USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=17 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 87 THR OG1 : rot 74:sc= 0.753 USER MOD Set 1.2: A 92 TYR OH : rot 30:sc= 0.783 USER MOD Set 2.1: A 7 THR OG1 : rot -50:sc= 0.0607! USER MOD Set 2.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 56 SER OG : rot 32:sc= 0.701 USER MOD Set 3.2: A 61 GLN : amide:sc= -0.54 K(o=0.16,f=0.88) USER MOD Set 4.1: A 13 ASN : amide:sc= -1.01 K(o=-1.3,f=-5.1!) USER MOD Set 4.2: A 16 HIS : no HD1:sc= -0.246 K(o=-1.3,f=-2.3) USER MOD Single : A 1 VAL N :NH3+ 169:sc= -0.283 (180deg=-0.597) 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 80:sc= -0.187 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 23 TYR OH : rot -13:sc= 0.138 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 159:sc= -0.762 (180deg=-1.4) USER MOD Single : A 36 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.34) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -146:sc= -1.93 (180deg=-5.21!) USER MOD Single : A 45 THR OG1 : rot -16:sc= 0.571 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 33:sc= 0.102 USER MOD Single : A 65 ASN : amide:sc= 0.435! C(o=0.44!,f=-5!) USER MOD Single : A 70 THR OG1 : rot 70:sc= -0.0427 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=-0.00981 X(o=-0.0098,f=0) 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 ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.341 14.919 30.175 1.00 0.00 N ATOM 2 CA VAL A 1 -2.217 14.717 29.218 1.00 0.00 C ATOM 3 C VAL A 1 -1.234 15.878 29.307 1.00 0.00 C ATOM 4 O VAL A 1 -1.385 16.884 28.613 1.00 0.00 O ATOM 5 CB VAL A 1 -2.735 14.596 27.787 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.395 13.238 27.569 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.714 15.725 27.476 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.093 14.228 29.978 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.997 14.788 31.148 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.719 15.882 30.068 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.709 13.791 29.486 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.888 14.678 27.106 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.758 13.170 26.543 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.667 12.447 27.749 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.232 13.125 28.258 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.073 15.623 26.452 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.558 15.674 28.164 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.210 16.685 27.590 1.00 0.00 H new ATOM 19 N PRO A 2 -0.208 15.755 30.168 1.00 0.00 N ATOM 20 CA PRO A 2 0.805 16.802 30.346 1.00 0.00 C ATOM 21 C PRO A 2 1.833 16.800 29.220 1.00 0.00 C ATOM 22 O PRO A 2 2.269 15.743 28.766 1.00 0.00 O ATOM 23 CB PRO A 2 1.463 16.455 31.673 1.00 0.00 C ATOM 24 CG PRO A 2 1.254 14.985 31.856 1.00 0.00 C ATOM 25 CD PRO A 2 0.047 14.591 31.035 1.00 0.00 C ATOM 0 HA PRO A 2 0.365 17.799 30.333 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.525 16.701 31.660 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.015 17.019 32.491 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.135 14.430 31.534 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.096 14.748 32.908 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.243 13.694 30.447 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.811 14.374 31.671 1.00 0.00 H new ATOM 33 N LYS A 3 2.218 17.992 28.775 1.00 0.00 N ATOM 34 CA LYS A 3 3.197 18.131 27.703 1.00 0.00 C ATOM 35 C LYS A 3 4.309 19.083 28.124 1.00 0.00 C ATOM 36 O LYS A 3 4.583 20.073 27.446 1.00 0.00 O ATOM 37 CB LYS A 3 2.517 18.651 26.440 1.00 0.00 C ATOM 38 CG LYS A 3 1.326 17.778 26.053 1.00 0.00 C ATOM 39 CD LYS A 3 0.627 18.318 24.809 1.00 0.00 C ATOM 40 CE LYS A 3 -0.011 19.678 25.078 1.00 0.00 C ATOM 41 NZ LYS A 3 -1.482 19.643 24.841 1.00 0.00 N ATOM 0 H LYS A 3 1.866 18.877 29.141 1.00 0.00 H new ATOM 0 HA LYS A 3 3.632 17.153 27.497 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.183 19.676 26.600 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.235 18.674 25.621 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.664 16.758 25.870 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.619 17.735 26.881 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.346 18.406 23.995 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.138 17.613 24.484 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.187 19.977 26.107 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.445 20.430 24.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.887 20.582 25.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.668 19.381 23.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.919 18.942 25.473 1.00 0.00 H new ATOM 55 N VAL A 4 4.945 18.779 29.251 1.00 0.00 N ATOM 56 CA VAL A 4 6.028 19.609 29.770 1.00 0.00 C ATOM 57 C VAL A 4 7.027 18.753 30.532 1.00 0.00 C ATOM 58 O VAL A 4 6.743 17.614 30.900 1.00 0.00 O ATOM 59 CB VAL A 4 5.452 20.705 30.676 1.00 0.00 C ATOM 60 CG1 VAL A 4 4.396 20.124 31.611 1.00 0.00 C ATOM 61 CG2 VAL A 4 6.539 21.420 31.480 1.00 0.00 C ATOM 0 H VAL A 4 4.729 17.963 29.824 1.00 0.00 H new ATOM 0 HA VAL A 4 6.549 20.081 28.937 1.00 0.00 H new ATOM 0 HB VAL A 4 4.986 21.447 30.028 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.998 20.915 32.247 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.588 19.690 31.022 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.847 19.351 32.233 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.083 22.187 32.106 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.059 20.699 32.110 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.250 21.885 30.797 1.00 0.00 H new ATOM 71 N THR A 5 8.199 19.322 30.766 1.00 0.00 N ATOM 72 CA THR A 5 9.259 18.631 31.489 1.00 0.00 C ATOM 73 C THR A 5 10.227 19.633 32.103 1.00 0.00 C ATOM 74 O THR A 5 10.667 20.572 31.441 1.00 0.00 O ATOM 75 CB THR A 5 10.014 17.700 30.546 1.00 0.00 C ATOM 76 OG1 THR A 5 9.921 18.179 29.213 1.00 0.00 O ATOM 77 CG2 THR A 5 9.465 16.280 30.632 1.00 0.00 C ATOM 0 H THR A 5 8.443 20.266 30.465 1.00 0.00 H new ATOM 0 HA THR A 5 8.806 18.045 32.288 1.00 0.00 H new ATOM 0 HB THR A 5 11.062 17.681 30.847 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.410 17.577 28.614 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.019 15.634 29.951 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.572 15.909 31.651 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.411 16.280 30.355 1.00 0.00 H new ATOM 85 N PHE A 6 10.561 19.421 33.371 1.00 0.00 N ATOM 86 CA PHE A 6 11.487 20.299 34.077 1.00 0.00 C ATOM 87 C PHE A 6 12.801 19.573 34.326 1.00 0.00 C ATOM 88 O PHE A 6 12.955 18.408 33.957 1.00 0.00 O ATOM 89 CB PHE A 6 10.878 20.747 35.403 1.00 0.00 C ATOM 90 CG PHE A 6 9.484 21.301 35.250 1.00 0.00 C ATOM 91 CD1 PHE A 6 8.429 20.449 34.964 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.255 22.661 35.396 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.147 20.955 34.824 1.00 0.00 C ATOM 94 CE2 PHE A 6 7.973 23.166 35.256 1.00 0.00 C ATOM 95 CZ PHE A 6 6.919 22.313 34.971 1.00 0.00 C ATOM 0 H PHE A 6 10.204 18.648 33.932 1.00 0.00 H new ATOM 0 HA PHE A 6 11.678 21.179 33.463 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.854 19.901 36.090 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.518 21.506 35.853 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.606 19.390 34.850 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.076 23.326 35.619 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.326 20.291 34.600 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.795 24.225 35.369 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.919 22.707 34.863 1.00 0.00 H new ATOM 105 N THR A 7 13.748 20.261 34.951 1.00 0.00 N ATOM 106 CA THR A 7 15.049 19.672 35.244 1.00 0.00 C ATOM 107 C THR A 7 15.806 20.533 36.244 1.00 0.00 C ATOM 108 O THR A 7 15.954 21.739 36.053 1.00 0.00 O ATOM 109 CB THR A 7 15.864 19.531 33.960 1.00 0.00 C ATOM 110 OG1 THR A 7 15.011 19.211 32.872 1.00 0.00 O ATOM 111 CG2 THR A 7 16.937 18.457 34.116 1.00 0.00 C ATOM 0 H THR A 7 13.640 21.226 35.264 1.00 0.00 H new ATOM 0 HA THR A 7 14.893 18.684 35.677 1.00 0.00 H new ATOM 0 HB THR A 7 16.355 20.483 33.760 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.433 18.460 33.120 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.505 18.373 33.190 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.608 18.729 34.930 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.465 17.500 34.339 1.00 0.00 H new ATOM 119 N VAL A 8 16.285 19.904 37.310 1.00 0.00 N ATOM 120 CA VAL A 8 17.031 20.610 38.344 1.00 0.00 C ATOM 121 C VAL A 8 18.391 21.038 37.811 1.00 0.00 C ATOM 122 O VAL A 8 19.380 20.319 37.951 1.00 0.00 O ATOM 123 CB VAL A 8 17.202 19.710 39.562 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.844 20.481 40.712 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.855 19.134 39.986 1.00 0.00 C ATOM 0 H VAL A 8 16.170 18.905 37.481 1.00 0.00 H new ATOM 0 HA VAL A 8 16.476 21.502 38.637 1.00 0.00 H new ATOM 0 HB VAL A 8 17.862 18.885 39.295 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.958 19.822 41.573 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.823 20.847 40.403 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.210 21.325 40.983 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.991 18.493 40.857 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.174 19.947 40.237 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.435 18.549 39.167 1.00 0.00 H new ATOM 135 N GLU A 9 18.433 22.213 37.194 1.00 0.00 N ATOM 136 CA GLU A 9 19.672 22.739 36.632 1.00 0.00 C ATOM 137 C GLU A 9 20.736 22.863 37.714 1.00 0.00 C ATOM 138 O GLU A 9 20.437 22.785 38.906 1.00 0.00 O ATOM 139 CB GLU A 9 19.413 24.100 35.992 1.00 0.00 C ATOM 140 CG GLU A 9 18.843 23.946 34.585 1.00 0.00 C ATOM 141 CD GLU A 9 19.842 24.454 33.554 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.558 25.434 33.852 1.00 0.00 O ATOM 143 OE2 GLU A 9 19.908 23.872 32.451 1.00 0.00 O ATOM 0 H GLU A 9 17.623 22.820 37.070 1.00 0.00 H new ATOM 0 HA GLU A 9 20.033 22.049 35.870 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.718 24.669 36.609 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.342 24.669 35.951 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.611 22.899 34.392 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.909 24.501 34.501 1.00 0.00 H new ATOM 150 N LYS A 10 21.981 23.054 37.292 1.00 0.00 N ATOM 151 CA LYS A 10 23.098 23.186 38.222 1.00 0.00 C ATOM 152 C LYS A 10 22.829 24.291 39.240 1.00 0.00 C ATOM 153 O LYS A 10 23.422 24.308 40.318 1.00 0.00 O ATOM 154 CB LYS A 10 24.381 23.488 37.453 1.00 0.00 C ATOM 155 CG LYS A 10 25.207 22.223 37.236 1.00 0.00 C ATOM 156 CD LYS A 10 24.694 21.426 36.039 1.00 0.00 C ATOM 157 CE LYS A 10 25.290 21.944 34.732 1.00 0.00 C ATOM 158 NZ LYS A 10 25.087 20.972 33.621 1.00 0.00 N ATOM 0 H LYS A 10 22.243 23.121 36.309 1.00 0.00 H new ATOM 0 HA LYS A 10 23.212 22.244 38.759 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.134 23.934 36.489 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.972 24.222 38.001 1.00 0.00 H new ATOM 0 HG2 LYS A 10 26.252 22.491 37.077 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.170 21.603 38.132 1.00 0.00 H new ATOM 0 HD2 LYS A 10 24.947 20.373 36.165 1.00 0.00 H new ATOM 0 HD3 LYS A 10 23.607 21.489 35.996 1.00 0.00 H new ATOM 0 HE2 LYS A 10 24.829 22.897 34.473 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.356 22.130 34.