USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -2.89! C(o=-2.8!,f=-6.7!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.00546 USER MOD Set 1.3: A 98 SER OG : rot -95:sc= 0.0384 USER MOD Set 2.1: A 73 SER OG : rot -149:sc= -3.31! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -3.01! C(o=-6.3!,f=-7!) USER MOD Single : A 11 SER OG : rot -12:sc= 0.9! USER MOD Single : A 17 ASN :FLIP amide:sc= -0.5 F(o=-1.6!,f=-0.5) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -170:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.705 USER MOD Single : A 33 TYR OH : rot -121:sc= -1.1 USER MOD Single : A 34 SER OG : rot 27:sc= 0.158 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.368 F(o=-2.7,f=-0.37) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -7.48! C(o=-8.1!,f=-7.5!) USER MOD Single : A 45 SER OG : rot -61:sc= 0.415 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -50:sc= -4.93! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.17 K(o=-2.2,f=-3.2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.00599) USER MOD Single : A 72 GLN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.026) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 64:sc= 1.68 USER MOD Single : A 97 TYR OH : rot 81:sc= -3.24 USER MOD Single : A 100 ASN : amide:sc= -7.41! C(o=-7.4!,f=-14!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.117 F(o=-0.67,f=-0.12) USER MOD Single : A 109 SER OG : rot -62:sc= -5.65! USER MOD Single : A 114 SER OG : rot 5:sc= -1.83! USER MOD Single : A 119 SER OG : rot -166:sc= -1.78! USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 30.410 -5.679 0.672 1.00 0.00 N ATOM 26 CA ARG A 8 29.021 -5.342 0.380 1.00 0.00 C ATOM 27 C ARG A 8 28.723 -3.891 0.741 1.00 0.00 C ATOM 28 O ARG A 8 29.627 -3.124 1.072 1.00 0.00 O ATOM 29 CB ARG A 8 28.076 -6.269 1.149 1.00 0.00 C ATOM 30 CG ARG A 8 28.358 -7.748 0.937 1.00 0.00 C ATOM 31 CD ARG A 8 27.617 -8.608 1.947 1.00 0.00 C ATOM 32 NE ARG A 8 27.978 -8.273 3.322 1.00 0.00 N ATOM 33 CZ ARG A 8 27.572 -8.968 4.379 1.00 0.00 C ATOM 34 NH1 ARG A 8 26.794 -10.030 4.217 1.00 0.00 N ATOM 35 NH2 ARG A 8 27.942 -8.602 5.598 1.00 0.00 N ATOM 0 HA ARG A 8 28.862 -5.473 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.148 -6.044 2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.050 -6.058 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 8 28.062 -8.035 -0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.429 -7.930 1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 8 26.543 -8.480 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 8 27.839 -9.659 1.760 1.00 0.00 H new ATOM 0 HE ARG A 8 28.575 -7.461 3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 8 26.507 -10.314 3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 8 26.483 -10.563 5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 8 28.540 -7.785 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 8 27.629 -9.137 6.408 1.00 0.00 H new ATOM 49 N CYS A 9 27.449 -3.525 0.677 1.00 0.00 N ATOM 50 CA CYS A 9 27.019 -2.176 1.012 1.00 0.00 C ATOM 51 C CYS A 9 26.581 -2.106 2.470 1.00 0.00 C ATOM 52 O CYS A 9 26.273 -3.129 3.081 1.00 0.00 O ATOM 53 CB CYS A 9 25.865 -1.753 0.103 1.00 0.00 C ATOM 54 SG CYS A 9 26.370 -1.298 -1.587 1.00 0.00 S ATOM 0 H CYS A 9 26.693 -4.148 0.394 1.00 0.00 H new ATOM 0 HA CYS A 9 27.858 -1.497 0.864 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.144 -2.569 0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.352 -0.905 0.557 1.00 0.00 H new ATOM 59 N PRO A 10 26.551 -0.899 3.052 1.00 0.00 N ATOM 60 CA PRO A 10 26.125 -0.711 4.438 1.00 0.00 C ATOM 61 C PRO A 10 24.639 -0.991 4.603 1.00 0.00 C ATOM 62 O PRO A 10 23.909 -1.095 3.619 1.00 0.00 O ATOM 63 CB PRO A 10 26.436 0.757 4.716 1.00 0.00 C ATOM 64 CG PRO A 10 26.379 1.403 3.380 1.00 0.00 C ATOM 65 CD PRO A 10 26.885 0.378 2.401 1.00 0.00 C ATOM 0 HA PRO A 10 26.629 -1.390 5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.710 1.195 5.401 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.418 0.876 5.174 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.361 1.706 3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.994 2.303 3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.400 0.474 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.957 0.476 2.233 1.00 0.00 H new ATOM 73 N SER A 11 24.197 -1.126 5.844 1.00 0.00 N ATOM 74 CA SER A 11 22.802 -1.422 6.122 1.00 0.00 C ATOM 75 C SER A 11 21.876 -0.444 5.401 1.00 0.00 C ATOM 76 O SER A 11 21.737 0.707 5.813 1.00 0.00 O ATOM 77 CB SER A 11 22.542 -1.380 7.625 1.00 0.00 C ATOM 78 OG SER A 11 22.189 -0.077 8.054 1.00 0.00 O ATOM 0 H SER A 11 24.784 -1.035 6.673 1.00 0.00 H new ATOM 0 HA SER A 11 22.591 -2.425 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 11 21.742 -2.076 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 11 23.433 -1.711 8.159 1.00 0.00 H new ATOM 0 HG SER A 11 22.367 0.564 7.334 1.00 0.00 H new ATOM 84 N PRO A 12 21.218 -0.888 4.312 1.00 0.00 N ATOM 85 CA PRO A 12 20.319 -0.039 3.540 1.00 0.00 C ATOM 86 C PRO A 12 19.457 0.854 4.424 1.00 0.00 C ATOM 87 O PRO A 12 19.294 0.594 5.616 1.00 0.00 O ATOM 88 CB PRO A 12 19.437 -1.027 2.774 1.00 0.00 C ATOM 89 CG PRO A 12 20.061 -2.382 2.928 1.00 0.00 C ATOM 90 CD PRO A 12 21.324 -2.232 3.729 1.00 0.00 C ATOM 0 HA PRO A 12 20.875 0.641 2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.421 -1.023 3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.371 -0.750 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.372 -3.062 3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.280 -2.812 1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.400 -2.997 4.501 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.209 -2.325 3.100 1.00 0.00 H new ATOM 98 N ARG A 13 18.911 1.910 3.832 1.00 0.00 N ATOM 99 CA ARG A 13 18.049 2.824 4.550 1.00 0.00 C ATOM 100 C ARG A 13 16.745 2.138 4.906 1.00 0.00 C ATOM 101 O ARG A 13 16.468 1.040 4.432 1.00 0.00 O ATOM 102 CB ARG A 13 17.782 4.057 3.694 1.00 0.00 C ATOM 103 CG ARG A 13 18.301 5.343 4.307 1.00 0.00 C ATOM 104 CD ARG A 13 17.164 6.300 4.592 1.00 0.00 C ATOM 105 NE ARG A 13 17.487 7.236 5.665 1.00 0.00 N ATOM 106 CZ ARG A 13 16.726 8.277 5.987 1.00 0.00 C ATOM 107 NH1 ARG A 13 17.087 9.084 6.975 1.00 0.00 N ATOM 108 NH2 ARG A 13 15.603 8.511 5.322 1.00 0.00 N ATOM 0 H ARG A 13 19.055 2.150 2.851 1.00 0.00 H new ATOM 0 HA ARG A 13 18.542 3.133 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.244 3.918 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.709 4.150 3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.835 5.121 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.015 5.811 3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.924 6.857 3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.273 5.733 4.863 1.00 0.00 H new ATOM 0 HE ARG A 13 18.344 7.083 6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.950 8.906 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.502 9.883 7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.322 7.892 4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.020 9.310 5.571 1.00 0.00 H new ATOM 122 N ASP A 14 15.952 2.779 5.747 1.00 0.00 N ATOM 123 CA ASP A 14 14.698 2.195 6.185 1.00 0.00 C ATOM 124 C ASP A 14 13.502 2.994 5.693 1.00 0.00 C ATOM 125 O ASP A 14 13.641 3.939 4.916 1.00 0.00 O ATOM 126 CB ASP A 14 14.674 2.107 7.706 1.00 0.00 C ATOM 127 CG ASP A 14 14.049 0.819 8.205 1.00 0.00 C ATOM 128 OD1 ASP A 14 13.290 0.873 9.196 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.318 -0.243 7.606 1.00 0.00 O ATOM 0 H ASP A 14 16.153 3.699 6.138 1.00 0.00 H new ATOM 0 HA ASP A 14 14.627 1.195 5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.692 2.184 8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.119 2.955 8.107 1.00 0.00 H new ATOM 134 N ILE A 15 12.325 2.597 6.154 1.00 0.00 N ATOM 135 CA ILE A 15 11.083 3.252 5.767 1.00 0.00 C ATOM 136 C ILE A 15 10.066 3.199 6.900 1.00 0.00 C ATOM 137 O ILE A 15 10.053 2.256 7.691 1.00 0.00 O ATOM 138 CB ILE A 15 10.470 2.591 4.520 1.00 0.00 C ATOM 139 CG1 ILE A 15 9.158 3.279 4.137 1.00 0.00 C ATOM 140 CG2 ILE A 15 10.236 1.111 4.773 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.714 2.979 2.726 1.00 0.00 C