USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 970 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 81 ASN : amide:sc= -1.15 K(o=-1.2,f=-5.4!) USER MOD Set 1.2: A 85 GLN :FLIP amide:sc= 0 F(o=-2.5,f=-1.2) USER MOD Set 2.1: A 71 THR OG1 : rot 143:sc= -2.04! USER MOD Set 2.2: A 73 HIS : no HD1:sc= -8.72! C(o=-35!,f=-37!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -24.4! C(o=-35!,f=-46!) USER MOD Set 3.1: A 60 ASN : amide:sc= -5.25! C(o=-14!,f=-17!) USER MOD Set 3.2: A 65 ASN : amide:sc= -9.22! C(o=-14!,f=-17!) USER MOD Set 4.1: A 34 TYR OH : rot 150:sc= -1.69! USER MOD Set 4.2: A 61 SER OG : rot 177:sc= 0.601 USER MOD Set 5.1: A 57 SER OG : rot -18:sc= -0.987! USER MOD Set 5.2: A 59 HIS : no HD1:sc= -7.53! C(o=-8.5!,f=-13!) USER MOD Set 6.1: A 50 LYS NZ :NH3+ -102:sc= -0.246 (180deg=-0.849) USER MOD Set 6.2: A 83 TYR OH : rot -100:sc= -3.93! USER MOD Set 7.1: A 35 THR OG1 : rot -66:sc= -3.64! USER MOD Set 7.2: A 36 THR OG1 : rot 180:sc= 0.097 USER MOD Set 7.3: A 39 LYS NZ :NH3+ -108:sc= -2.28! (180deg=-4.56!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.034 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 137:sc= 0.0116 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.89 F(o=-2.8!,f=-1.9) USER MOD Single : A 24 SER OG : rot 180:sc= 0.074 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 27 THR OG1 : rot 50:sc= 0.0384 USER MOD Single : A 30 CYS SG : rot -123:sc= -7.74! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 15:sc= -1.41 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= -0.942 (180deg=-1.23) USER MOD Single : A 48 MET CE :methyl 153:sc= -0.307 (180deg=-1.35) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : A 64 HIS : no HD1:sc= -19! C(o=-19!,f=-19!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -89:sc= 0.623 USER MOD Single : A 89 THR OG1 : rot 25:sc= 0.982! USER MOD Single : A 91 SER OG : rot 160:sc= 0 USER MOD Single : A 95 CYS SG : rot -150:sc= -0.204 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.47) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -120:sc= -7.46 (180deg=-15.7!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -24:sc= 1.1 USER MOD Single : A 114 SER OG : rot 180:sc= -0.213 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 109.797 -5.327 18.113 1.00 0.00 N ATOM 75 CA ASP A 6 109.115 -5.139 16.802 1.00 0.00 C ATOM 76 C ASP A 6 108.978 -3.640 16.509 1.00 0.00 C ATOM 77 O ASP A 6 108.652 -2.868 17.390 1.00 0.00 O ATOM 78 CB ASP A 6 107.725 -5.777 16.856 1.00 0.00 C ATOM 79 CG ASP A 6 107.699 -7.020 15.964 1.00 0.00 C ATOM 80 OD1 ASP A 6 107.680 -6.857 14.755 1.00 0.00 O ATOM 81 OD2 ASP A 6 107.698 -8.114 16.505 1.00 0.00 O ATOM 0 HA ASP A 6 109.702 -5.611 16.014 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.477 -6.048 17.882 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.972 -5.062 16.524 1.00 0.00 H new ATOM 86 N PRO A 7 109.231 -3.270 15.278 1.00 0.00 N ATOM 87 CA PRO A 7 109.144 -1.866 14.839 1.00 0.00 C ATOM 88 C PRO A 7 107.683 -1.471 14.606 1.00 0.00 C ATOM 89 O PRO A 7 106.982 -2.079 13.822 1.00 0.00 O ATOM 90 CB PRO A 7 109.927 -1.852 13.524 1.00 0.00 C ATOM 91 CG PRO A 7 109.928 -3.308 13.000 1.00 0.00 C ATOM 92 CD PRO A 7 109.628 -4.212 14.210 1.00 0.00 C ATOM 0 HA PRO A 7 109.538 -1.162 15.572 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.462 -1.180 12.803 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.945 -1.495 13.682 1.00 0.00 H new ATOM 0 HG2 PRO A 7 109.176 -3.440 12.222 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.892 -3.560 12.558 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.831 -4.922 13.989 1.00 0.00 H new ATOM 0 HD3 PRO A 7 110.503 -4.795 14.498 1.00 0.00 H new ATOM 100 N LYS A 8 107.219 -0.454 15.280 1.00 0.00 N ATOM 101 CA LYS A 8 105.806 -0.021 15.095 1.00 0.00 C ATOM 102 C LYS A 8 105.742 1.061 14.016 1.00 0.00 C ATOM 103 O LYS A 8 104.750 1.746 13.869 1.00 0.00 O ATOM 104 CB LYS A 8 105.268 0.538 16.412 1.00 0.00 C ATOM 105 CG LYS A 8 104.443 -0.536 17.122 1.00 0.00 C ATOM 106 CD LYS A 8 105.225 -1.071 18.324 1.00 0.00 C ATOM 107 CE LYS A 8 104.944 -2.564 18.495 1.00 0.00 C ATOM 108 NZ LYS A 8 104.807 -2.880 19.945 1.00 0.00 N ATOM 0 H LYS A 8 107.757 0.095 15.950 1.00 0.00 H new ATOM 0 HA LYS A 8 105.201 -0.874 14.789 1.00 0.00 H new ATOM 0 HB2 LYS A 8 106.093 0.857 17.048 1.00 0.00 H new ATOM 0 HB3 LYS A 8 104.653 1.418 16.222 1.00 0.00 H new ATOM 0 HG2 LYS A 8 103.491 -0.120 17.451 1.00 0.00 H new ATOM 0 HG3 LYS A 8 104.215 -1.349 16.433 1.00 0.00 H new ATOM 0 HD2 LYS A 8 106.293 -0.906 18.179 1.00 0.00 H new ATOM 0 HD3 LYS A 8 104.939 -0.531 19.227 1.00 0.00 H new ATOM 0 HE2 LYS A 8 104.032 -2.836 17.965 1.00 0.00 H new ATOM 0 HE3 LYS A 8 105.753 -3.150 18.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 104.616 -3.896 20.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 105.689 -2.634 20.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 104.021 -2.331 20.347 1.00 0.00 H new ATOM 122 N ASP A 9 106.793 1.220 13.260 1.00 0.00 N ATOM 123 CA ASP A 9 106.793 2.257 12.191 1.00 0.00 C ATOM 124 C ASP A 9 108.189 2.355 11.573 1.00 0.00 C ATOM 125 O ASP A 9 109.063 1.561 11.861 1.00 0.00 O ATOM 126 CB ASP A 9 106.405 3.610 12.791 1.00 0.00 C ATOM 127 CG ASP A 9 107.106 3.789 14.139 1.00 0.00 C ATOM 128 OD1 ASP A 9 108.324 3.868 14.145 1.00 0.00 O ATOM 129 OD2 ASP A 9 106.414 3.846 15.142 1.00 0.00 O ATOM 0 H ASP A 9 107.652 0.676 13.337 1.00 0.00 H new ATOM 0 HA ASP A 9 106.073 1.982 11.420 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.687 4.415 12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 9 105.324 3.666 12.921 1.00 0.00 H new ATOM 134 N PHE A 10 108.405 3.323 10.726 1.00 0.00 N ATOM 135 CA PHE A 10 109.745 3.472 10.090 1.00 0.00 C ATOM 136 C PHE A 10 110.735 4.042 11.109 1.00 0.00 C ATOM 137 O PHE A 10 110.337 4.603 12.111 1.00 0.00 O ATOM 138 CB PHE A 10 109.636 4.423 8.897 1.00 0.00 C ATOM 139 CG PHE A 10 109.019 3.695 7.728 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.734 3.152 7.841 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.733 3.564 6.531 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.162 2.477 6.755 1.00 0.00 C ATOM 143 CE2 PHE A 10 109.161 2.888 5.446 1.00 0.00 C ATOM 144 CZ PHE A 10 107.876 2.345 5.559 1.00 0.00 C ATOM 0 H PHE A 10 107.712 4.017 10.446 1.00 0.00 H new ATOM 0 HA PHE A 10 110.097 2.498 9.750 1.00 0.00 H new ATOM 0 HB2 PHE A 10 109.028 5.288 9.162 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.623 4.798 8.626 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.184 3.253 8.765 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.724 3.984 6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.170 2.059 6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.711 2.786 4.522 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.435 1.824 4.722 1.00 0.00 H new ATOM 154 N PRO A 11 112.000 3.879 10.819 1.00 0.00 N ATOM 155 CA PRO A 11 113.082 4.368 11.690 1.00 0.00 C ATOM 156 C PRO A 11 113.270 5.876 11.505 1.00 0.00 C ATOM 157 O PRO A 11 112.973 6.425 10.464 1.00 0.00 O ATOM 158 CB PRO A 11 114.313 3.599 11.199 1.00 0.00 C ATOM 159 CG PRO A 11 114.001 3.159 9.749 1.00 0.00 C ATOM 160 CD PRO A 11 112.469 3.194 9.596 1.00 0.00 C ATOM 0 HA PRO A 11 112.885 4.213 12.751 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.203 4.228 11.231 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.510 2.735 11.834 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.477 3.827 9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.386 2.158 9.557 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.170 3.734 8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 11 112.053 2.189 9.517 1.00 0.00 H new ATOM 168 N SER A 12 113.760 6.551 12.509 1.00 0.00 N ATOM 169 CA SER A 12 113.963 8.021 12.385 1.00 0.00 C ATOM 170 C SER A 12 115.064 8.301 11.361 1.00 0.00 C ATOM 171 O SER A 12 115.079 9.330 10.716 1.00 0.00 O ATOM 172 CB SER A 12 114.364 8.599 13.742 1.00 0.00 C ATOM 173 OG SER A 12 115.292 7.724 14.369 1.00 0.00 O ATOM 0 H SER A 12 114.028 6.149 13.407 1.00 0.00 H new ATOM 0 HA SER A 12 113.035 8.488 12.054 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.807 9.586 13.613 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.483 8.725 14.371 1.00 0.00 H new ATOM 0 HG SER A 12 115.553 8.092 15.239 1.00 0.00 H new ATOM 179 N GLU A 13 115.985 7.389 11.204 1.00 0.00 N ATOM 180 CA GLU A 13 117.082 7.603 10.220 1.00 0.00 C ATOM 181 C GLU A 13 116.519 7.513 8.800 1.00 0.00 C ATOM 182 O GLU A 13 117.184 7.834 7.835 1.00 0.00 O ATOM 183 CB GLU A 13 118.155 6.530 10.413 1.00 0.00 C ATOM 184 CG GLU A 13 119.412 6.919 9.634 1.00 0.00 C ATOM 185 CD GLU A 13 120.415 7.581 10.579 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.155 7.596 11.771 1.00 0.00 O ATOM 187 OE2 GLU A 13 121.426 8.063 10.097 1.00 0.00 O ATOM 0 H GLU A 13 116.024 6.507 11.714 1.00 0.00 H new ATOM 0 HA GLU A 13 117.522 8.589 10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 13 118.390 6.422 11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.785 5.564 10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.857 6.035 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.154 7.602 8.825 1.00 0.00 H new ATOM 194 N LEU A 14 115.295 7.080 8.664 1.00 0.00 N ATOM 195 CA LEU A 14 114.686 6.971 7.307 1.00 0.00 C ATOM 196 C LEU A 14 113.386 7.779 7.264 1.00 0.00 C ATOM 197 O LEU A 14 112.671 7.769 6.281 1.00 0.00 O ATOM 198 CB LEU A 14 114.385 5.503 7.000 1.00 0.00 C ATOM 199 CG LEU A 14 114.626 5.233 5.515 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.894 4.395 5.346 1.00 0.00 C ATOM 201 CD2 LEU A 14 113.430 4.470 4.938 1.00 0.00 C ATOM 0 H LEU A 14 114.690 6.797 9.435 1.00 0.00 H new ATOM 0 HA LEU A 14 115.381 7.362 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 14 115.020 4.856 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.352 5.270 7.260 1.00 0.00 H new ATOM 0 HG LEU A 14 114.745 6.180 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.065 4.203 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 14 116.745 4.936 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 14 115.777 3.448 5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 14 113.599 4.276 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 14 113.313 3.524 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 14 112.526 5.067 5.058 1.00 0.00 H new ATOM 213 N LEU A 15 113.078 8.483 8.320 1.00 0.00 N ATOM 214 CA LEU A 15 111.828 9.294 8.337 1.00 0.00 C ATOM 215 C LEU A 15 112.132 10.697 7.811 1.00 0.00 C ATOM 216 O LEU A 15 111.430 11.646 8.097 1.00 0.00 O ATOM 217 CB LEU A 15 111.306 9.392 9.771 1.00 0.00 C ATOM 218 CG LEU A 15 110.658 8.067 10.167 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.701 7.911 11.687 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.205 8.056 9.692 1.00 0.00 C ATOM 0 H LEU A 15 113.638 8.531 9.171 1.00 0.00 H new ATOM 0 HA LEU A 15 111.075 8.821 7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.124 9.627 10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.581 10.202 9.851 1.00 0.00 H new ATOM 0 HG LEU A 15 111.200 7.242 9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.238 6.965 11.969 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.737 7.923 12.025 1.00 0.00 H new ATOM 0 HD13 LEU A 15 110.158 8.733 12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.738 7.112 9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.664 8.881 10.156 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.176 8.168 8.608 1.00 0.00 H new ATOM 232 N SER A 16 113.179 10.832 7.048 1.00 0.00 N ATOM 233 CA SER A 16 113.540 12.171 6.505 1.00 0.00 C ATOM 234 C SER A 16 112.774 12.427 5.205 1.00 0.00 C ATOM 235 O SER A 16 112.866 13.488 4.622 1.00 0.00 O ATOM 236 CB SER A 16 115.042 12.220 6.226 1.00 0.00 C ATOM 237 OG SER A 16 115.639 13.216 7.045 1.00 0.00 O ATOM 0 H SER A 16 113.802 10.072 6.776 1.00 0.00 H new ATOM 0 HA SER A 16 113.278 12.937 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.493 11.248 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.221 12.442 5.174 1.00 0.00 H new ATOM 0 HG SER A 16 116.603 13.249 6.870 1.00 0.00 H new ATOM 243 N PHE A 17 112.016 11.470 4.746 1.00 0.00 N ATOM 244 CA PHE A 17 111.251 11.675 3.486 1.00 0.00 C ATOM 245 C PHE A 17 110.101 10.673 3.414 1.00 0.00 C ATOM 246 O PHE A 17 110.115 9.752 2.623 1.00 0.00 O ATOM 247 CB PHE A 17 112.172 11.482 2.280 1.00 0.00 C ATOM 248 CG PHE A 17 113.229 10.446 2.590 1.00 0.00 C ATOM 249 CD1 PHE A 17 112.933 9.353 3.415 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.507 10.582 2.042 1.00 0.00 C ATOM 251 CE1 PHE A 17 113.920 8.399 3.689 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.494 9.630 2.312 1.00 0.00 C ATOM 253 CZ PHE A 17 115.202 8.537 3.137 1.00 0.00 C ATOM 0 H PHE A 17 111.894 10.559 5.187 1.00 0.00 H new ATOM 0 HA PHE A 17 110.851 12.689 3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 17 111.589 11.169 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 17 112.646 12.429 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 17 111.945 9.247 3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 17 114.733 11.426 1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.694 7.556 4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.480 9.737 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 17 115.963 7.801 3.348 1.00 0.00 H new ATOM 263 N LEU A 18 109.102 10.849 4.233 1.00 0.00 N ATOM 264 CA LEU A 18 107.949 9.910 4.211 1.00 0.00 C ATOM 265 C LEU A 18 106.648 10.707 4.104 1.00 0.00 C ATOM 266 O LEU A 18 106.658 11.917 3.990 1.00 0.00 O ATOM 267 CB LEU A 18 107.943 9.085 5.497 1.00 0.00 C ATOM 268 CG LEU A 18 107.616 7.632 5.163 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.804 6.987 4.447 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.323 6.868 6.455 1.00 0.00 C ATOM 0 H LEU A 18 109.035 11.603 4.916 1.00 0.00 H new ATOM 0 HA LEU A 18 108.035 9.242 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.914 9.148 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.207 9.484 6.195 1.00 0.00 H new ATOM 0 HG LEU A 18 106.742 7.598 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 18 108.567 5.950 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.013 7.531 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 18 109.680 7.020 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.089 5.830 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 18 108.197 6.904 7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 18 106.474 7.325 6.963 1.00 0.00 H new ATOM 282 N SER A 19 105.527 10.040 4.136 1.00 0.00 N ATOM 283 CA SER A 19 104.228 10.763 4.032 1.00 0.00 C ATOM 284 C SER A 19 103.654 10.989 5.432 1.00 0.00 C ATOM 285 O SER A 19 102.971 11.964 5.683 1.00 0.00 O ATOM 286 CB SER A 19 103.247 9.929 3.208 1.00 0.00 C ATOM 287 OG SER A 19 102.416 9.178 4.084 1.00 0.00 O ATOM 0 H SER A 19 105.454 9.027 4.230 1.00 0.00 H new ATOM 0 HA SER A 19 104.386 11.726 3.546 1.00 0.00 H new ATOM 0 HB2 SER A 19 102.638 