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.503 21.352 32.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.548 20.071 33.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 24.069 20.814 33.480 1.00 0.00 H new ATOM 172 N GLY A 11 21.934 25.216 38.894 1.00 0.00 N ATOM 173 CA GLY A 11 21.590 26.328 39.780 1.00 0.00 C ATOM 174 C GLY A 11 21.373 25.848 41.212 1.00 0.00 C ATOM 175 O GLY A 11 21.743 26.531 42.167 1.00 0.00 O ATOM 0 H GLY A 11 21.433 25.217 38.005 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.387 27.072 39.760 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.687 26.819 39.418 1.00 0.00 H new ATOM 179 N SER A 12 20.773 24.670 41.355 1.00 0.00 N ATOM 180 CA SER A 12 20.509 24.101 42.673 1.00 0.00 C ATOM 181 C SER A 12 21.816 23.715 43.355 1.00 0.00 C ATOM 182 O SER A 12 22.615 22.960 42.803 1.00 0.00 O ATOM 183 CB SER A 12 19.608 22.876 42.542 1.00 0.00 C ATOM 184 OG SER A 12 18.476 23.174 41.740 1.00 0.00 O ATOM 0 H SER A 12 20.461 24.091 40.575 1.00 0.00 H new ATOM 0 HA SER A 12 20.004 24.851 43.282 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.167 22.052 42.100 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.285 22.548 43.530 1.00 0.00 H new ATOM 0 HG SER A 12 18.727 23.137 40.793 1.00 0.00 H new ATOM 190 N ASN A 13 22.027 24.238 44.559 1.00 0.00 N ATOM 191 CA ASN A 13 23.240 23.950 45.319 1.00 0.00 C ATOM 192 C ASN A 13 22.897 23.614 46.765 1.00 0.00 C ATOM 193 O ASN A 13 23.314 22.580 47.286 1.00 0.00 O ATOM 194 CB ASN A 13 24.187 25.148 45.274 1.00 0.00 C ATOM 195 CG ASN A 13 23.416 26.445 45.480 1.00 0.00 C ATOM 196 OD1 ASN A 13 23.096 26.818 46.610 1.00 0.00 O ATOM 197 ND2 ASN A 13 23.114 27.135 44.386 1.00 0.00 N ATOM 0 H ASN A 13 21.374 24.864 45.030 1.00 0.00 H new ATOM 0 HA ASN A 13 23.733 23.089 44.868 1.00 0.00 H new ATOM 0 HB2 ASN A 13 24.950 25.045 46.046 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.705 25.174 44.315 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.597 28.011 44.462 1.00 0.00 H new ATOM 0 HD22 ASN A 13 23.399 26.789 43.470 1.00 0.00 H new ATOM 204 N GLU A 14 22.137 24.493 47.411 1.00 0.00 N ATOM 205 CA GLU A 14 21.743 24.286 48.800 1.00 0.00 C ATOM 206 C GLU A 14 20.355 24.859 49.056 1.00 0.00 C ATOM 207 O GLU A 14 19.374 24.120 49.144 1.00 0.00 O ATOM 208 CB GLU A 14 22.756 24.947 49.730 1.00 0.00 C ATOM 209 CG GLU A 14 23.776 23.937 50.245 1.00 0.00 C ATOM 210 CD GLU A 14 25.021 24.657 50.746 1.00 0.00 C ATOM 211 OE1 GLU A 14 24.911 25.425 51.724 1.00 0.00 O ATOM 212 OE2 GLU A 14 26.104 24.453 50.158 1.00 0.00 O ATOM 0 H GLU A 14 21.782 25.354 46.995 1.00 0.00 H new ATOM 0 HA GLU A 14 21.717 23.214 48.997 1.00 0.00 H new ATOM 0 HB2 GLU A 14 23.270 25.749 49.200 1.00 0.00 H new ATOM 0 HB3 GLU A 14 22.236 25.404 50.572 1.00 0.00 H new ATOM 0 HG2 GLU A 14 23.339 23.347 51.050 1.00 0.00 H new ATOM 0 HG3 GLU A 14 24.044 23.242 49.449 1.00 0.00 H new ATOM 219 N LYS A 15 20.279 26.181 49.181 1.00 0.00 N ATOM 220 CA LYS A 15 19.008 26.857 49.433 1.00 0.00 C ATOM 221 C LYS A 15 18.442 27.426 48.139 1.00 0.00 C ATOM 222 O LYS A 15 17.680 28.393 48.157 1.00 0.00 O ATOM 223 CB LYS A 15 19.197 27.987 50.450 1.00 0.00 C ATOM 224 CG LYS A 15 20.243 27.635 51.508 1.00 0.00 C ATOM 225 CD LYS A 15 19.933 26.297 52.172 1.00 0.00 C ATOM 226 CE LYS A 15 18.566 26.320 52.849 1.00 0.00 C ATOM 227 NZ LYS A 15 18.466 25.270 53.902 1.00 0.00 N ATOM 0 H LYS A 15 21.082 26.806 49.112 1.00 0.00 H new ATOM 0 HA LYS A 15 18.308 26.126 49.837 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.499 28.896 49.930 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.245 28.199 50.937 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.230 27.594 51.047 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.276 28.419 52.264 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.959 25.503 51.426 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.703 26.067 52.909 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.394 27.301 53.293 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.786 26.166 52.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.526 25.310 54.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.607 24.333 53.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.196 25.433 54.625 1.00 0.00 H new ATOM 241 N HIS A 16 18.819 26.826 47.015 1.00 0.00 N ATOM 242 CA HIS A 16 18.346 27.278 45.710 1.00 0.00 C ATOM 243 C HIS A 16 17.705 26.127 44.949 1.00 0.00 C ATOM 244 O HIS A 16 18.113 24.974 45.088 1.00 0.00 O ATOM 245 CB HIS A 16 19.511 27.845 44.905 1.00 0.00 C ATOM 246 CG HIS A 16 20.046 29.120 45.477 1.00 0.00 C ATOM 247 ND1 HIS A 16 20.609 29.206 46.724 1.00 0.00 N ATOM 248 CD2 HIS A 16 20.109 30.381 44.976 1.00 0.00 C ATOM 249 CE1 HIS A 16 20.996 30.433 46.982 1.00 0.00 C ATOM 250 NE2 HIS A 16 20.705 31.184 45.932 1.00 0.00 N ATOM 0 H HIS A 16 19.450 26.026 46.981 1.00 0.00 H new ATOM 0 HA HIS A 16 17.598 28.057 45.860 1.00 0.00 H new ATOM 0 HB2 HIS A 16 20.312 27.107 44.864 1.00 0.00 H new ATOM 0 HB3 HIS A 16 19.186 28.020 43.879 1.00 0.00 H new ATOM 0 HD2 HIS A 16 19.757 30.699 44.006 1.00 0.00 H new ATOM 0 HE1 HIS A 16 21.469 30.771 47.892 1.00 0.00 H new ATOM 0 HE2 HIS A 16 20.889 32.183 45.843 1.00 0.00 H new ATOM 258 N LEU A 17 16.700 26.444 44.140 1.00 0.00 N ATOM 259 CA LEU A 17 16.005 25.431 43.354 1.00 0.00 C ATOM 260 C LEU A 17 15.839 25.899 41.914 1.00 0.00 C ATOM 261 O LEU A 17 14.856 26.556 41.570 1.00 0.00 O ATOM 262 CB LEU A 17 14.642 25.131 43.972 1.00 0.00 C ATOM 263 CG LEU A 17 14.287 23.650 43.851 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.076 23.269 42.389 1.00 0.00 C ATOM 265 CD2 LEU A 17 15.372 22.780 44.480 1.00 0.00 C ATOM 0 H LEU A 17 16.349 27.393 44.011 1.00 0.00 H new ATOM 0 HA LEU A 17 16.601 24.518 43.356 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.646 25.421 45.023 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.877 25.731 43.479 1.00 0.00 H new ATOM 0 HG LEU A 17 13.356 23.477 44.391 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.824 22.211 42.322 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.263 23.863 41.972 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.990 23.461 41.827 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.098 21.729 44.382 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.320 22.957 43.972 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.474 23.032 45.536 1.00 0.00 H new ATOM 277 N ALA A 18 16.810 25.549 41.079 1.00 0.00 N ATOM 278 CA ALA A 18 16.790 25.922 39.667 1.00 0.00 C ATOM 279 C ALA A 18 16.128 24.824 38.843 1.00 0.00 C ATOM 280 O ALA A 18 16.452 23.646 38.992 1.00 0.00 O ATOM 281 CB ALA A 18 18.216 26.154 39.176 1.00 0.00 C ATOM 0 H ALA A 18 17.626 25.004 41.356 1.00 0.00 H new ATOM 0 HA ALA A 18 16.216 26.842 39.551 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.197 26.432 38.122 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.674 26.956 39.755 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.797 25.240 39.300 1.00 0.00 H new ATOM 287 N VAL A 19 15.200 25.214 37.975 1.00 0.00 N ATOM 288 CA VAL A 19 14.493 24.254 37.128 1.00 0.00 C ATOM 289 C VAL A 19 14.575 24.669 35.663 1.00 0.00 C ATOM 290 O VAL A 19 14.387 25.837 35.327 1.00 0.00 O ATOM 291 CB VAL A 19 13.033 24.143 37.565 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.944 23.823 39.054 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.271 25.429 37.250 1.00 0.00 C ATOM 0 H VAL A 19 14.919 26.185 37.838 1.00 0.00 H new ATOM 0 HA VAL A 19 14.969 23.280 37.237 1.00 0.00 H new ATOM 0 HB VAL A 19 12.573 23.328 37.006 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.897 23.748 39.348 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.446 22.876 39.253 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.425 24.616 39.626 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.234 25.325 37.570 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.732 26.264 37.778 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.302 25.617 36.177 1.00 0.00 H new ATOM 303 N LEU A 20 14.857 23.705 34.796 1.00 0.00 N ATOM 304 CA LEU A 20 14.968 23.974 33.366 1.00 0.00 C ATOM 305 C LEU A 20 13.631 23.763 32.664 1.00 0.00 C ATOM 306 O LEU A 20 13.485 22.851 31.851 1.00 0.00 O ATOM 307 CB LEU A 20 16.027 23.067 32.749 1.00 0.00 C ATOM 308 CG LEU A 20 16.732 23.755 31.584 1.00 0.00 C ATOM 309 CD1 LEU A 20 17.793 22.839 30.981 1.00 0.00 C ATOM 310 CD2 LEU A 20 15.721 24.178 30.521 1.00 0.00 C ATOM 0 H LEU A 20 15.013 22.731 35.056 1.00 0.00 H new ATOM 0 HA LEU A 20 15.261 25.016 33.236 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.759 22.790 33.508 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.562 22.144 32.402 1.00 0.00 H new ATOM 0 HG LEU A 20 17.227 24.649 31.963 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.284 23.348 30.152 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.532 22.588 31.742 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.322 21.926 30.618 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.242 24.667 29.698 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.196 23.299 30.147 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.002 24.871 30.958 1.00 0.00 H new ATOM 322 N VAL A 21 12.658 24.618 32.972 1.00 0.00 N ATOM 323 CA VAL A 21 11.336 24.525 32.354 1.00 0.00 C ATOM 324 C VAL A 21 11.354 25.201 30.986 1.00 0.00 C ATOM 325 O VAL A 21 11.458 26.424 30.888 1.00 0.00 O ATOM 326 CB VAL A 21 10.276 25.164 33.260 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.747 26.515 33.764 1.00 0.00 C ATOM 328 CG2 VAL A 21 8.930 25.292 32.544 1.00 0.00 C ATOM 0 H VAL A 21 12.759 25.380 33.643 1.00 0.00 H new ATOM 0 HA VAL A 21 11.080 23.474 32.221 1.00 0.00 H new ATOM 0 HB VAL A 21 10.132 24.506 34.117 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.981 26.952 34.405 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.668 26.390 34.333 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.931 27.176 32.917 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.203 25.749 33.215 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.047 25.916 31.658 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.580 24.303 32.248 1.00 0.00 H new ATOM 338 N LYS A 22 11.254 24.396 29.933 1.00 0.00 N ATOM 339 CA LYS A 22 11.260 24.909 28.567 1.00 0.00 C ATOM 340 C LYS A 22 11.084 23.769 27.573 1.00 0.00 C ATOM 341 O LYS A 22 11.973 22.933 27.410 1.00 0.00 O ATOM 342 CB LYS A 22 12.570 25.640 28.289 1.00 0.00 C ATOM 343 CG LYS A 22 12.609 26.180 26.862 1.00 0.00 C ATOM 344 CD LYS A 22 14.037 26.497 26.428 1.00 0.00 C ATOM 345 CE LYS A 22 14.060 27.233 25.090 1.00 0.00 C ATOM 346 NZ LYS A 22 14.092 26.278 23.946 1.00 0.00 N ATOM 0 H LYS A 22 11.168 23.382 30.000 1.00 0.00 H new ATOM 0 HA LYS A 22 10.430 25.607 28.453 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.688 26.462 28.995 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.409 24.962 28.447 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.174 25.448 26.182 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.998 27.080 26.795 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.524 27.107 27.189 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.608 25.572 26.347 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.180 27.871 25.009 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.932 27.885 25.