ATOM 0 H ILE A 15 12.203 1.818 6.802 1.00 0.00 H new ATOM 0 HA ILE A 15 11.325 4.290 5.541 1.00 0.00 H new ATOM 0 HB ILE A 15 11.169 2.699 3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.377 2.967 4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.274 4.357 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.802 0.654 3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.185 0.627 5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.553 0.989 5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.778 3.498 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.477 3.317 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.566 1.905 2.612 1.00 0.00 H new ATOM 153 N ASP A 16 9.206 4.207 6.964 1.00 0.00 N ATOM 154 CA ASP A 16 8.157 4.242 7.970 1.00 0.00 C ATOM 155 C ASP A 16 6.910 3.565 7.427 1.00 0.00 C ATOM 156 O ASP A 16 6.765 3.395 6.216 1.00 0.00 O ATOM 157 CB ASP A 16 7.828 5.679 8.379 1.00 0.00 C ATOM 158 CG ASP A 16 9.023 6.611 8.291 1.00 0.00 C ATOM 159 OD1 ASP A 16 9.881 6.564 9.197 1.00 0.00 O ATOM 160 OD2 ASP A 16 9.098 7.389 7.316 1.00 0.00 O ATOM 0 H ASP A 16 9.215 5.008 6.333 1.00 0.00 H new ATOM 0 HA ASP A 16 8.512 3.711 8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.031 6.059 7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.447 5.682 9.400 1.00 0.00 H new ATOM 165 N ASN A 17 6.026 3.147 8.321 1.00 0.00 N ATOM 166 CA ASN A 17 4.797 2.465 7.918 1.00 0.00 C ATOM 167 C ASN A 17 5.100 1.384 6.879 1.00 0.00 C ATOM 168 O ASN A 17 4.265 1.072 6.031 1.00 0.00 O ATOM 169 CB ASN A 17 3.780 3.462 7.343 1.00 0.00 C ATOM 170 CG ASN A 17 3.921 4.862 7.918 1.00 0.00 C ATOM 171 OD1 ASN A 17 4.306 4.949 9.186 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 3.688 5.854 7.227 1.00 0.00 N flip ATOM 0 H ASN A 17 6.133 3.266 9.328 1.00 0.00 H new ATOM 0 HA ASN A 17 4.368 1.999 8.805 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.898 3.508 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.772 3.096 7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.394 5.742 6.257 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.789 6.788 7.625 1.00 0.00 H new ATOM 179 N GLY A 18 6.319 0.851 6.931 1.00 0.00 N ATOM 180 CA GLY A 18 6.731 -0.168 5.983 1.00 0.00 C ATOM 181 C GLY A 18 7.985 -0.898 6.425 1.00 0.00 C ATOM 182 O GLY A 18 8.630 -0.504 7.397 1.00 0.00 O ATOM 0 H GLY A 18 7.030 1.109 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.922 -0.887 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.906 0.294 5.011 1.00 0.00 H new ATOM 186 N GLN A 19 8.320 -1.977 5.723 1.00 0.00 N ATOM 187 CA GLN A 19 9.502 -2.765 6.041 1.00 0.00 C ATOM 188 C GLN A 19 10.252 -3.135 4.768 1.00 0.00 C ATOM 189 O GLN A 19 9.669 -3.194 3.686 1.00 0.00 O ATOM 190 CB GLN A 19 9.118 -4.039 6.801 1.00 0.00 C ATOM 191 CG GLN A 19 7.878 -3.893 7.669 1.00 0.00 C ATOM 192 CD GLN A 19 8.027 -4.568 9.018 1.00 0.00 C ATOM 193 OE1 GLN A 19 7.757 -5.760 9.163 1.00 0.00 O ATOM 194 NE2 GLN A 19 8.461 -3.806 10.015 1.00 0.00 N ATOM 0 H GLN A 19 7.785 -2.325 4.927 1.00 0.00 H new ATOM 0 HA GLN A 19 10.150 -2.160 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.953 -4.842 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.956 -4.341 7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.666 -2.834 7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.021 -4.319 7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.673 -2.822 9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.582 -4.205 10.946 1.00 0.00 H new ATOM 203 N LEU A 20 11.544 -3.391 4.908 1.00 0.00 N ATOM 204 CA LEU A 20 12.379 -3.749 3.771 1.00 0.00 C ATOM 205 C LEU A 20 12.461 -5.262 3.600 1.00 0.00 C ATOM 206 O LEU A 20 12.172 -6.022 4.524 1.00 0.00 O ATOM 207 CB LEU A 20 13.784 -3.181 3.942 1.00 0.00 C ATOM 208 CG LEU A 20 13.882 -1.926 4.806 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.257 -1.311 4.667 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.812 -0.917 4.422 1.00 0.00 C ATOM 0 H LEU A 20 12.038 -3.357 5.800 1.00 0.00 H new ATOM 0 HA LEU A 20 11.921 -3.322 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.419 -3.952 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.189 -2.955 2.956 1.00 0.00 H new ATOM 0 HG LEU A 20 13.721 -2.210 5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.320 -0.416 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.011 -2.029 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.433 -1.044 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.903 -0.032 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.938 -0.633 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.826 -1.361 4.561 1.00 0.00 H new ATOM 222 N ASP A 21 12.880 -5.685 2.415 1.00 0.00 N ATOM 223 CA ASP A 21 13.052 -7.101 2.115 1.00 0.00 C ATOM 224 C ASP A 21 14.439 -7.333 1.531 1.00 0.00 C ATOM 225 O ASP A 21 14.597 -7.489 0.320 1.00 0.00 O ATOM 226 CB ASP A 21 11.980 -7.577 1.134 1.00 0.00 C ATOM 227 CG ASP A 21 11.635 -9.041 1.322 1.00 0.00 C ATOM 228 OD1 ASP A 21 12.300 -9.706 2.144 1.00 0.00 O ATOM 229 OD2 ASP A 21 10.701 -9.523 0.648 1.00 0.00 O ATOM 0 H ASP A 21 13.109 -5.063 1.640 1.00 0.00 H new ATOM 0 HA ASP A 21 12.949 -7.673 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.080 -6.975 1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.328 -7.416 0.114 1.00 0.00 H new ATOM 234 N ILE A 22 15.446 -7.285 2.396 1.00 0.00 N ATOM 235 CA ILE A 22 16.835 -7.405 1.967 1.00 0.00 C ATOM 236 C ILE A 22 17.209 -8.836 1.606 1.00 0.00 C ATOM 237 O ILE A 22 17.477 -9.660 2.480 1.00 0.00 O ATOM 238 CB ILE A 22 17.814 -6.896 3.046 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.206 -5.718 3.820 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.134 -6.501 2.403 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.197 -4.953 4.677 1.00 0.00 C ATOM 0 H ILE A 22 15.326 -7.163 3.402 1.00 0.00 H new ATOM 0 HA ILE A 22 16.920 -6.783 1.076 1.00 0.00 H new ATOM 0 HB ILE A 22 18.001 -7.700 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.751 -5.028 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.406 -6.093 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.820 -6.143 3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.569 -7.367 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 22 18.961 -5.710 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.683 -4.139 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.635 -5.625 5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.985 -4.545 4.045 1.00 0.00 H new ATOM 253 N GLY A 23 17.276 -9.106 0.308 1.00 0.00 N ATOM 254 CA GLY A 23 17.708 -10.408 -0.158 1.00 0.00 C ATOM 255 C GLY A 23 19.155 -10.384 -0.625 1.00 0.00 C ATOM 256 O GLY A 23 19.621 -11.320 -1.275 1.00 0.00 O ATOM 0 H GLY A 23 17.038 -8.444 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.596 -11.138 0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.066 -10.733 -0.977 1.00 0.00 H new ATOM 260 N GLY A 24 19.865 -9.303 -0.294 1.00 0.00 N ATOM 261 CA GLY A 24 21.253 -9.162 -0.693 1.00 0.00 C ATOM 262 C GLY A 24 21.749 -7.741 -0.499 1.00 0.00 C ATOM 263 O GLY A 24 21.029 -6.786 -0.787 1.00 0.00 O ATOM 0 H GLY A 24 19.497 -8.520 0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 24 21.871 -9.846 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.362 -9.446 -1.740 1.00 0.00 H new ATOM 267 N VAL A 25 22.969 -7.594 0.009 1.00 0.00 N ATOM 268 CA VAL A 25 23.526 -6.270 0.265 1.00 0.00 C ATOM 269 C VAL A 25 24.880 -6.067 -0.417 1.00 0.00 C ATOM 270 O VAL A 25 25.497 -5.012 -0.270 1.00 0.00 O ATOM 271 CB VAL A 25 23.689 -6.016 1.775 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.332 -5.832 2.438 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.460 -7.153 2.428 1.00 0.00 C ATOM 0 H VAL A 25 23.587 -8.369 0.250 1.00 0.00 H new ATOM 0 HA VAL A 25 22.815 -5.558 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 25 24.259 -5.097 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.469 -5.654 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 25 21.821 -4.980 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.732 -6.731 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.565 -6.956 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 25 23.920 -8.089 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.448 -7.230 1.974 1.00 0.00 H new ATOM 283 N ASP A 26 25.343 -7.068 -1.163 1.00 0.00 N ATOM 284 CA ASP A 26 26.624 -6.962 -1.851 1.00 0.00 C ATOM 285 C ASP A 26 26.530 -5.995 -3.024 1.00 0.00 C ATOM 286 O ASP A 26 25.437 -5.622 -3.449 1.00 0.00 O ATOM 287 CB ASP A 26 27.091 -8.334 -2.338 1.00 0.00 C ATOM 288 CG ASP A 26 28.510 -8.316 -2.871 1.00 0.00 C ATOM 289 OD1 ASP A 26 28.709 -8.705 -4.041 1.00 0.00 O ATOM 290 OD2 ASP A 26 29.422 -7.914 -2.119 1.00 0.00 O ATOM 0 H ASP A 26 24.855 -7.952 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 26 27.355 -6.576 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.025 -9.048 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 26 26.418 -8.685 -3.120 1.00 0.00 H new ATOM 295 N PHE A 27 27.684 -5.584 -3.531 1.00 0.00 N ATOM 296 CA PHE A 27 27.738 -4.650 -4.648 1.00 0.00 C ATOM 297 C PHE A 27 26.988 -5.199 -5.854 1.00 0.00 C ATOM 298 O PHE A 27 27.561 -5.895 -6.693 1.00 0.00 O ATOM 299 CB PHE A 27 29.189 -4.353 -5.031 1.00 0.00 C ATOM 300 CG PHE A 27 29.323 -3.360 -6.151 1.00 0.00 C ATOM 301 CD1 PHE A 27 28.389 -2.348 -6.316 1.00 0.00 C ATOM 302 CD2 PHE A 27 30.384 -3.438 -7.039 1.00 0.00 C ATOM 303 CE1 PHE A 27 28.511 -1.435 -7.346 1.00 0.00 C ATOM 304 CE2 PHE A 27 30.511 -2.527 -8.070 1.00 0.00 C ATOM 305 CZ PHE A 27 29.574 -1.525 -8.224 1.00 0.00 C ATOM 0 H PHE A 27 28.596 -5.883 -3.186 1.00 0.00 H new ATOM 0 HA PHE A 27 27.258 -3.724 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 27 29.717 -3.975 -4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 27 29.678 -5.283 -5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 27 27.557 -2.273 -5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 27 31.120 -4.220 -6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 27 27.776 -0.652 -7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 27 31.343 -2.599 -8.755 1.00 0.00 H new ATOM 0 HZ PHE A 27 29.672 -0.812 -9.030 1.00 0.00 H new ATOM 315 N GLY A 28 25.703 -4.879 -5.935 1.00 0.00 N ATOM 316 CA GLY A 28 24.893 -5.343 -7.042 1.00 0.00 C ATOM 317 C GLY A 28 23.595 -5.994 -6.596 1.00 0.00 C ATOM 318 O GLY A 28 22.784 -6.400 -7.429 1.00 0.00 O ATOM 0 H GLY A 28 25.208 -4.306 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.665 -4.501 -7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.468 -6.058 -7.631 1.00 0.00 H new ATOM 322 N SER A 29 23.393 -6.104 -5.283 1.00 0.00 N ATOM 323 CA SER A 29 22.177 -6.704 -4.752 1.00 0.00 C ATOM 324 C SER A 29 21.045 -5.685 -4.731 1.00 0.00 C ATOM 325 O SER A 29 21.282 -4.481 -4.825 1.00 0.00 O ATOM 326 CB SER A 29 22.420 -7.244 -3.342 1.00 0.00 C ATOM 327 OG SER A 29 23.335 -8.327 -3.361 1.00 0.00 O ATOM 0 H SER A 29 24.054 -5.786 -4.574 1.00 0.00 H new ATOM 0 HA SER A 29 21.892 -7.532 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.807 -6.448 -2.706 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.475 -7.569 -2.906 1.00 0.00 H new ATOM 0 HG SER A 29 23.354 -8.755 -2.479 1.00 0.00 H new ATOM 333 N SER A 30 19.814 -6.171 -4.621 1.00 0.00 N ATOM 334 CA SER A 30 18.656 -5.290 -4.586 1.00 0.00 C ATOM 335 C SER A 30 17.728 -5.655 -3.435 1.00 0.00 C ATOM 336 O SER A 30 17.632 -6.818 -3.044 1.00 0.00 O ATOM 337 CB SER A 30 17.892 -5.346 -5.912 1.00 0.00 C ATOM 338 OG SER A 30 17.961 -6.639 -6.488 1.00 0.00 O ATOM 0 H SER A 30 19.594 -7.165 -4.555 1.00 0.00 H new ATOM 0 HA SER A 30 19.017 -4.273 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.850 -5.074 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.306 -4.614 -6.605 1.00 0.00 H new ATOM 0 HG SER A 30 17.464 -6.648 -7.332 1.00 0.00 H new ATOM 344 N ILE A 31 17.047 -4.650 -2.896 1.00 0.00 N ATOM 345 CA ILE A 31 16.129 -4.857 -1.781 1.00 0.00 C ATOM 346 C ILE A 31 14.683 -4.704 -2.239 1.00 0.00 C ATOM 347 O ILE A 31 14.422 -4.266 -3.359 1.00 0.00 O ATOM 348 CB ILE A 31 16.386 -3.866 -0.621 1.00 0.00 C ATOM 349 CG1 ILE A 31 17.815 -3.320 -0.651 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.126 -4.536 0.712 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.055 -2.232 0.370 1.00 0.00 C ATOM 0 H ILE A 31 17.113 -3.683 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 31 16.305 -5.870 -1.420 1.00 0.00 H new ATOM 0 HB ILE A 31 15.699 -3.029 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.514 -4.137 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.028 -2.930 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.311 -3.826 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.090 -4.871 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.790 -5.393 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.086 -1.887 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.379 -1.398 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.873 -2.625 1.370 1.00 0.00 H new ATOM 363 N THR A 32 13.745 -5.056 -1.366 1.00 0.00 N ATOM 364 CA THR A 32 12.327 -4.934 -1.683 1.00 0.00 C ATOM 365 C THR A 32 11.570 -4.277 -0.538 1.00 0.00 C ATOM 366 O THR A 32 11.422 -4.855 0.537 1.00 0.00 O ATOM 367 CB THR A 32 11.726 -6.303 -1.997 1.00 0.00 C ATOM 368 OG1 THR A 32 12.740 -7.290 -2.079 1.00 0.00 O ATOM 369 CG2 THR A 32 10.954 -6.326 -3.297 1.00 0.00 C ATOM 0 H THR A 32 13.940 -5.427 -0.436 1.00 0.00 H new ATOM 0 HA THR A 32 12.233 -4.301 -2.565 1.00 0.00 H new ATOM 0 HB THR A 32 11.038 -6.515 -1.178 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.335 -8.160 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.552 -7.325 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.135 -5.609 -3.246 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.618 -6.060 -4.119 1.00 0.00 H new ATOM 377 N TYR A 33 11.094 -3.061 -0.778 1.00 0.00 N ATOM 378 CA TYR A 33 10.378 -2.309 0.248 1.00 0.00 C ATOM 379 C TYR A 33 8.894 -2.661 0.272 1.00 0.00 C ATOM 380 O TYR A 33 8.307 -2.996 -0.757 1.00 0.00 O ATOM 381 CB TYR A 33 10.554 -0.810 0.020 1.00 0.00 C ATOM 382 CG TYR A 33 11.821 -0.259 0.627 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.066 -0.643 0.147 1.00 0.00 C ATOM 384 CD2 TYR A 33 11.772 0.628 1.693 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.228 -0.141 0.700 1.00 0.00 C ATOM 386 CE2 TYR A 33 12.929 1.132 2.254 1.00 0.00 C ATOM 387 CZ TYR A 33 14.154 0.744 1.755 1.00 0.00 C ATOM 388 OH TYR A 33 15.309 1.243 2.311 1.00 0.00 O ATOM 0 H TYR A 33 11.190 -2.575 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 33 10.802 -2.582 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.556 -0.610 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.698 -0.282 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.127 -1.345 -0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.814 0.929 2.090 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.189 -0.440 0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.874 1.826 3.079 1.00 0.00 H new ATOM 0 HH TYR A 33 15.345 1.003 3.261 1.00 0.00 H new ATOM 398 N SER A 34 8.292 -2.568 1.456 1.00 0.00 N ATOM 399 CA SER A 34 6.873 -2.872 1.621 1.00 0.00 C ATOM 400 C SER A 34 6.258 -2.038 2.743 1.00 0.00 C ATOM 401 O SER A 34 6.969 -1.515 3.601 1.00 0.00 O ATOM 402 CB SER A 34 6.683 -4.361 1.916 1.00 0.00 C ATOM 403 OG SER A 34 6.609 -5.114 0.719 1.00 0.00 O ATOM 0 H SER A 34 8.765 -2.285 2.314 1.00 0.00 H new ATOM 0 HA SER A 34 6.365 -2.621 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.511 -4.722 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.772 -4.506 2.497 1.00 0.00 H new ATOM 0 HG SER A 34 7.099 -4.649 0.009 1.00 0.00 H new ATOM 409 N CYS A 35 4.931 -1.921 2.733 1.00 0.00 N ATOM 410 CA CYS A 35 4.220 -1.153 3.749 1.00 0.00 C ATOM 411 C CYS A 35 3.968 -1.994 4.995 1.00 0.00 C ATOM 412 O CYS A 35 4.178 -3.207 4.991 1.00 0.00 O ATOM 413 CB CYS A 35 2.893 -0.638 3.189 1.00 0.00 C ATOM 414 SG CYS A 35 3.017 0.968 2.337 1.00 0.00 S ATOM 0 H CYS A 35 4.328 -2.349 2.031 1.00 0.00 H new ATOM 0 HA CYS A 35 4.844 -0.304 4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.494 -1.376 2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.176 -0.549 4.006 1.00 0.00 H new ATOM 419 N ASN A 36 3.529 -1.338 6.065 1.00 0.00 N ATOM 420 CA ASN A 36 3.270 -2.022 7.328 1.00 0.00 C ATOM 421 C ASN A 36 2.079 -2.969 7.210 1.00 0.00 C ATOM 422 O ASN A 36 2.248 -4.164 6.966 1.00 0.00 O ATOM 423 CB ASN A 36 3.019 -1.002 8.442 1.00 0.00 C ATOM 424 