10.579 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.791 9.260 2.542 1.00 0.00 H new ATOM 0 HG SER A 19 101.489 9.219 3.770 1.00 0.00 H new ATOM 293 N HIS A 20 103.922 10.099 6.347 1.00 0.00 N ATOM 294 CA HIS A 20 103.389 10.266 7.729 1.00 0.00 C ATOM 295 C HIS A 20 101.862 10.348 7.680 1.00 0.00 C ATOM 296 O HIS A 20 101.253 11.168 8.339 1.00 0.00 O ATOM 297 CB HIS A 20 103.948 11.552 8.341 1.00 0.00 C ATOM 298 CG HIS A 20 105.423 11.643 8.059 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.197 12.653 7.544 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.290 10.593 8.314 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.524 12.239 7.480 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.524 10.991 7.956 1.00 0.00 N flip ATOM 0 H HIS A 20 104.487 9.263 6.198 1.00 0.00 H new ATOM 0 HA HIS A 20 103.689 9.414 8.338 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.434 12.418 7.925 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.771 11.562 9.417 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.024 9.631 8.725 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.371 12.805 7.122 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.358 10.410 8.038 1.00 0.00 H new ATOM 310 N ALA A 21 101.237 9.506 6.903 1.00 0.00 N ATOM 311 CA ALA A 21 99.751 9.539 6.813 1.00 0.00 C ATOM 312 C ALA A 21 99.265 8.369 5.958 1.00 0.00 C ATOM 313 O ALA A 21 99.790 8.104 4.894 1.00 0.00 O ATOM 314 CB ALA A 21 99.308 10.857 6.174 1.00 0.00 C ATOM 0 H ALA A 21 101.692 8.797 6.327 1.00 0.00 H new ATOM 0 HA ALA A 21 99.325 9.459 7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.220 10.882 6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.654 11.691 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.734 10.938 5.174 1.00 0.00 H new ATOM 320 N VAL A 22 98.265 7.667 6.413 1.00 0.00 N ATOM 321 CA VAL A 22 97.745 6.514 5.627 1.00 0.00 C ATOM 322 C VAL A 22 96.454 6.924 4.916 1.00 0.00 C ATOM 323 O VAL A 22 96.113 6.398 3.875 1.00 0.00 O ATOM 324 CB VAL A 22 97.459 5.343 6.569 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.738 4.234 5.800 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.778 4.803 7.125 1.00 0.00 C ATOM 0 H VAL A 22 97.785 7.842 7.296 1.00 0.00 H new ATOM 0 HA VAL A 22 98.487 6.213 4.888 1.00 0.00 H new ATOM 0 HB VAL A 22 96.830 5.683 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.534 3.399 6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.798 4.618 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.367 3.893 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.575 3.969 7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.407 4.463 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 22 99.292 5.593 7.673 1.00 0.00 H new ATOM 336 N PHE A 23 95.732 7.860 5.469 1.00 0.00 N ATOM 337 CA PHE A 23 94.463 8.304 4.824 1.00 0.00 C ATOM 338 C PHE A 23 94.646 9.712 4.256 1.00 0.00 C ATOM 339 O PHE A 23 93.892 10.616 4.557 1.00 0.00 O ATOM 340 CB PHE A 23 93.340 8.316 5.863 1.00 0.00 C ATOM 341 CG PHE A 23 93.094 6.910 6.356 1.00 0.00 C ATOM 342 CD1 PHE A 23 94.005 6.306 7.231 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.955 6.211 5.941 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.777 5.003 7.690 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.726 4.908 6.399 1.00 0.00 C ATOM 346 CZ PHE A 23 92.638 4.304 7.274 1.00 0.00 C ATOM 0 H PHE A 23 95.966 8.337 6.340 1.00 0.00 H new ATOM 0 HA PHE A 23 94.205 7.617 4.018 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.609 8.963 6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.429 8.724 5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.884 6.845 7.552 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.252 6.677 5.267 1.00 0.00 H new ATOM 0 HE1 PHE A 23 94.480 4.537 8.365 1.00 0.00 H new ATOM 0 HE2 PHE A 23 90.847 4.369 6.078 1.00 0.00 H new ATOM 0 HZ PHE A 23 92.462 3.299 7.628 1.00 0.00 H new ATOM 356 N SER A 24 95.642 9.905 3.435 1.00 0.00 N ATOM 357 CA SER A 24 95.872 11.255 2.848 1.00 0.00 C ATOM 358 C SER A 24 95.111 11.372 1.526 1.00 0.00 C ATOM 359 O SER A 24 94.842 10.390 0.864 1.00 0.00 O ATOM 360 CB SER A 24 97.366 11.453 2.594 1.00 0.00 C ATOM 361 OG SER A 24 97.991 10.184 2.452 1.00 0.00 O ATOM 0 H SER A 24 96.306 9.187 3.146 1.00 0.00 H new ATOM 0 HA SER A 24 95.517 12.018 3.541 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.518 12.049 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.817 12.003 3.420 1.00 0.00 H new ATOM 0 HG SER A 24 98.949 10.308 2.287 1.00 0.00 H new ATOM 367 N ASN A 25 94.763 12.569 1.136 1.00 0.00 N ATOM 368 CA ASN A 25 94.022 12.749 -0.143 1.00 0.00 C ATOM 369 C ASN A 25 95.018 12.987 -1.279 1.00 0.00 C ATOM 370 O ASN A 25 94.678 13.532 -2.311 1.00 0.00 O ATOM 371 CB ASN A 25 93.085 13.954 -0.024 1.00 0.00 C ATOM 372 CG ASN A 25 91.635 13.469 0.040 1.00 0.00 C ATOM 373 OD1 ASN A 25 91.280 12.691 0.904 1.00 0.00 O ATOM 374 ND2 ASN A 25 90.775 13.900 -0.843 1.00 0.00 N ATOM 0 H ASN A 25 94.960 13.429 1.648 1.00 0.00 H new ATOM 0 HA ASN A 25 93.437 11.854 -0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.327 14.529 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.220 14.619 -0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 25 89.806 13.584 -0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.072 14.553 -1.568 1.00 0.00 H new ATOM 381 N ARG A 26 96.245 12.583 -1.099 1.00 0.00 N ATOM 382 CA ARG A 26 97.262 12.786 -2.169 1.00 0.00 C ATOM 383 C ARG A 26 97.388 11.510 -3.003 1.00 0.00 C ATOM 384 O ARG A 26 97.337 10.411 -2.487 1.00 0.00 O ATOM 385 CB ARG A 26 98.614 13.115 -1.533 1.00 0.00 C ATOM 386 CG ARG A 26 98.604 14.561 -1.032 1.00 0.00 C ATOM 387 CD ARG A 26 99.848 14.815 -0.179 1.00 0.00 C ATOM 388 NE ARG A 26 99.640 16.035 0.651 1.00 0.00 N ATOM 389 CZ ARG A 26 100.512 16.358 1.565 1.00 0.00 C ATOM 390 NH1 ARG A 26 101.680 15.777 1.589 1.00 0.00 N ATOM 391 NH2 ARG A 26 100.216 17.265 2.457 1.00 0.00 N ATOM 0 H ARG A 26 96.588 12.121 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 26 96.952 13.610 -2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.814 12.434 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 26 99.414 12.977 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.583 15.249 -1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 26 97.704 14.748 -0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 26 100.045 13.955 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.721 14.942 -0.819 1.00 0.00 H new ATOM 0 HE ARG A 26 98.816 16.617 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 26 101.912 15.069 0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 26 102.361 16.031 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 26 99.303 17.720 2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 26 100.898 17.518 3.172 1.00 0.00 H new ATOM 405 N THR A 27 97.553 11.646 -4.290 1.00 0.00 N ATOM 406 CA THR A 27 97.683 10.441 -5.157 1.00 0.00 C ATOM 407 C THR A 27 99.152 10.241 -5.535 1.00 0.00 C ATOM 408 O THR A 27 99.677 10.916 -6.399 1.00 0.00 O ATOM 409 CB THR A 27 96.849 10.634 -6.425 1.00 0.00 C ATOM 410 OG1 THR A 27 96.924 11.992 -6.838 1.00 0.00 O ATOM 411 CG2 THR A 27 95.392 10.264 -6.143 1.00 0.00 C ATOM 0 H THR A 27 97.603 12.540 -4.779 1.00 0.00 H new ATOM 0 HA THR A 27 97.325 9.564 -4.618 1.00 0.00 H new ATOM 0 HB THR A 27 97.237 9.992 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 27 97.862 12.273 -6.868 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.800 10.402 -7.048 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.336 9.222 -5.828 1.00 0.00 H new ATOM 0 HG23 THR A 27 95.001 10.904 -5.352 1.00 0.00 H new ATOM 419 N LEU A 28 99.820 9.320 -4.895 1.00 0.00 N ATOM 420 CA LEU A 28 101.255 9.081 -5.219 1.00 0.00 C ATOM 421 C LEU A 28 101.391 7.766 -5.991 1.00 0.00 C ATOM 422 O LEU A 28 100.529 6.913 -5.940 1.00 0.00 O ATOM 423 CB LEU A 28 102.065 8.994 -3.922 1.00 0.00 C ATOM 424 CG LEU A 28 101.668 10.141 -2.990 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.593 9.624 -1.552 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.714 11.254 -3.077 1.00 0.00 C ATOM 0 H LEU A 28 99.435 8.724 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 28 101.631 9.903 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 28 101.886 8.036 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 28 103.131 9.044 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 28 100.695 10.533 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 28 101.310 10.440 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.849 8.830 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 28 102.566 9.234 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 28 102.432 12.071 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 28 103.687 10.863 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 28 102.770 11.621 -4.102 1.00 0.00 H new ATOM 438 N ALA A 29 102.472 7.594 -6.702 1.00 0.00 N ATOM 439 CA ALA A 29 102.667 6.333 -7.473 1.00 0.00 C ATOM 440 C ALA A 29 103.897 5.596 -6.930 1.00 0.00 C ATOM 441 O ALA A 29 104.372 4.643 -7.515 1.00 0.00 O ATOM 442 CB ALA A 29 102.883 6.668 -8.950 1.00 0.00 C ATOM 0 H ALA A 29 103.229 8.273 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 29 101.786 5.700 -7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.026 5.747 -9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.011 7.198 -9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.766 7.298 -9.055 1.00 0.00 H new ATOM 448 N CYS A 30 104.414 6.034 -5.813 1.00 0.00 N ATOM 449 CA CYS A 30 105.608 5.364 -5.226 1.00 0.00 C ATOM 450 C CYS A 30 105.350 5.101 -3.743 1.00 0.00 C ATOM 451 O CYS A 30 104.887 5.966 -3.021 1.00 0.00 O ATOM 452 CB CYS A 30 106.829 6.271 -5.375 1.00 0.00 C ATOM 453 SG CYS A 30 108.230 5.541 -4.491 1.00 0.00 S ATOM 0 H CYS A 30 104.059 6.829 -5.281 1.00 0.00 H new ATOM 0 HA CYS A 30 105.793 4.423 -5.744 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.076 6.397 -6.429 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.610 7.262 -4.978 1.00 0.00 H new ATOM 0 HG CYS A 30 108.678 6.388 -3.613 1.00 0.00 H new ATOM 459 N PHE A 31 105.635 3.919 -3.275 1.00 0.00 N ATOM 460 CA PHE A 31 105.384 3.632 -1.835 1.00 0.00 C ATOM 461 C PHE A 31 106.488 2.742 -1.264 1.00 0.00 C ATOM 462 O PHE A 31 107.150 2.011 -1.976 1.00 0.00 O ATOM 463 CB PHE A 31 104.039 2.917 -1.680 1.00 0.00 C ATOM 464 CG PHE A 31 103.010 3.532 -2.601 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.132 3.388 -3.989 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.923 4.233 -2.066 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.172 3.947 -4.839 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.960 4.788 -2.913 1.00 0.00 C ATOM 469 CZ PHE A 31 101.083 4.647 -4.300 1.00 0.00 C ATOM 0 H PHE A 31 106.025 3.149 -3.818 1.00 0.00 H new ATOM 0 HA PHE A 31 105.371 4.577 -1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.154 1.857 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.700 2.986 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.968 2.845 -4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.828 4.345 -0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.269 3.840 -5.909 1.00 0.00 H new ATOM 0 HE2 PHE A 31 100.121 5.326 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.340 5.077 -4.955 1.00 0.00 H new ATOM 479 N ALA A 32 106.675 2.793 0.027 1.00 0.00 N ATOM 480 CA ALA A 32 107.716 1.950 0.675 1.00 0.00 C ATOM 481 C ALA A 32 107.058 1.087 1.750 1.00 0.00 C ATOM 482 O ALA A 32 106.663 1.570 2.793 1.00 0.00 O ATOM 483 CB ALA A 32 108.775 2.844 1.323 1.00 0.00 C ATOM 0 H ALA A 32 106.146 3.388 0.664 1.00 0.00 H new ATOM 0 HA ALA A 32 108.190 1.316 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.535 2.223 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.240 3.469 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.305 3.478 2.075 1.00 0.00 H new ATOM 489 N ILE A 33 106.932 -0.187 1.505 1.00 0.00 N ATOM 490 CA ILE A 33 106.297 -1.073 2.517 1.00 0.00 C ATOM 491 C ILE A 33 107.341 -1.483 3.556 1.00 0.00 C ATOM 492 O ILE A 33 108.459 -1.822 3.226 1.00 0.00 O ATOM 493 CB ILE A 33 105.742 -2.322 1.830 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.549 -1.935 0.954 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.289 -3.328 2.890 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.644 -2.661 -0.389 1.00 0.00 C ATOM 0 H ILE A 33 107.240 -0.651 0.651 1.00 0.00 H new ATOM 0 HA ILE A 33 105.483 -0.540 3.008 1.00 0.00 H new ATOM 0 HB ILE A 33 106.518 -2.770 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.617 -2.196 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.535 -0.857 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.893 -4.218 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.138 -3.604 3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.513 -2.879 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.794 -2.385 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 33 105.569 -2.378 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.637 -3.738 -0.222 1.00 0.00 H new ATOM 508 N TYR A 34 106.985 -1.459 4.809 1.00 0.00 N ATOM 509 CA TYR A 34 107.957 -1.856 5.865 1.00 0.00 C ATOM 510 C TYR A 34 107.365 -3.011 6.666 1.00 0.00 C ATOM 511 O TYR A 34 106.491 -2.823 7.489 1.00 0.00 O ATOM 512 CB TYR A 34 108.220 -0.670 6.795 1.00 0.00 C ATOM 513 CG TYR A 34 109.140 -1.100 7.912 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.070 -2.126 7.701 1.00 0.00 C ATOM 515 CD2 TYR A 34 109.066 -0.471 9.161 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.923 -2.522 8.735 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.920 -0.866 10.195 1.00 0.00 C ATOM 518 CZ TYR A 34 110.849 -1.891 9.984 1.00 0.00 C ATOM 519 OH TYR A 34 111.692 -2.281 11.005 1.00 0.00 O ATOM 0 H TYR A 34 106.064 -1.182 5.148 1.00 0.00 H new ATOM 0 HA TYR A 34 108.897 -2.164 5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.668 0.151 6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.280 -0.301 7.205 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.128 -2.612 6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.349 0.320 9.326 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.639 -3.314 8.571 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.863 -0.380 11.158 1.00 0.00 H new ATOM 0 HH TYR A 34 111.874 -1.516 11.590 1.00 0.00 H new ATOM 529 N THR A 35 107.821 -4.209 6.431 1.00 0.00 N ATOM 530 CA THR A 35 107.261 -5.369 7.181 1.00 0.00 C ATOM 531 C THR A 35 108.273 -6.517 7.192 1.00 0.00 C ATOM 532 O THR A 35 109.339 -6.427 6.616 1.00 0.00 O ATOM 533 CB THR A 35 105.947 -5.843 6.526 1.00 0.00 C ATOM 534 OG1 THR A 35 106.109 -7.167 6.038 1.00 0.00 O ATOM 535 CG2 THR A 35 105.564 -4.921 5.361 1.00 0.00 C ATOM 0 H THR A 35 108.552 -4.435 5.757 1.00 0.00 H new ATOM 0 HA THR A 35 107.055 -5.058 8.205 1.00 0.00 H new ATOM 0 HB THR A 35 105.156 -5.816 7.275 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.760 -7.168 5.305 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.635 -5.270 4.911 