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.107 26.808 23.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.944 25.686 24.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.247 25.673 23.975 1.00 0.00 H new ATOM 360 N TYR A 23 9.934 23.739 26.908 1.00 0.00 N ATOM 361 CA TYR A 23 9.643 22.698 25.928 1.00 0.00 C ATOM 362 C TYR A 23 9.005 23.302 24.684 1.00 0.00 C ATOM 363 O TYR A 23 8.331 24.330 24.755 1.00 0.00 O ATOM 364 CB TYR A 23 8.710 21.656 26.536 1.00 0.00 C ATOM 365 CG TYR A 23 7.430 22.252 27.062 1.00 0.00 C ATOM 366 CD1 TYR A 23 7.412 22.877 28.297 1.00 0.00 C ATOM 367 CD2 TYR A 23 6.270 22.177 26.310 1.00 0.00 C ATOM 368 CE1 TYR A 23 6.235 23.425 28.779 1.00 0.00 C ATOM 369 CE2 TYR A 23 5.095 22.725 26.793 1.00 0.00 C ATOM 370 CZ TYR A 23 5.083 23.347 28.025 1.00 0.00 C ATOM 371 OH TYR A 23 3.914 23.891 28.504 1.00 0.00 O ATOM 0 H TYR A 23 9.188 24.424 27.030 1.00 0.00 H new ATOM 0 HA TYR A 23 10.579 22.217 25.643 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.473 20.905 25.783 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.226 21.142 27.347 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.316 22.937 28.885 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.282 21.690 25.346 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.219 23.912 29.743 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.189 22.666 26.207 1.00 0.00 H new ATOM 0 HH TYR A 23 4.017 24.101 29.456 1.00 0.00 H new ATOM 381 N GLU A 24 9.222 22.655 23.543 1.00 0.00 N ATOM 382 CA GLU A 24 8.671 23.123 22.274 1.00 0.00 C ATOM 383 C GLU A 24 7.176 23.385 22.405 1.00 0.00 C ATOM 384 O GLU A 24 6.569 23.079 23.432 1.00 0.00 O ATOM 385 CB GLU A 24 8.922 22.083 21.186 1.00 0.00 C ATOM 386 CG GLU A 24 10.168 22.421 20.374 1.00 0.00 C ATOM 387 CD GLU A 24 10.494 21.286 19.413 1.00 0.00 C ATOM 388 OE1 GLU A 24 10.576 20.126 19.868 1.00 0.00 O ATOM 389 OE2 GLU A 24 10.666 21.559 18.206 1.00 0.00 O ATOM 0 H GLU A 24 9.777 21.802 23.470 1.00 0.00 H new ATOM 0 HA GLU A 24 9.165 24.056 22.002 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.037 21.099 21.640 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.057 22.030 20.524 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.008 23.344 19.817 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.011 22.594 21.043 1.00 0.00 H new ATOM 396 N GLY A 25 6.587 23.952 21.358 1.00 0.00 N ATOM 397 CA GLY A 25 5.160 24.256 21.351 1.00 0.00 C ATOM 398 C GLY A 25 4.867 25.490 22.194 1.00 0.00 C ATOM 399 O GLY A 25 4.786 26.603 21.675 1.00 0.00 O ATOM 0 H GLY A 25 7.076 24.211 20.501 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.823 24.421 20.327 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.600 23.404 21.737 1.00 0.00 H new ATOM 403 N ASP A 26 4.708 25.285 23.497 1.00 0.00 N ATOM 404 CA ASP A 26 4.423 26.382 24.416 1.00 0.00 C ATOM 405 C ASP A 26 5.598 27.352 24.464 1.00 0.00 C ATOM 406 O ASP A 26 6.611 27.146 23.797 1.00 0.00 O ATOM 407 CB ASP A 26 4.140 25.833 25.811 1.00 0.00 C ATOM 408 CG ASP A 26 2.966 24.864 25.766 1.00 0.00 C ATOM 409 OD1 ASP A 26 2.980 23.951 24.914 1.00 0.00 O ATOM 410 OD2 ASP A 26 2.033 25.020 26.582 1.00 0.00 O ATOM 0 H ASP A 26 4.772 24.369 23.941 1.00 0.00 H new ATOM 0 HA ASP A 26 3.543 26.918 24.060 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.025 25.326 26.197 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.919 26.653 26.494 1.00 0.00 H new ATOM 415 N THR A 27 5.455 28.410 25.255 1.00 0.00 N ATOM 416 CA THR A 27 6.506 29.415 25.387 1.00 0.00 C ATOM 417 C THR A 27 6.748 29.744 26.855 1.00 0.00 C ATOM 418 O THR A 27 6.083 29.207 27.741 1.00 0.00 O ATOM 419 CB THR A 27 6.113 30.680 24.629 1.00 0.00 C ATOM 420 OG1 THR A 27 5.107 30.381 23.674 1.00 0.00 O ATOM 421 CG2 THR A 27 7.326 31.294 23.935 1.00 0.00 C ATOM 0 H THR A 27 4.622 28.595 25.815 1.00 0.00 H new ATOM 0 HA THR A 27 7.427 29.014 24.964 1.00 0.00 H new ATOM 0 HB THR A 27 5.723 31.403 25.345 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.859 31.198 23.193 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.023 32.194 23.401 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.080 31.550 24.679 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.743 30.576 23.228 1.00 0.00 H new ATOM 429 N MET A 28 7.706 30.630 27.105 1.00 0.00 N ATOM 430 CA MET A 28 8.043 31.038 28.465 1.00 0.00 C ATOM 431 C MET A 28 7.513 32.438 28.742 1.00 0.00 C ATOM 432 O MET A 28 7.876 33.394 28.057 1.00 0.00 O ATOM 433 CB MET A 28 9.554 31.015 28.650 1.00 0.00 C ATOM 434 CG MET A 28 10.151 29.697 28.164 1.00 0.00 C ATOM 435 SD MET A 28 11.605 29.940 27.130 1.00 0.00 S ATOM 436 CE MET A 28 12.910 29.398 28.245 1.00 0.00 C ATOM 0 H MET A 28 8.265 31.081 26.381 1.00 0.00 H new ATOM 0 HA MET A 28 7.582 30.341 29.165 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.002 31.844 28.102 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.796 31.160 29.703 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.419 29.084 29.024 1.00 0.00 H new ATOM 0 HG3 MET A 28 9.397 29.145 27.602 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.795 29.132 27.667 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.156 30.204 28.936 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.570 28.529 28.808 1.00 0.00 H new ATOM 446 N ALA A 29 6.652 32.554 29.746 1.00 0.00 N ATOM 447 CA ALA A 29 6.069 33.841 30.105 1.00 0.00 C ATOM 448 C ALA A 29 6.193 34.093 31.603 1.00 0.00 C ATOM 449 O ALA A 29 6.659 35.151 32.025 1.00 0.00 O ATOM 450 CB ALA A 29 4.602 33.871 29.691 1.00 0.00 C ATOM 0 H ALA A 29 6.342 31.774 30.325 1.00 0.00 H new ATOM 0 HA ALA A 29 6.611 34.628 29.581 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.168 34.834 29.960 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.525 33.727 28.613 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.063 33.074 30.203 1.00 0.00 H new ATOM 456 N GLU A 30 5.773 33.120 32.405 1.00 0.00 N ATOM 457 CA GLU A 30 5.839 33.251 33.857 1.00 0.00 C ATOM 458 C GLU A 30 5.797 31.884 34.527 1.00 0.00 C ATOM 459 O GLU A 30 5.200 30.941 34.007 1.00 0.00 O ATOM 460 CB GLU A 30 4.676 34.105 34.354 1.00 0.00 C ATOM 461 CG GLU A 30 4.865 35.572 33.980 1.00 0.00 C ATOM 462 CD GLU A 30 3.959 36.452 34.832 1.00 0.00 C ATOM 463 OE1 GLU A 30 2.764 36.579 34.493 1.00 0.00 O ATOM 464 OE2 GLU A 30 4.446 37.012 35.836 1.00 0.00 O ATOM 0 H GLU A 30 5.385 32.236 32.077 1.00 0.00 H new ATOM 0 HA GLU A 30 6.781 33.734 34.116 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.743 33.736 33.928 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.590 34.012 35.437 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.906 35.861 34.125 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.638 35.718 32.924 1.00 0.00 H new ATOM 471 N VAL A 31 6.430 31.790 35.692 1.00 0.00 N ATOM 472 CA VAL A 31 6.468 30.548 36.456 1.00 0.00 C ATOM 473 C VAL A 31 6.320 30.854 37.939 1.00 0.00 C ATOM 474 O VAL A 31 6.836 31.860 38.426 1.00 0.00 O ATOM 475 CB VAL A 31 7.783 29.811 36.209 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.740 28.418 36.830 1.00 0.00 C ATOM 477 CG2 VAL A 31 8.081 29.717 34.715 1.00 0.00 C ATOM 0 H VAL A 31 6.927 32.565 36.130 1.00 0.00 H new ATOM 0 HA VAL A 31 5.644 29.911 36.133 1.00 0.00 H new ATOM 0 HB VAL A 31 8.584 30.379 36.682 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.685 27.907 36.644 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.579 28.504 37.905 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.925 27.846 36.385 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.022 29.188 34.564 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.277 29.176 34.217 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.157 30.720 34.295 1.00 0.00 H new ATOM 487 N GLU A 32 5.610 29.991 38.654 1.00 0.00 N ATOM 488 CA GLU A 32 5.396 30.181 40.078 1.00 0.00 C ATOM 489 C GLU A 32 5.276 28.834 40.784 1.00 0.00 C ATOM 490 O GLU A 32 4.628 27.914 40.284 1.00 0.00 O ATOM 491 CB GLU A 32 4.143 31.016 40.299 1.00 0.00 C ATOM 492 CG GLU A 32 2.880 30.252 39.926 1.00 0.00 C ATOM 493 CD GLU A 32 1.934 31.152 39.142 1.00 0.00 C ATOM 494 OE1 GLU A 32 2.286 31.544 38.010 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.841 31.463 39.661 1.00 0.00 O ATOM 0 H GLU A 32 5.174 29.153 38.269 1.00 0.00 H new ATOM 0 HA GLU A 32 6.251 30.708 40.500 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.088 31.320 41.344 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.205 31.928 39.705 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.138 29.377 39.330 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.386 29.890 40.827 1.00 0.00 H new ATOM 502 N LEU A 33 5.916 28.724 41.943 1.00 0.00 N ATOM 503 CA LEU A 33 5.898 27.488 42.721 1.00 0.00 C ATOM 504 C LEU A 33 4.727 27.469 43.695 1.00 0.00 C ATOM 505 O LEU A 33 4.021 28.464 43.859 1.00 0.00 O ATOM 506 CB LEU A 33 7.204 27.354 43.498 1.00 0.00 C ATOM 507 CG LEU A 33 8.188 26.438 42.779 1.00 0.00 C ATOM 508 CD1 LEU A 33 9.607 26.676 43.287 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.791 24.976 42.964 1.00 0.00 C ATOM 0 H LEU A 33 6.456 29.478 42.367 1.00 0.00 H new ATOM 0 HA LEU A 33 5.786 26.652 42.031 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.652 28.339 43.632 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.998 26.960 44.493 1.00 0.00 H new ATOM 0 HG LEU A 33 8.160 26.669 41.714 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.297 26.014 42.763 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.890 27.713 43.104 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.650 26.471 44.357 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.504 24.337 42.444 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.791 24.731 44.026 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.794 24.815 42.554 1.00 0.00 H new ATOM 521 N ARG A 34 4.541 26.327 44.349 1.00 0.00 N ATOM 522 CA ARG A 34 3.472 26.159 45.326 1.00 0.00 C ATOM 523 C ARG A 34 4.071 25.780 46.674 1.00 0.00 C ATOM 524 O ARG A 34 3.941 26.520 47.649 1.00 0.00 O ATOM 525 CB ARG A 34 2.496 25.080 44.861 1.00 0.00 C ATOM 526 CG ARG A 34 1.240 25.064 45.727 1.00 0.00 C ATOM 527 CD ARG A 34 0.101 24.320 45.035 1.00 0.00 C ATOM 528 NE ARG A 34 -0.878 23.867 46.017 1.00 0.00 N ATOM 529 CZ ARG A 34 -2.172 23.781 45.726 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.890 24.883 45.558 1.00 0.00 N ATOM 531 NH2 ARG A 34 -2.748 22.593 45.603 1.00 0.00 N ATOM 0 H ARG A 34 5.122 25.499 44.218 1.00 0.00 H new ATOM 0 HA ARG A 34 2.927 27.098 45.426 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.222 25.257 43.821 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.981 24.105 44.901 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.460 24.589 46.683 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.931 26.087 45.943 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.380 