CG ASN A 36 4.193 -0.883 9.394 1.00 0.00 C ATOM 425 OD1 ASN A 36 5.404 -0.939 8.852 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 4.013 -0.740 10.604 1.00 0.00 N flip ATOM 0 H ASN A 36 3.345 -0.335 6.083 1.00 0.00 H new ATOM 0 HA ASN A 36 4.152 -2.613 7.575 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.814 -0.027 7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.129 -1.291 9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.065 -0.702 10.978 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.812 -0.659 11.232 1.00 0.00 H new ATOM 433 N SER A 37 0.877 -2.433 7.400 1.00 0.00 N ATOM 434 CA SER A 37 -0.339 -3.232 7.318 1.00 0.00 C ATOM 435 C SER A 37 -1.532 -2.362 6.942 1.00 0.00 C ATOM 436 O SER A 37 -1.739 -1.294 7.518 1.00 0.00 O ATOM 437 CB SER A 37 -0.606 -3.934 8.651 1.00 0.00 C ATOM 438 OG SER A 37 -1.085 -5.252 8.447 1.00 0.00 O ATOM 0 H SER A 37 0.720 -1.448 7.612 1.00 0.00 H new ATOM 0 HA SER A 37 -0.199 -3.985 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.311 -3.964 9.240 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.335 -3.364 9.226 1.00 0.00 H new ATOM 0 HG SER A 37 -1.246 -5.679 9.314 1.00 0.00 H new ATOM 444 N GLY A 38 -2.315 -2.827 5.976 1.00 0.00 N ATOM 445 CA GLY A 38 -3.461 -2.063 5.524 1.00 0.00 C ATOM 446 C GLY A 38 -3.047 -0.798 4.798 1.00 0.00 C ATOM 447 O GLY A 38 -3.823 0.151 4.694 1.00 0.00 O ATOM 0 H GLY A 38 -2.177 -3.718 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.070 -2.679 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.084 -1.803 6.380 1.00 0.00 H new ATOM 451 N TYR A 39 -1.813 -0.786 4.304 1.00 0.00 N ATOM 452 CA TYR A 39 -1.284 0.364 3.586 1.00 0.00 C ATOM 453 C TYR A 39 -0.967 -0.005 2.142 1.00 0.00 C ATOM 454 O TYR A 39 -1.086 -1.165 1.749 1.00 0.00 O ATOM 455 CB TYR A 39 -0.013 0.871 4.274 1.00 0.00 C ATOM 456 CG TYR A 39 -0.260 1.926 5.330 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.375 1.872 6.159 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.639 2.969 5.511 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.602 2.844 7.114 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.425 3.937 6.473 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.696 3.871 7.271 1.00 0.00 C ATOM 462 OH TYR A 39 -0.911 4.833 8.231 1.00 0.00 O ATOM 0 H TYR A 39 -1.160 -1.564 4.389 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.039 1.150 3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.500 0.026 4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.658 1.279 3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.075 1.056 6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.520 3.024 4.889 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.485 2.800 7.734 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.134 4.742 6.599 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.179 5.484 8.212 1.00 0.00 H new ATOM 472 N HIS A 40 -0.551 0.984 1.360 1.00 0.00 N ATOM 473 CA HIS A 40 -0.171 0.748 -0.026 1.00 0.00 C ATOM 474 C HIS A 40 1.061 1.570 -0.382 1.00 0.00 C ATOM 475 O HIS A 40 1.054 2.797 -0.291 1.00 0.00 O ATOM 476 CB HIS A 40 -1.328 1.067 -0.980 1.00 0.00 C ATOM 477 CG HIS A 40 -1.628 2.526 -1.117 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.836 3.477 -0.179 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -1.771 3.156 -2.337 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -2.086 4.654 -0.841 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -2.042 4.434 -2.141 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.469 1.955 1.662 1.00 0.00 H new ATOM 0 HA HIS A 40 0.069 -0.309 -0.137 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.094 0.662 -1.965 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.224 0.555 -0.630 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.812 3.345 0.832 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.676 2.679 -3.301 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.286 5.606 -0.373 1.00 0.00 H new ATOM 490 N LEU A 41 2.133 0.874 -0.733 1.00 0.00 N ATOM 491 CA LEU A 41 3.391 1.516 -1.077 1.00 0.00 C ATOM 492 C LEU A 41 3.341 2.076 -2.490 1.00 0.00 C ATOM 493 O LEU A 41 3.067 1.351 -3.446 1.00 0.00 O ATOM 494 CB LEU A 41 4.536 0.510 -0.948 1.00 0.00 C ATOM 495 CG LEU A 41 5.908 1.027 -1.375 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.006 0.283 -0.634 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.082 0.887 -2.878 1.00 0.00 C ATOM 0 H LEU A 41 2.155 -0.144 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 41 3.561 2.344 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.596 0.183 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.295 -0.369 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 41 5.978 2.084 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.978 0.662 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.887 0.434 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.941 -0.781 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.065 1.260 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.995 -0.163 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.311 1.464 -3.389 1.00 0.00 H new ATOM 509 N ILE A 42 3.591 3.373 -2.616 1.00 0.00 N ATOM 510 CA ILE A 42 3.558 4.025 -3.918 1.00 0.00 C ATOM 511 C ILE A 42 4.965 4.251 -4.452 1.00 0.00 C ATOM 512 O ILE A 42 5.947 4.141 -3.719 1.00 0.00 O ATOM 513 CB ILE A 42 2.809 5.375 -3.882 1.00 0.00 C ATOM 514 CG1 ILE A 42 1.719 5.364 -2.808 1.00 0.00 C ATOM 515 CG2 ILE A 42 2.199 5.664 -5.242 1.00 0.00 C ATOM 516 CD1 ILE A 42 0.756 4.209 -2.954 1.00 0.00 C ATOM 0 H ILE A 42 3.818 3.991 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 42 3.016 3.351 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 42 3.524 6.160 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.187 5.318 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.163 6.301 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.672 6.618 -5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.988 5.711 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.498 4.871 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.007 4.257 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.263 4.267 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.302 3.268 -2.880 1.00 0.00 H new ATOM 528 N GLY A 43 5.051 4.558 -5.739 1.00 0.00 N ATOM 529 CA GLY A 43 6.343 4.779 -6.364 1.00 0.00 C ATOM 530 C GLY A 43 7.166 3.508 -6.441 1.00 0.00 C ATOM 531 O GLY A 43 6.624 2.426 -6.669 1.00 0.00 O ATOM 0 H GLY A 43 4.250 4.658 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.196 5.176 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.893 5.533 -5.801 1.00 0.00 H new ATOM 535 N GLU A 44 8.476 3.631 -6.244 1.00 0.00 N ATOM 536 CA GLU A 44 9.359 2.473 -6.283 1.00 0.00 C ATOM 537 C GLU A 44 9.073 1.537 -5.118 1.00 0.00 C ATOM 538 O GLU A 44 8.157 1.767 -4.331 1.00 0.00 O ATOM 539 CB GLU A 44 10.825 2.908 -6.236 1.00 0.00 C ATOM 540 CG GLU A 44 11.123 3.912 -5.137 1.00 0.00 C ATOM 541 CD GLU A 44 11.915 5.105 -5.632 1.00 0.00 C ATOM 542 OE1 GLU A 44 12.610 5.739 -4.810 1.00 0.00 O ATOM 543 OE2 GLU A 44 11.841 5.407 -6.842 1.00 0.00 O ATOM 0 H GLU A 44 8.946 4.517 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 44 9.172 1.946 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.453 2.028 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.098 3.342 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.185 4.259 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.679 3.418 -4.340 1.00 0.00 H new ATOM 550 N SER A 45 9.883 0.496 -5.007 1.00 0.00 N ATOM 551 CA SER A 45 9.746 -0.481 -3.937 1.00 0.00 C ATOM 552 C SER A 45 10.929 -1.437 -3.937 1.00 0.00 C ATOM 553 O SER A 45 10.791 -2.607 -3.582 1.00 0.00 O ATOM 554 CB SER A 45 8.446 -1.272 -4.103 1.00 0.00 C ATOM 555 OG SER A 45 7.948 -1.705 -2.850 1.00 0.00 O ATOM 0 H SER A 45 10.650 0.305 -5.652 1.00 0.00 H new ATOM 0 HA SER A 45 9.720 0.053 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.700 -0.651 -4.599 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.621 -2.135 -4.746 1.00 0.00 H new ATOM 0 HG SER A 45 8.607 -2.289 -2.420 1.00 0.00 H new ATOM 561 N LYS A 46 12.091 -0.940 -4.350 1.00 0.00 N ATOM 562 CA LYS A 46 13.278 -1.777 -4.428 1.00 0.00 C ATOM 563 C LYS A 