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.428 -3.905 5.731 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.356 -4.932 4.613 1.00 0.00 H new ATOM 543 N THR A 36 107.942 -7.596 7.845 1.00 0.00 N ATOM 544 CA THR A 36 108.874 -8.755 7.902 1.00 0.00 C ATOM 545 C THR A 36 109.373 -9.086 6.493 1.00 0.00 C ATOM 546 O THR A 36 108.653 -8.964 5.520 1.00 0.00 O ATOM 547 CB THR A 36 108.141 -9.967 8.483 1.00 0.00 C ATOM 548 OG1 THR A 36 106.916 -10.154 7.790 1.00 0.00 O ATOM 549 CG2 THR A 36 107.858 -9.731 9.969 1.00 0.00 C ATOM 0 H THR A 36 107.062 -7.725 8.344 1.00 0.00 H new ATOM 0 HA THR A 36 109.725 -8.505 8.535 1.00 0.00 H new ATOM 0 HB THR A 36 108.762 -10.856 8.371 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.446 -10.931 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.336 -10.594 10.382 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.799 -9.588 10.500 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.237 -8.843 10.085 1.00 0.00 H new ATOM 557 N LYS A 37 110.603 -9.507 6.380 1.00 0.00 N ATOM 558 CA LYS A 37 111.156 -9.849 5.045 1.00 0.00 C ATOM 559 C LYS A 37 110.276 -10.913 4.385 1.00 0.00 C ATOM 560 O LYS A 37 109.969 -10.839 3.214 1.00 0.00 O ATOM 561 CB LYS A 37 112.570 -10.399 5.222 1.00 0.00 C ATOM 562 CG LYS A 37 112.513 -11.715 6.003 1.00 0.00 C ATOM 563 CD LYS A 37 113.933 -12.149 6.374 1.00 0.00 C ATOM 564 CE LYS A 37 113.879 -13.446 7.183 1.00 0.00 C ATOM 565 NZ LYS A 37 115.070 -13.524 8.077 1.00 0.00 N ATOM 0 H LYS A 37 111.249 -9.628 7.160 1.00 0.00 H new ATOM 0 HA LYS A 37 111.179 -8.959 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 37 113.033 -10.561 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.189 -9.676 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.912 -11.590 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 37 112.031 -12.486 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.526 -12.296 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.423 -11.367 6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 37 112.964 -13.480 7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.857 -14.305 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 115.034 -14.406 8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.937 -13.510 7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.071 -12.711 8.726 1.00 0.00 H new ATOM 579 N GLU A 38 109.876 -11.907 5.130 1.00 0.00 N ATOM 580 CA GLU A 38 109.026 -12.982 4.553 1.00 0.00 C ATOM 581 C GLU A 38 107.806 -12.371 3.860 1.00 0.00 C ATOM 582 O GLU A 38 107.290 -12.912 2.903 1.00 0.00 O ATOM 583 CB GLU A 38 108.559 -13.916 5.672 1.00 0.00 C ATOM 584 CG GLU A 38 108.889 -15.363 5.301 1.00 0.00 C ATOM 585 CD GLU A 38 110.362 -15.645 5.606 1.00 0.00 C ATOM 586 OE1 GLU A 38 110.908 -14.970 6.463 1.00 0.00 O ATOM 587 OE2 GLU A 38 110.918 -16.530 4.977 1.00 0.00 O ATOM 0 H GLU A 38 110.103 -12.020 6.118 1.00 0.00 H new ATOM 0 HA GLU A 38 109.608 -13.544 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 38 109.047 -13.650 6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.486 -13.805 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 38 108.253 -16.048 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.686 -15.534 4.244 1.00 0.00 H new ATOM 594 N LYS A 39 107.335 -11.250 4.336 1.00 0.00 N ATOM 595 CA LYS A 39 106.145 -10.618 3.699 1.00 0.00 C ATOM 596 C LYS A 39 106.562 -9.949 2.390 1.00 0.00 C ATOM 597 O LYS A 39 106.063 -10.272 1.330 1.00 0.00 O ATOM 598 CB LYS A 39 105.561 -9.565 4.642 1.00 0.00 C ATOM 599 CG LYS A 39 104.113 -9.276 4.246 1.00 0.00 C ATOM 600 CD LYS A 39 103.370 -8.673 5.439 1.00 0.00 C ATOM 601 CE LYS A 39 103.299 -9.701 6.569 1.00 0.00 C ATOM 602 NZ LYS A 39 103.892 -9.119 7.806 1.00 0.00 N ATOM 0 H LYS A 39 107.721 -10.747 5.135 1.00 0.00 H new ATOM 0 HA LYS A 39 105.395 -11.382 3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.604 -9.919 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.152 -8.650 4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.086 -8.588 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.622 -10.195 3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.881 -7.774 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 39 102.365 -8.374 5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 39 102.263 -9.988 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.836 -10.606 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 104.810 -9.570 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 104.029 -8.096 7.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 103.252 -9.284 8.609 1.00 0.00 H new ATOM 616 N ALA A 40 107.468 -9.014 2.454 1.00 0.00 N ATOM 617 CA ALA A 40 107.911 -8.323 1.211 1.00 0.00 C ATOM 618 C ALA A 40 108.218 -9.359 0.127 1.00 0.00 C ATOM 619 O ALA A 40 108.023 -9.119 -1.048 1.00 0.00 O ATOM 620 CB ALA A 40 109.171 -7.507 1.505 1.00 0.00 C ATOM 0 H ALA A 40 107.921 -8.699 3.312 1.00 0.00 H new ATOM 0 HA ALA A 40 107.118 -7.661 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.497 -7.001 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.954 -6.767 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.962 -8.171 1.853 1.00 0.00 H new ATOM 626 N ALA A 41 108.702 -10.508 0.508 1.00 0.00 N ATOM 627 CA ALA A 41 109.024 -11.553 -0.504 1.00 0.00 C ATOM 628 C ALA A 41 107.772 -11.882 -1.317 1.00 0.00 C ATOM 629 O ALA A 41 107.808 -11.960 -2.528 1.00 0.00 O ATOM 630 CB ALA A 41 109.516 -12.816 0.208 1.00 0.00 C ATOM 0 H ALA A 41 108.889 -10.769 1.476 1.00 0.00 H new ATOM 0 HA ALA A 41 109.802 -11.184 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.752 -13.582 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.410 -12.583 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.737 -13.184 0.876 1.00 0.00 H new ATOM 636 N LEU A 42 106.666 -12.076 -0.657 1.00 0.00 N ATOM 637 CA LEU A 42 105.409 -12.402 -1.388 1.00 0.00 C ATOM 638 C LEU A 42 104.926 -11.169 -2.157 1.00 0.00 C ATOM 639 O LEU A 42 104.743 -11.208 -3.357 1.00 0.00 O ATOM 640 CB LEU A 42 104.334 -12.831 -0.385 1.00 0.00 C ATOM 641 CG LEU A 42 104.272 -14.359 -0.327 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.596 -14.832 1.092 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.865 -14.826 -0.709 1.00 0.00 C ATOM 0 H LEU A 42 106.577 -12.023 0.358 1.00 0.00 H new ATOM 0 HA LEU A 42 105.599 -13.214 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.561 -12.428 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.365 -12.428 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 42 104.998 -14.778 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.551 -15.920 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 42 105.597 -14.500 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.871 -14.413 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.819 -15.914 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.140 -14.406 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 42 102.632 -14.491 -1.720 1.00 0.00 H new ATOM 655 N LEU A 43 104.716 -10.075 -1.476 1.00 0.00 N ATOM 656 CA LEU A 43 104.243 -8.844 -2.174 1.00 0.00 C ATOM 657 C LEU A 43 105.187 -8.520 -3.334 1.00 0.00 C ATOM 658 O LEU A 43 104.835 -7.808 -4.253 1.00 0.00 O ATOM 659 CB LEU A 43 104.220 -7.674 -1.188 1.00 0.00 C ATOM 660 CG LEU A 43 103.426 -8.071 0.058 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.142 -6.826 0.899 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.101 -8.716 -0.361 1.00 0.00 C ATOM 0 H LEU A 43 104.851 -9.980 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 43 103.238 -9.010 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.238 -7.398 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.769 -6.799 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 43 104.006 -8.783 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.576 -7.108 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.084 -6.367 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.563 -6.114 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.537 -8.998 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.520 -8.005 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.302 -9.604 -0.960 1.00 0.00 H new ATOM 674 N TYR A 44 106.381 -9.040 -3.303 1.00 0.00 N ATOM 675 CA TYR A 44 107.341 -8.766 -4.408 1.00 0.00 C ATOM 676 C TYR A 44 106.836 -9.433 -5.691 1.00 0.00 C ATOM 677 O TYR A 44 106.602 -8.784 -6.692 1.00 0.00 O ATOM 678 CB TYR A 44 108.715 -9.335 -4.037 1.00 0.00 C ATOM 679 CG TYR A 44 109.768 -8.783 -4.970 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.020 -9.416 -6.193 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.495 -7.640 -4.612 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.996 -8.909 -7.056 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.473 -7.134 -5.477 1.00 0.00 C ATOM 684 CZ TYR A 44 111.724 -7.768 -6.699 1.00 0.00 C ATOM 685 OH TYR A 44 112.687 -7.269 -7.552 1.00 0.00 O ATOM 0 H TYR A 44 106.734 -9.643 -2.560 1.00 0.00 H new ATOM 0 HA TYR A 44 107.426 -7.691 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.959 -9.078 -3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.697 -10.423 -4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.460 -10.297 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.301 -7.150 -3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.189 -9.398 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.034 -6.254 -5.201 1.00 0.00 H new ATOM 0 HH TYR A 44 112.575 -7.667 -8.440 1.00 0.00 H new ATOM 695 N LYS A 45 106.666 -10.728 -5.665 1.00 0.00 N ATOM 696 CA LYS A 45 106.177 -11.444 -6.877 1.00 0.00 C ATOM 697 C LYS A 45 104.714 -11.081 -7.143 1.00 0.00 C ATOM 698 O LYS A 45 104.202 -11.289 -8.226 1.00 0.00 O ATOM 699 CB LYS A 45 106.288 -12.953 -6.653 1.00 0.00 C ATOM 700 CG LYS A 45 107.482 -13.501 -7.436 1.00 0.00 C ATOM 701 CD LYS A 45 108.059 -14.713 -6.703 1.00 0.00 C ATOM 702 CE LYS A 45 107.058 -15.867 -6.758 1.00 0.00 C ATOM 703 NZ LYS A 45 107.285 -16.780 -5.603 1.00 0.00 N ATOM 0 H LYS A 45 106.845 -11.321 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 45 106.783 -11.151 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.408 -13.165 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.371 -13.447 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 45 107.172 -13.785 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 45 108.245 -12.730 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.002 -15.013 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 45 108.276 -14.455 -5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 45 106.039 -15.480 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 45 107.169 -16.414 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 106.603 -17.565 -5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 108.252 -17.159 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 107.158 -16.254 -4.715 1.00 0.00 H new ATOM 717 N LYS A 46 104.033 -10.544 -6.167 1.00 0.00 N ATOM 718 CA LYS A 46 102.603 -10.178 -6.375 1.00 0.00 C ATOM 719 C LYS A 46 102.514 -8.809 -7.055 1.00 0.00 C ATOM 720 O LYS A 46 102.159 -8.706 -8.211 1.00 0.00 O ATOM 721 CB LYS A 46 101.886 -10.127 -5.025 1.00 0.00 C ATOM 722 CG LYS A 46 101.229 -11.480 -4.746 1.00 0.00 C ATOM 723 CD LYS A 46 100.052 -11.291 -3.789 1.00 0.00 C ATOM 724 CE LYS A 46 100.438 -11.799 -2.398 1.00 0.00 C ATOM 725 NZ LYS A 46 99.256 -11.715 -1.494 1.00 0.00 N ATOM 0 H LYS A 46 104.403 -10.344 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 46 102.128 -10.926 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.595 -9.885 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.133 -9.339 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 46 100.884 -11.927 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 46 101.956 -12.166 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 46 99.776 -10.238 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 46 99.180 -11.832 -4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.790 -12.829 -2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 46 101.259 -11.205 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.552 -11.913 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.847 -10.760 -1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 98.543 -12.413 -1.789 1.00 0.00 H new ATOM 739 N ILE A 47 102.827 -7.758 -6.348 1.00 0.00 N ATOM 740 CA ILE A 47 102.756 -6.400 -6.961 1.00 0.00 C ATOM 741 C ILE A 47 103.533 -6.391 -8.281 1.00 0.00 C ATOM 742 O ILE A 47 103.272 -5.591 -9.157 1.00 0.00 O ATOM 743 CB ILE A 47 103.371 -5.371 -6.010 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.657 -5.455 -4.640 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.237 -3.974 -6.630 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.019 -4.111 -4.246 1.00 0.00 C ATOM 0 H ILE A 47 103.128 -7.780 -5.374 1.00 0.00 H new ATOM 0 HA ILE A 47 101.712 -6.147 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 47 104.430 -5.576 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 47 101.887 -6.226 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.372 -5.756 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.673 -3.234 -5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.760 -3.949 -7.586 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.183 -3.745 -6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.528 -4.211 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.793 -3.346 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.284 -3.823 -4.998 1.00 0.00 H new ATOM 758 N MET A 48 104.492 -7.269 -8.423 1.00 0.00 N ATOM 759 CA MET A 48 105.296 -7.311 -9.682 1.00 0.00 C ATOM 760 C MET A 48 104.384 -7.100 -10.894 1.00 0.00 C ATOM 761 O MET A 48 104.763 -6.475 -11.865 1.00 0.00 O ATOM 762 CB MET A 48 105.988 -8.670 -9.799 1.00 0.00 C ATOM 763 CG MET A 48 107.224 -8.539 -10.693 1.00 0.00 C ATOM 764 SD MET A 48 108.084 -10.130 -10.773 1.00 0.00 S ATOM 765 CE MET A 48 109.689 -9.550 -10.172 1.00 0.00 C ATOM 0 H MET A 48 104.754 -7.960 -7.720 1.00 0.00 H new ATOM 0 HA MET A 48 106.043 -6.518 -9.654 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.277 -9.029 -8.811 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.300 -9.405 -10.217 1.00 0.00 H new ATOM 0 HG2 MET A 48 106.930 -8.222 -11.694 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.891 -7.772 -10.299 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.217 -10.374 -9.692 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.279 -9.180 -11.010 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.539 -8.746 -9.451 1.00 0.00 H new ATOM 775 N GLU A 49 103.187 -7.620 -10.851 1.00 0.00 N ATOM 776 CA GLU A 49 102.259 -7.449 -12.004 1.00 0.00 C ATOM 777 C GLU A 49 101.002 -6.703 -11.551 1.00 0.00 C ATOM 778 O GLU A 49 100.453 -5.898 -12.277 1.00 0.00 O ATOM 779 CB GLU A 49 101.868 -8.825 -12.549 1.00 0.00 C ATOM 780 CG GLU A 49 103.132 -9.636 -12.843 1.00 0.00 C ATOM 781 CD GLU A 49 102.743 -11.024 -13.354 1.00 0.00 C ATOM 782 OE1 GLU A 49 102.275 -11.819 -12.556 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.921 -11.270 -14.536 1.00 0.00 O ATOM 0 H GLU A 49 102.812 -8.155 -10.068 1.00 0.00 H new ATOM 0 HA GLU A 49 102.756 -6.873 -12.785 1.00 0.00 H new ATOM 0 HB2 GLU A 49 101.246 -9.351 -11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.275 -8.713 -13.457 1.00 0.00 H new ATOM 0 HG2 GLU A 49 103.742 -9.122 -13.586 1.00 0.00 H new ATOM 0 HG3 GLU A 49 103.737 -9.726 -11.941 1.00 0.00 H new ATOM 790 N LYS A 50 100.537 -6.965 -10.359 1.00 0.00 N ATOM 791 CA LYS A 50 99.311 -6.270 -9.870 1.00 0.00 C ATOM 792 C LYS A 50 99.474 -4.759 -10.039 1.00 0.00 C ATOM 793 O LYS A 50 98.509 -4.029 -10.137 1.00 0.00 O ATOM 794 CB LYS A 50 99.091 -6.596 -8.392 1.00 0.00 C ATOM 795 CG LYS A 50 97.856 -5.847 -7.886 1.00 0.00 C ATOM 796 CD LYS A 50 97.079 -6.736 -6.913 1.00 0.00 C ATOM 797 CE LYS A 50 98.042 -7.317 -5.876 1.00 0.00 C ATOM 798 NZ LYS A 50 98.171 -8.786 -6.089 1.00 0.00 N ATOM 0 H LYS A 50 100.952 -7.628 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 50 98.451 -6.609 -10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.958 -7.670 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.967 -6.310 -7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.156 -4.924 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.220 -5.566 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.300 -6.157 -6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.583 -7.541 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.018 -6.839 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.675 -7.115 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 97.596 -9.291 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 97.839 -9.029 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.168 -9.065 -5.987 1.00 0.00 H new ATOM 812 N TYR A 51 100.688 -4.282 -10.071 1.00 0.00 N ATOM 813 CA TYR A 51 100.904 -2.816 -10.231 1.00 0.00 C ATOM 814 C TYR A 51 101.991 -2.561 -11.271 1.00 0.00 C ATOM 815 O TYR A 51 102.416 -1.442 -11.461 1.00 0.00 O ATOM 816 CB TYR A 51 101.355 -2.216 -8.898 1.00 0.00 C ATOM 817 CG TYR A 51 100.163 -2.027 -7.996 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.741 -3.076 -7.175 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.479 -0.806 -7.982 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.637 -2.905 -6.336 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.374 -0.633 -7.147 1.00 0.00 C ATOM 822 CZ TYR A 51 97.951 -1.683 -6.320 1.00 0.00 C ATOM 823 OH TYR A 51 96.859 -1.512 -5.494 1.00 0.00 O ATOM 0 H TYR A 51 101.537 -4.842 -9.994 1.00 0.00 H new ATOM 0 HA TYR A 51 99.970 -2.356 -10.553 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.083 -2.872 -8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.850 -1.260 -9.068 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.268 -4.019 -7.189 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.807 0.003 -8.618 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.312 -3.715 -5.700 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.845 0.309 -7.138 1.00 0.00 H new ATOM 0 HH TYR A 51 96.502 -0.606 -5.606 1.00 0.00 H new ATOM 833 N SER A 52 102.463 -3.581 -11.937 1.00 0.00 N ATOM 834 CA SER A 52 103.541 -3.360 -12.943 1.00 0.00 C ATOM 835 C SER A 52 104.600 -2.456 -12.312 1.00 0.00 C ATOM 836 O SER A 52 105.058 -1.501 -12.908 1.00 0.00 O ATOM 837 CB SER A 52 102.959 -2.684 -14.185 1.00 0.00 C ATOM 838 OG SER A 52 103.542 -3.258 -15.348 1.00 0.00 O ATOM 0 H SER A 52 102.153 -4.547 -11.830 1.00 0.00 H new ATOM 0 HA SER A 52 103.983 -4.312 -13.239 1.00 0.00 H new ATOM 0 HB2 SER A 52 101.876 -2.808 -14.207 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.156 -1.612 -14.156 1.00 0.00 H new ATOM 0 HG SER A 52 103.170 -2.828 -16.146 1.00 0.00 H new ATOM 844 N VAL A 53 104.964 -2.749 -11.091 1.00 0.00 N ATOM 845 CA VAL A 53 105.971 -1.923 -10.366 1.00 0.00 C ATOM 846 C VAL A 53 107.043 -1.395 -11.319 1.00 0.00 C ATOM 847 O VAL A 53 107.648 -2.135 -12.067 1.00 0.00 O ATOM 848 CB VAL A 53 106.640 -2.776 -9.289 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.577 -3.311 -8.330 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.367 -3.950 -9.948 1.00 0.00 C ATOM 0 H VAL A 53 104.599 -3.539 -10.558 1.00 0.00 H new ATOM 0 HA VAL A 53 105.457 -1.073 -9.917 1.00 0.00 H new ATOM 0 HB VAL A 53 107.356 -2.168 -8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.054 -3.920 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.057 -2.476 -7.861 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.861 -3.920 -8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.845 -4.559 -9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.650 -4.558 -10.500 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.125 -3.570 -10.633 1.00 0.00 H new ATOM 860 N THR A 54 107.298 -0.115 -11.269 1.00 0.00 N ATOM 861 CA THR A 54 108.351 0.475 -12.139 1.00 0.00 C ATOM 862 C THR A 54 109.724 0.102 -11.566 1.00 0.00 C ATOM 863 O THR A 54 110.755 0.434 -12.116 1.00 0.00 O ATOM 864 CB THR A 54 108.191 1.998 -12.152 1.00 0.00 C ATOM 865 OG1 THR A 54 106.815 2.326 -12.287 1.00 0.00 O ATOM 866 CG2 THR A 54 108.974 2.587 -13.325 1.00 0.00 C ATOM 0 H THR A 54 106.819 0.548 -10.660 1.00 0.00 H new ATOM 0 HA THR A 54 108.262 0.095 -13.157 1.00 0.00 H new ATOM 0 HB THR A 54 108.575 2.411 -11.219 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.710 3.300 -12.294 1.00 0.00 H new ATOM 0 HG21 THR A 54 108.858 3.671 -13.332 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.029 2.335 -13.221 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.593 2.176 -14.260 1.00 0.00 H new ATOM 874 N PHE A 55 109.731 -0.587 -10.455 1.00 0.00 N ATOM 875 CA PHE A 55 111.003 -1.002 -9.808 1.00 0.00 C ATOM 876 C PHE A 55 110.672 -1.417 -8.378 1.00 0.00 C ATOM 877 O PHE A 55 110.006 -0.700 -7.661 1.00 0.00 O ATOM 878 CB PHE A 55 111.992 0.169 -9.795 1.00 0.00 C ATOM 879 CG PHE A 55 113.031 -0.036 -8.709 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.031 -1.003 -8.863 1.00 0.00 C ATOM 881 CD2 PHE A 55 112.995 0.750 -7.552 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.993 -1.183 -7.863 1.00 0.00 C ATOM 883 CE2 PHE A 55 113.956 0.574 -6.552 1.00 0.00 C ATOM 884 CZ PHE A 55 114.957 -0.393 -6.708 1.00 0.00 C ATOM 0 H PHE A 55 108.889 -0.884 -9.962 1.00 0.00 H new ATOM 0 HA PHE A 55 111.460 -1.827 -10.354 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.481 0.252 -10.766 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.458 1.104 -9.626 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.060 -1.611 -9.755 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.222 1.495 -7.431 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.763 -1.931 -7.982 1.00 0.00 H new ATOM 0 HE2 PHE A 55 113.927 1.183 -5.660 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.701 -0.529 -5.937 1.00 0.00 H new ATOM 894 N ILE A 56 111.114 -2.562 -7.956 1.00 0.00 N ATOM 895 CA ILE A 56 110.792 -2.992 -6.569 1.00 0.00 C ATOM 896 C ILE A 56 112.016 -3.637 -5.923 1.00 0.00 C ATOM 897 O ILE A 56 112.541 -4.620 -6.405 1.00 0.00 O ATOM 898 CB ILE A 56 109.632 -3.989 -6.602 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.448 -4.604 -5.214 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.931 -5.094 -7.613 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.304 -5.618 -5.253 1.00 0.00 C ATOM 0 H ILE A 56 111.678 -3.214 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 56 110.504 -2.121 -5.980 1.00 0.00 H new ATOM 0 HB ILE A 56 108.719 -3.470 -6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.369 -5.091 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.232 -3.824 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.103 -5.802 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.059 -4.656 -8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.845 -5.613 -7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.173 -6.057 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.384 -5.117 -5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.539 -6.404 -5.970 1.00 0.00 H new ATOM 913 N SER A 57 112.487 -3.076 -4.841 1.00 0.00 N ATOM 914 CA SER A 57 113.692 -3.647 -4.173 1.00 0.00 C ATOM 915 C SER A 57 113.428 -3.925 -2.695 1.00 0.00 C ATOM 916 O SER A 57 113.006 -3.059 -1.954 1.00 0.00 O ATOM 917 CB SER A 57 114.832 -2.644 -4.270 1.00 0.00 C ATOM 918 OG SER A 57 116.071 -3.318 -4.100 1.00 0.00 O ATOM 0 H SER A 57 112.091 -2.250 -4.392 1.00 0.00 H new ATOM 0 HA SER A 57 113.944 -4.584 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.808 -2.143 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.718 -1.873 -3.508 1.00 0.00 H new ATOM 0 HG SER A 57 115.914 -4.191 -3.684 1.00 0.00 H new ATOM 924 N ARG A 58 113.718 -5.117 -2.254 1.00 0.00 N ATOM 925 CA ARG A 58 113.533 -5.445 -0.814 1.00 0.00 C ATOM 926 C ARG A 58 114.836 -5.102 -0.085 1.00 0.00 C ATOM 927 O ARG A 58 115.894 -5.583 -0.442 1.00 0.00 O ATOM 928 CB ARG A 58 113.232 -6.938 -0.663 1.00 0.00 C ATOM 929 CG ARG A 58 112.184 -7.354 -1.697 1.00 0.00 C ATOM 930 CD ARG A 58 111.551 -8.683 -1.283 1.00 0.00 C ATOM 931 NE ARG A 58 112.447 -9.806 -1.681 1.00 0.00 N ATOM 932 CZ ARG A 58 112.223 -10.458 -2.788 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.383 -9.864 -3.938 1.00 0.00 N ATOM 934 NH2 ARG A 58 111.839 -11.704 -2.744 1.00 0.00 N ATOM 0 H ARG A 58 114.076 -5.879 -2.830 1.00 0.00 H new ATOM 0 HA ARG A 58 112.702 -4.878 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 58 114.144 -7.519 -0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 58 112.869 -7.147 0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.416 -6.585 -1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.647 -7.451 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.386 -8.700 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 58 110.576 -8.797 -1.756 1.00 0.00 H new ATOM 0 HE ARG A 58 113.235 -10.064 -1.087 1.00 0.00 H new ATOM 0 HH11 ARG A 58 112.683 -8.890 -3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 58 112.208 -10.374 -4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 58 111.714 -12.168 -1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 58 111.664 -12.214 -3.609 1.00 0.00 H new ATOM 948 N HIS A 59 114.781 -4.259 0.913 1.00 0.00 N ATOM 949 CA HIS A 59 116.032 -3.878 1.633 1.00 0.00 C ATOM 950 C HIS A 59 115.979 -4.358 3.085 1.00 0.00 C ATOM 951 O HIS A 59 114.954 -4.792 3.570 1.00 0.00 O ATOM 952 CB HIS A 59 116.184 -2.355 1.618 1.00 0.00 C ATOM 953 CG HIS A 59 116.250 -1.865 0.199 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.421 -1.900 -0.542 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.301 -1.316 -0.627 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.149 -1.386 -1.755 1.00 0.00 C ATOM 957 NE2 HIS A 59 115.871 -1.014 -1.860 1.00 0.00 N ATOM 0 H HIS A 59 113.928 -3.820 1.259 1.00 0.00 H new ATOM 0 HA HIS A 59 116.880 -4.345 1.132 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.343 -1.891 2.134 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.087 -2.065 2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.269 -1.144 -0.360 1.00 0.00 H new ATOM 0 HE1 HIS A 59 117.876 -1.286 -2.548 1.00 0.00 H new ATOM 0 HE2 HIS A 59 115.411 -0.598 -2.670 1.00 0.00 H new ATOM 965 N ASN A 60 117.080 -4.271 3.784 1.00 0.00 N ATOM 966 CA ASN A 60 117.105 -4.708 5.209 1.00 0.00 C ATOM 967 C ASN A 60 117.219 -3.476 6.109 1.00 0.00 C ATOM 968 O ASN A 60 118.002 -2.582 5.854 1.00 0.00 O ATOM 969 CB ASN A 60 118.309 -5.623 5.444 1.00 0.00 C ATOM 970 CG ASN A 60 117.865 -7.085 5.360 1.00 0.00 C ATOM 971 OD1 ASN A 60 117.109 -7.549 6.189 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.309 -7.834 4.389 1.00 0.00 N ATOM 0 H ASN A 60 117.966 -3.914 3.427 1.00 0.00 H new ATOM 0 HA ASN A 60 116.189 -5.251 5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.081 -5.423 4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.747 -5.421 6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.021 -8.810 4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 60 118.944 -7.443 3.693 1.00 0.00 H new ATOM 979 N SER A 61 116.441 -3.417 7.157 1.00 0.00 N ATOM 980 CA SER A 61 116.506 -2.236 8.064 1.00 0.00 C ATOM 981 C SER A 61 117.042 -2.659 9.435 1.00 0.00 C ATOM 982 O SER A 61 118.236 -2.764 9.635 1.00 0.00 O ATOM 983 CB SER A 61 115.105 -1.640 8.216 1.00 0.00 C ATOM 984 OG SER A 61 114.151 -2.692 8.284 1.00 0.00 O ATOM 0 H SER A 61 115.766 -4.134 7.423 1.00 0.00 H new ATOM 0 HA SER A 61 117.176 -1.489 7.639 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.053 -1.028 9.117 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.882 -0.986 7.373 1.00 0.00 H new ATOM 0 HG SER A 61 113.258 -2.315 8.430 1.00 0.00 H new ATOM 990 N TYR A 62 116.177 -2.899 10.385 1.00 0.00 N ATOM 991 CA TYR A 62 116.652 -3.307 11.738 1.00 0.00 C ATOM 992 C TYR A 62 116.324 -4.783 11.971 1.00 0.00 C ATOM 993 O TYR A 62 117.187 -5.578 12.284 1.00 0.00 O ATOM 994 CB TYR A 62 115.956 -2.454 12.801 1.00 0.00 C ATOM 995 CG TYR A 62 116.499 -1.044 12.757 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.427 -0.301 11.572 1.00 0.00 C ATOM 997 CD2 TYR A 62 117.070 -0.479 13.903 1.00 0.00 C ATOM 998 CE1 TYR A 62 116.925 1.005 11.535 1.00 0.00 C ATOM 999 CE2 TYR A 62 117.568 0.826 13.865 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.496 1.570 12.681 1.00 0.00 C ATOM 1001 OH TYR A 62 117.987 2.859 12.644 1.00 0.00 O ATOM 0 H TYR A 62 115.165 -2.830 10.282 1.00 0.00 H new ATOM 0 HA TYR A 62 117.730 -3.161 11.804 1.00 0.00 H new ATOM 0 HB2 TYR A 62 114.880 -2.445 12.627 1.00 0.00 H new ATOM 0 HB3 TYR A 62 116.116 -2.885 13.789 1.00 0.00 H new ATOM 0 HD1 TYR A 62 115.987 -0.737 10.687 1.00 0.00 H new ATOM 0 HD2 TYR A 62 117.126 -1.052 14.817 1.00 0.00 H new ATOM 0 HE1 TYR A 62 116.869 1.578 10.621 1.00 0.00 H new ATOM 0 HE2 TYR A 62 118.009 1.261 14.750 1.00 0.00 H new ATOM 0 HH TYR A 62 118.348 3.097 13.524 1.00 0.00 H new ATOM 1011 N ASN A 63 115.083 -5.156 11.823 1.00 0.00 N ATOM 1012 CA ASN A 63 114.703 -6.581 12.036 1.00 0.00 C ATOM 1013 C ASN A 63 113.764 -7.028 10.917 1.00 0.00 C ATOM 1014 O ASN A 63 113.172 -8.087 10.977 1.00 0.00 O ATOM 1015 CB ASN A 63 113.995 -6.727 13.385 1.00 0.00 C ATOM 1016 CG ASN A 63 114.858 -6.111 14.487 1.00 0.00 C ATOM 1017 OD1 ASN A 63 114.523 -5.077 15.030 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.964 -6.705 14.842 1.00 0.00 N ATOM 0 H ASN A 63 114.316 -4.536 11.564 1.00 0.00 H new ATOM 0 HA ASN A 63 115.600 -7.201 12.029 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.023 -6.234 13.352 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.812 -7.780 13.599 1.00 0.00 H new ATOM 0 HD21 ASN A 63 116.547 -6.301 15.575 1.00 0.00 H new ATOM 0 HD22 ASN A 63 116.246 -7.573 14.386 1.00 0.00 H new ATOM 1025 N HIS A 64 113.624 -6.230 9.893 1.00 0.00 N ATOM 1026 CA HIS A 64 112.722 -6.613 8.772 1.00 0.00 C ATOM 1027 C HIS A 64 113.250 -6.013 7.467 1.00 0.00 C ATOM 1028 O HIS A 64 114.423 -5.728 7.339 1.00 0.00 O ATOM 1029 CB HIS A 64 111.311 -6.103 9.063 1.00 0.00 C ATOM 1030 CG HIS A 64 110.816 -6.751 10.326 