71 6.086 29.785 25.255 1.00 0.00 N ATOM 1091 CA GLU A 71 6.271 30.868 24.296 1.00 0.00 C ATOM 1092 C GLU A 71 5.107 30.916 23.312 1.00 0.00 C ATOM 1093 O GLU A 71 4.799 31.968 22.752 1.00 0.00 O ATOM 1094 CB GLU A 71 7.585 30.676 23.543 1.00 0.00 C ATOM 1095 CG GLU A 71 8.770 30.567 24.502 1.00 0.00 C ATOM 1096 CD GLU A 71 10.040 31.071 23.827 1.00 0.00 C ATOM 1097 OE1 GLU A 71 10.316 30.645 22.686 1.00 0.00 O ATOM 1098 OE2 GLU A 71 10.756 31.890 24.441 1.00 0.00 O ATOM 0 H GLU A 71 6.899 29.179 25.364 1.00 0.00 H new ATOM 0 HA GLU A 71 6.304 31.813 24.839 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.527 29.776 22.931 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.742 31.514 22.863 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.573 31.148 25.403 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.901 29.531 24.813 1.00 0.00 H new ATOM 1105 N LYS A 72 4.461 29.772 23.106 1.00 0.00 N ATOM 1106 CA LYS A 72 3.328 29.685 22.190 1.00 0.00 C ATOM 1107 C LYS A 72 2.166 30.527 22.704 1.00 0.00 C ATOM 1108 O LYS A 72 1.486 31.200 21.929 1.00 0.00 O ATOM 1109 CB LYS A 72 2.889 28.231 22.038 1.00 0.00 C ATOM 1110 CG LYS A 72 2.702 27.860 20.570 1.00 0.00 C ATOM 1111 CD LYS A 72 1.556 28.649 19.942 1.00 0.00 C ATOM 1112 CE LYS A 72 1.105 28.017 18.628 1.00 0.00 C ATOM 1113 NZ LYS A 72 2.147 28.161 17.572 1.00 0.00 N ATOM 0 H LYS A 72 4.703 28.892 23.561 1.00 0.00 H new ATOM 0 HA LYS A 72 3.636 30.068 21.217 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.633 27.575 22.489 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.955 28.072 22.577 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.624 28.055 20.023 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.501 26.792 20.485 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.716 28.690 20.636 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.873 29.677 19.764 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.888 26.961 18.786 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.179 28.487 18.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.811 27.722 16.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.336 29.170 17.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.022 27.692 17.881 1.00 0.00 H new ATOM 1127 N GLY A 73 1.945 30.487 24.014 1.00 0.00 N ATOM 1128 CA GLY A 73 0.865 31.248 24.633 1.00 0.00 C ATOM 1129 C GLY A 73 -0.128 30.318 25.319 1.00 0.00 C ATOM 1130 O GLY A 73 -1.330 30.380 25.062 1.00 0.00 O ATOM 0 H GLY A 73 2.500 29.935 24.668 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.277 31.947 25.360 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.352 31.841 23.876 1.00 0.00 H new ATOM 1134 N MET A 74 0.381 29.457 26.194 1.00 0.00 N ATOM 1135 CA MET A 74 -0.462 28.512 26.920 1.00 0.00 C ATOM 1136 C MET A 74 0.070 28.299 28.332 1.00 0.00 C ATOM 1137 O MET A 74 1.280 28.316 28.559 1.00 0.00 O ATOM 1138 CB MET A 74 -0.512 27.180 26.176 1.00 0.00 C ATOM 1139 CG MET A 74 -1.569 27.200 25.075 1.00 0.00 C ATOM 1140 SD MET A 74 -0.924 26.627 23.495 1.00 0.00 S ATOM 1141 CE MET A 74 -2.257 25.545 22.956 1.00 0.00 C ATOM 0 H MET A 74 1.374 29.394 26.418 1.00 0.00 H new ATOM 0 HA MET A 74 -1.469 28.923 26.986 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.465 26.967 25.742 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.731 26.376 26.879 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.410 26.572 25.371 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.953 28.214 24.962 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.005 25.112 21.988 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.395 24.747 23.685 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.179 26.120 22.868 1.00 0.00 H new ATOM 1151 N LYS A 75 -0.843 28.098 29.277 