24.973 44.307 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.496 23.466 44.485 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.561 23.609 46.952 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.449 25.798 45.652 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.883 24.816 45.335 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.198 21.744 45.732 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.741 22.528 45.380 1.00 0.00 H new ATOM 545 N GLU A 35 4.721 24.612 46.710 1.00 0.00 N ATOM 546 CA GLU A 35 5.363 24.077 47.918 1.00 0.00 C ATOM 547 C GLU A 35 4.373 23.231 48.700 1.00 0.00 C ATOM 548 O GLU A 35 4.526 23.031 49.904 1.00 0.00 O ATOM 549 CB GLU A 35 5.926 25.192 48.803 1.00 0.00 C ATOM 550 CG GLU A 35 6.750 26.182 47.984 1.00 0.00 C ATOM 551 CD GLU A 35 7.706 26.949 48.888 1.00 0.00 C ATOM 552 OE1 GLU A 35 8.809 26.432 49.163 1.00 0.00 O ATOM 553 OE2 GLU A 35 7.349 28.066 49.320 1.00 0.00 O ATOM 0 H GLU A 35 4.818 24.006 45.896 1.00 0.00 H new ATOM 0 HA GLU A 35 6.201 23.455 47.604 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.108 25.716 49.297 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.547 24.759 49.587 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.312 25.650 47.216 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.088 26.878 47.469 1.00 0.00 H new ATOM 560 N HIS A 36 3.367 22.726 47.992 1.00 0.00 N ATOM 561 CA HIS A 36 2.338 21.885 48.579 1.00 0.00 C ATOM 562 C HIS A 36 1.609 22.607 49.711 1.00 0.00 C ATOM 563 O HIS A 36 0.485 23.076 49.534 1.00 0.00 O ATOM 564 CB HIS A 36 2.950 20.582 49.087 1.00 0.00 C ATOM 565 CG HIS A 36 2.253 19.370 48.551 1.00 0.00 C ATOM 566 ND1 HIS A 36 0.903 19.321 48.315 1.00 0.00 N ATOM 567 CD2 HIS A 36 2.715 18.143 48.196 1.00 0.00 C ATOM 568 CE1 HIS A 36 0.550 18.146 47.847 1.00 0.00 C ATOM 569 NE2 HIS A 36 1.636 17.396 47.760 1.00 0.00 N ATOM 0 H HIS A 36 3.245 22.891 46.993 1.00 0.00 H new ATOM 0 HA HIS A 36 1.607 21.656 47.804 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.002 20.545 48.805 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.911 20.567 50.176 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.741 17.810 48.245 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.452 17.845 47.580 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.672 16.432 47.428 1.00 0.00 H new ATOM 577 N GLY A 37 2.251 22.691 50.874 1.00 0.00 N ATOM 578 CA GLY A 37 1.661 23.352 52.035 1.00 0.00 C ATOM 579 C GLY A 37 1.098 24.717 51.662 1.00 0.00 C ATOM 580 O GLY A 37 -0.110 24.941 51.730 1.00 0.00 O ATOM 0 H GLY A 37 3.182 22.308 51.037 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.868 22.729 52.448 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.415 23.467 52.814 1.00 0.00 H new ATOM 584 N SER A 38 1.982 25.631 51.271 1.00 0.00 N ATOM 585 CA SER A 38 1.574 26.981 50.889 1.00 0.00 C ATOM 586 C SER A 38 0.420 26.931 49.894 1.00 0.00 C ATOM 587 O SER A 38 0.623 26.686 48.705 1.00 0.00 O ATOM 588 CB SER A 38 2.755 27.728 50.278 1.00 0.00 C ATOM 589 OG SER A 38 2.713 29.101 50.634 1.00 0.00 O ATOM 0 H SER A 38 2.986 25.462 51.210 1.00 0.00 H new ATOM 0 HA SER A 38 1.239 27.508 51.783 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.690 27.286 50.622 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.735 27.627 49.193 1.00 0.00 H new ATOM 0 HG SER A 38 3.478 29.566 50.236 1.00 0.00 H new ATOM 595 N ASP A 39 -0.790 27.165 50.390 1.00 0.00 N ATOM 596 CA ASP A 39 -1.981 27.149 49.548 1.00 0.00 C ATOM 597 C ASP A 39 -1.865 28.195 48.447 1.00 0.00 C ATOM 598 O ASP A 39 -2.428 28.036 47.364 1.00 0.00 O ATOM 599 CB ASP A 39 -3.222 27.418 50.395 1.00 0.00 C ATOM 600 CG ASP A 39 -3.387 26.332 51.449 1.00 0.00 C ATOM 601 OD1 ASP A 39 -2.977 25.181 51.188 1.00 0.00 O ATOM 602 OD2 ASP A 39 -3.925 26.634 52.535 1.00 0.00 O ATOM 0 H ASP A 39 -0.972 27.368 51.373 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.071 26.165 49.087 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.138 28.392 50.877 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.105 27.453 49.757 1.00 0.00 H new ATOM 607 N GLU A 40 -1.130 29.266 48.731 1.00 0.00 N ATOM 608 CA GLU A 40 -0.938 30.342 47.765 1.00 0.00 C ATOM 609 C GLU A 40 0.347 30.122 46.977 1.00 0.00 C ATOM 610 O GLU A 40 1.410 29.892 47.555 1.00 0.00 O ATOM 611 CB GLU A 40 -0.884 31.686 48.486 1.00 0.00 C ATOM 612 CG GLU A 40 -2.055 32.577 48.081 1.00 0.00 C ATOM 613 CD GLU A 40 -2.472 33.465 49.246 1.00 0.00 C ATOM 614 OE1 GLU A 40 -1.601 33.816 50.070 1.00 0.00 O ATOM 615 OE2 GLU A 40 -3.670 33.809 49.333 1.00 0.00 O ATOM 0 H GLU A 40 -0.657 29.412 49.623 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.778 30.344 47.071 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.902 31.524 49.564 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.055 32.188 48.255 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.773 33.194 47.228 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.897 31.961 47.765 1.00 0.00 H new ATOM 622 N TRP A 41 0.243 30.191 45.654 1.00 0.00 N ATOM 623 CA TRP A 41 1.397 29.997 44.783 1.00 0.00 C ATOM 624 C TRP A 41 2.404 31.126 44.968 1.00 0.00 C ATOM 625 O TRP A 41 2.028 32.287 45.127 1.00 0.00 O ATOM 626 CB TRP A 41 0.946 29.943 43.326 1.00 0.00 C ATOM 627 CG TRP A 41 0.118 28.733 43.019 1.00 0.00 C ATOM 628 CD1 TRP A 41 -1.221 28.575 43.248 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.576 27.503 42.420 1.00 0.00 C ATOM 630 NE1 TRP A 41 -1.595 27.330 42.826 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.531 26.651 42.319 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.812 27.042 41.963 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.433 25.377 41.782 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.918 25.768 41.424 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.804 24.942 41.334 1.00 0.00 C ATOM 0 H TRP A 41 -0.630 30.380 45.161 1.00 0.00 H new ATOM 0 HA TRP A 41 1.876 29.054 45.049 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.371 30.839 43.095 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.823 29.951 42.678 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.875 29.312 43.689 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.544 26.960 42.883 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.684 27.676 42.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.301 24.738 41.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.876 25.415 41.071 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.903 23.953 40.911 1.00 0.00 H new ATOM 646 N VAL A 42 3.686 30.777 44.940 1.00 0.00 N ATOM 647 CA VAL A 42 4.754 31.759 45.098 1.00 0.00 C ATOM 648 C VAL A 42 5.519 31.911 43.789 1.00 0.00 C ATOM 649 O VAL A 42 6.213 30.993 43.354 1.00 0.00 O ATOM 650 CB VAL A 42 5.703 31.325 46.210 1.00 0.00 C ATOM 651 CG1 VAL A 42 4.968 31.257 47.546 1.00 0.00 C ATOM 652 CG2 VAL A 42 6.333 29.977 45.876 1.00 0.00 C ATOM 0 H VAL A 42 4.012 29.819 44.809 1.00 0.00 H new ATOM 0 HA VAL A 42 4.314 32.720 45.365 1.00 0.00 H new ATOM 0 HB VAL A 42 6.498 32.066 46.294 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.661 30.946 48.327 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.564 32.240 47.790 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.153 30.537 47.476 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.008 29.682 46.680 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.550 29.227 45.765 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.892 30.058 44.944 1.00 0.00 H new ATOM 662 N ALA A 43 5.381 33.074 43.162 1.00 0.00 N ATOM 663 CA ALA A 43 6.051 33.351 41.894 1.00 0.00 C ATOM 664 C ALA A 43 7.533 32.996 41.974 1.00 0.00 C ATOM 665 O ALA A 43 8.181 33.221 42.996 1.00 0.00 O ATOM 666 CB ALA A 43 5.890 34.824 41.533 1.00 0.00 C ATOM 0 H ALA A 43 4.810 33.843 43.512 1.00 0.00 H new ATOM 0 HA ALA A 43 5.591 32.736 41.121 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.392 35.024 40.586 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.830 35.062 41.439 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.332 35.441 42.315 1.00 0.00 H new ATOM 672 N MET A 44 8.063 32.443 40.886 1.00 0.00 N ATOM 673 CA MET A 44 9.471 32.059 40.825 1.00 0.00 C ATOM 674 C MET A 44 10.352 33.302 40.780 1.00 0.00 C ATOM 675 O MET A 44 9.882 34.413 41.022 1.00 0.00 O ATOM 676 CB MET A 44 9.724 31.196 39.592 1.00 0.00 C ATOM 677 CG MET A 44 10.000 29.745 39.975 1.00 0.00 C ATOM 678 SD MET A 44 11.651 29.515 40.657 1.00 0.00 S ATOM 679 CE MET A 44 11.681 27.730 40.885 1.00 0.00 C ATOM 0 H MET A 44 7.538 32.250 40.033 1.00 0.00 H new ATOM 0 HA MET A 44 9.718 31.484 41.717 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.859 31.241 38.931 1.00 0.00 H new ATOM 0 HB3 MET A 44 10.572 31.594 39.035 1.00 0.00 H new ATOM 0 HG2 MET A 44 9.260 29.418 40.705 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.882 29.112 39.096 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.269 27.486 41.770 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.663 27.362 41.013 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.129 27.259 40.010 1.00 0.00 H new ATOM 689 N THR A 45 11.631 33.110 40.469 1.00 0.00 N ATOM 690 CA THR A 45 12.571 34.222 40.395 1.00 0.00 C ATOM 691 C THR A 45 13.748 33.867 39.494 1.00 0.00 C ATOM 692 O THR A 45 14.693 33.206 39.924 1.00 0.00 O ATOM 693 CB THR A 45 13.073 34.566 41.793 1.00 0.00 C ATOM 694 OG1 THR A 45 11.979 34.905 42.632 1.00 0.00 O ATOM 695 CG2 THR A 45 14.071 35.719 41.744 1.00 0.00 C ATOM 0 H THR A 45 12.038 32.197 40.265 1.00 0.00 H new ATOM 0 HA THR A 45 12.058 35.086 39.972 1.00 0.00 H new ATOM 0 HB THR A 45 13.580 33.691 42.200 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.190 35.092 42.081 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.415 35.946 42.753 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.923 35.437 41.125 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.589 36.599 41.318 1.00 0.00 H new ATOM 703 N LYS A 46 13.687 34.315 38.244 1.00 0.00 N ATOM 704 CA LYS A 46 14.753 34.048 37.283 1.00 0.00 C ATOM 705 C LYS A 46 16.075 34.599 37.801 1.00 0.00 C ATOM 706 O LYS A 46 16.417 35.755 37.553 1.00 0.00 O ATOM 707 CB LYS A 46 14.416 34.685 35.938 1.00 0.00 C ATOM 708 CG LYS A 46 14.084 36.167 36.094 1.00 0.00 C ATOM 709 CD LYS A 46 14.788 37.007 35.030 1.00 0.00 C ATOM 710 CE LYS A 46 13.815 37.456 33.944 1.00 0.00 C ATOM 711 NZ LYS A 46 14.428 38.488 33.059 1.00 0.00 N ATOM 0 H LYS A 46 12.912 34.864 37.872 1.00 0.00 H new ATOM 0 HA LYS A 46 14.846 32.970 37.152 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.259 34.569 35.257 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.569 34.166 35.489 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.006 36.310 36.020 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.383 36.507 37.086 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.244 37.880 35.496 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.595 36.427 34.581 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.511 36.596 33.347 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.913 37.859 34.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.742 38.773 32.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.695 39.318 33.