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.468 -6.018 11.448 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.621 -8.068 10.663 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.087 -6.890 12.399 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.163 -8.154 11.973 1.00 0.00 N ATOM 0 H HIS A 64 114.095 -5.332 9.785 1.00 0.00 H new ATOM 0 HA HIS A 64 112.692 -7.698 8.672 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.316 -5.018 9.171 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.646 -6.337 8.232 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.797 -8.910 10.009 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.759 -6.603 13.387 1.00 0.00 H new ATOM 0 HE2 HIS A 64 109.934 -8.999 12.496 1.00 0.00 H new ATOM 1042 N ASN A 65 112.405 -5.832 6.486 1.00 0.00 N ATOM 1043 CA ASN A 65 112.895 -5.270 5.196 1.00 0.00 C ATOM 1044 C ASN A 65 111.903 -4.243 4.641 1.00 0.00 C ATOM 1045 O ASN A 65 110.744 -4.210 5.013 1.00 0.00 O ATOM 1046 CB ASN A 65 113.060 -6.405 4.185 1.00 0.00 C ATOM 1047 CG ASN A 65 114.345 -7.176 4.494 1.00 0.00 C ATOM 1048 OD1 ASN A 65 115.293 -7.127 3.736 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.416 -7.892 5.583 1.00 0.00 N ATOM 0 H ASN A 65 111.408 -6.047 6.522 1.00 0.00 H new ATOM 0 HA ASN A 65 113.851 -4.776 5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.201 -7.075 4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.098 -6.003 3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.268 -8.411 5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.620 -7.933 6.219 1.00 0.00 H new ATOM 1056 N ILE A 66 112.359 -3.412 3.739 1.00 0.00 N ATOM 1057 CA ILE A 66 111.465 -2.386 3.132 1.00 0.00 C ATOM 1058 C ILE A 66 111.171 -2.783 1.684 1.00 0.00 C ATOM 1059 O ILE A 66 112.008 -2.645 0.814 1.00 0.00 O ATOM 1060 CB ILE A 66 112.161 -1.010 3.166 1.00 0.00 C ATOM 1061 CG1 ILE A 66 111.835 -0.316 4.491 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.682 -0.121 2.001 1.00 0.00 C ATOM 1063 CD1 ILE A 66 112.783 -0.819 5.580 1.00 0.00 C ATOM 0 H ILE A 66 113.320 -3.402 3.396 1.00 0.00 H new ATOM 0 HA ILE A 66 110.533 -2.325 3.693 1.00 0.00 H new ATOM 0 HB ILE A 66 113.236 -1.162 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 66 111.932 0.764 4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 66 110.801 -0.516 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.188 0.844 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.914 -0.607 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.605 0.030 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.550 -0.324 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.664 -1.896 5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 66 113.812 -0.596 5.298 1.00 0.00 H new ATOM 1075 N LEU A 67 109.990 -3.257 1.411 1.00 0.00 N ATOM 1076 CA LEU A 67 109.663 -3.633 0.012 1.00 0.00 C ATOM 1077 C LEU A 67 109.350 -2.361 -0.758 1.00 0.00 C ATOM 1078 O LEU A 67 108.223 -1.912 -0.826 1.00 0.00 O ATOM 1079 CB LEU A 67 108.449 -4.562 -0.014 1.00 0.00 C ATOM 1080 CG LEU A 67 108.169 -4.993 -1.455 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.444 -6.489 -1.605 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.706 -4.712 -1.795 1.00 0.00 C ATOM 0 H LEU A 67 109.243 -3.399 2.091 1.00 0.00 H new ATOM 0 HA LEU A 67 110.506 -4.155 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.633 -5.437 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.579 -4.053 0.400 1.00 0.00 H new ATOM 0 HG LEU A 67 108.816 -4.434 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.244 -6.795 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.487 -6.693 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 67 107.798 -7.047 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.506 -5.019 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.061 -5.271 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.506 -3.646 -1.689 1.00 0.00 H new ATOM 1094 N PHE A 68 110.356 -1.778 -1.329 1.00 0.00 N ATOM 1095 CA PHE A 68 110.172 -0.528 -2.100 1.00 0.00 C ATOM 1096 C PHE A 68 109.586 -0.890 -3.462 1.00 0.00 C ATOM 1097 O PHE A 68 109.973 -1.870 -4.058 1.00 0.00 O ATOM 1098 CB PHE A 68 111.554 0.109 -2.274 1.00 0.00 C ATOM 1099 CG PHE A 68 111.495 1.612 -2.154 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.532 2.245 -1.357 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.426 2.376 -2.855 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.508 3.640 -1.268 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.403 3.768 -2.771 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.442 4.403 -1.977 1.00 0.00 C ATOM 0 H PHE A 68 111.316 -2.121 -1.294 1.00 0.00 H new ATOM 0 HA PHE A 68 109.502 0.167 -1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.236 -0.290 -1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 68 111.960 -0.163 -3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 68 109.809 1.656 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.170 1.887 -3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 68 109.768 4.129 -0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.126 4.355 -3.318 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.421 5.481 -1.911 1.00 0.00 H new ATOM 1114 N PHE A 69 108.646 -0.128 -3.957 1.00 0.00 N ATOM 1115 CA PHE A 69 108.053 -0.476 -5.279 1.00 0.00 C ATOM 1116 C PHE A 69 107.322 0.729 -5.874 1.00 0.00 C ATOM 1117 O PHE A 69 106.538 1.388 -5.217 1.00 0.00 O ATOM 1118 CB PHE A 69 107.070 -1.640 -5.116 1.00 0.00 C ATOM 1119 CG PHE A 69 105.839 -1.181 -4.367 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.950 -0.746 -3.041 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.584 -1.200 -4.994 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.810 -0.330 -2.343 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.446 -0.786 -4.296 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.557 -0.349 -2.971 1.00 0.00 C ATOM 0 H PHE A 69 108.269 0.708 -3.510 1.00 0.00 H new ATOM 0 HA PHE A 69 108.858 -0.768 -5.954 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.786 -2.026 -6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.549 -2.458 -4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.915 -0.731 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.497 -1.535 -6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.896 0.006 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.480 -0.803 -4.779 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.678 -0.027 -2.433 1.00 0.00 H new ATOM 1134 N LEU A 70 107.568 1.006 -7.126 1.00 0.00 N ATOM 1135 CA LEU A 70 106.887 2.146 -7.793 1.00 0.00 C ATOM 1136 C LEU A 70 105.618 1.633 -8.463 1.00 0.00 C ATOM 1137 O LEU A 70 105.260 0.478 -8.339 1.00 0.00 O ATOM 1138 CB LEU A 70 107.797 2.731 -8.872 1.00 0.00 C ATOM 1139 CG LEU A 70 108.929 3.525 -8.229 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.868 4.028 -9.329 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.347 4.716 -7.469 1.00 0.00 C ATOM 0 H LEU A 70 108.217 0.486 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 70 106.652 2.911 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.208 1.930 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.220 3.376 -9.534 1.00 0.00 H new ATOM 0 HG LEU A 70 109.480 2.891 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 70 110.682 4.598 -8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 70 110.278 3.178 -9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.314 4.667 -10.016 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.155 5.284 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 70 107.801 5.357 -8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.669 4.357 -6.694 1.00 0.00 H new ATOM 1153 N THR A 71 104.939 2.476 -9.183 1.00 0.00 N ATOM 1154 CA THR A 71 103.702 2.028 -9.871 1.00 0.00 C ATOM 1155 C THR A 71 103.389 2.990 -11.025 1.00 0.00 C ATOM 1156 O THR A 71 103.767 4.143 -10.987 1.00 0.00 O ATOM 1157 CB THR A 71 102.553 2.014 -8.868 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.671 3.140 -8.009 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.607 0.728 -8.035 1.00 0.00 C ATOM 0 H THR A 71 105.187 3.455 -9.325 1.00 0.00 H new ATOM 0 HA THR A 71 103.837 1.024 -10.274 1.00 0.00 H new ATOM 0 HB THR A 71 101.604 2.055 -9.402 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.779 3.493 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.784 0.723 -7.320 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.521 -0.136 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.554 0.682 -7.498 1.00 0.00 H new ATOM 1167 N PRO A 72 102.715 2.477 -12.024 1.00 0.00 N ATOM 1168 CA PRO A 72 102.342 3.255 -13.221 1.00 0.00 C ATOM 1169 C PRO A 72 101.200 4.227 -12.915 1.00 0.00 C ATOM 1170 O PRO A 72 101.428 5.357 -12.530 1.00 0.00 O ATOM 1171 CB PRO A 72 101.905 2.185 -14.225 1.00 0.00 C ATOM 1172 CG PRO A 72 101.524 0.939 -13.395 1.00 0.00 C ATOM 1173 CD PRO A 72 102.260 1.073 -12.049 1.00 0.00 C ATOM 0 HA PRO A 72 103.158 3.874 -13.593 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.058 2.531 -14.818 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.710 1.955 -14.923 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.446 0.887 -13.245 1.00 0.00 H new ATOM 0 HG3 PRO A 72 101.819 0.024 -13.910 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.599 0.853 -11.210 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.100 0.381 -11.983 1.00 0.00 H new ATOM 1181 N HIS A 73 99.974 3.811 -13.095 1.00 0.00 N ATOM 1182 CA HIS A 73 98.840 4.738 -12.822 1.00 0.00 C ATOM 1183 C HIS A 73 99.021 5.363 -11.436 1.00 0.00 C ATOM 1184 O HIS A 73 99.972 5.077 -10.740 1.00 0.00 O ATOM 1185 CB HIS A 73 97.504 3.984 -12.927 1.00 0.00 C ATOM 1186 CG HIS A 73 97.221 3.182 -11.683 1.00 0.00 C ATOM 1187 ND1 HIS A 73 98.063 2.175 -11.230 1.00 0.00 N ATOM 1188 CD2 HIS A 73 96.160 3.201 -10.811 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.495 1.634 -10.132 1.00 0.00 C ATOM 1190 NE2 HIS A 73 96.334 2.223 -9.835 1.00 0.00 N ATOM 0 H HIS A 73 99.712 2.879 -13.416 1.00 0.00 H new ATOM 0 HA HIS A 73 98.828 5.537 -13.563 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.696 4.696 -13.093 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.527 3.320 -13.791 1.00 0.00 H new ATOM 0 HD2 HIS A 73 95.317 3.874 -10.873 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.927 0.824 -9.563 1.00 0.00 H new ATOM 0 HE2 HIS A 73 95.709 2.004 -9.060 1.00 0.00 H new ATOM 1198 N ARG A 74 98.141 6.239 -11.040 1.00 0.00 N ATOM 1199 CA ARG A 74 98.300 6.894 -9.708 1.00 0.00 C ATOM 1200 C ARG A 74 97.354 6.252 -8.695 1.00 0.00 C ATOM 1201 O ARG A 74 96.299 5.757 -9.040 1.00 0.00 O ATOM 1202 CB ARG A 74 97.976 8.385 -9.835 1.00 0.00 C ATOM 1203 CG ARG A 74 98.395 8.881 -11.220 1.00 0.00 C ATOM 1204 CD ARG A 74 98.941 10.305 -11.111 1.00 0.00 C ATOM 1205 NE ARG A 74 98.931 10.945 -12.456 1.00 0.00 N ATOM 1206 CZ ARG A 74 99.614 12.037 -12.667 1.00 0.00 C ATOM 1207 NH1 ARG A 74 100.865 12.105 -12.301 1.00 0.00 N ATOM 1208 NH2 ARG A 74 99.045 13.060 -13.244 1.00 0.00 N ATOM 0 H ARG A 74 97.323 6.530 -11.575 1.00 0.00 H new ATOM 0 HA ARG A 74 99.327 6.768 -9.366 1.00 0.00 H new ATOM 0 HB2 ARG A 74 96.909 8.550 -9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.498 8.949 -9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.154 8.221 -11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 74 97.542 8.859 -11.899 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.335 10.886 -10.416 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.955 10.287 -10.712 1.00 0.00 H new ATOM 0 HE ARG A 74 98.389 10.529 -13.214 1.00 0.00 H new ATOM 0 HH11 ARG A 74 101.309 11.305 -11.850 1.00 0.00 H new ATOM 0 HH12 ARG A 74 101.399 12.958 -12.466 1.00 0.00 H new ATOM 0 HH21 ARG A 74 98.067 13.006 -13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 74 99.578 13.914 -13.409 1.00 0.00 H new ATOM 1222 N HIS A 75 97.727 6.254 -7.445 1.00 0.00 N ATOM 1223 CA HIS A 75 96.851 5.640 -6.405 1.00 0.00 C ATOM 1224 C HIS A 75 97.071 6.351 -5.074 1.00 0.00 C ATOM 1225 O HIS A 75 98.172 6.746 -4.744 1.00 0.00 O ATOM 1226 CB HIS A 75 97.197 4.156 -6.211 1.00 0.00 C ATOM 1227 CG HIS A 75 98.331 3.751 -7.109 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.210 3.712 -8.487 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.615 3.360 -6.835 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.392 3.308 -8.983 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.280 3.080 -8.018 1.00 0.00 N ATOM 0 H HIS A 75 98.599 6.653 -7.098 1.00 0.00 H new ATOM 0 HA HIS A 75 95.816 5.736 -6.732 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.468 3.974 -5.171 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.321 3.543 -6.424 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.377 3.947 -9.027 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.044 3.282 -5.847 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.596 3.184 -10.036 1.00 0.00 H new ATOM 1239 N ARG A 76 96.042 6.489 -4.290 1.00 0.00 N ATOM 1240 CA ARG A 76 96.207 7.143 -2.967 1.00 0.00 C ATOM 1241 C ARG A 76 96.795 6.111 -2.005 1.00 0.00 C ATOM 1242 O ARG A 76 96.474 4.942 -2.072 1.00 0.00 O ATOM 1243 CB ARG A 76 94.847 7.613 -2.449 1.00 0.00 C ATOM 1244 CG ARG A 76 94.423 8.877 -3.200 1.00 0.00 C ATOM 1245 CD ARG A 76 93.169 9.461 -2.549 1.00 0.00 C ATOM 1246 NE ARG A 76 91.961 8.793 -3.110 1.00 0.00 N ATOM 1247 CZ ARG A 76 90.879 8.688 -2.391 1.00 0.00 C ATOM 1248 NH1 ARG A 76 90.758 9.378 -1.289 1.00 0.00 N ATOM 1249 NH2 ARG A 76 89.917 7.891 -2.770 1.00 0.00 N ATOM 0 H ARG A 76 95.095 6.178 -4.508 1.00 0.00 H new ATOM 0 HA ARG A 76 96.866 8.008 -3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.103 6.829 -2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.903 7.815 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.229 9.610 -3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.227 8.643 -4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.207 9.319 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.120 10.535 -2.728 1.00 0.00 H new ATOM 0 HE ARG A 76 91.981 8.417 -4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.510 9.999 -0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 76 89.911 9.296 -0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.012 7.350 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.071 7.809 -2.207 1.00 0.00 H new ATOM 1263 N VAL A 77 97.655 6.520 -1.116 1.00 0.00 N ATOM 1264 CA VAL A 77 98.247 5.535 -0.170 1.00 0.00 C ATOM 1265 C VAL A 77 97.122 4.750 0.509 1.00 0.00 C ATOM 1266 O VAL A 77 97.338 3.679 1.035 1.00 0.00 O ATOM 1267 CB VAL A 77 99.105 6.269 0.868 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.255 5.415 2.132 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.488 6.523 0.266 1.00 0.00 C ATOM 0 H VAL A 77 97.971 7.483 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 77 98.886 4.836 -0.710 1.00 0.00 H new ATOM 0 HB VAL A 77 98.626 7.211 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.866 5.948 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.271 