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.470 27.880 30.672 1.00 0.00 C ATOM 1153 C LYS A 75 -1.121 26.608 31.201 1.00 0.00 C ATOM 1154 O LYS A 75 -1.829 25.914 30.472 1.00 0.00 O ATOM 1155 CB LYS A 75 -0.899 29.074 31.520 1.00 0.00 C ATOM 1156 CG LYS A 75 -0.473 30.391 30.880 1.00 0.00 C ATOM 1157 CD LYS A 75 -1.623 31.024 30.103 1.00 0.00 C ATOM 1158 CE LYS A 75 -1.719 32.522 30.378 1.00 0.00 C ATOM 1159 NZ LYS A 75 -2.649 33.189 29.423 1.00 0.00 N ATOM 0 H LYS A 75 -1.848 28.081 29.103 1.00 0.00 H new ATOM 0 HA LYS A 75 0.613 27.771 30.731 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.982 29.062 31.647 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.461 28.992 32.515 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.130 31.079 31.652 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.370 30.217 30.211 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.479 30.856 29.036 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.560 30.541 30.378 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.064 32.685 31.399 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.729 32.972 30.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.693 34.206 29.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.305 33.053 28.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.598 32.774 29.516 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.878 26.308 32.473 1.00 0.00 N ATOM 1174 CA ASN A 76 -1.442 25.118 33.101 1.00 0.00 C ATOM 1175 C ASN A 76 -0.891 24.946 34.511 1.00 0.00 C ATOM 1176 O ASN A 76 0.127 25.540 34.867 1.00 0.00 O ATOM 1177 CB ASN A 76 -1.119 23.883 32.264 1.00 0.00 C ATOM 1178 CG ASN A 76 -2.402 23.175 31.850 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -3.475 23.779 31.822 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -2.294 21.892 31.528 1.00 0.00 N ATOM 0 H ASN A 76 -0.294 26.873 33.090 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.524 25.238 33.161 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.554 24.173 31.378 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.488 23.202 32.836 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.120 21.366 31.243 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.385 21.432 31.565 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.568 24.127 35.310 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.148 23.870 36.684 1.00 0.00 C ATOM 1189 C VAL A 77 -0.563 22.469 36.803 1.00 0.00 C ATOM 1190 O VAL A 77 -0.803 21.613 35.951 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.336 24.021 37.629 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.919 23.729 39.067 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.933 25.421 37.519 1.00 0.00 C ATOM 0 H VAL A 77 -2.412 23.628 35.029 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.381 24.595 36.958 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.098 23.298 37.339 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.780 23.842 39.726 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.541 22.709 39.136 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.138 24.427 39.368 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.779 25.510 38.200 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.177 26.161 37.781 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.270 25.593 36.497 1.00 0.00 H new ATOM 1203 N PHE A 78 0.205 22.239 37.862 1.00 0.00 N ATOM 1204 CA PHE A 78 0.826 20.939 38.090 1.00 0.00 C ATOM 1205 C PHE A 78 1.022 20.695 39.580 1.00 0.00 C ATOM 1206 O PHE A 78 1.552 21.545 40.295 1.00 0.00 O ATOM 1207 CB PHE A 78 2.169 20.871 37.367 1.00 0.00 C ATOM 1208 CG PHE A 78 2.046 21.131 35.887 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.065 22.430 35.407 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.910 