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.275 38.094 32.601 1.00 0.00 H new ATOM 725 N GLY A 47 16.812 33.768 38.529 1.00 0.00 N ATOM 726 CA GLY A 47 18.095 34.175 39.090 1.00 0.00 C ATOM 727 C GLY A 47 19.251 33.425 38.436 1.00 0.00 C ATOM 728 O GLY A 47 20.403 33.847 38.533 1.00 0.00 O ATOM 0 H GLY A 47 16.543 32.808 38.745 1.00 0.00 H new ATOM 0 HA2 GLY A 47 18.231 35.248 38.952 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.100 33.989 40.164 1.00 0.00 H new ATOM 732 N GLU A 48 18.947 32.311 37.774 1.00 0.00 N ATOM 733 CA GLU A 48 19.979 31.516 37.118 1.00 0.00 C ATOM 734 C GLU A 48 20.400 32.160 35.798 1.00 0.00 C ATOM 735 O GLU A 48 21.535 31.993 35.351 1.00 0.00 O ATOM 736 CB GLU A 48 19.457 30.099 36.876 1.00 0.00 C ATOM 737 CG GLU A 48 20.421 29.277 36.017 1.00 0.00 C ATOM 738 CD GLU A 48 21.833 29.338 36.591 1.00 0.00 C ATOM 739 OE1 GLU A 48 21.990 29.124 37.811 1.00 0.00 O ATOM 740 OE2 GLU A 48 22.778 29.601 35.818 1.00 0.00 O ATOM 0 H GLU A 48 18.001 31.941 37.679 1.00 0.00 H new ATOM 0 HA GLU A 48 20.854 31.471 37.766 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.306 29.599 37.833 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.485 30.149 36.385 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.085 28.241 35.972 1.00 0.00 H new ATOM 0 HG3 GLU A 48 20.421 29.656 34.995 1.00 0.00 H new ATOM 747 N GLY A 49 19.479 32.885 35.176 1.00 0.00 N ATOM 748 CA GLY A 49 19.749 33.543 33.900 1.00 0.00 C ATOM 749 C GLY A 49 18.918 32.895 32.804 1.00 0.00 C ATOM 750 O GLY A 49 18.370 33.572 31.934 1.00 0.00 O ATOM 0 H GLY A 49 18.536 33.034 35.534 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.512 34.605 33.970 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.809 33.468 33.658 1.00 0.00 H new ATOM 754 N GLY A 50 18.814 31.575 32.876 1.00 0.00 N ATOM 755 CA GLY A 50 18.032 30.801 31.922 1.00 0.00 C ATOM 756 C GLY A 50 17.228 29.734 32.660 1.00 0.00 C ATOM 757 O GLY A 50 16.734 28.783 32.056 1.00 0.00 O ATOM 0 H GLY A 50 19.268 31.012 33.595 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.361 31.458 31.369 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.692 30.332 31.192 1.00 0.00 H new ATOM 761 N VAL A 51 17.107 29.903 33.979 1.00 0.00 N ATOM 762 CA VAL A 51 16.375 28.971 34.822 1.00 0.00 C ATOM 763 C VAL A 51 15.766 29.730 35.994 1.00 0.00 C ATOM 764 O VAL A 51 16.333 30.712 36.474 1.00 0.00 O ATOM 765 CB VAL A 51 17.323 27.881 35.331 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.676 27.051 36.428 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.782 26.986 34.184 1.00 0.00 C ATOM 0 H VAL A 51 17.514 30.689 34.486 1.00 0.00 H new ATOM 0 HA VAL A 51 15.578 28.500 34.246 1.00 0.00 H new ATOM 0 HB VAL A 51 18.196 28.375 35.757 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.376 26.287 36.767 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.411 27.697 37.265 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.776 26.573 36.040 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.454 26.219 34.568 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.915 26.512 33.723 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.305 27.587 33.440 1.00 0.00 H new ATOM 777 N TRP A 52 14.607 29.277 36.441 1.00 0.00 N ATOM 778 CA TRP A 52 13.911 29.916 37.549 1.00 0.00 C ATOM 779 C TRP A 52 14.348 29.301 38.872 1.00 0.00 C ATOM 780 O TRP A 52 14.057 28.139 39.155 1.00 0.00 O ATOM 781 CB TRP A 52 12.405 29.760 37.355 1.00 0.00 C ATOM 782 CG TRP A 52 12.021 29.759 35.905 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.080 28.976 35.304 1.00 0.00 C ATOM 784 CD2 TRP A 52 12.608 30.563 34.863 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.038 29.281 33.971 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.953 30.240 33.668 1.00 0.00 C ATOM 787 CE3 TRP A 52 13.615 31.533 34.829 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.273 30.849 32.467 1.00 0.00 C ATOM 789 CZ3 TRP A 52 13.941 32.145 33.626 1.00 0.00 C ATOM 790 CH2 TRP A 52 13.272 31.806 32.455 1.00 0.00 C ATOM 0 H TRP A 52 14.125 28.466 36.053 1.00 0.00 H new ATOM 0 HA TRP A 52 14.160 30.977 37.571 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.075 28.830 37.818 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.888 30.572 37.866 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.468 28.236 35.799 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.407 28.848 33.297 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.137 31.805 35.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.754 30.583 31.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.721 32.891 33.600 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.535 32.294 31.528 1.00 0.00 H new ATOM 801 N THR A 53 15.057 30.087 39.677 1.00 0.00 N ATOM 802 CA THR A 53 15.543 29.618 40.970 1.00 0.00 C ATOM 803 C THR A 53 14.637 30.109 42.090 1.00 0.00 C ATOM 804 O THR A 53 14.013 31.165 41.981 1.00 0.00 O ATOM 805 CB THR A 53 16.969 30.110 41.207 1.00 0.00 C ATOM 806 OG1 THR A 53 17.096 31.458 40.782 1.00 0.00 O ATOM 807 CG2 THR A 53 17.978 29.233 40.473 1.00 0.00 C ATOM 0 H THR A 53 15.307 31.051 39.457 1.00 0.00 H new ATOM 0 HA THR A 53 15.537 28.528 40.965 1.00 0.00 H new ATOM 0 HB THR A 53 17.178 30.050 42.275 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.251 31.930 40.936 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.986 29.605 40.658 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.898 28.207 40.833 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.772 29.259 39.403 1.00 0.00 H new ATOM 815 N PHE A 54 14.571 29.337 43.168 1.00 0.00 N ATOM 816 CA PHE A 54 13.744 29.688 44.316 1.00 0.00 C ATOM 817 C PHE A 54 14.482 29.372 45.610 1.00 0.00 C ATOM 818 O PHE A 54 15.316 28.468 45.653 1.00 0.00 O ATOM 819 CB PHE A 54 12.427 28.920 44.262 1.00 0.00 C ATOM 820 CG PHE A 54 11.428 29.391 45.288 1.00 0.00 C ATOM 821 CD1 PHE A 54 10.642 30.502 45.033 1.00 0.00 C ATOM 822 CD2 PHE A 54 11.295 28.711 46.488 1.00 0.00 C ATOM 823 CE1 PHE A 54 9.723 30.933 45.975 1.00 0.00 C ATOM 824 CE2 PHE A 54 10.376 29.141 47.430 1.00 0.00 C ATOM 825 CZ PHE A 54 9.590 30.252 47.174 1.00 0.00 C ATOM 0 H PHE A 54 15.082 28.461 43.271 1.00 0.00 H new ATOM 0 HA PHE A 54 13.532 30.757 44.286 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.994 29.022 43.267 1.00 0.00 H new ATOM 0 HB3 PHE A 54 12.625 27.859 44.416 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.746 31.033 44.098 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.909 27.845 46.689 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.110 31.800 45.775 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.272 28.610 48.365 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.873 30.588 47.909 1.00 0.00 H new ATOM 835 N ASP A 55 14.176 30.124 46.662 1.00 0.00 N ATOM 836 CA ASP A 55 14.819 29.924 47.957 1.00 0.00 C ATOM 837 C ASP A 55 13.856 29.275 48.942 1.00 0.00 C ATOM 838 O ASP A 55 12.726 29.731 49.115 1.00 0.00 O ATOM 839 CB ASP A 55 15.305 31.260 48.510 1.00 0.00 C ATOM 840 CG ASP A 55 14.128 32.202 48.726 1.00 0.00 C ATOM 841 OD1 ASP A 55 13.498 32.130 49.802 1.00 0.00 O ATOM 842 OD2 ASP A 55 13.838 33.011 47.820 1.00 0.00 O ATOM 0 H ASP A 55 13.488 30.877 46.644 1.00 0.00 H new ATOM 0 HA ASP A 55 15.672 29.260 47.819 1.00 0.00 H new ATOM 0 HB2 ASP A 55 15.831 31.102 49.452 1.00 0.00 H new ATOM 0 HB3 ASP A 55 16.018 31.710 47.819 1.00 0.00 H new ATOM 847 N SER A 56 14.315 28.209 49.589 1.00 0.00 N ATOM 848 CA SER A 56 13.502 27.492 50.565 1.00 0.00 C ATOM 849 C SER A 56 14.267 27.339 51.872 1.00 0.00 C ATOM 850 O SER A 56 15.497 27.376 51.889 1.00 0.00 O ATOM 851 CB SER A 56 13.122 26.118 50.021 1.00 0.00 C ATOM 852 OG SER A 56 12.145 25.508 50.850 1.00 0.00 O ATOM 0 H SER A 56 15.249 27.821 49.454 1.00 0.00 H new ATOM 0 HA SER A 56 12.593 28.063 50.752 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.736 26.216 49.006 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.007 25.485 49.966 1.00 0.00 H new ATOM 0 HG SER A 56 11.575 26.199 51.247 1.00 0.00 H new ATOM 858 N GLU A 57 13.534 27.170 52.968 1.00 0.00 N ATOM 859 CA GLU A 57 14.150 27.015 54.281 1.00 0.00 C ATOM 860 C GLU A 57 13.204 26.293 55.230 1.00 0.00 C ATOM 861 O GLU A 57 13.137 26.612 56.417 1.00 0.00 O ATOM 862 CB GLU A 57 14.510 28.382 54.851 1.00 0.00 C ATOM 863 CG GLU A 57 13.370 29.379 54.657 1.00 0.00 C ATOM 864 CD GLU A 57 13.841 30.789 54.986 1.00 0.00 C ATOM 865 OE1 GLU A 57 14.404 30.988 56.084 1.00 0.00 O ATOM 866 OE2 GLU A 57 13.647 31.693 54.147 1.00 0.00 O ATOM 0 H GLU A 57 12.515 27.137 52.973 1.00 0.00 H new ATOM 0 HA GLU A 57 15.057 26.421 54.172 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.737 28.288 55.913 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.411 28.756 54.364 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.013 29.338 53.628 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.530 29.110 55.297 1.00 0.00 H new ATOM 873 N GLU A 58 12.474 25.319 54.701 1.00 0.00 N ATOM 874 CA GLU A 58 11.528 24.550 55.502 1.00 0.00 C ATOM 875 C GLU A 58 11.827 23.058 55.393 1.00 0.00 C ATOM 876 O GLU A 58 12.395 22.601 54.401 1.00 0.00 O ATOM 877 CB GLU A 58 10.100 24.836 55.040 1.00 0.00 C ATOM 878 CG GLU A 58 9.833 24.263 53.650 1.00 0.00 C ATOM 879 CD GLU A 58 9.282 25.344 52.730 1.00 0.00 C ATOM 880 OE1 GLU A 58 8.046 25.524 52.698 1.00 0.00 O ATOM 881 OE2 GLU A 58 10.085 26.008 52.042 1.00 0.00 O ATOM 0 H GLU A 58 12.518 25.042 53.720 1.00 0.00 H new ATOM 0 HA GLU A 58 11.630 24.848 56.545 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.394 24.408 55.752 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.929 25.912 55.029 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.755 23.856 53.234 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.124 23.438 53.719 1.00 0.00 H new ATOM 888 N PRO A 59 11.441 22.277 56.416 1.00 0.00 N ATOM 889 CA PRO A 59 11.665 20.825 56.433 1.00 0.00 C ATOM 890 C PRO A 59 10.738 20.095 55.469 1.00 0.00 C ATOM 891 O PRO A 59 11.153 19.168 54.773 1.00 0.00 O ATOM 892 CB PRO A 59 11.368 20.426 57.872 1.00 0.00 C ATOM 893 CG PRO A 59 10.445 21.475 58.393 1.00 0.00 C ATOM 894 CD PRO A 59 10.752 22.740 57.634 1.00 0.00 C ATOM 0 HA PRO A 59 12.674 20.564 56.115 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.907 19.439 57.919 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.283 20.379 58.463 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.405 21.181 58.250 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.591 21.621 59.463 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.842 23.289 57.392 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.383 23.410 58.217 1.00 0.00 H new ATOM 902 N LEU A 60 9.481 20.521 55.436 1.00 0.00 N ATOM 903 CA LEU A 60 8.486 19.913 54.560 1.00 0.00 C ATOM 904 C LEU A 60 8.758 20.282 53.107 1.00 0.00 C ATOM 905 O LEU A 60 8.085 21.142 52.539 1.00 0.00 O ATOM 906 CB LEU A 60 7.091 20.381 54.963 1.00 0.00 C ATOM 907 CG LEU A 60 6.859 20.202 56.460 1.00 0.00 C ATOM 908 CD1 LEU A 60 6.639 21.553 57.134 1.00 0.00 C ATOM 909 CD2 LEU A 60 5.667 19.281 56.709 1.00 0.00 C ATOM 0 H LEU A 60 9.125 21.287 56.007 1.00 0.00 H new ATOM 0 HA LEU A 60 8.546 18.829 54.660 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.966 21.430 54.696 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.341 