46 14.554 -0.937 -4.451 1.00 0.00 C ATOM 564 O LYS A 46 14.707 -0.046 -5.285 1.00 0.00 O ATOM 565 CB LYS A 46 13.208 -2.639 -5.688 1.00 0.00 C ATOM 566 CG LYS A 46 12.649 -4.033 -5.462 1.00 0.00 C ATOM 567 CD LYS A 46 13.677 -5.106 -5.785 1.00 0.00 C ATOM 568 CE LYS A 46 13.606 -5.526 -7.244 1.00 0.00 C ATOM 569 NZ LYS A 46 13.902 -6.975 -7.419 1.00 0.00 N ATOM 0 H LYS A 46 12.233 0.030 -4.633 1.00 0.00 H new ATOM 0 HA LYS A 46 13.308 -2.410 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.592 -2.129 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.209 -2.726 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.330 -4.134 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.765 -4.176 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.676 -4.733 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.511 -5.974 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.613 -5.308 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.315 -4.938 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.843 -7.222 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.859 -7.179 -7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.210 -7.538 -6.884 1.00 0.00 H new ATOM 583 N SER A 47 15.475 -1.245 -3.542 1.00 0.00 N ATOM 584 CA SER A 47 16.757 -0.549 -3.474 1.00 0.00 C ATOM 585 C SER A 47 17.801 -1.302 -4.276 1.00 0.00 C ATOM 586 O SER A 47 17.777 -2.529 -4.320 1.00 0.00 O ATOM 587 CB SER A 47 17.220 -0.440 -2.016 1.00 0.00 C ATOM 588 OG SER A 47 17.478 0.899 -1.651 1.00 0.00 O ATOM 0 H SER A 47 15.357 -1.975 -2.840 1.00 0.00 H new ATOM 0 HA SER A 47 16.632 0.451 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.456 -0.856 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.121 -1.036 -1.874 1.00 0.00 H new ATOM 0 HG SER A 47 18.057 1.316 -2.323 1.00 0.00 H new ATOM 594 N TYR A 48 18.729 -0.583 -4.903 1.00 0.00 N ATOM 595 CA TYR A 48 19.779 -1.269 -5.666 1.00 0.00 C ATOM 596 C TYR A 48 21.166 -0.900 -5.165 1.00 0.00 C ATOM 597 O TYR A 48 21.593 0.250 -5.252 1.00 0.00 O ATOM 598 CB TYR A 48 19.661 -1.008 -7.170 1.00 0.00 C ATOM 599 CG TYR A 48 18.243 -0.786 -7.624 1.00 0.00 C ATOM 600 CD1 TYR A 48 17.283 -1.761 -7.414 1.00 0.00 C ATOM 601 CD2 TYR A 48 17.863 0.389 -8.254 1.00 0.00 C ATOM 602 CE1 TYR A 48 15.979 -1.576 -7.822 1.00 0.00 C ATOM 603 CE2 TYR A 48 16.560 0.588 -8.664 1.00 0.00 C ATOM 604 CZ TYR A 48 15.620 -0.399 -8.447 1.00 0.00 C ATOM 605 OH TYR A 48 14.320 -0.208 -8.856 1.00 0.00 O ATOM 0 H TYR A 48 18.781 0.436 -4.903 1.00 0.00 H new ATOM 0 HA TYR A 48 19.633 -2.337 -5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 48 20.259 -0.134 -7.429 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.081 -1.854 -7.713 1.00 0.00 H new ATOM 0 HD1 TYR A 48 17.560 -2.682 -6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 48 18.598 1.161 -8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 48 15.243 -2.348 -7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.278 1.510 -9.151 1.00 0.00 H new ATOM 0 HH TYR A 48 14.236 0.673 -9.277 1.00 0.00 H new ATOM 615 N CYS A 49 21.859 -1.897 -4.632 1.00 0.00 N ATOM 616 CA CYS A 49 23.203 -1.702 -4.105 1.00 0.00 C ATOM 617 C CYS A 49 24.185 -1.397 -5.226 1.00 0.00 C ATOM 618 O CYS A 49 24.644 -2.297 -5.929 1.00 0.00 O ATOM 619 CB CYS A 49 23.661 -2.941 -3.335 1.00 0.00 C ATOM 620 SG CYS A 49 25.384 -2.857 -2.751 1.00 0.00 S ATOM 0 H CYS A 49 21.511 -2.853 -4.553 1.00 0.00 H new ATOM 0 HA CYS A 49 23.177 -0.851 -3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.004 -3.086 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.548 -3.816 -3.975 1.00 0.00 H new ATOM 625 N GLU A 50 24.499 -0.120 -5.387 1.00 0.00 N ATOM 626 CA GLU A 50 25.423 0.313 -6.428 1.00 0.00 C ATOM 627 C GLU A 50 26.548 1.154 -5.827 1.00 0.00 C ATOM 628 O GLU A 50 26.565 1.423 -4.627 1.00 0.00 O ATOM 629 CB GLU A 50 24.642 1.065 -7.531 1.00 0.00 C ATOM 630 CG GLU A 50 25.286 2.334 -8.084 1.00 0.00 C ATOM 631 CD GLU A 50 24.304 3.199 -8.848 1.00 0.00 C ATOM 632 OE1 GLU A 50 24.681 4.324 -9.237 1.00 0.00 O ATOM 633 OE2 GLU A 50 23.157 2.751 -9.059 1.00 0.00 O ATOM 0 H GLU A 50 24.128 0.635 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 50 25.895 -0.554 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.478 0.377 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 50 23.661 1.326 -7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.709 2.911 -7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.112 2.062 -8.741 1.00 0.00 H new ATOM 640 N LEU A 51 27.501 1.526 -6.667 1.00 0.00 N ATOM 641 CA LEU A 51 28.645 2.320 -6.231 1.00 0.00 C ATOM 642 C LEU A 51 28.278 3.796 -6.116 1.00 0.00 C ATOM 643 O LEU A 51 27.299 4.253 -6.705 1.00 0.00 O ATOM 644 CB LEU A 51 29.816 2.150 -7.202 1.00 0.00 C ATOM 645 CG LEU A 51 30.778 1.008 -6.867 1.00 0.00 C ATOM 646 CD1 LEU A 51 31.574 0.602 -8.099 1.00 0.00 C ATOM 647 CD2 LEU A 51 31.714 1.412 -5.738 1.00 0.00 C ATOM 0 H LEU A 51 27.507 1.291 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 51 28.943 1.961 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.417 1.986 -8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 51 30.380 3.082 -7.233 1.00 0.00 H new ATOM 0 HG LEU A 51 30.191 0.150 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.253 -0.211 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.891 0.271 -8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 51 32.150 1.455 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.391 0.587 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 51 32.293 2.285 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.130 1.654 -4.850 1.00 0.00 H new ATOM 709 N MET A 57 30.412 2.086 -1.881 1.00 0.00 N ATOM 710 CA MET A 57 29.212 1.286 -2.099 1.00 0.00 C ATOM 711 C MET A 57 27.988 1.974 -1.506 1.00 0.00 C ATOM 712 O MET A 57 27.857 2.092 -0.288 1.00 0.00 O ATOM 713 CB MET A 57 29.366 -0.116 -1.496 1.00 0.00 C ATOM 714 CG MET A 57 30.810 -0.566 -1.324 1.00 0.00 C ATOM 715 SD MET A 57 31.484 -0.133 0.291 1.00 0.00 S ATOM 716 CE MET A 57 33.200 -0.600 0.077 1.00 0.00 C ATOM 0 HA MET A 57 29.073 1.187 -3.176 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.872 -0.138 -0.524 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.847 -0.832 -2.133 1.00 0.00 H new ATOM 0 HG2 MET A 57 30.869 -1.646 -1.460 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.423 -0.113 -2.103 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.751 -0.392 0.994 1.00 0.00 H new ATOM 0 HE2 MET A 57 33.262 -1.664 -0.150 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.633 -0.028 -0.744 1.00 0.00 H new ATOM 726 N VAL A 58 27.100 2.434 -2.380 1.00 0.00 N ATOM 727 CA VAL A 58 25.882 3.109 -1.953 1.00 0.00 C ATOM 728 C VAL A 58 24.651 2.277 -2.303 1.00 0.00 C ATOM 729 O VAL A 58 24.769 1.116 -2.695 1.00 0.00 O ATOM 730 CB VAL A 58 25.761 4.506 -2.593 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.995 5.340 -2.287 1.00 0.00 C ATOM 732 CG2 VAL A 58 25.545 4.389 -4.093 1.00 0.00 C ATOM 0 H VAL A 58 27.202 2.351 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 58 25.938 3.227 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 58 24.895 5.010 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.893 6.323 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 58 27.099 5.453 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.879 4.843 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 58 25.462 5.385 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 58 26.389 3.866 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.629 3.831 -4.286 1.00 0.00 H new ATOM 742 N TRP A 59 23.473 2.875 -2.165 1.00 0.00 N ATOM 743 CA TRP A 59 22.231 2.176 -2.460 1.00 0.00 C ATOM 744 C TRP A 59 21.328 3.004 -3.366 1.00 0.00 C ATOM 745 O TRP A 59 21.285 4.230 -3.268 1.00 0.00 O ATOM 746 CB TRP A 59 21.484 1.858 -1.166 1.00 0.00 C ATOM 747 CG TRP A 59 22.014 0.665 -0.434 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.939 0.666 0.569 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.619 -0.701 -0.615 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.154 -0.616 1.015 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.356 -1.472 0.302 1.00 0.00 C ATOM 752 CE3 TRP A 59 20.724 -1.348 -1.473 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.221 -2.855 0.388 1.00 0.00 C ATOM 754 CZ3 TRP A 59 20.588 -2.720 -1.381 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.333 -3.459 -0.460 1.00 0.00 C ATOM 0 H TRP A 59 23.354 3.838 -1.852 1.00 0.00 H new ATOM 0 HA TRP A 59 22.490 1.251 -2.976 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.532 2.726 -0.508 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.432 1.691 -1.397 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.431 1.546 0.956 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.801 -0.886 1.755 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.150 -0.786 -2.