20.071 35.007 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.948 22.669 34.048 1.00 0.00 C ATOM 1212 CE2 PHE A 78 1.793 20.309 33.648 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.812 21.608 33.168 1.00 0.00 C ATOM 0 H PHE A 78 0.413 22.936 38.577 1.00 0.00 H new ATOM 0 HA PHE A 78 0.168 20.164 37.696 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.850 21.601 37.805 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.612 19.887 37.524 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.171 23.257 36.093 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.895 19.058 35.381 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.963 23.682 33.674 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.687 19.482 32.962 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.721 21.794 32.108 1.00 0.00 H new ATOM 1223 N ASP A 79 0.589 19.526 40.043 1.00 0.00 N ATOM 1224 CA ASP A 79 0.713 19.164 41.451 1.00 0.00 C ATOM 1225 C ASP A 79 1.655 17.978 41.611 1.00 0.00 C ATOM 1226 O ASP A 79 1.909 17.242 40.658 1.00 0.00 O ATOM 1227 CB ASP A 79 -0.659 18.818 42.021 1.00 0.00 C ATOM 1228 CG ASP A 79 -0.607 18.795 43.543 1.00 0.00 C ATOM 1229 OD1 ASP A 79 0.061 19.672 44.130 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -1.234 17.899 44.146 1.00 0.00 O ATOM 0 H ASP A 79 0.148 18.812 39.462 1.00 0.00 H new ATOM 0 HA ASP A 79 1.123 20.014 41.997 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.395 19.549 41.686 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.982 17.847 41.646 1.00 0.00 H new ATOM 1235 N ASP A 80 2.169 17.797 42.823 1.00 0.00 N ATOM 1236 CA ASP A 80 3.084 16.697 43.110 1.00 0.00 C ATOM 1237 C ASP A 80 4.234 16.690 42.111 1.00 0.00 C ATOM 1238 O ASP A 80 4.487 15.685 41.447 1.00 0.00 O ATOM 1239 CB ASP A 80 2.336 15.368 43.052 1.00 0.00 C ATOM 1240 CG ASP A 80 1.057 15.446 43.876 1.00 0.00 C ATOM 1241 OD1 ASP A 80 0.040 15.943 43.349 1.00 0.00 O ATOM 1242 OD2 ASP A 80 1.075 15.009 45.045 1.00 0.00 O ATOM 0 H ASP A 80 1.968 18.398 43.623 1.00 0.00 H new ATOM 0 HA ASP A 80 3.491 16.834 44.112 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.096 15.123 42.017 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.972 14.568 43.430 1.00 0.00 H new ATOM 1247 N VAL A 81 4.929 17.819 42.008 1.00 0.00 N ATOM 1248 CA VAL A 81 6.056 17.945 41.089 1.00 0.00 C ATOM 1249 C VAL A 81 7.389 17.832 41.835 1.00 0.00 C ATOM 1250 O VAL A 81 8.455 17.944 41.228 1.00 0.00 O ATOM 1251 CB VAL A 81 5.965 19.282 40.349 1.00 0.00 C ATOM 1252 CG1 VAL A 81 7.199 19.523 39.483 1.00 0.00 C ATOM 1253 CG2 VAL A 81 4.704 19.326 39.490 1.00 0.00 C ATOM 0 H VAL A 81 4.732 18.660 42.550 1.00 0.00 H new ATOM 0 HA VAL A 81 6.012 17.131 40.366 1.00 0.00 H new ATOM 0 HB VAL A 81 5.917 20.075 41.096 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.103 20.481 38.971 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.089 19.536 40.113 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.288 18.725 38.746 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.652 20.282 38.969 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.732 18.517 38.761 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.826 19.211 40.126 1.00 0.00 H new ATOM 1263 N VAL A 82 7.335 17.600 43.146 1.00 0.00 N ATOM 1264 CA VAL A 82 8.547 17.466 43.946 1.00 0.00 C ATOM 1265 C VAL A 82 8.260 16.656 45.207 1.00 0.00 C ATOM 1266 O VAL A 82 7.293 16.926 45.919 1.00 0.00 O ATOM 1267 CB VAL A 82 9.080 18.848 44.322 1.00 0.00 C ATOM 1268 CG1 VAL A 82 10.311 18.727 45.220 1.00 0.00 C ATOM 1269 CG2 VAL A 82 9.413 19.652 43.069 1.00 0.00 C ATOM 0 H VAL A 82 6.467 17.502 43.673 1.00 0.00 H new ATOM 0 HA VAL A 82 9.300 16.943 43.357 1.00 0.00 H new ATOM 0 HB VAL A 82 8.302 19.374 44.875 