19.819 54.407 1.00 0.00 H new ATOM 0 HG LEU A 60 7.748 19.743 56.893 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.475 21.405 58.201 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.517 22.181 56.985 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.767 22.040 56.697 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.515 19.164 57.782 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.773 19.714 56.261 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.861 18.306 56.262 1.00 0.00 H new ATOM 921 N GLN A 61 9.748 19.626 52.509 1.00 0.00 N ATOM 922 CA GLN A 61 10.107 19.886 51.119 1.00 0.00 C ATOM 923 C GLN A 61 9.870 18.646 50.266 1.00 0.00 C ATOM 924 O GLN A 61 10.763 17.815 50.098 1.00 0.00 O ATOM 925 CB GLN A 61 11.571 20.309 51.027 1.00 0.00 C ATOM 926 CG GLN A 61 11.753 21.453 50.034 1.00 0.00 C ATOM 927 CD GLN A 61 12.967 22.290 50.410 1.00 0.00 C ATOM 928 OE1 GLN A 61 13.937 22.369 49.655 1.00 0.00 O ATOM 929 NE2 GLN A 61 12.915 22.918 51.578 1.00 0.00 N ATOM 0 H GLN A 61 10.315 18.911 52.965 1.00 0.00 H new ATOM 0 HA GLN A 61 9.478 20.693 50.744 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.926 20.618 52.010 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.180 19.458 50.721 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.876 21.054 49.027 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.861 22.079 50.022 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.091 22.824 52.171 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.699 23.495 51.882 1.00 0.00 H new ATOM 938 N GLY A 62 8.660 18.528 49.729 1.00 0.00 N ATOM 939 CA GLY A 62 8.297 17.390 48.890 1.00 0.00 C ATOM 940 C GLY A 62 8.404 17.761 47.413 1.00 0.00 C ATOM 941 O GLY A 62 9.406 18.331 46.983 1.00 0.00 O ATOM 0 H GLY A 62 7.912 19.209 49.860 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.952 16.546 49.108 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.280 17.071 49.119 1.00 0.00 H new ATOM 945 N PRO A 63 7.369 17.447 46.612 1.00 0.00 N ATOM 946 CA PRO A 63 7.362 17.760 45.176 1.00 0.00 C ATOM 947 C PRO A 63 7.117 19.242 44.922 1.00 0.00 C ATOM 948 O PRO A 63 6.376 19.892 45.660 1.00 0.00 O ATOM 949 CB PRO A 63 6.218 16.922 44.622 1.00 0.00 C ATOM 950 CG PRO A 63 5.296 16.696 45.776 1.00 0.00 C ATOM 951 CD PRO A 63 6.130 16.770 47.033 1.00 0.00 C ATOM 0 HA PRO A 63 8.320 17.539 44.705 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.710 17.440 43.809 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.582 15.977 44.219 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.508 17.449 45.792 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.808 15.725 45.694 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.619 17.329 47.817 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.336 15.777 47.432 1.00 0.00 H new ATOM 959 N PHE A 64 7.740 19.774 43.877 1.00 0.00 N ATOM 960 CA PHE A 64 7.583 21.183 43.534 1.00 0.00 C ATOM 961 C PHE A 64 6.530 21.349 42.449 1.00 0.00 C ATOM 962 O PHE A 64 6.798 21.128 41.268 1.00 0.00 O ATOM 963 CB PHE A 64 8.910 21.762 43.056 1.00 0.00 C ATOM 964 CG PHE A 64 9.940 21.859 44.152 1.00 0.00 C ATOM 965 CD1 PHE A 64 9.714 22.675 45.249 1.00 0.00 C ATOM 966 CD2 PHE A 64 11.116 21.134 44.061 1.00 0.00 C ATOM 967 CE1 PHE A 64 10.664 22.763 46.254 1.00 0.00 C ATOM 968 CE2 PHE A 64 12.064 21.221 45.065 1.00 0.00 C ATOM 969 CZ PHE A 64 11.839 22.036 46.161 1.00 0.00 C ATOM 0 H PHE A 64 8.357 19.253 43.254 1.00 0.00 H new ATOM 0 HA PHE A 64 7.261 21.721 44.426 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.302 21.141 42.251 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.738 22.754 42.638 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.798 23.242 45.321 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.294 20.500 43.205 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.488 23.398 47.109 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.980 20.653 44.994 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.580 22.105 46.944 1.00 0.00 H new ATOM 979 N ASN A 65 5.331 21.739 42.859 1.00 0.00 N ATOM 980 CA ASN A 65 4.227 21.939 41.925 1.00 0.00 C ATOM 981 C ASN A 65 4.391 23.273 41.212 1.00 0.00 C ATOM 982 O ASN A 65 4.804 24.262 41.817 1.00 0.00 O ATOM 983 CB ASN A 65 2.876 21.913 42.656 1.00 0.00 C ATOM 984 CG ASN A 65 2.928 21.035 43.899 1.00 0.00 C ATOM 985 OD1 ASN A 65 3.776 21.223 44.771 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.018 20.084 43.985 1.00 0.00 N ATOM 0 H ASN A 65 5.096 21.924 43.834 1.00 0.00 H new ATOM 0 HA ASN A 65 4.244 21.127 41.198 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.595 22.928 42.938 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.104 21.544 41.981 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.999 19.469 44.798 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.334 19.964 43.238 1.00 0.00 H new ATOM 993 N PHE A 66 4.065 23.300 39.925 1.00 0.00 N ATOM 994 CA PHE A 66 4.178 24.523 39.138 1.00 0.00 C ATOM 995 C PHE A 66 2.877 24.806 38.402 1.00 0.00 C ATOM 996 O PHE A 66 1.896 24.078 38.545 1.00 0.00 O ATOM 997 CB PHE A 66 5.316 24.402 38.132 1.00 0.00 C ATOM 998 CG PHE A 66 6.679 24.370 38.777 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.349 25.553 39.044 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.264 23.157 39.099 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.602 25.522 39.633 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.518 23.126 39.687 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.186 24.309 39.954 1.00 0.00 C ATOM 0 H PHE A 66 3.721 22.492 39.405 1.00 0.00 H new ATOM 0 HA PHE A 66 4.387 25.348 39.819 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.178 23.494 37.545 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.269 25.241 37.438 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.894 26.500 38.793 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.742 22.234 38.892 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.123 26.444 39.842 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.974 22.180 39.937 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.163 24.285 40.413 1.00 0.00 H new ATOM 1013 N ARG A 67 2.885 25.872 37.610 1.00 0.00 N ATOM 1014 CA ARG A 67 1.717 26.272 36.836 1.00 0.00 C ATOM 1015 C ARG A 67 2.025 27.546 36.065 1.00 0.00 C ATOM 1016 O ARG A 67 1.289 28.529 36.144 1.00 0.00 O ATOM 1017 CB ARG A 67 0.527 26.497 37.762 1.00 0.00 C ATOM 1018 CG ARG A 67 0.790 27.650 38.724 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.163 28.813 38.461 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.791 29.246 39.705 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.989 29.823 39.720 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.289 30.759 38.829 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -2.889 29.463 40.625 1.00 0.00 N ATOM 0 H ARG A 67 3.695 26.479 37.487 1.00 0.00 H new ATOM 0 HA ARG A 67 1.468 25.479 36.131 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.363 26.709 37.170 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.325 25.587 38.327 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.673 27.305 39.751 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.820 27.989 38.617 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.382 29.644 38.013 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.928 28.510 37.746 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.298 29.102 40.586 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.600 31.038 38.130 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.209 31.200 38.843 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.663 28.743 41.311 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.807 29.906 40.635 1.00 0.00 H new ATOM 1037 N PHE A 68 3.126 27.521 35.322 1.00 0.00 N ATOM 1038 CA PHE A 68 3.552 28.673 34.533 1.00 0.00 C ATOM 1039 C PHE A 68 2.404 29.202 33.691 1.00 0.00 C ATOM 1040 O PHE A 68 1.359 28.563 33.566 1.00 0.00 O ATOM 1041 CB PHE A 68 4.715 28.285 33.624 1.00 0.00 C ATOM 1042 CG PHE A 68 4.574 26.896 33.053 1.00 0.00 C ATOM 1043 CD1 PHE A 68 3.520 26.601 32.204 1.00 0.00 C ATOM 1044 CD2 PHE A 68 5.492 25.912 33.383 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.385 25.326 31.683 1.00 0.00 C ATOM 1046 CE2 PHE A 68 5.356 24.636 32.862 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.303 24.343 32.012 1.00 0.00 C ATOM 0 H PHE A 68 3.743 26.712 35.249 1.00 0.00 H new ATOM 0 HA PHE A 68 3.874 29.456 35.220 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.786 29.003 32.807 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.646 28.349 34.187 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.803 27.367 31.948 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.313 26.140 34.046 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.564 25.098 31.020 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.072 23.869 33.119 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.198 23.348 31.606 1.00 0.00 H new ATOM 1057 N LEU A 69 2.612 30.374 33.107 1.00 0.00 N ATOM 1058 CA LEU A 69 1.605 31.005 32.261 1.00 0.00 C ATOM 1059 C LEU A 69 2.206 31.286 30.892 1.00 0.00 C ATOM 1060 O LEU A 69 2.497 32.434 30.563 1.00 0.00 O ATOM 1061 CB LEU A 69 1.106 32.315 32.883 1.00 0.00 C ATOM 1062 CG LEU A 69 1.215 32.315 34.409 1.00 0.00 C ATOM 1063 CD1 LEU A 69 1.011 33.723 34.959 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.204 31.349 35.021 1.00 0.00 C ATOM 0 H LEU A 69 3.474 30.911 33.204 1.00 0.00 H new ATOM 0 HA LEU A 69 0.756 30.328 32.165 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.682 33.148 32.480 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.067 32.478 32.596 1.00 0.00 H new ATOM 0 HG LEU A 69 2.216 31.980 34.681 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.092 33.704 36.046 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.772 34.387 34.550 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.023 34.085 34.675 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.298 31.364 36.107 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.805 31.652 34.740 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.396 30.341 34.654 1.00 0.00 H new ATOM 1076 N THR A 70 2.402 30.222 30.108 1.00 0.00 N ATOM 1077 CA THR A 70 2.989 30.318 28.764 1.00 0.00 C ATOM 1078 C THR A 70 2.567 31.600 28.052 1.00 0.00 C ATOM 1079 O THR A 70 1.407 32.005 28.114 1.00 0.00 O ATOM 1080 CB THR A 70 2.575 29.107 27.934 1.00 0.00 C ATOM 1081 OG1 THR A 70 1.160 29.030 27.864 1.00 0.00 O ATOM 1082 CG2 THR A 70 3.140 27.821 28.531 1.00 0.00 C ATOM 0 H THR A 70 2.159 29.271 30.384 1.00 0.00 H new ATOM 0 HA THR A 70 4.073 30.340 28.874 1.00 0.00 H new ATOM 0 HB THR A 70 2.979 29.224 26.928 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.820 29.762 27.309 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.832 26.971 27.922 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.228 27.877 28.551 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.764 27.695 29.546 1.00 0.00 H new ATOM 1090 N GLU A 71 3.525 32.237 27.382 1.00 0.00 N ATOM 1091 CA GLU A 71 3.271 33.482 26.660 1.00 0.00 C ATOM 1092 C GLU A 71 1.993 33.382 25.833 1.00 0.00 C ATOM 1093 O GLU A 71 1.089 34.206 25.971 1.00 0.00 O ATOM 1094 CB GLU A 71 4.452 33.806 25.749 