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 22.796 -3.430 1.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 19.894 -3.229 -2.033 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.206 -4.531 -0.416 1.00 0.00 H new ATOM 766 N ASN A 60 20.583 2.318 -4.223 1.00 0.00 N ATOM 767 CA ASN A 60 19.633 2.971 -5.112 1.00 0.00 C ATOM 768 C ASN A 60 18.265 3.021 -4.450 1.00 0.00 C ATOM 769 O ASN A 60 18.061 2.355 -3.442 1.00 0.00 O ATOM 770 CB ASN A 60 19.553 2.222 -6.433 1.00 0.00 C ATOM 771 CG ASN A 60 20.321 2.906 -7.540 1.00 0.00 C ATOM 772 OD1 ASN A 60 19.910 2.886 -8.700 1.00 0.00 O ATOM 773 ND2 ASN A 60 21.432 3.534 -7.190 1.00 0.00 N ATOM 0 H ASN A 60 20.620 1.303 -4.321 1.00 0.00 H new ATOM 0 HA ASN A 60 19.969 3.989 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.941 1.213 -6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.508 2.125 -6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 60 21.983 4.026 -7.893 1.00 0.00 H new ATOM 0 HD22 ASN A 60 21.737 3.526 -6.217 1.00 0.00 H new ATOM 780 N PRO A 61 17.328 3.828 -5.000 1.00 0.00 N ATOM 781 CA PRO A 61 15.973 4.022 -4.489 1.00 0.00 C ATOM 782 C PRO A 61 15.512 2.964 -3.491 1.00 0.00 C ATOM 783 O PRO A 61 15.039 1.894 -3.872 1.00 0.00 O ATOM 784 CB PRO A 61 15.166 3.973 -5.782 1.00 0.00 C ATOM 785 CG PRO A 61 16.095 4.507 -6.843 1.00 0.00 C ATOM 786 CD PRO A 61 17.481 4.592 -6.235 1.00 0.00 C ATOM 0 HA PRO A 61 15.870 4.939 -3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.849 2.956 -6.011 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.263 4.579 -5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.098 3.852 -7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.765 5.489 -7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.239 4.160 -6.889 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.777 5.623 -6.041 1.00 0.00 H new ATOM 794 N GLU A 62 15.636 3.294 -2.206 1.00 0.00 N ATOM 795 CA GLU A 62 15.277 2.371 -1.130 1.00 0.00 C ATOM 796 C GLU A 62 13.846 2.583 -0.646 1.00 0.00 C ATOM 797 O GLU A 62 12.966 1.781 -0.945 1.00 0.00 O ATOM 798 CB GLU A 62 16.246 2.503 0.060 1.00 0.00 C ATOM 799 CG GLU A 62 17.548 3.227 -0.258 1.00 0.00 C ATOM 800 CD GLU A 62 17.472 4.715 0.023 1.00 0.00 C ATOM 801 OE1 GLU A 62 18.249 5.476 -0.592 1.00 0.00 O ATOM 802 OE2 GLU A 62 16.636 5.119 0.859 1.00 0.00 O ATOM 0 H GLU A 62 15.984 4.197 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 62 15.352 1.366 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.739 3.032 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.482 1.506 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.355 2.791 0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.799 3.072 -1.307 1.00 0.00 H new ATOM 809 N ALA A 63 13.631 3.636 0.142 1.00 0.00 N ATOM 810 CA ALA A 63 12.323 3.897 0.742 1.00 0.00 C ATOM 811 C ALA A 63 11.394 4.677 -0.185 1.00 0.00 C ATOM 812 O ALA A 63 11.560 5.884 -0.365 1.00 0.00 O ATOM 813 CB ALA A 63 12.498 4.653 2.050 1.00 0.00 C ATOM 0 H ALA A 63 14.347 4.323 0.380 1.00 0.00 H new ATOM 0 HA ALA A 63 11.855 2.930 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.521 4.845 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.097 4.056 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.002 5.600 1.858 1.00 0.00 H new ATOM 819 N PRO A 64 10.353 4.018 -0.731 1.00 0.00 N ATOM 820 CA PRO A 64 9.358 4.663 -1.583 1.00 0.00 C ATOM 821 C PRO A 64 8.286 5.355 -0.746 1.00 0.00 C ATOM 822 O PRO A 64 8.527 5.711 0.407 1.00 0.00 O ATOM 823 CB PRO A 64 8.746 3.491 -2.374 1.00 0.00 C ATOM 824 CG PRO A 64 9.463 2.261 -1.909 1.00 0.00 C ATOM 825 CD PRO A 64 10.038 2.599 -0.566 1.00 0.00 C ATOM 0 HA PRO A 64 9.789 5.435 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.675 3.412 -2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.874 3.635 -3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.780 1.415 -1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.249 1.979 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.324 2.428 0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.924 2.006 -0.338 1.00 0.00 H new ATOM 833 N ILE A 65 7.093 5.506 -1.309 1.00 0.00 N ATOM 834 CA ILE A 65 5.986 6.115 -0.585 1.00 0.00 C ATOM 835 C ILE A 65 5.186 5.055 0.157 1.00 0.00 C ATOM 836 O ILE A 65 5.341 3.861 -0.092 1.00 0.00 O ATOM 837 CB ILE A 65 5.033 6.879 -1.518 1.00 0.00 C ATOM 838 CG1 ILE A 65 5.804 7.524 -2.670 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.261 7.928 -0.738 1.00 0.00 C ATOM 840 CD1 ILE A 65 6.818 8.552 -2.219 1.00 0.00 C ATOM 0 H ILE A 65 6.869 5.216 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 65 6.427 6.821 0.119 1.00 0.00 H new ATOM 0 HB ILE A 65 4.323 6.169 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.316 6.745 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.096 7.998 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.590 8.461 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.679 7.443 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.959 8.634 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.327 8.967 -3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.310 9.351 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.549 8.079 -1.563 1.00 0.00 H new ATOM 852 N CYS A 66 4.319 5.496 1.053 1.00 0.00 N ATOM 853 CA CYS A 66 3.488 4.581 1.818 1.00 0.00 C ATOM 854 C CYS A 66 2.378 5.328 2.544 1.00 0.00 C ATOM 855 O CYS A 66 2.632 6.295 3.263 1.00 0.00 O ATOM 856 CB CYS A 66 4.335 3.809 2.826 1.00 0.00 C ATOM 857 SG CYS A 66 4.786 2.127 2.290 1.00 0.00 S ATOM 0 H CYS A 66 4.172 6.482 1.269 1.00 0.00 H new ATOM 0 HA CYS A 66 3.034 3.879 1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.247 4.372 3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.790 3.744 3.768 1.00 0.00 H new ATOM 862 N GLU A 67 1.149 4.869 2.355 1.00 0.00 N ATOM 863 CA GLU A 67 -0.003 5.485 2.996 1.00 0.00 C ATOM 864 C GLU A 67 -1.074 4.446 3.282 1.00 0.00 C ATOM 865 O GLU A 67 -0.955 3.290 2.879 1.00 0.00 O ATOM 866 CB GLU A 67 -0.572 6.597 2.113 1.00 0.00 C ATOM 867 CG GLU A 67 -0.745 7.922 2.838 1.00 0.00 C ATOM 868 CD GLU A 67 -1.255 9.022 1.929 1.00 0.00 C ATOM 869 OE1 GLU A 67 -2.101 9.822 2.381 1.00 0.00 O ATOM 870 OE2 GLU A 67 -0.808 9.084 0.764 1.00 0.00 O ATOM 0 H GLU A 67 0.924 4.070 1.762 1.00 0.00 H new ATOM 0 HA GLU A 67 0.322 5.919 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.088 6.744 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.538 6.279 1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.440 7.790 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.210 8.224 3.267 1.00 0.00 H new ATOM 877 N SER A 68 -2.114 4.860 3.989 1.00 0.00 N ATOM 878 CA SER A 68 -3.197 3.958 4.336 1.00 0.00 C ATOM 879 C SER A 68 -4.124 3.725 3.154 1.00 0.00 C ATOM 880 O SER A 68 -4.570 4.663 2.493 1.00 0.00 O ATOM 881 CB SER A 68 -3.976 4.492 5.534 1.00 0.00 C ATOM 882 OG SER A 68 -4.485 5.790 5.280 1.00 0.00 O ATOM 0 H SER A 68 -2.229 5.813 4.332 1.00 0.00 H new ATOM 0 HA SER A 68 -2.758 2.998 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.798 3.816 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.328 4.518 6.410 1.00 0.00 H new ATOM 0 HG SER A 68 -4.981 6.106 6.064 1.00 0.00 H new ATOM 888 N VAL A 69 -4.395 2.451 2.898 1.00 0.00 N ATOM 889 CA VAL A 69 -5.244 2.024 1.796 1.00 0.00 C ATOM 890 C VAL A 69 -6.411 2.969 1.545 1.00 0.00 C ATOM 891 O VAL A 69 -7.415 2.939 2.257 1.00 0.00 O ATOM 892 CB VAL A 69 -5.810 0.619 2.052 1.00 0.00 C ATOM 893 CG1 VAL A 69 -4.770 -0.441 1.738 1.00 0.00 C ATOM 894 CG2 VAL A 69 -6.309 0.484 3.485 1.00 0.00 C ATOM 0 H VAL A 69 -4.028 1.680 3.455 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.603 