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.674 19.722 45.476 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.045 18.192 46.132 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.093 18.180 44.694 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.791 20.633 43.356 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.172 19.126 42.490 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.514 19.772 42.464 1.00 0.00 H new ATOM 1279 N PRO A 83 9.102 15.650 45.506 1.00 0.00 N ATOM 1280 CA PRO A 83 8.931 14.802 46.699 1.00 0.00 C ATOM 1281 C PRO A 83 9.246 15.559 47.983 1.00 0.00 C ATOM 1282 O PRO A 83 9.448 16.773 47.966 1.00 0.00 O ATOM 1283 CB PRO A 83 9.930 13.672 46.491 1.00 0.00 C ATOM 1284 CG PRO A 83 10.977 14.240 45.593 1.00 0.00 C ATOM 1285 CD PRO A 83 10.286 15.256 44.721 1.00 0.00 C ATOM 0 HA PRO A 83 7.903 14.455 46.808 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.358 13.345 47.438 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.453 12.802 46.040 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.775 14.704 46.172 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.436 13.458 44.988 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.931 16.110 44.515 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.003 14.830 43.758 1.00 0.00 H new ATOM 1293 N GLU A 84 9.297 14.832 49.093 1.00 0.00 N ATOM 1294 CA GLU A 84 9.602 15.434 50.385 1.00 0.00 C ATOM 1295 C GLU A 84 11.085 15.774 50.461 1.00 0.00 C ATOM 1296 O GLU A 84 11.486 16.701 51.166 1.00 0.00 O ATOM 1297 CB GLU A 84 9.228 14.474 51.511 1.00 0.00 C ATOM 1298 CG GLU A 84 10.036 13.182 51.427 1.00 0.00 C ATOM 1299 CD GLU A 84 9.587 12.209 52.509 1.00 0.00 C ATOM 1300 OE1 GLU A 84 8.373 11.928 52.590 1.00 0.00 O ATOM 1301 OE2 GLU A 84 10.450 11.730 53.274 1.00 0.00 O ATOM 0 H GLU A 84 9.131 13.826 49.124 1.00 0.00 H new ATOM 0 HA GLU A 84 9.021 16.350 50.495 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.403 14.953 52.474 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.164 14.244 51.458 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.909 12.728 50.444 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.098 13.400 51.542 1.00 0.00 H new ATOM 1308 N LYS A 85 11.895 15.019 49.724 1.00 0.00 N ATOM 1309 CA LYS A 85 13.337 15.234 49.696 1.00 0.00 C ATOM 1310 C LYS A 85 13.859 15.096 48.272 1.00 0.00 C ATOM 1311 O LYS A 85 14.434 14.071 47.907 1.00 0.00 O ATOM 1312 CB LYS A 85 14.033 14.225 50.605 1.00 0.00 C ATOM 1313 CG LYS A 85 15.303 14.813 51.212 1.00 0.00 C ATOM 1314 CD LYS A 85 15.039 15.375 52.605 1.00 0.00 C ATOM 1315 CE LYS A 85 16.293 15.315 53.472 1.00 0.00 C ATOM 1316 NZ LYS A 85 15.949 15.257 54.921 1.00 0.00 N ATOM 0 H LYS A 85 11.574 14.250 49.136 1.00 0.00 H new ATOM 0 HA LYS A 85 13.550 16.241 50.055 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.354 13.920 51.401 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.280 13.329 50.036 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.073 14.043 51.267 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.687 15.602 50.565 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.698 16.407 52.525 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.237 14.811 53.081 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.883 14.440 53.201 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.913 16.190 53.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.823 15.217 55.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.407 16.105 55.