5.219 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.735 4.470 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 77 101.111 7.045 0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.952 5.572 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.388 7.134 -0.631 1.00 0.00 H new ATOM 1279 N SER A 78 95.921 5.261 0.490 1.00 0.00 N ATOM 1280 CA SER A 78 94.792 4.523 1.119 1.00 0.00 C ATOM 1281 C SER A 78 94.464 3.298 0.261 1.00 0.00 C ATOM 1282 O SER A 78 94.276 2.208 0.763 1.00 0.00 O ATOM 1283 CB SER A 78 93.568 5.436 1.199 1.00 0.00 C ATOM 1284 OG SER A 78 92.397 4.680 0.922 1.00 0.00 O ATOM 0 H SER A 78 95.674 6.156 0.067 1.00 0.00 H new ATOM 0 HA SER A 78 95.069 4.207 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 78 93.499 5.884 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.663 6.254 0.485 1.00 0.00 H new ATOM 0 HG SER A 78 91.611 5.263 0.974 1.00 0.00 H new ATOM 1290 N ALA A 79 94.406 3.470 -1.034 1.00 0.00 N ATOM 1291 CA ALA A 79 94.101 2.319 -1.932 1.00 0.00 C ATOM 1292 C ALA A 79 95.242 1.302 -1.853 1.00 0.00 C ATOM 1293 O ALA A 79 95.034 0.145 -1.546 1.00 0.00 O ATOM 1294 CB ALA A 79 93.961 2.818 -3.371 1.00 0.00 C ATOM 0 H ALA A 79 94.557 4.360 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 79 93.169 1.848 -1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.738 1.977 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.152 3.546 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.893 3.287 -3.686 1.00 0.00 H new ATOM 1300 N ILE A 80 96.448 1.725 -2.119 1.00 0.00 N ATOM 1301 CA ILE A 80 97.597 0.784 -2.043 1.00 0.00 C ATOM 1302 C ILE A 80 97.688 0.258 -0.611 1.00 0.00 C ATOM 1303 O ILE A 80 98.170 -0.828 -0.362 1.00 0.00 O ATOM 1304 CB ILE A 80 98.892 1.519 -2.403 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.844 1.964 -3.874 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.086 0.587 -2.178 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.217 0.796 -4.794 1.00 0.00 C ATOM 0 H ILE A 80 96.685 2.681 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 80 97.455 -0.041 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 80 98.999 2.400 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.845 2.325 -4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.531 2.795 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.008 1.109 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.119 0.284 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.982 -0.296 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.179 1.124 -5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.225 0.454 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.513 -0.023 -4.646 1.00 0.00 H new ATOM 1319 N ASN A 81 97.210 1.027 0.333 1.00 0.00 N ATOM 1320 CA ASN A 81 97.245 0.581 1.754 1.00 0.00 C ATOM 1321 C ASN A 81 96.208 -0.523 1.944 1.00 0.00 C ATOM 1322 O ASN A 81 96.370 -1.407 2.756 1.00 0.00 O ATOM 1323 CB ASN A 81 96.914 1.758 2.674 1.00 0.00 C ATOM 1324 CG ASN A 81 96.660 1.244 4.094 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.582 0.864 4.787 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.441 1.218 4.558 1.00 0.00 N ATOM 0 H ASN A 81 96.796 1.946 0.179 1.00 0.00 H new ATOM 0 HA ASN A 81 98.239 0.208 2.001 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.737 2.473 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.035 2.285 2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.262 0.878 5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.667 1.537 3.976 1.00 0.00 H new ATOM 1333 N ASN A 82 95.147 -0.485 1.191 1.00 0.00 N ATOM 1334 CA ASN A 82 94.115 -1.546 1.321 1.00 0.00 C ATOM 1335 C ASN A 82 94.720 -2.868 0.852 1.00 0.00 C ATOM 1336 O ASN A 82 94.256 -3.936 1.195 1.00 0.00 O ATOM 1337 CB ASN A 82 92.908 -1.198 0.449 1.00 0.00 C ATOM 1338 CG ASN A 82 91.887 -0.416 1.276 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.700 -0.686 2.445 1.00 0.00 O ATOM 1340 ND2 ASN A 82 91.214 0.551 0.713 1.00 0.00 N ATOM 0 H ASN A 82 94.950 0.233 0.493 1.00 0.00 H new ATOM 0 HA ASN A 82 93.791 -1.628 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.225 -0.606 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.454 -2.109 0.058 1.00 0.00 H new ATOM 0 HD21 ASN A 82 90.531 1.080 1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 82 91.371 0.777 -0.269 1.00 0.00 H new ATOM 1347 N TYR A 83 95.759 -2.796 0.064 1.00 0.00 N ATOM 1348 CA TYR A 83 96.407 -4.040 -0.439 1.00 0.00 C ATOM 1349 C TYR A 83 97.513 -4.474 0.530 1.00 0.00 C ATOM 1350 O TYR A 83 97.427 -5.510 1.157 1.00 0.00 O ATOM 1351 CB TYR A 83 97.003 -3.762 -1.825 1.00 0.00 C ATOM 1352 CG TYR A 83 97.823 -4.941 -2.302 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.734 -6.186 -1.660 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.681 -4.783 -3.398 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.500 -7.264 -2.117 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.445 -5.861 -3.852 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.355 -7.102 -3.212 1.00 0.00 C ATOM 1358 OH TYR A 83 100.111 -8.165 -3.660 1.00 0.00 O ATOM 0 H TYR A 83 96.187 -1.926 -0.253 1.00 0.00 H new ATOM 0 HA TYR A 83 95.670 -4.840 -0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.202 -3.558 -2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.629 -2.870 -1.785 1.00 0.00 H new ATOM 0 HD1 TYR A 83 97.075 -6.312 -0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.752 -3.826 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.431 -8.222 -1.624 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.105 -5.736 -4.697 1.00 0.00 H new ATOM 0 HH TYR A 83 101.026 -8.082 -3.320 1.00 0.00 H new ATOM 1368 N ALA A 84 98.553 -3.696 0.650 1.00 0.00 N ATOM 1369 CA ALA A 84 99.667 -4.072 1.569 1.00 0.00 C ATOM 1370 C ALA A 84 99.136 -4.247 2.994 1.00 0.00 C ATOM 1371 O ALA A 84 99.503 -5.168 3.693 1.00 0.00 O ATOM 1372 CB ALA A 84 100.730 -2.973 1.552 1.00 0.00 C ATOM 0 H ALA A 84 98.681 -2.815 0.152 1.00 0.00 H new ATOM 0 HA ALA A 84 100.104 -5.013 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.545 -3.245 2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.117 -2.856 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.287 -2.033 1.882 1.00 0.00 H new ATOM 1378 N GLN A 85 98.282 -3.366 3.428 1.00 0.00 N ATOM 1379 CA GLN A 85 97.729 -3.473 4.811 1.00 0.00 C ATOM 1380 C GLN A 85 96.872 -4.737 4.934 1.00 0.00 C ATOM 1381 O GLN A 85 96.644 -5.236 6.017 1.00 0.00 O ATOM 1382 CB GLN A 85 96.869 -2.246 5.119 1.00 0.00 C ATOM 1383 CG GLN A 85 96.617 -2.163 6.626 1.00 0.00 C ATOM 1384 CD GLN A 85 97.602 -1.176 7.255 1.00 0.00 C ATOM 1385 OE1 GLN A 85 98.885 -1.372 7.114 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 97.202 -0.217 7.883 1.00 0.00 N flip ATOM 0 H GLN A 85 97.940 -2.573 2.886 1.00 0.00 H new ATOM 0 HA GLN A 85 98.555 -3.527 5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 85 97.370 -1.342 4.773 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.921 -2.310 4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 85 95.593 -1.842 6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 85 96.733 -3.147 7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 85 96.200 -0.062 7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.868 0.434 8.299 1.00 0.00 H new ATOM 1395 N LYS A 86 96.400 -5.261 3.836 1.00 0.00 N ATOM 1396 CA LYS A 86 95.564 -6.496 3.903 1.00 0.00 C ATOM 1397 C LYS A 86 96.473 -7.722 4.013 1.00 0.00 C ATOM 1398 O LYS A 86 96.027 -8.850 3.938 1.00 0.00 O ATOM 1399 CB LYS A 86 94.711 -6.607 2.637 1.00 0.00 C ATOM 1400 CG LYS A 86 93.247 -6.321 2.979 1.00 0.00 C ATOM 1401 CD LYS A 86 92.338 -7.082 2.013 1.00 0.00 C ATOM 1402 CE LYS A 86 90.877 -6.865 2.409 1.00 0.00 C ATOM 1403 NZ LYS A 86 90.058 -6.650 1.182 1.00 0.00 N ATOM 0 H LYS A 86 96.555 -4.890 2.899 1.00 0.00 H new ATOM 0 HA LYS A 86 94.913 -6.445 4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.064 -5.901 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.807 -7.604 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 86 93.037 -6.622 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.050 -5.251 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.504 -6.737 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.577 -8.145 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.506 -7.729 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.792 -6.004 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 89.064 -6.502 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.408 -5.813 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 90.130 -7.485 0.566 1.00 0.00 H new ATOM 1417 N LEU A 87 97.748 -7.507 4.193 1.00 0.00 N ATOM 1418 CA LEU A 87 98.695 -8.649 4.309 1.00 0.00 C ATOM 1419 C LEU A 87 99.353 -8.617 5.690 1.00 0.00 C ATOM 1420 O LEU A 87 100.494 -9.004 5.852 1.00 0.00 O ATOM 1421 CB LEU A 87 99.771 -8.519 3.229 1.00 0.00 C ATOM 1422 CG LEU A 87 99.124 -8.636 1.849 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.753 -7.613 0.900 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.350 -10.046 1.299 1.00 0.00 C ATOM 0 H LEU A 87 98.175 -6.584 4.265 1.00 0.00 H new ATOM 0 HA LEU A 87 98.160 -9.590 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.282 -7.561 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.525 -9.296 3.356 1.00 0.00 H new ATOM 0 HG LEU A 87 98.054 -8.444 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.291 -7.697 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.594 -6.608 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.823 -7.804 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.889 -10.131 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.420 -10.237 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.902 -10.776 1.974 1.00 0.00 H new ATOM 1436 N CYS A 88 98.647 -8.151 6.684 1.00 0.00 N ATOM 1437 CA CYS A 88 99.239 -8.086 8.049 1.00 0.00 C ATOM 1438 C CYS A 88 98.503 -9.046 8.986 1.00 0.00 C ATOM 1439 O CYS A 88 98.515 -8.879 10.190 1.00 0.00 O ATOM 1440 CB CYS A 88 99.118 -6.657 8.586 1.00 0.00 C ATOM 1441 SG CYS A 88 97.382 -6.288 8.946 1.00 0.00 S ATOM 0 H CYS A 88 97.687 -7.813 6.609 1.00 0.00 H new ATOM 0 HA CYS A 88 100.289 -8.373 7.998 1.00 0.00 H new ATOM 0 HB2 CYS A 88 99.719 -6.545 9.489 1.00 0.00 H new ATOM 0 HB3 CYS A 88 99.507 -5.949 7.854 1.00 0.00 H new ATOM 0 HG CYS A 88 96.813 -5.799 7.884 1.00 0.00 H new ATOM 1447 N THR A 89 97.867 -10.054 8.453 1.00 0.00 N ATOM 1448 CA THR A 89 97.145 -11.018 9.337 1.00 0.00 C ATOM 1449 C THR A 89 98.080 -12.178 9.695 1.00 0.00 C ATOM 1450 O THR A 89 97.719 -13.071 10.437 1.00 0.00 O ATOM 1451 CB THR A 89 95.889 -11.559 8.639 1.00 0.00 C ATOM 1452 OG1 THR A 89 95.641 -12.886 9.083 1.00 0.00 O ATOM 1453 CG2 THR A 89 96.078 -11.558 7.123 1.00 0.00 C ATOM 0 H THR A 89 97.815 -10.252 7.454 1.00 0.00 H new ATOM 0 HA THR A 89 96.837 -10.499 10.245 1.00 0.00 H new ATOM 0 HB THR A 89 95.043 -10.918 8.887 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.044 -13.016 9.967 1.00 0.00 H new ATOM 0 HG21 THR A 89 95.178 -11.944 6.644 1.00 0.00 H new ATOM 0 HG22 THR A 89 96.263 -10.540 6.780 1.00 0.00 H new ATOM 0 HG23 THR A 89 96.928 -12.189 6.862 1.00 0.00 H new ATOM 1461 N PHE A 90 99.283 -12.163 9.187 1.00 0.00 N ATOM 1462 CA PHE A 90 100.248 -13.255 9.514 1.00 0.00 C ATOM 1463 C PHE A 90 101.427 -12.659 10.287 1.00 0.00 C ATOM 1464 O PHE A 90 102.249 -13.369 10.832 1.00 0.00 O ATOM 1465 CB PHE A 90 100.766 -13.921 8.230 1.00 0.00 C ATOM 1466 CG PHE A 90 100.467 -13.057 7.025 1.00 0.00 C ATOM 1467 CD1 PHE A 90 99.148 -12.910 6.581 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.509 -12.410 6.350 1.00 0.00 C ATOM 1469 CE1 PHE A 90 98.872 -12.117 5.461 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.231 -11.615 5.230 1.00 0.00 C ATOM 1471 CZ PHE A 90 99.912 -11.470 4.786 1.00 0.00 C ATOM 0 H PHE A 90 99.640 -11.442 8.560 1.00 0.00 H new ATOM 0 HA PHE A 90 99.742 -14.009 10.117 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.840 -14.087 8.308 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.300 -14.899 8.108 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.344 -13.408 7.102 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.527 -12.524 6.692 1.00 0.00 H new ATOM 0 HE1 PHE A 90 97.854 -12.005 5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.034 -11.115 4.710 1.00 0.00 H new ATOM 0 HZ PHE A 90 99.697 -10.858 3.922 1.00 0.00 H new ATOM 1481 N SER A 91 101.512 -11.357 10.338 1.00 0.00 N ATOM 1482 CA SER A 91 102.632 -10.704 11.075 1.00 0.00 C ATOM 1483 C SER A 91 102.394 -9.193 11.103 1.00 0.00 C ATOM 1484 O SER A 91 101.416 -8.702 10.576 1.00 0.00 O ATOM 1485 CB SER A 91 103.954 -11.002 10.366 1.00 0.00 C ATOM 1486 OG SER A 91 104.914 -11.429 11.325 1.00 0.00 O ATOM 0 H SER A 91 100.852 -10.715 9.899 1.00 0.00 H new ATOM 0 HA SER A 91 102.678 -11.089 12.094 1.00 0.00 H new ATOM 0 HB2 SER A 91 103.809 -11.774 9.610 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.311 -10.112 9.848 1.00 0.00 H new ATOM 0 HG SER A 91 105.634 -11.917 10.873 1.00 0.00 H new ATOM 1492 N PHE A 92 103.276 -8.448 11.710 1.00 0.00 N ATOM 1493 CA PHE A 92 103.084 -6.971 11.760 1.00 0.00 C ATOM 1494 C PHE A 92 103.272 -6.389 10.355 1.00 0.00 C ATOM 1495 O PHE A 92 103.790 -7.040 9.469 1.00 0.00 O ATOM 1496 CB PHE A 92 104.102 -6.354 12.735 1.00 0.00 C ATOM 1497 CG PHE A 92 105.413 -6.085 12.030 1.00 0.00 C ATOM 1498 CD1 PHE A 92 106.335 -7.122 11.839 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.705 -4.797 11.565 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.544 -6.870 11.184 1.00 0.00 C ATOM 1501 CE2 PHE A 92 106.914 -4.545 10.910 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.835 -5.581 10.719 1.00 0.00 C ATOM 0 H PHE A 92 104.117 -8.795 12.171 1.00 0.00 H new ATOM 0 HA PHE A 92 102.078 -6.739 12.109 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.705 -5.425 13.145 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.266 -7.029 13.575 1.00 0.00 H new ATOM 0 HD1 PHE A 92 106.112 -8.116 12.198 1.00 0.00 H new ATOM 0 HD2 PHE A 92 104.995 -3.997 11.713 1.00 0.00 H new ATOM 0 HE1 PHE A 92 108.254 -7.670 11.036 1.00 0.00 H new ATOM 0 HE2 PHE A 92 107.137 -3.551 10.551 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.769 -5.387 10.213 1.00 0.00 H new ATOM 1512 N LEU A 93 102.858 -5.171 10.143 1.00 0.00 N ATOM 1513 CA LEU A 93 103.020 -4.556 8.795 1.00 0.00 C ATOM 1514 C LEU A 93 102.998 -3.032 8.918 1.00 0.00 C ATOM 1515 O LEU A 93 102.257 -2.472 9.702 1.00 0.00 O ATOM 1516 CB LEU A 93 101.879 -5.008 7.882 1.00 0.00 C ATOM 1517 CG LEU A 93 102.211 -4.640 6.435 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.892 -5.823 5.519 1.00 0.00 C ATOM 1519 CD2 LEU A 93 101.377 -3.428 6.012 1.00 0.00 C ATOM 0 H LEU A 93 102.415 -4.575 10.843 1.00 0.00 H new ATOM 0 HA LEU A 93 103.972 -4.872 8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.732 -6.084 7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.946 -4.533 8.185 1.00 0.00 H new ATOM 0 HG LEU A 93 103.271 -4.397 