1.00 0.00 C ATOM 1095 CG GLU A 71 5.750 33.946 26.543 1.00 0.00 C ATOM 1096 CD GLU A 71 6.107 35.418 26.710 1.00 0.00 C ATOM 1097 OE1 GLU A 71 5.741 36.224 25.830 1.00 0.00 O ATOM 1098 OE2 GLU A 71 6.753 35.763 27.722 1.00 0.00 O ATOM 0 H GLU A 71 4.489 31.909 27.324 1.00 0.00 H new ATOM 0 HA GLU A 71 3.147 34.281 27.391 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.564 33.019 25.003 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.253 34.732 25.209 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.639 33.478 27.521 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.557 33.424 26.029 1.00 0.00 H new ATOM 1105 N LYS A 72 1.925 32.371 24.975 1.00 0.00 N ATOM 1106 CA LYS A 72 0.756 32.166 24.127 1.00 0.00 C ATOM 1107 C LYS A 72 0.405 30.686 24.050 1.00 0.00 C ATOM 1108 O LYS A 72 0.702 30.017 23.061 1.00 0.00 O ATOM 1109 CB LYS A 72 1.025 32.712 22.727 1.00 0.00 C ATOM 1110 CG LYS A 72 -0.215 32.608 21.843 1.00 0.00 C ATOM 1111 CD LYS A 72 -1.432 33.238 22.515 1.00 0.00 C ATOM 1112 CE LYS A 72 -2.509 33.592 21.493 1.00 0.00 C ATOM 1113 NZ LYS A 72 -3.774 34.008 22.162 1.00 0.00 N ATOM 0 H LYS A 72 2.665 31.681 24.848 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.088 32.701 24.563 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.339 33.753 22.795 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.847 32.160 22.271 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.027 33.103 20.890 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.420 31.560 21.623 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.841 32.548 23.253 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.129 34.136 23.053 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.153 34.397 20.850 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.700 32.733 20.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.487 34.242 21.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.125 33.230 22.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.594 34.843 22.756 1.00 0.00 H new ATOM 1127 N GLY A 73 -0.231 30.181 25.102 1.00 0.00 N ATOM 1128 CA GLY A 73 -0.628 28.778 25.161 1.00 0.00 C ATOM 1129 C GLY A 73 -1.670 28.562 26.251 1.00 0.00 C ATOM 1130 O GLY A 73 -2.871 28.683 26.008 1.00 0.00 O ATOM 0 H GLY A 73 -0.483 30.724 25.928 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.032 28.468 24.197 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.245 28.155 25.356 1.00 0.00 H new ATOM 1134 N MET A 74 -1.204 28.243 27.455 1.00 0.00 N ATOM 1135 CA MET A 74 -2.097 28.012 28.586 1.00 0.00 C ATOM 1136 C MET A 74 -1.302 27.587 29.814 1.00 0.00 C ATOM 1137 O MET A 74 -0.097 27.347 29.735 1.00 0.00 O ATOM 1138 CB MET A 74 -3.121 26.938 28.231 1.00 0.00 C ATOM 1139 CG MET A 74 -2.441 25.667 27.732 1.00 0.00 C ATOM 1140 SD MET A 74 -3.503 24.220 27.872 1.00 0.00 S ATOM 1141 CE MET A 74 -3.197 23.418 26.291 1.00 0.00 C ATOM 0 H MET A 74 -0.213 28.139 27.673 1.00 0.00 H new ATOM 0 HA MET A 74 -2.619 28.942 28.813 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.729 26.708 29.106 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.797 27.316 27.464 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.148 25.800 26.691 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.527 25.500 28.301 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.786 22.503 26.227 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.481 24.090 25.481 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.138 23.174 26.206 1.00 0.00 H new ATOM 1151 N LYS A 75 -1.987 27.493 30.949 1.00 0.00 N ATOM 1152 CA LYS A 75 -1.351 27.093 32.201 1.00 0.00 C ATOM 1153 C LYS A 75 -1.795 25.689 32.592 1.00 0.00 C ATOM 1154 O LYS A 75 -2.939 25.301 32.353 1.00 0.00 O ATOM 1155 CB LYS A 75 -1.707 28.082 33.311 1.00 0.00 C ATOM 1156 CG LYS A 75 -3.209 28.094 33.595 1.00 0.00 C ATOM 1157 CD LYS A 75 -3.612 26.935 34.502 1.00 0.00 C ATOM 1158 CE LYS A 75 -4.344 27.432 35.746 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.725 26.891 36.988 1.00 0.00 N ATOM 0 H LYS A 75 -2.985 27.689 31.028 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.270 27.094 32.060 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.167 27.819 34.220 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.382 29.083 33.025 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.485 29.038 34.064 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.759 28.032 32.656 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.253 26.246 33.952 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.724 26.377 34.799 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.324 28.522 35.772 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.391 27.133 35.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.243 27.246 37.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.766 25.852 36.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.733 27.197 37.043 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.885 24.930 33.194 1.00 0.00 N ATOM 1174 CA ASN A 76 -1.187 23.565 33.616 1.00 0.00 C ATOM 1175 C ASN A 76 -0.585 23.283 34.987 1.00 0.00 C ATOM 1176 O ASN A 76 0.529 23.710 35.287 1.00 0.00 O ATOM 1177 CB ASN A 76 -0.642 22.572 32.596 1.00 0.00 C ATOM 1178 CG ASN A 76 -1.692 21.515 32.278 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -1.552 20.353 32.658 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -2.746 21.919 31.580 1.00 0.00 N ATOM 0 H ASN A 76 0.066 25.235 33.401 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.269 23.454 33.682 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.355 23.096 31.684 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.258 22.096 32.986 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.482 21.256 31.338 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.820 22.893 31.286 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.331 22.559 35.815 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.876 22.213 37.157 1.00 0.00 C ATOM 1189 C VAL A 77 -0.023 20.950 37.118 1.00 0.00 C ATOM 1190 O VAL A 77 -0.185 20.106 36.236 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.081 22.009 38.075 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.637 21.548 39.462 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.895 23.295 38.177 1.00 0.00 C ATOM 0 H VAL A 77 -2.256 22.200 35.579 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.267 23.029 37.546 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.710 21.231 37.643 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.512 21.410 40.097 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.098 20.604 39.377 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.984 22.300 39.904 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.750 23.134 38.834 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.270 24.090 38.583 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.248 23.582 37.186 1.00 0.00 H new ATOM 1203 N PHE A 78 0.884 20.826 38.081 1.00 0.00 N ATOM 1204 CA PHE A 78 1.764 19.665 38.162 1.00 0.00 C ATOM 1205 C PHE A 78 1.904 19.211 39.607 1.00 0.00 C ATOM 1206 O PHE A 78 2.339 19.973 40.470 1.00 0.00 O ATOM 1207 CB PHE A 78 3.131 20.008 37.575 1.00 0.00 C ATOM 1208 CG PHE A 78 3.019 20.695 36.238 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.737 19.955 35.102 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.187 22.066 36.144 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.622 20.583 33.876 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.072 22.696 34.916 1.00 0.00 C ATOM 1213 CZ PHE A 78 2.790 21.954 33.781 1.00 0.00 C ATOM 0 H PHE A 78 1.029 21.516 38.818 1.00 0.00 H new ATOM 0 HA PHE A 78 1.329 18.849 37.585 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.671 20.652 38.269 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.717 19.095 37.465 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.607 18.885 35.174 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.408 22.645 37.029 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.401 20.004 32.992 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.202 23.766 34.843 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.701 22.444 32.823 1.00 0.00 H new ATOM 1223 N ASP A 79 1.521 17.965 39.865 1.00 0.00 N ATOM 1224 CA ASP A 79 1.590 17.404 41.211 1.00 0.00 C ATOM 1225 C ASP A 79 2.552 16.223 41.253 1.00 0.00 C ATOM 1226 O ASP A 79 2.225 15.159 41.779 1.00 0.00 O ATOM 1227 CB ASP A 79 0.198 16.965 41.658 1.00 0.00 C ATOM 1228 CG ASP A 79 -0.298 15.811 40.796 1.00 0.00 C ATOM 1229 OD1 ASP A 79 0.209 15.651 39.666 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -1.192 15.068 41.253 1.00 0.00 O ATOM 0 H ASP A 79 1.159 17.323 39.160 1.00 0.00 H new ATOM 0 HA ASP A 79 1.961 18.171 41.891 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.224 16.660 42.704 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.495 17.804 41.588 1.00 0.00 H new ATOM 1235 N ASP A 80 3.739 16.421 40.692 1.00 0.00 N ATOM 1236 CA ASP A 80 4.769 15.384 40.651 1.00 0.00 C ATOM 1237 C ASP A 80 5.865 15.805 39.686 1.00 0.00 C ATOM 1238 O ASP A 80 6.051 15.193 38.634 1.00 0.00 O ATOM 1239 CB ASP A 80 4.168 14.050 40.210 1.00 0.00 C ATOM 1240 CG ASP A 80 4.038 13.111 41.403 1.00 0.00 C ATOM 1241 OD1 ASP A 80 4.941 13.117 42.265 1.00 0.00 O ATOM 1242 OD2 ASP A 80 3.033 12.372 41.473 1.00 0.00 O ATOM 0 H ASP A 80 4.016 17.300 40.254 1.00 0.00 H new ATOM 0 HA ASP A 80 5.189 15.258 41.649 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.189 14.215 39.760 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.798 13.594 39.446 1.00 0.00 H new ATOM 1247 N VAL A 81 6.572 16.871 40.040 1.00 0.00 N ATOM 1248 CA VAL A 81 7.635 17.400 39.195 1.00 0.00 C ATOM 1249 C VAL A 81 9.012 17.200 39.832 1.00 0.00 C ATOM 1250 O VAL A 81 10.034 17.409 39.178 1.00 0.00 O ATOM 1251 CB VAL A 81 7.366 18.882 38.928 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.524 19.537 38.185 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.076 19.047 38.129 1.00 0.00 C ATOM 0 H VAL A 81 6.428 17.387 40.908 1.00 0.00 H new ATOM 0 HA VAL A 81 7.641 16.854 38.251 1.00 0.00 H new ATOM 0 HB VAL A 81 7.262 19.379 39.893 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.297 20.589 38.013 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.432 19.454 38.782 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.672 19.037 37.228 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.895 20.106 37.945 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.168 18.524 37.177 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.242 18.629 38.693 1.00 0.00 H new ATOM 1263 N VAL A 82 9.046 16.789 41.098 1.00 0.00 N ATOM 1264 CA VAL A 82 10.316 16.561 41.785 1.00 0.00 C ATOM 1265 C VAL A 82 10.138 15.577 42.940 1.00 0.00 C ATOM 1266 O VAL A 82 9.228 15.725 43.756 1.00 0.00 O ATOM 1267 CB VAL A 82 10.877 17.882 42.314 1.00 0.00 C ATOM 1268 CG1 VAL A 82 12.173 17.648 43.093 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.119 18.858 41.167 1.00 0.00 C ATOM 0 H VAL A 82 8.217 16.608 41.665 1.00 0.00 H new ATOM 0 HA VAL A 82 11.018 16.135 41.068 1.00 0.00 H new ATOM 0 HB VAL A 82 10.142 18.316 42.992 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.554 18.601 43.460 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.976 