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.377 14.409 55.108 1.00 0.00 H new ATOM 1330 N TYR A 86 13.650 16.134 47.468 1.00 0.00 N ATOM 1331 CA TYR A 86 14.095 16.131 46.078 1.00 0.00 C ATOM 1332 C TYR A 86 15.587 15.838 45.994 1.00 0.00 C ATOM 1333 O TYR A 86 16.380 16.367 46.773 1.00 0.00 O ATOM 1334 CB TYR A 86 13.797 17.480 45.432 1.00 0.00 C ATOM 1335 CG TYR A 86 14.588 18.609 46.043 1.00 0.00 C ATOM 1336 CD1 TYR A 86 14.106 19.266 47.162 1.00 0.00 C ATOM 1337 CD2 TYR A 86 15.798 18.991 45.487 1.00 0.00 C ATOM 1338 CE1 TYR A 86 14.833 20.303 47.724 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.522 20.028 46.049 1.00 0.00 C ATOM 1340 CZ TYR A 86 16.036 20.679 47.165 1.00 0.00 C ATOM 1341 OH TYR A 86 16.757 21.709 47.723 1.00 0.00 O ATOM 0 H TYR A 86 13.175 16.989 47.756 1.00 0.00 H new ATOM 0 HA TYR A 86 13.555 15.349 45.544 1.00 0.00 H new ATOM 0 HB2 TYR A 86 14.017 17.424 44.366 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.733 17.696 45.527 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.163 18.970 47.597 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.177 18.479 44.614 1.00 0.00 H new ATOM 0 HE1 TYR A 86 14.458 20.815 48.598 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.465 20.327 45.615 1.00 0.00 H new ATOM 0 HH TYR A 86 17.581 21.847 47.210 1.00 0.00 H new ATOM 1351 N THR A 87 15.963 14.994 45.038 1.00 0.00 N ATOM 1352 CA THR A 87 17.361 14.630 44.841 1.00 0.00 C ATOM 1353 C THR A 87 17.839 15.106 43.475 1.00 0.00 C ATOM 1354 O THR A 87 17.465 14.545 42.445 1.00 0.00 O ATOM 1355 CB THR A 87 17.528 13.116 44.954 1.00 0.00 C ATOM 1356 OG1 THR A 87 16.779 12.627 46.056 1.00 0.00 O ATOM 1357 CG2 THR A 87 18.999 12.743 45.114 1.00 0.00 C ATOM 0 H THR A 87 15.317 14.549 44.386 1.00 0.00 H new ATOM 0 HA THR A 87 17.962 15.111 45.612 1.00 0.00 H new ATOM 0 HB THR A 87 17.157 12.659 44.037 1.00 0.00 H new ATOM 0 HG1 THR A 87 16.889 11.655 46.121 1.00 0.00 H new ATOM 0 HG21 THR A 87 19.093 11.660 45.193 1.00 0.00 H new ATOM 0 HG22 THR A 87 19.560 13.094 44.248 1.00 0.00 H new ATOM 0 HG23 THR A 87 19.396 13.208 46.016 1.00 0.00 H new ATOM 1365 N ILE A 88 18.668 16.147 43.472 1.00 0.00 N ATOM 1366 CA ILE A 88 19.201 16.708 42.232 1.00 0.00 C ATOM 1367 C ILE A 88 19.736 15.601 41.329 1.00 0.00 C ATOM 1368 O ILE A 88 20.774 15.001 41.612 1.00 0.00 O ATOM 1369 CB ILE A 88 20.307 17.711 42.555 1.00 0.00 C ATOM 1370 CG1 ILE A 88 19.746 18.871 43.374 1.00 0.00 C ATOM 1371 CG2 ILE A 88 20.964 18.234 41.280 1.00 0.00 C ATOM 1372 CD1 ILE A 88 20.308 18.869 44.793 1.00 0.00 C ATOM 0 H ILE A 88 18.986 16.621 44.317 1.00 0.00 H new ATOM 0 HA ILE A 88 18.398 17.220 41.703 1.00 0.00 H new ATOM 0 HB ILE A 88 21.068 17.198 43.142 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.988 19.815 42.886 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.659 18.801 43.411 1.00 0.00 H new ATOM 0 HG21 ILE A 88 21.747 18.946 41.540 1.00 0.00 H new ATOM 0 HG22 ILE A 88 21.399 17.402 40.727 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.215 18.728 40.661 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.890 19.707 45.351 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.043 17.935 45.288 1.00 0.00 H new ATOM 0 HD13 ILE A 88 21.393 18.964 44.755 1.00 0.00 H new ATOM 1384 N GLY A 89 19.018 15.335 40.242 1.00 0.00 N ATOM 1385 CA GLY A 89 19.412 14.299 39.293 1.00 0.00 C ATOM 1386 C GLY A 89 18.271 13.315 39.070 1.00 0.00 C ATOM 1387 O GLY A 89 18.481 12.102 39.035 1.00 0.00 O ATOM 0 H GLY A 89 18.158 15.824 39.996 1.00 0.00 H new ATOM 0 HA2 GLY A 89 19.696 14.756 38.345 1.00 0.00 H new ATOM 0 HA3 GLY A 89 20.288 13.770 39.667 1.00 0.00 H new ATOM 1391 N ALA A 90 17.061 13.845 38.921 1.00 0.00 N ATOM 1392 CA ALA A 90 15.881 13.016 38.702 1.00 0.00 C ATOM 1393 C ALA A 90 14.814 13.800 37.950 1.00 0.00 C ATOM 1394 O ALA A 90 15.035 14.944 37.553 1.00 0.00 O ATOM 1395 CB ALA A 90 15.328 12.537 40.041 1.00 0.00 C ATOM 0 H ALA A 90 16.872 14.847 38.948 1.00 0.00 H new ATOM 0 HA ALA A 90 16.167 12.152 38.102 