2.025 0.914 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.661 0.469 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.190 -1.429 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.477 -0.364 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.896 -0.292 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.704 -0.520 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.484 0.659 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.096 1.216 3.667 1.00 0.00 H new ATOM 904 N LYS A 70 -6.291 3.764 0.494 1.00 0.00 N ATOM 905 CA LYS A 70 -7.358 4.673 0.102 1.00 0.00 C ATOM 906 C LYS A 70 -8.351 3.960 -0.812 1.00 0.00 C ATOM 907 O LYS A 70 -8.111 3.821 -2.011 1.00 0.00 O ATOM 908 CB LYS A 70 -6.794 5.900 -0.608 1.00 0.00 C ATOM 909 CG LYS A 70 -6.416 7.023 0.339 1.00 0.00 C ATOM 910 CD LYS A 70 -7.444 8.140 0.306 1.00 0.00 C ATOM 911 CE LYS A 70 -8.262 8.187 1.585 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.896 9.518 1.791 1.00 0.00 N ATOM 0 H LYS A 70 -5.465 3.799 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.872 5.000 1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.915 5.607 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.531 6.269 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.331 6.633 1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.437 7.418 0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.939 9.095 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.109 7.998 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.034 7.419 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.620 7.955 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.564 9.465 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.162 10.224 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.406 9.797 0.929 1.00 0.00 H new ATOM 926 N CYS A 71 -9.444 3.474 -0.235 1.00 0.00 N ATOM 927 CA CYS A 71 -10.471 2.787 -1.011 1.00 0.00 C ATOM 928 C CYS A 71 -11.411 3.795 -1.647 1.00 0.00 C ATOM 929 O CYS A 71 -11.952 4.671 -0.972 1.00 0.00 O ATOM 930 CB CYS A 71 -11.291 1.802 -0.162 1.00 0.00 C ATOM 931 SG CYS A 71 -10.602 1.397 1.480 1.00 0.00 S ATOM 0 H CYS A 71 -9.642 3.542 0.763 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.952 2.215 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.290 2.216 -0.023 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.406 0.876 -0.725 1.00 0.00 H new ATOM 936 N GLN A 72 -11.605 3.660 -2.947 1.00 0.00 N ATOM 937 CA GLN A 72 -12.498 4.546 -3.673 1.00 0.00 C ATOM 938 C GLN A 72 -13.950 4.199 -3.366 1.00 0.00 C ATOM 939 O GLN A 72 -14.244 3.574 -2.347 1.00 0.00 O ATOM 940 CB GLN A 72 -12.225 4.457 -5.177 1.00 0.00 C ATOM 941 CG GLN A 72 -12.777 3.200 -5.828 1.00 0.00 C ATOM 942 CD GLN A 72 -11.703 2.372 -6.506 1.00 0.00 C ATOM 943 OE1 GLN A 72 -11.468 2.502 -7.707 1.00 0.00 O ATOM 944 NE2 GLN A 72 -11.044 1.513 -5.735 1.00 0.00 N ATOM 0 H GLN A 72 -11.157 2.946 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.315 5.571 -3.351 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -12.658 5.329 -5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -11.149 4.499 -5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -13.275 2.593 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.533 3.478 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.272 1.439 -4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.310 0.928 -6.135 1.00 0.00 H new ATOM 953 N SER A 73 -14.854 4.592 -4.254 1.00 0.00 N ATOM 954 CA SER A 73 -16.271 4.317 -4.067 1.00 0.00 C ATOM 955 C SER A 73 -16.503 2.847 -3.713 1.00 0.00 C ATOM 956 O SER A 73 -15.884 1.956 -4.296 1.00 0.00 O ATOM 957 CB SER A 73 -17.041 4.677 -5.338 1.00 0.00 C ATOM 958 OG SER A 73 -18.224 3.908 -5.455 1.00 0.00 O ATOM 0 H SER A 73 -14.631 5.101 -5.109 1.00 0.00 H new ATOM 0 HA SER A 73 -16.633 4.927 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.293 5.737 -5.326 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.408 4.510 -6.209 1.00 0.00 H new ATOM 0 HG SER A 73 -18.429 3.765 -6.403 1.00 0.00 H new ATOM 964 N PRO A 74 -17.399 2.570 -2.747 1.00 0.00 N ATOM 965 CA PRO A 74 -17.697 1.198 -2.320 1.00 0.00 C ATOM 966 C PRO A 74 -18.228 0.336 -3.464 1.00 0.00 C ATOM 967 O PRO A 74 -18.615 0.851 -4.513 1.00 0.00 O ATOM 968 CB PRO A 74 -18.771 1.372 -1.240 1.00 0.00 C ATOM 969 CG PRO A 74 -18.663 2.793 -0.803 1.00 0.00 C ATOM 970 CD PRO A 74 -18.182 3.565 -1.996 1.00 0.00 C ATOM 0 HA PRO A 74 -16.803 0.686 -1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.764 1.156 -1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.604 0.690 -0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.627 3.169 -0.460 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -17.967 2.892 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.012 3.953 -2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -17.572 4.420 -1.703 1.00 0.00 H new ATOM 978 N PRO A 75 -18.253 -0.995 -3.273 1.00 0.00 N ATOM 979 CA PRO A 75 -18.731 -1.933 -4.291 1.00 0.00 C ATOM 980 C PRO A 75 -20.039 -1.491 -4.932 1.00 0.00 C ATOM 981 O PRO A 75 -20.802 -0.721 -4.350 1.00 0.00 O ATOM 982 CB PRO A 75 -18.937 -3.225 -3.504 1.00 0.00 C ATOM 983 CG PRO A 75 -17.945 -3.151 -2.396 1.00 0.00 C ATOM 984 CD PRO A 75 -17.804 -1.691 -2.052 1.00 0.00 C ATOM 0 HA PRO A 75 -18.029 -2.022 -5.120 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -19.955 -3.298 -3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.768 -4.102 -4.129 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.283 -3.723 -1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -16.988 -3.573 -2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.416 -1.422 -1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -16.774 -1.437 -1.803 1.00 0.00 H new ATOM 992 N SER A 76 -20.293 -1.995 -6.134 1.00 0.00 N ATOM 993 CA SER A 76 -21.516 -1.676 -6.857 1.00 0.00 C ATOM 994 C SER A 76 -22.431 -2.893 -6.919 1.00 0.00 C ATOM 995 O SER A 76 -22.350 -3.696 -7.848 1.00 0.00 O ATOM 996 CB SER A 76 -21.186 -1.197 -8.272 1.00 0.00 C ATOM 997 OG SER A 76 -22.313 -0.594 -8.884 1.00 0.00 O ATOM 0 H SER A 76 -19.665 -2.628 -6.629 1.00 0.00 H new ATOM 0 HA SER A 76 -22.032 -0.877 -6.325 1.00 0.00 H new ATOM 0 HB2 SER A 76 -20.363 -0.483 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 76 -20.849 -2.040 -8.875 1.00 0.00 H new ATOM 0 HG SER A 76 -22.075 -0.295 -9.786 1.00 0.00 H new ATOM 1003 N ILE A 77 -23.302 -3.024 -5.925 1.00 0.00 N ATOM 1004 CA ILE A 77 -24.217 -4.157 -5.859 1.00 0.00 C ATOM 1005 C ILE A 77 -25.268 -4.083 -6.957 1.00 0.00 C ATOM 1006 O ILE A 77 -25.419 -3.058 -7.622 1.00 0.00 O ATOM 1007 CB ILE A 77 -24.931 -4.234 -4.495 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -25.793 -2.989 -4.271 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -23.918 -4.397 -3.375 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -26.898 -3.194 -3.259 1.00 0.00 C ATOM 0 H ILE A 77 -23.394 -2.361 -5.155 1.00 0.00 H new ATOM 0 HA ILE A 77 -23.610 -5.052 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.585 -5.106 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.155 -2.170 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.233 -2.686 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.438 -4.450 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.349 -5.314 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.239 -3.545 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.468 -2.271 -3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.559 -3.991 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.464 -3.467 -2.297 1.00 0.00 H new ATOM 1022 N SER A 78 -25.989 -5.181 -7.143 1.00 0.00 N ATOM 1023 CA SER A 78 -27.033 -5.246 -8.155 1.00 0.00 C ATOM 1024 C SER A 78 -28.318 -4.608 -7.645 1.00 0.00 C ATOM 1025 O SER A 78 -28.689 -4.779 -6.484 1.00 0.00 O ATOM 1026 CB SER A 78 -27.296 -6.699 -8.558 1.00 0.00 C ATOM 1027 OG SER A 78 -26.082 -7.410 -8.727 1.00 0.00 O ATOM 0 H SER A 78 -25.869 -6.039 -6.605 1.00 0.00 H new ATOM 0 HA SER A 78 -26.693 -4.692 -9.030 1.00 0.00 H new ATOM 0 HB2 SER A 78 -27.903 -7.187 -7.796 1.00 0.00 H new ATOM 0 HB3 SER A 78 -27.868 -6.724 -9.486 1.00 0.00 H new ATOM 0 HG SER A 78 -26.278 -8.336 -8.983 1.00 0.00 H new ATOM 1033 N ASN A 79 -28.988 -3.865 -8.516 