6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 93 102.129 -5.559 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.487 -6.686 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.833 -6.068 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 93 101.613 -3.166 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 93 100.317 -3.670 6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 93 101.606 -2.584 6.663 1.00 0.00 H new ATOM 1531 N ILE A 94 103.803 -2.357 8.145 1.00 0.00 N ATOM 1532 CA ILE A 94 103.832 -0.870 8.210 1.00 0.00 C ATOM 1533 C ILE A 94 104.010 -0.308 6.798 1.00 0.00 C ATOM 1534 O ILE A 94 105.036 0.252 6.466 1.00 0.00 O ATOM 1535 CB ILE A 94 105.001 -0.421 9.092 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.670 -0.708 10.559 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.239 1.079 8.909 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.585 -1.818 11.078 1.00 0.00 C ATOM 0 H ILE A 94 104.444 -2.773 7.469 1.00 0.00 H new ATOM 0 HA ILE A 94 102.898 -0.502 8.634 1.00 0.00 H new ATOM 0 HB ILE A 94 105.900 -0.967 8.805 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.800 0.195 11.156 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.626 -1.007 10.656 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.071 1.395 9.538 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.475 1.285 7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.341 1.627 9.193 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.351 -2.024 12.122 1.00 0.00 H new ATOM 0 HD12 ILE A 94 105.433 -2.721 10.487 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.625 -1.501 10.995 1.00 0.00 H new ATOM 1550 N CYS A 95 103.018 -0.454 5.962 1.00 0.00 N ATOM 1551 CA CYS A 95 103.132 0.070 4.572 1.00 0.00 C ATOM 1552 C CYS A 95 102.866 1.579 4.577 1.00 0.00 C ATOM 1553 O CYS A 95 101.902 2.044 5.151 1.00 0.00 O ATOM 1554 CB CYS A 95 102.104 -0.628 3.680 1.00 0.00 C ATOM 1555 SG CYS A 95 102.040 0.198 2.070 1.00 0.00 S ATOM 0 H CYS A 95 102.134 -0.913 6.182 1.00 0.00 H new ATOM 0 HA CYS A 95 104.134 -0.122 4.188 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.371 -1.677 3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 95 101.122 -0.604 4.152 1.00 0.00 H new ATOM 0 HG CYS A 95 100.845 0.084 1.571 1.00 0.00 H new ATOM 1561 N LYS A 96 103.713 2.350 3.945 1.00 0.00 N ATOM 1562 CA LYS A 96 103.498 3.827 3.924 1.00 0.00 C ATOM 1563 C LYS A 96 104.070 4.416 2.632 1.00 0.00 C ATOM 1564 O LYS A 96 105.201 4.163 2.273 1.00 0.00 O ATOM 1565 CB LYS A 96 104.208 4.459 5.124 1.00 0.00 C ATOM 1566 CG LYS A 96 103.235 5.370 5.875 1.00 0.00 C ATOM 1567 CD LYS A 96 103.059 4.859 7.307 1.00 0.00 C ATOM 1568 CE LYS A 96 102.625 6.013 8.213 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.752 5.599 9.638 1.00 0.00 N ATOM 0 H LYS A 96 104.540 2.023 3.445 1.00 0.00 H new ATOM 0 HA LYS A 96 102.429 4.036 3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.581 3.681 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 96 105.072 5.032 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.613 6.392 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 96 102.272 5.391 5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 96 102.314 4.064 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 96 103.994 4.431 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 96 103.241 6.891 8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 96 101.594 6.293 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 102.457 6.383 10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.146 4.773 9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.742 5.352 9.841 1.00 0.00 H new ATOM 1583 N GLY A 97 103.297 5.204 1.933 1.00 0.00 N ATOM 1584 CA GLY A 97 103.801 5.813 0.667 1.00 0.00 C ATOM 1585 C GLY A 97 105.053 6.642 0.963 1.00 0.00 C ATOM 1586 O GLY A 97 105.451 6.792 2.102 1.00 0.00 O ATOM 0 H GLY A 97 102.340 5.452 2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 97 104.032 5.032 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.031 6.444 0.222 1.00 0.00 H new ATOM 1590 N VAL A 98 105.681 7.183 -0.047 1.00 0.00 N ATOM 1591 CA VAL A 98 106.909 7.997 0.196 1.00 0.00 C ATOM 1592 C VAL A 98 106.962 9.170 -0.788 1.00 0.00 C ATOM 1593 O VAL A 98 106.512 9.074 -1.913 1.00 0.00 O ATOM 1594 CB VAL A 98 108.148 7.116 0.011 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.397 7.993 -0.111 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.298 6.190 1.218 1.00 0.00 C ATOM 0 H VAL A 98 105.400 7.098 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 98 106.886 8.387 1.214 1.00 0.00 H new ATOM 0 HB VAL A 98 108.033 6.523 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.275 7.360 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.295 8.654 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.512 8.590 0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 98 109.180 5.562 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.408 6.787 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.413 5.559 1.305 1.00 0.00 H new ATOM 1606 N ASN A 99 107.522 10.275 -0.373 1.00 0.00 N ATOM 1607 CA ASN A 99 107.621 11.452 -1.280 1.00 0.00 C ATOM 1608 C ASN A 99 108.903 11.335 -2.105 1.00 0.00 C ATOM 1609 O ASN A 99 108.868 11.133 -3.303 1.00 0.00 O ATOM 1610 CB ASN A 99 107.663 12.736 -0.450 1.00 0.00 C ATOM 1611 CG ASN A 99 106.315 12.938 0.246 1.00 0.00 C ATOM 1612 OD1 ASN A 99 105.276 12.807 -0.368 1.00 0.00 O ATOM 1613 ND2 ASN A 99 106.290 13.256 1.512 1.00 0.00 N ATOM 0 H ASN A 99 107.916 10.412 0.558 1.00 0.00 H new ATOM 0 HA ASN A 99 106.756 11.482 -1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 99 108.461 12.677 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.885 13.589 -1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 99 105.397 13.394 1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 99 107.163 13.366 2.028 1.00 0.00 H new ATOM 1620 N LYS A 100 110.039 11.447 -1.471 1.00 0.00 N ATOM 1621 CA LYS A 100 111.323 11.327 -2.216 1.00 0.00 C ATOM 1622 C LYS A 100 111.623 9.845 -2.442 1.00 0.00 C ATOM 1623 O LYS A 100 112.346 9.222 -1.690 1.00 0.00 O ATOM 1624 CB LYS A 100 112.453 11.964 -1.403 1.00 0.00 C ATOM 1625 CG LYS A 100 112.048 13.380 -0.987 1.00 0.00 C ATOM 1626 CD LYS A 100 113.248 14.317 -1.140 1.00 0.00 C ATOM 1627 CE LYS A 100 112.793 15.632 -1.775 1.00 0.00 C ATOM 1628 NZ LYS A 100 113.979 16.367 -2.298 1.00 0.00 N ATOM 0 H LYS A 100 110.132 11.616 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 100 111.245 11.840 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 100 112.665 11.361 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 100 113.368 11.995 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.219 13.729 -1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.700 13.382 0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.699 14.508 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 100 114.012 13.848 -1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.089 15.434 -2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 100 112.269 16.242 -1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 113.670 17.261 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 114.635 16.568 -1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 114.460 15.785 -3.013 1.00 0.00 H new ATOM 1642 N GLU A 101 111.055 9.274 -3.468 1.00 0.00 N ATOM 1643 CA GLU A 101 111.280 7.829 -3.748 1.00 0.00 C ATOM 1644 C GLU A 101 112.783 7.513 -3.727 1.00 0.00 C ATOM 1645 O GLU A 101 113.292 6.972 -2.766 1.00 0.00 O ATOM 1646 CB GLU A 101 110.689 7.473 -5.117 1.00 0.00 C ATOM 1647 CG GLU A 101 109.385 8.242 -5.343 1.00 0.00 C ATOM 1648 CD GLU A 101 109.664 9.473 -6.207 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.809 9.893 -6.253 1.00 0.00 O ATOM 1650 OE2 GLU A 101 108.729 9.977 -6.808 1.00 0.00 O ATOM 0 H GLU A 101 110.441 9.750 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 101 110.788 7.236 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.404 7.714 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 101 110.502 6.401 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 101 108.651 7.600 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 101 108.958 8.544 -4.387 1.00 0.00 H new ATOM 1657 N TYR A 102 113.493 7.824 -4.783 1.00 0.00 N ATOM 1658 CA TYR A 102 114.955 7.525 -4.825 1.00 0.00 C ATOM 1659 C TYR A 102 115.606 7.795 -3.471 1.00 0.00 C ATOM 1660 O TYR A 102 116.190 6.917 -2.879 1.00 0.00 O ATOM 1661 CB TYR A 102 115.628 8.402 -5.895 1.00 0.00 C ATOM 1662 CG TYR A 102 117.108 8.070 -6.001 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.977 8.358 -4.934 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.616 7.478 -7.174 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.341 8.050 -5.041 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.976 7.172 -7.274 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.838 7.457 -6.209 1.00 0.00 C ATOM 1668 OH TYR A 102 121.182 7.156 -6.310 1.00 0.00 O ATOM 0 H TYR A 102 113.121 8.273 -5.620 1.00 0.00 H new ATOM 0 HA TYR A 102 115.083 6.471 -5.070 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.144 8.246 -6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.502 9.455 -5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.595 8.816 -4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.953 7.260 -7.998 1.00 0.00 H new ATOM 0 HE1 TYR A 102 120.009 8.270 -4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.362 6.715 -8.173 1.00 0.00 H new ATOM 0 HH TYR A 102 121.361 6.748 -7.183 1.00 0.00 H new ATOM 1678 N LEU A 103 115.542 9.000 -2.985 1.00 0.00 N ATOM 1679 CA LEU A 103 116.195 9.305 -1.682 1.00 0.00 C ATOM 1680 C LEU A 103 115.943 8.181 -0.676 1.00 0.00 C ATOM 1681 O LEU A 103 116.835 7.763 0.030 1.00 0.00 O ATOM 1682 CB LEU A 103 115.640 10.614 -1.123 1.00 0.00 C ATOM 1683 CG LEU A 103 116.756 11.655 -0.998 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.314 12.753 -0.036 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.036 11.006 -0.462 1.00 0.00 C ATOM 0 H LEU A 103 115.068 9.786 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 103 117.268 9.397 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.853 10.991 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.187 10.438 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 103 116.957 12.075 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.106 13.496 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.411 13.230 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.109 12.319 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.819 11.760 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.842 10.575 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.359 10.221 -1.145 1.00 0.00 H new ATOM 1697 N MET A 104 114.739 7.697 -0.592 1.00 0.00 N ATOM 1698 CA MET A 104 114.443 6.606 0.381 1.00 0.00 C ATOM 1699 C MET A 104 115.256 5.354 0.028 1.00 0.00 C ATOM 1700 O MET A 104 115.776 4.678 0.892 1.00 0.00 O ATOM 1701 CB MET A 104 112.952 6.273 0.334 1.00 0.00 C ATOM 1702 CG MET A 104 112.578 5.431 1.555 1.00 0.00 C ATOM 1703 SD MET A 104 111.296 6.285 2.507 1.00 0.00 S ATOM 1704 CE MET A 104 110.569 4.817 3.276 1.00 0.00 C ATOM 0 H MET A 104 113.945 8.007 -1.153 1.00 0.00 H new ATOM 0 HA MET A 104 114.714 6.938 1.383 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.364 7.191 0.318 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.719 5.729 -0.581 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.219 4.452 1.239 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.457 5.263 2.177 1.00 0.00 H new ATOM 0 HE1 MET A 104 109.520 4.738 2.990 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.104 3.928 2.941 1.00 0.00 H new ATOM 0 HE3 MET A 104 110.644 4.899 4.360 1.00 0.00 H new ATOM 1714 N TYR A 105 115.359 5.036 -1.234 1.00 0.00 N ATOM 1715 CA TYR A 105 116.127 3.823 -1.647 1.00 0.00 C ATOM 1716 C TYR A 105 117.619 4.010 -1.346 1.00 0.00 C ATOM 1717 O TYR A 105 118.224 3.213 -0.657 1.00 0.00 O ATOM 1718 CB TYR A 105 115.931 3.593 -3.145 1.00 0.00 C ATOM 1719 CG TYR A 105 116.906 2.549 -3.634 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.227 2.905 -3.928 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.486 1.224 -3.795 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.128 1.936 -4.383 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.385 0.255 -4.250 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.707 0.610 -4.544 1.00 0.00 C ATOM 1725 OH TYR A 105 119.596 -0.346 -4.993 1.00 0.00 O ATOM 0 H TYR A 105 114.943 5.565 -2.001 1.00 0.00 H new ATOM 0 HA TYR A 105 115.763 2.961 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.909 3.270 -3.342 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.080 4.526 -3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.551 3.928 -3.804 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.466 0.950 -3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.148 2.210 -4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.060 -0.767 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 105 119.143 -1.214 -5.048 1.00 0.00 H new ATOM 1735 N SER A 106 118.223 5.050 -1.858 1.00 0.00 N ATOM 1736 CA SER A 106 119.671 5.278 -1.591 1.00 0.00 C ATOM 1737 C SER A 106 119.907 5.250 -0.081 1.00 0.00 C ATOM 1738 O SER A 106 120.837 4.636 0.404 1.00 0.00 O ATOM 1739 CB SER A 106 120.085 6.640 -2.149 1.00 0.00 C ATOM 1740 OG SER A 106 121.172 7.149 -1.387 1.00 0.00 O ATOM 0 H SER A 106 117.775 5.750 -2.449 1.00 0.00 H new ATOM 0 HA SER A 106 120.263 4.499 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.373 6.545 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.244 7.332 -2.111 1.00 0.00 H new ATOM 0 HG SER A 106 121.441 8.022 -1.743 1.00 0.00 H new ATOM 1746 N ALA A 107 119.056 5.898 0.668 1.00 0.00 N ATOM 1747 CA ALA A 107 119.210 5.897 2.148 1.00 0.00 C ATOM 1748 C ALA A 107 118.991 4.467 2.644 1.00 0.00 C ATOM 1749 O ALA A 107 119.543 4.044 3.641 1.00 0.00 O ATOM 1750 CB ALA A 107 118.164 6.830 2.774 1.00 0.00 C ATOM 0 H ALA A 107 118.259 6.429 0.316 1.00 0.00 H new ATOM 0 HA ALA A 107 120.203 6.247 2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.278 6.829 3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.306 7.842 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.164 6.483 2.514 1.00 0.00 H new ATOM 1756 N LEU A 108 118.187 3.723 1.936 1.00 0.00 N ATOM 1757 CA LEU A 108 117.910 2.312 2.321 1.00 0.00 C ATOM 1758 C LEU A 108 119.070 1.423 1.863 1.00 0.00 C ATOM 1759 O LEU A 108 119.200 0.289 2.279 1.00 0.00 O ATOM 1760 CB LEU A 108 116.624 1.850 1.631 1.00 0.00 C ATOM 1761 CG LEU A 108 115.412 2.298 2.446 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.134 1.801 1.768 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.501 1.710 3.856 1.00 0.00 C ATOM 0 H LEU A 108 117.704 4.038 1.095 1.00 0.00 H new ATOM 0 HA LEU A 108 117.799 2.242 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.571 2.265 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.625 0.765 1.529 1.00 0.00 H new ATOM 0 HG