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.447 11.918 39.870 1.00 0.00 H new ATOM 0 HB2 ALA A 90 16.087 11.952 40.560 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.054 13.398 40.651 1.00 0.00 H new ATOM 1401 N THR A 91 13.656 13.178 37.754 1.00 0.00 N ATOM 1402 CA THR A 91 12.552 13.818 37.044 1.00 0.00 C ATOM 1403 C THR A 91 11.261 13.708 37.846 1.00 0.00 C ATOM 1404 O THR A 91 10.641 12.646 37.899 1.00 0.00 O ATOM 1405 CB THR A 91 12.368 13.165 35.677 1.00 0.00 C ATOM 1406 OG1 THR A 91 13.570 13.258 34.929 1.00 0.00 O ATOM 1407 CG2 THR A 91 11.223 13.823 34.913 1.00 0.00 C ATOM 0 H THR A 91 13.457 12.231 38.077 1.00 0.00 H new ATOM 0 HA THR A 91 12.790 14.874 36.913 1.00 0.00 H new ATOM 0 HB THR A 91 12.121 12.114 35.827 1.00 0.00 H new ATOM 0 HG1 THR A 91 13.444 12.835 34.054 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.110 13.342 33.942 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.298 13.717 35.481 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.442 14.881 34.770 1.00 0.00 H new ATOM 1415 N TYR A 92 10.858 14.812 38.468 1.00 0.00 N ATOM 1416 CA TYR A 92 9.640 14.843 39.266 1.00 0.00 C ATOM 1417 C TYR A 92 8.547 15.618 38.540 1.00 0.00 C ATOM 1418 O TYR A 92 8.810 16.651 37.925 1.00 0.00 O ATOM 1419 CB TYR A 92 9.921 15.499 40.610 1.00 0.00 C ATOM 1420 CG TYR A 92 11.206 15.030 41.244 1.00 0.00 C ATOM 1421 CD1 TYR A 92 11.354 13.704 41.612 1.00 0.00 C ATOM 1422 CD2 TYR A 92 12.239 15.926 41.463 1.00 0.00 C ATOM 1423 CE1 TYR A 92 12.533 13.275 42.198 1.00 0.00 C ATOM 1424 CE2 TYR A 92 13.417 15.495 42.050 1.00 0.00 C ATOM 1425 CZ TYR A 92 13.558 14.172 42.414 1.00 0.00 C ATOM 1426 OH TYR A 92 14.729 13.745 42.997 1.00 0.00 O ATOM 0 H TYR A 92 11.360 15.699 38.433 1.00 0.00 H new ATOM 0 HA TYR A 92 9.301 13.819 39.423 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.963 16.580 40.477 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.093 15.293 41.288 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.550 13.004 41.442 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.126 16.961 41.176 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.650 12.240 42.485 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.223 16.193 42.222 1.00 0.00 H new ATOM 0 HH TYR A 92 15.488 14.209 42.585 1.00 0.00 H new ATOM 1436 N ALA A 93 7.319 15.117 38.628 1.00 0.00 N ATOM 1437 CA ALA A 93 6.172 15.760 37.989 1.00 0.00 C ATOM 1438 C ALA A 93 4.941 14.866 38.084 1.00 0.00 C ATOM 1439 O ALA A 93 5.032 13.711 38.499 1.00 0.00 O ATOM 1440 CB ALA A 93 6.474 16.061 36.525 1.00 0.00 C ATOM 0 H ALA A 93 7.090 14.264 39.138 1.00 0.00 H new ATOM 0 HA ALA A 93 5.974 16.697 38.510 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.609 16.539 36.066 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.334 16.728 36.460 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.695 15.131 36.001 1.00 0.00 H new ATOM 1446 N PRO A 94 3.768 15.394 37.693 1.00 0.00 N ATOM 1447 CA PRO A 94 2.507 14.638 37.730 1.00 0.00 C ATOM 1448 C PRO A 94 2.433 13.597 36.619 1.00 0.00 C ATOM 1449 O PRO A 94 1.336 13.406 36.054 1.00 0.00 O ATOM 1450 CB PRO A 94 1.434 15.702 37.543 1.00 0.00 C ATOM 1451 CG PRO A 94 2.108 16.823 36.822 1.00 0.00 C ATOM 1452 CD PRO A 94 3.574 16.762 37.181 1.00 0.00 C ATOM 0 HA PRO A 94 2.397 14.077 38.658 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.593 15.315 36.968 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.038 16.034 38.503 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.971 16.727 35.745 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.679 17.782 37.113 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.204 16.955 36.313 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.831 17.508 37.933 1.00 0.00 H new TER 1460 PRO A 94