16.987 43.937 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.913 17.189 42.438 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.518 19.792 41.562 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.833 18.426 40.466 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.179 19.054 40.652 1.00 0.00 H new ATOM 1279 N PRO A 83 11.016 14.560 43.029 1.00 0.00 N ATOM 1280 CA PRO A 83 10.962 13.549 44.102 1.00 0.00 C ATOM 1281 C PRO A 83 11.322 14.142 45.460 1.00 0.00 C ATOM 1282 O PRO A 83 11.366 15.361 45.624 1.00 0.00 O ATOM 1283 CB PRO A 83 12.002 12.517 43.684 1.00 0.00 C ATOM 1284 CG PRO A 83 12.955 13.268 42.817 1.00 0.00 C ATOM 1285 CD PRO A 83 12.138 14.309 42.105 1.00 0.00 C ATOM 0 HA PRO A 83 9.961 13.133 44.218 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.507 12.091 44.551 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.543 11.689 43.143 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.742 13.730 43.412 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.443 12.602 42.106 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.716 15.215 41.920 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.788 13.951 41.137 1.00 0.00 H new ATOM 1293 N GLU A 84 11.590 13.270 46.428 1.00 0.00 N ATOM 1294 CA GLU A 84 11.959 13.705 47.770 1.00 0.00 C ATOM 1295 C GLU A 84 13.412 14.164 47.784 1.00 0.00 C ATOM 1296 O GLU A 84 13.762 15.138 48.451 1.00 0.00 O ATOM 1297 CB GLU A 84 11.761 12.563 48.762 1.00 0.00 C ATOM 1298 CG GLU A 84 11.371 13.088 50.141 1.00 0.00 C ATOM 1299 CD GLU A 84 11.616 12.021 51.199 1.00 0.00 C ATOM 1300 OE1 GLU A 84 12.670 11.354 51.138 1.00 0.00 O ATOM 1301 OE2 GLU A 84 10.754 11.854 52.087 1.00 0.00 O ATOM 0 H GLU A 84 11.558 12.258 46.307 1.00 0.00 H new ATOM 0 HA GLU A 84 11.321 14.539 48.062 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.987 11.889 48.395 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.680 11.981 48.838 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.950 13.982 50.375 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.320 13.379 50.144 1.00 0.00 H new ATOM 1308 N LYS A 85 14.253 13.457 47.035 1.00 0.00 N ATOM 1309 CA LYS A 85 15.672 13.786 46.946 1.00 0.00 C ATOM 1310 C LYS A 85 16.062 14.018 45.491 1.00 0.00 C ATOM 1311 O LYS A 85 16.700 13.171 44.866 1.00 0.00 O ATOM 1312 CB LYS A 85 16.510 12.654 47.536 1.00 0.00 C ATOM 1313 CG LYS A 85 17.098 13.048 48.889 1.00 0.00 C ATOM 1314 CD LYS A 85 18.619 12.918 48.889 1.00 0.00 C ATOM 1315 CE LYS A 85 19.181 13.003 50.306 1.00 0.00 C ATOM 1316 NZ LYS A 85 20.670 13.061 50.296 1.00 0.00 N ATOM 0 H LYS A 85 13.975 12.649 46.478 1.00 0.00 H new ATOM 0 HA LYS A 85 15.860 14.697 47.514 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.893 11.763 47.651 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.315 12.398 46.848 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.818 14.075 49.125 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.676 12.415 49.670 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.905 11.968 48.438 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.054 13.706 48.275 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.784 13.887 50.804 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.853 12.138 50.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.022 13.118 51.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.048 12.205 49.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.981 13.900 49.766 1.00 0.00 H new ATOM 1330 N TYR A 86 15.666 15.170 44.956 1.00 0.00 N ATOM 1331 CA TYR A 86 15.962 15.521 43.568 1.00 0.00 C ATOM 1332 C TYR A 86 17.428 15.262 43.241 1.00 0.00 C ATOM 1333 O TYR A 86 18.233 14.973 44.127 1.00 0.00 O ATOM 1334 CB TYR A 86 15.630 16.989 43.322 1.00 0.00 C ATOM 1335 CG TYR A 86 16.523 17.929 44.092 1.00 0.00 C ATOM 1336 CD1 TYR A 86 17.804 18.197 43.640 1.00 0.00 C ATOM 1337 CD2 TYR A 86 16.063 18.526 45.253 1.00 0.00 C ATOM 1338 CE1 TYR A 86 18.622 19.061 44.349 1.00 0.00 C ATOM 1339 CE2 TYR A 86 16.882 19.389 45.961 1.00 0.00 C ATOM 1340 CZ TYR A 86 18.157 19.652 45.506 1.00 0.00 C ATOM 1341 OH TYR A 86 18.971 20.510 46.210 1.00 0.00 O ATOM 0 H TYR A 86 15.137 15.879 45.464 1.00 0.00 H new ATOM 0 HA TYR A 86 15.349 14.896 42.919 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.718 17.203 42.257 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.592 17.173 43.599 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.165 17.732 42.735 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.064 18.318 45.607 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.621 19.272 43.997 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.523 19.855 46.867 1.00 0.00 H new ATOM 0 HH TYR A 86 18.493 20.841 46.999 1.00 0.00 H new ATOM 1351 N THR A 87 17.765 15.370 41.960 1.00 0.00 N ATOM 1352 CA THR A 87 19.133 15.150 41.500 1.00 0.00 C ATOM 1353 C THR A 87 19.420 16.011 40.276 1.00 0.00 C ATOM 1354 O THR A 87 18.887 15.765 39.195 1.00 0.00 O ATOM 1355 CB THR A 87 19.338 13.677 41.160 1.00 0.00 C ATOM 1356 OG1 THR A 87 18.369 12.885 41.828 1.00 0.00 O ATOM 1357 CG2 THR A 87 20.742 13.221 41.547 1.00 0.00 C ATOM 0 H THR A 87 17.107 15.610 41.219 1.00 0.00 H new ATOM 0 HA THR A 87 19.822 15.430 42.297 1.00 0.00 H new ATOM 0 HB THR A 87 19.221 13.554 40.083 1.00 0.00 H new ATOM 0 HG1 THR A 87 17.499 12.995 41.391 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.865 12.168 41.295 1.00 0.00 H new ATOM 0 HG22 THR A 87 21.479 13.812 41.004 1.00 0.00 H new ATOM 0 HG23 THR A 87 20.886 13.357 42.619 1.00 0.00 H new ATOM 1365 N ILE A 88 20.262 17.023 40.454 1.00 0.00 N ATOM 1366 CA ILE A 88 20.618 17.924 39.363 1.00 0.00 C ATOM 1367 C ILE A 88 21.104 17.134 38.155 1.00 0.00 C ATOM 1368 O ILE A 88 22.068 16.373 38.244 1.00 0.00 O ATOM 1369 CB ILE A 88 21.703 18.894 39.823 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.237 19.665 41.055 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.076 19.860 38.703 1.00 0.00 C ATOM 1372 CD1 ILE A 88 22.015 19.245 42.299 1.00 0.00 C ATOM 0 H ILE A 88 20.711 17.240 41.344 1.00 0.00 H new ATOM 0 HA ILE A 88 19.732 18.489 39.074 1.00 0.00 H new ATOM 0 HB ILE A 88 22.589 18.316 40.085 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.365 20.734 40.887 1.00 0.00 H new ATOM 0 HG13 ILE A 88 20.173 19.492 41.214 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.851 20.542 39.054 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.448 19.298 37.846 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.196 20.432 38.408 1.00 0.00 H new ATOM 0 HD11 ILE A 88 21.660 19.812 43.159 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.866 18.180 42.479 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.076 19.442 42.148 1.00 0.00 H new ATOM 1384 N GLY A 89 20.433 17.323 37.023 1.00 0.00 N ATOM 1385 CA GLY A 89 20.795 16.631 35.790 1.00 0.00 C ATOM 1386 C GLY A 89 19.847 15.470 35.519 1.00 0.00 C ATOM 1387 O GLY A 89 20.278 14.385 35.127 1.00 0.00 O ATOM 0 H GLY A 89 19.634 17.951 36.934 1.00 0.00 H new ATOM 0 HA2 GLY A 89 20.768 17.330 34.954 1.00 0.00 H new ATOM 0 HA3 GLY A 89 21.818 16.261 35.863 1.00 0.00 H new ATOM 1391 N ALA A 90 18.555 15.702 35.728 1.00 0.00 N ATOM 1392 CA ALA A 90 17.547 14.671 35.504 1.00 0.00 C ATOM 1393 C ALA A 90 16.168 15.298 35.335 1.00 0.00 C ATOM 1394 O ALA A 90 15.741 16.113 36.152 1.00 0.00 O ATOM 1395 CB ALA A 90 17.533 13.693 36.675 1.00 0.00 C ATOM 0 H ALA A 90 18.181 16.594 36.052 1.00 0.00 H new ATOM 0 HA ALA A 90 17.799 14.133 34.590 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.778 12.927 36.500 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.512 13.223 36.768 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.299 14.230 37.594 1.00 0.00 H new ATOM 1401 N THR A 91 15.475 14.907 34.270 1.00 0.00 N ATOM 1402 CA THR A 91 14.139 15.424 33.988 1.00 0.00 C ATOM 1403 C THR A 91 13.102 14.678 34.818 1.00 0.00 C ATOM 1404 O THR A 91 13.069 13.448 34.823 1.00 0.00 O ATOM 1405 CB THR A 91 13.826 15.270 32.503 1.00 0.00 C ATOM 1406 OG1 THR A 91 14.911 15.753 31.726 1.00 0.00 O ATOM 1407 CG2 THR A 91 12.547 16.018 32.139 1.00 0.00 C ATOM 0 H THR A 91 15.817 14.232 33.586 1.00 0.00 H new ATOM 0 HA THR A 91 14.106 16.481 34.252 1.00 0.00 H new ATOM 0 HB THR A 91 13.677 14.211 32.290 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.703 15.649 30.774 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.343 15.894 31.075 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.714 15.617 32.717 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.668 17.078 32.364 1.00 0.00 H new ATOM 1415 N TYR A 92 12.260 15.426 35.527 1.00 0.00 N ATOM 1416 CA TYR A 92 11.231 14.825 36.366 1.00 0.00 C ATOM 1417 C TYR A 92 9.835 15.106 35.803 1.00 0.00 C ATOM 1418 O TYR A 92 9.345 14.355 34.959 1.00 0.00 O ATOM 1419 CB TYR A 92 11.359 15.356 37.791 1.00 0.00 C ATOM 1420 CG TYR A 92 12.567 14.814 38.512 1.00 0.00 C ATOM 1421 CD1 TYR A 92 12.597 13.490 38.917 1.00 0.00 C ATOM 1422 CD2 TYR A 92 13.649 15.638 38.770 1.00 0.00 C ATOM 1423 CE1 TYR A 92 13.708 12.993 39.580 1.00 0.00 C ATOM 1424 CE2 TYR A 92 14.758 15.140 39.432 1.00 0.00 C ATOM 1425 CZ TYR A 92 14.783 13.820 39.833 1.00 0.00 C ATOM 1426 OH TYR A 92 15.885 13.325 40.492 1.00 0.00 O ATOM 0 H TYR A 92 12.271 16.446 35.536 1.00 0.00 H new ATOM 0 HA TYR A 92 11.370 13.744 36.377 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.416 16.444 37.764 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.461 15.097 38.352 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.755 12.845 38.716 1.00 0.00 H new ATOM 0 HD2 TYR A 92 13.628 16.671 38.454 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.732 11.961 39.898 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.602 15.783 39.634 1.00 0.00 H new ATOM 0 HH TYR A 92 15.982 12.370 40.295 1.00 0.00 H new ATOM 1436 N ALA A 93 9.193 16.181 36.268 1.00 0.00 N ATOM 1437 CA ALA A 93 7.853 16.536 35.803 1.00 0.00 C ATOM 1438 C ALA A 93 6.906 15.349 35.952 1.00 0.00 C ATOM 1439 O ALA A 93 7.329 14.242 36.283 1.00 0.00 O ATOM 1440 CB ALA A 93 7.899 16.985 34.348 1.00 0.00 C ATOM 0 H ALA A 93 9.580 16.818 36.964 1.00 0.00 H new ATOM 0 HA ALA A 93 7.483 17.359 36.415 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.894 17.246 34.016 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.549 17.855 34.256 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.287 16.176 33.730 1.00 0.00 H new ATOM 1446 N PRO A 94 5.602 15.568 35.714 1.00 0.00 N ATOM 1447 CA PRO A 94 4.589 14.517 35.823 1.00 0.00 C ATOM 1448 C PRO A 94 4.465 13.704 34.540 1.00 0.00 C ATOM 1449 O PRO A 94 4.702 14.270 33.452 1.00 0.00 O ATOM 1450 CB PRO A 94 3.306 15.285 36.102 1.00 0.00 C ATOM 1451 CG PRO A 94 3.518 16.659 35.541 1.00 0.00 C ATOM 1452 CD PRO A 94 5.005 16.852 35.324 1.00 0.00 C ATOM 0 HA PRO A 94 4.835 13.789 36.597 1.00 0.00 H new ATOM 0 HB2 PRO A 94 2.450 14.799 35.633 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.101 15.327 37.172 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.978 16.774 34.601 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.132 17.414 36.226 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.227 17.094 34.284 1.00 0.00 H new ATOM 0 HD3 PRO A 94 5.392 17.671 35.931 1.00 0.00 H new TER 1460 PRO A 94