LEU A 108 115.395 3.386 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.267 2.119 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.071 2.216 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.152 0.713 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.637 2.029 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.517 0.622 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.413 2.060 4.339 1.00 0.00 H new ATOM 1775 N THR A 109 119.912 1.928 1.006 1.00 0.00 N ATOM 1776 CA THR A 109 121.060 1.112 0.522 1.00 0.00 C ATOM 1777 C THR A 109 122.294 1.443 1.359 1.00 0.00 C ATOM 1778 O THR A 109 123.203 0.647 1.490 1.00 0.00 O ATOM 1779 CB THR A 109 121.333 1.432 -0.949 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.781 2.776 -1.064 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.047 1.249 -1.759 1.00 0.00 C ATOM 0 H THR A 109 119.855 2.870 0.620 1.00 0.00 H new ATOM 0 HA THR A 109 120.825 0.052 0.618 1.00 0.00 H new ATOM 0 HB THR A 109 122.100 0.759 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.463 3.294 -0.295 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.242 1.477 -2.807 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.704 0.218 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.278 1.921 -1.378 1.00 0.00 H new ATOM 1789 N ARG A 110 122.330 2.612 1.934 1.00 0.00 N ATOM 1790 CA ARG A 110 123.499 2.998 2.770 1.00 0.00 C ATOM 1791 C ARG A 110 123.267 2.509 4.201 1.00 0.00 C ATOM 1792 O ARG A 110 122.193 2.659 4.748 1.00 0.00 O ATOM 1793 CB ARG A 110 123.650 4.521 2.765 1.00 0.00 C ATOM 1794 CG ARG A 110 125.134 4.888 2.809 1.00 0.00 C ATOM 1795 CD ARG A 110 125.385 6.115 1.931 1.00 0.00 C ATOM 1796 NE ARG A 110 126.011 7.190 2.751 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.358 8.318 2.193 1.00 0.00 C ATOM 1798 NH1 ARG A 110 125.470 9.257 2.010 1.00 0.00 N ATOM 1799 NH2 ARG A 110 127.595 8.508 1.821 1.00 0.00 N ATOM 0 H ARG A 110 121.598 3.318 1.861 1.00 0.00 H new ATOM 0 HA ARG A 110 124.407 2.547 2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.188 4.940 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.133 4.951 3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.438 5.094 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.737 4.049 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 110 126.036 5.852 1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 110 124.447 6.468 1.503 1.00 0.00 H new ATOM 0 HE ARG A 110 126.168 7.045 3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 110 124.504 9.110 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 110 125.742 10.138 1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 110 128.290 7.775 1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 110 127.867 9.389 1.385 1.00 0.00 H new ATOM 1813 N ASP A 111 124.263 1.923 4.809 1.00 0.00 N ATOM 1814 CA ASP A 111 124.095 1.421 6.203 1.00 0.00 C ATOM 1815 C ASP A 111 123.322 2.453 7.030 1.00 0.00 C ATOM 1816 O ASP A 111 123.392 3.637 6.762 1.00 0.00 O ATOM 1817 CB ASP A 111 125.471 1.195 6.833 1.00 0.00 C ATOM 1818 CG ASP A 111 126.389 0.501 5.825 1.00 0.00 C ATOM 1819 OD1 ASP A 111 126.208 -0.687 5.611 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.255 1.168 5.286 1.00 0.00 O ATOM 0 H ASP A 111 125.185 1.770 4.401 1.00 0.00 H new ATOM 0 HA ASP A 111 123.543 0.482 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.903 2.148 7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.375 0.586 7.732 1.00 0.00 H new ATOM 1825 N PRO A 112 122.609 1.971 8.014 1.00 0.00 N ATOM 1826 CA PRO A 112 122.534 0.531 8.330 1.00 0.00 C ATOM 1827 C PRO A 112 121.536 -0.175 7.402 1.00 0.00 C ATOM 1828 O PRO A 112 121.249 -1.345 7.566 1.00 0.00 O ATOM 1829 CB PRO A 112 122.030 0.511 9.775 1.00 0.00 C ATOM 1830 CG PRO A 112 121.312 1.863 10.007 1.00 0.00 C ATOM 1831 CD PRO A 112 121.819 2.828 8.917 1.00 0.00 C ATOM 0 HA PRO A 112 123.486 0.016 8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.348 -0.324 9.937 1.00 0.00 H new ATOM 0 HB3 PRO A 112 122.858 0.386 10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.231 1.742 9.944 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.532 2.252 11.001 1.00 0.00 H new ATOM 0 HD2 PRO A 112 120.992 3.305 8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.428 3.625 9.343 1.00 0.00 H new ATOM 1839 N PHE A 113 121.000 0.523 6.436 1.00 0.00 N ATOM 1840 CA PHE A 113 120.017 -0.118 5.512 1.00 0.00 C ATOM 1841 C PHE A 113 120.758 -0.870 4.402 1.00 0.00 C ATOM 1842 O PHE A 113 121.365 -0.276 3.534 1.00 0.00 O ATOM 1843 CB PHE A 113 119.125 0.955 4.884 1.00 0.00 C ATOM 1844 CG PHE A 113 118.350 1.667 5.965 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.369 0.981 6.688 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.611 3.013 6.242 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.649 1.637 7.689 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.892 3.672 7.244 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.910 2.984 7.968 1.00 0.00 C ATOM 0 H PHE A 113 121.199 1.505 6.247 1.00 0.00 H new ATOM 0 HA PHE A 113 119.404 -0.819 6.078 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.734 1.669 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.438 0.499 4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.168 -0.058 6.472 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.367 3.543 5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 113 115.892 1.106 8.247 1.00 0.00 H new ATOM 0 HE2 PHE A 113 118.094 4.711 7.460 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.354 3.493 8.742 1.00 0.00 H new ATOM 1859 N SER A 114 120.709 -2.175 4.422 1.00 0.00 N ATOM 1860 CA SER A 114 121.407 -2.966 3.367 1.00 0.00 C ATOM 1861 C SER A 114 120.448 -3.223 2.201 1.00 0.00 C ATOM 1862 O SER A 114 119.373 -2.659 2.132 1.00 0.00 O ATOM 1863 CB SER A 114 121.869 -4.302 3.949 1.00 0.00 C ATOM 1864 OG SER A 114 121.231 -4.515 5.201 1.00 0.00 O ATOM 0 H SER A 114 120.216 -2.728 5.123 1.00 0.00 H new ATOM 0 HA SER A 114 122.272 -2.407 3.010 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.628 -5.114 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 114 122.952 -4.302 4.075 1.00 0.00 H new ATOM 0 HG SER A 114 121.524 -5.372 5.576 1.00 0.00 H new ATOM 1870 N VAL A 115 120.829 -4.069 1.282 1.00 0.00 N ATOM 1871 CA VAL A 115 119.942 -4.361 0.121 1.00 0.00 C ATOM 1872 C VAL A 115 119.771 -5.876 -0.026 1.00 0.00 C ATOM 1873 O VAL A 115 120.648 -6.645 0.314 1.00 0.00 O ATOM 1874 CB VAL A 115 120.577 -3.796 -1.149 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.622 -3.991 -2.328 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.854 -2.304 -0.958 1.00 0.00 C ATOM 0 H VAL A 115 121.717 -4.571 1.286 1.00 0.00 H new ATOM 0 HA VAL A 115 118.967 -3.902 0.281 1.00 0.00 H new ATOM 0 HB VAL A 115 121.513 -4.317 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.075 -3.588 -3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.424 -5.054 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.686 -3.470 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.307 -1.899 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 115 119.918 -1.783 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.535 -2.165 -0.118 1.00 0.00 H new ATOM 1886 N ILE A 116 118.647 -6.310 -0.530 1.00 0.00 N ATOM 1887 CA ILE A 116 118.422 -7.775 -0.697 1.00 0.00 C ATOM 1888 C ILE A 116 118.176 -8.095 -2.173 1.00 0.00 C ATOM 1889 O ILE A 116 118.915 -8.839 -2.786 1.00 0.00 O ATOM 1890 CB ILE A 116 117.205 -8.207 0.124 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.508 -8.035 1.615 1.00 0.00 C ATOM 1892 CG2 ILE A 116 116.891 -9.677 -0.163 1.00 0.00 C ATOM 1893 CD1 ILE A 116 117.335 -6.566 2.001 1.00 0.00 C ATOM 0 H ILE A 116 117.876 -5.715 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 116 119.304 -8.313 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 116 116.348 -7.591 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 116 116.840 -8.660 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 116 118.525 -8.362 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.024 -9.985 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 116 116.676 -9.803 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 116 117.749 -10.292 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 116 117.550 -6.441 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 116 118.021 -5.953 1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.310 -6.255 1.800 1.00 0.00 H new ATOM 1905 N GLU A 117 117.140 -7.546 -2.751 1.00 0.00 N ATOM 1906 CA GLU A 117 116.857 -7.836 -4.188 1.00 0.00 C ATOM 1907 C GLU A 117 116.218 -6.614 -4.853 1.00 0.00 C ATOM 1908 O GLU A 117 115.888 -5.642 -4.203 1.00 0.00 O ATOM 1909 CB GLU A 117 115.901 -9.028 -4.285 1.00 0.00 C ATOM 1910 CG GLU A 117 116.573 -10.159 -5.066 1.00 0.00 C ATOM 1911 CD GLU A 117 115.661 -11.387 -5.074 1.00 0.00 C ATOM 1912 OE1 GLU A 117 114.511 -11.244 -5.453 1.00 0.00 O ATOM 1913 OE2 GLU A 117 116.131 -12.451 -4.704 1.00 0.00 O ATOM 0 H GLU A 117 116.482 -6.914 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 117 117.792 -8.071 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 117 115.630 -9.372 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 117 114.978 -8.728 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 117 116.777 -9.838 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.532 -10.408 -4.612 1.00 0.00 H new ATOM 1920 N GLU A 118 116.040 -6.657 -6.149 1.00 0.00 N ATOM 1921 CA GLU A 118 115.421 -5.498 -6.857 1.00 0.00 C ATOM 1922 C GLU A 118 114.970 -5.923 -8.256 1.00 0.00 C ATOM 1923 O GLU A 118 115.320 -6.981 -8.739 1.00 0.00 O ATOM 1924 CB GLU A 118 116.439 -4.359 -6.978 1.00 0.00 C ATOM 1925 CG GLU A 118 117.859 -4.930 -7.018 1.00 0.00 C ATOM 1926 CD GLU A 118 118.043 -5.755 -8.292 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.391 -5.173 -9.307 1.00 0.00 O ATOM 1928 OE2 GLU A 118 117.833 -6.956 -8.234 1.00 0.00 O ATOM 0 H GLU A 118 116.296 -7.443 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 118 114.558 -5.156 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.245 -3.781 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.336 -3.677 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.588 -4.121 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.037 -5.552 -6.141 1.00 0.00 H new ATOM 1935 N SER A 119 114.195 -5.101 -8.910 1.00 0.00 N ATOM 1936 CA SER A 119 113.717 -5.446 -10.279 1.00 0.00 C ATOM 1937 C SER A 119 114.438 -4.570 -11.305 1.00 0.00 C ATOM 1938 O SER A 119 114.414 -4.836 -12.490 1.00 0.00 O ATOM 1939 CB SER A 119 112.209 -5.204 -10.370 1.00 0.00 C ATOM 1940 OG SER A 119 111.778 -5.428 -11.706 1.00 0.00 O ATOM 0 H SER A 119 113.871 -4.202 -8.553 1.00 0.00 H new ATOM 0 HA SER A 119 113.928 -6.495 -10.484 1.00 0.00 H new ATOM 0 HB2 SER A 119 111.680 -5.870 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 119 111.974 -4.184 -10.066 1.00 0.00 H new ATOM 0 HG SER A 119 110.812 -5.275 -11.768 1.00 0.00 H new ATOM 1946 N LEU A 120 115.084 -3.528 -10.858 1.00 0.00 N ATOM 1947 CA LEU A 120 115.812 -2.638 -11.805 1.00 0.00 C ATOM 1948 C LEU A 120 117.153 -3.286 -12.166 1.00 0.00 C ATOM 1949 O LEU A 120 117.750 -3.960 -11.351 1.00 0.00 O ATOM 1950 CB LEU A 120 116.067 -1.282 -11.137 1.00 0.00 C ATOM 1951 CG LEU A 120 114.962 -0.296 -11.527 1.00 0.00 C ATOM 1952 CD1 LEU A 120 115.007 0.920 -10.600 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.177 0.166 -12.967 1.00 0.00 C ATOM 0 H LEU A 120 115.139 -3.255 -9.877 1.00 0.00 H new ATOM 0 HA LEU A 120 115.216 -2.492 -12.706 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.096 -1.400 -10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.038 -0.893 -11.442 1.00 0.00 H new ATOM 0 HG LEU A 120 113.994 -0.788 -11.438 1.00 0.00 H new ATOM 0 HD11 LEU A 120 114.220 1.620 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.857 0.598 -9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.977 1.410 -10.689 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.391 0.868 -13.245 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.147 0.656 -13.051 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.147 -0.696 -13.634 1.00 0.00 H new ATOM 1965 N PRO A 121 117.588 -3.057 -13.378 1.00 0.00 N ATOM 1966 CA PRO A 121 118.861 -3.604 -13.877 1.00 0.00 C ATOM 1967 C PRO A 121 120.032 -2.803 -13.302 1.00 0.00 C ATOM 1968 O PRO A 121 121.146 -3.280 -13.218 1.00 0.00 O ATOM 1969 CB PRO A 121 118.759 -3.429 -15.395 1.00 0.00 C ATOM 1970 CG PRO A 121 117.720 -2.307 -15.633 1.00 0.00 C ATOM 1971 CD PRO A 121 116.856 -2.231 -14.360 1.00 0.00 C ATOM 0 HA PRO A 121 119.032 -4.642 -13.592 1.00 0.00 H new ATOM 0 HB2 PRO A 121 119.726 -3.161 -15.821 1.00 0.00 H new ATOM 0 HB3 PRO A 121 118.446 -4.357 -15.873 1.00 0.00 H new ATOM 0 HG2 PRO A 121 118.215 -1.355 -15.823 1.00 0.00 H new ATOM 0 HG3 PRO A 121 117.105 -2.527 -16.506 1.00 0.00 H new ATOM 0 HD2 PRO A 121 116.746 -1.203 -14.013 1.00 0.00 H new ATOM 0 HD3 PRO A 121 115.852 -2.617 -14.536 1.00 0.00 H new ATOM 1979 N GLY A 122 119.776 -1.592 -12.895 1.00 0.00 N ATOM 1980 CA GLY A 122 120.858 -0.751 -12.312 1.00 0.00 C ATOM 1981 C GLY A 122 120.326 -0.064 -11.054 1.00 0.00 C ATOM 1982 O GLY A 122 120.899 0.887 -10.562 1.00 0.00 O ATOM 0 H GLY A 122 118.860 -1.146 -12.941 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.724 -1.366 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.189 -0.007 -13.037 1.00 0.00 H new ATOM 1986 N GLY A 123 119.226 -0.541 -10.535 1.00 0.00 N ATOM 1987 CA GLY A 123 118.646 0.082 -9.312 1.00 0.00 C ATOM 1988 C GLY A 123 118.081 1.460 -9.662 1.00 0.00 C ATOM 1989 O GLY A 123 117.645 1.699 -10.771 1.00 0.00 O ATOM 0 H GLY A 123 118.705 -1.335 -10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.859 -0.553 -8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 123 119.411 0.176 -8.541 1.00 0.00 H new ATOM 1993 N LEU A 124 118.086 2.366 -8.726 1.00 0.00 N ATOM 1994 CA LEU A 124 117.553 3.729 -8.999 1.00 0.00 C ATOM 1995 C LEU A 124 118.682 4.663 -9.461 1.00 0.00 C ATOM 1996 O LEU A 124 119.849 4.383 -9.271 1.00 0.00 O ATOM 1997 CB LEU A 124 116.919 4.280 -7.734 1.00 0.00 C ATOM 1998 CG LEU A 124 115.465 4.636 -8.000 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.527 3.551 -7.464 1.00 0.00 C ATOM 2000 CD2 LEU A 124 115.177 5.941 -7.290 1.00 0.00 C ATOM 0 H LEU A 124 118.438 2.221 -7.780 1.00 0.00 H new ATOM 0 HA LEU A 124 116.806 3.668 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.982 3.543 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 124 117.463 5.162 -7.398 1.00 0.00 H new ATOM 0 HG LEU A 124 115.299 4.723 -9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.493 3.831 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.750 2.603 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.669 3.446 -6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 124 114.139 6.227 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 124 115.349 5.819 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 124 115.835 6.719 -7.677 1.00 0.00 H new