1.00 0.00 N ATOM 1034 CA ASN A 79 -30.228 -3.199 -8.150 1.00 0.00 C ATOM 1035 C ASN A 79 -30.021 -2.291 -6.946 1.00 0.00 C ATOM 1036 O ASN A 79 -30.944 -2.060 -6.165 1.00 0.00 O ATOM 1037 CB ASN A 79 -31.313 -4.232 -7.841 1.00 0.00 C ATOM 1038 CG ASN A 79 -31.269 -5.419 -8.779 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -31.560 -5.297 -9.969 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -30.913 -6.579 -8.246 1.00 0.00 N ATOM 0 H ASN A 79 -28.693 -3.709 -9.480 1.00 0.00 H new ATOM 0 HA ASN A 79 -30.546 -2.588 -8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -31.197 -4.580 -6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -32.292 -3.757 -7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -30.872 -7.416 -8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -30.680 -6.635 -7.255 1.00 0.00 H new ATOM 1047 N GLY A 80 -28.804 -1.779 -6.799 1.00 0.00 N ATOM 1048 CA GLY A 80 -28.507 -0.904 -5.680 1.00 0.00 C ATOM 1049 C GLY A 80 -27.322 0.006 -5.930 1.00 0.00 C ATOM 1050 O GLY A 80 -26.832 0.110 -7.055 1.00 0.00 O ATOM 0 H GLY A 80 -28.022 -1.953 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -29.384 -0.295 -5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -28.311 -1.510 -4.796 1.00 0.00 H new ATOM 1054 N ARG A 81 -26.877 0.685 -4.876 1.00 0.00 N ATOM 1055 CA ARG A 81 -25.755 1.607 -4.975 1.00 0.00 C ATOM 1056 C ARG A 81 -25.300 2.062 -3.595 1.00 0.00 C ATOM 1057 O ARG A 81 -25.810 1.601 -2.574 1.00 0.00 O ATOM 1058 CB ARG A 81 -26.137 2.824 -5.819 1.00 0.00 C ATOM 1059 CG ARG A 81 -27.571 3.285 -5.623 1.00 0.00 C ATOM 1060 CD ARG A 81 -28.045 4.120 -6.800 1.00 0.00 C ATOM 1061 NE ARG A 81 -28.625 5.392 -6.375 1.00 0.00 N ATOM 1062 CZ ARG A 81 -29.300 6.200 -7.187 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -29.796 7.341 -6.729 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -29.479 5.867 -8.458 1.00 0.00 N ATOM 0 H ARG A 81 -27.280 0.612 -3.942 1.00 0.00 H new ATOM 0 HA ARG A 81 -24.931 1.081 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -25.465 3.647 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -25.983 2.586 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -28.221 2.418 -5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -27.646 3.869 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.206 4.311 -7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -28.785 3.557 -7.368 1.00 0.00 H new ATOM 0 HE ARG A 81 -28.506 5.676 -5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -29.660 7.600 -5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -30.313 7.959 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -29.099 4.990 -8.814 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -29.997 6.488 -9.080 1.00 0.00 H new ATOM 1078 N HIS A 82 -24.344 2.980 -3.578 1.00 0.00 N ATOM 1079 CA HIS A 82 -23.803 3.508 -2.333 1.00 0.00 C ATOM 1080 C HIS A 82 -24.104 4.996 -2.195 1.00 0.00 C ATOM 1081 O HIS A 82 -24.566 5.634 -3.142 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.295 3.282 -2.291 1.00 0.00 C ATOM 1083 CG HIS A 82 -21.623 3.606 -3.588 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -21.244 4.884 -3.940 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -21.297 2.815 -4.638 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -20.699 4.863 -5.144 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -20.722 3.621 -5.588 1.00 0.00 N ATOM 0 H HIS A 82 -23.924 3.377 -4.419 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.276 2.983 -1.503 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -21.862 3.895 -1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.095 2.242 -2.034 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.459 1.750 -4.713 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -20.303 5.717 -5.674 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -20.369 3.310 -6.493 1.00 0.00 H new ATOM 1096 N ASN A 83 -23.831 5.548 -1.017 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.057 6.971 -0.772 1.00 0.00 C ATOM 1098 C ASN A 83 -23.098 7.503 0.287 1.00 0.00 C ATOM 1099 O ASN A 83 -23.283 7.272 1.482 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.509 7.244 -0.346 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.181 6.051 0.302 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -26.426 5.034 -0.347 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -26.500 6.177 1.583 1.00 0.00 N ATOM 0 H ASN A 83 -23.455 5.036 -0.219 1.00 0.00 H new ATOM 0 HA ASN A 83 -23.870 7.493 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -25.524 8.082 0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -26.086 7.546 -1.220 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -26.968 5.412 2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.278 7.039 2.082 1.00 0.00 H new ATOM 1165 N PHE A 88 -13.046 9.386 -1.314 1.00 0.00 N ATOM 1166 CA PHE A 88 -12.214 8.229 -1.011 1.00 0.00 C ATOM 1167 C PHE A 88 -12.515 7.696 0.385 1.00 0.00 C ATOM 1168 O PHE A 88 -13.379 8.221 1.087 1.00 0.00 O ATOM 1169 CB PHE A 88 -10.734 8.595 -1.127 1.00 0.00 C ATOM 1170 CG PHE A 88 -10.165 8.364 -2.493 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -9.515 7.179 -2.788 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -10.276 9.329 -3.480 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -8.987 6.958 -4.042 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -9.749 9.114 -4.738 1.00 0.00 C ATOM 1175 CZ PHE A 88 -9.103 7.926 -5.021 1.00 0.00 C ATOM 0 HA PHE A 88 -12.442 7.446 -1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.606 9.644 -0.862 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.166 8.011 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.420 6.418 -2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.780 10.259 -3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.483 6.028 -4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.842 9.874 -5.500 1.00 0.00 H new ATOM 0 HZ PHE A 88 -8.690 7.755 -6.004 1.00 0.00 H new ATOM 1185 N TYR A 89 -11.809 6.640 0.777 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.016 6.024 2.084 1.00 0.00 C ATOM 1187 C TYR A 89 -10.771 5.259 2.522 1.00 0.00 C ATOM 1188 O TYR A 89 -9.900 4.978 1.708 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.220 5.081 2.031 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.501 5.755 1.589 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.404 6.250 2.522 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -14.807 5.900 0.240 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.576 6.866 2.124 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -15.978 6.510 -0.165 1.00 0.00 C ATOM 1195 CZ TYR A 89 -16.858 6.992 0.780 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.023 7.606 0.380 1.00 0.00 O ATOM 0 H TYR A 89 -11.089 6.193 0.209 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.210 6.812 2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -12.998 4.260 1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.372 4.644 3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -15.187 6.152 3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.117 5.529 -0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.267 7.246 2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.203 6.609 -1.217 1.00 0.00 H new ATOM 0 HH TYR A 89 -18.069 7.614 -0.599 1.00 0.00 H new ATOM 1206 N THR A 90 -10.687 4.924 3.806 1.00 0.00 N ATOM 1207 CA THR A 90 -9.526 4.205 4.324 1.00 0.00 C ATOM 1208 C THR A 90 -9.894 3.284 5.482 1.00 0.00 C ATOM 1209 O THR A 90 -11.062 3.157 5.846 1.00 0.00 O ATOM 1210 CB THR A 90 -8.454 5.195 4.773 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.020 6.224 5.566 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.737 5.844 3.616 1.00 0.00 C ATOM 0 H THR A 90 -11.402 5.136 4.502 1.00 0.00 H new ATOM 0 HA THR A 90 -9.140 3.584 3.516 1.00 0.00 H new ATOM 0 HB THR A 90 -7.735 4.612 5.349 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.316 6.847 5.845 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.987 6.538 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.250 5.077 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.455 6.387 3.001 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.880 2.638 6.051 1.00 0.00 N ATOM 1221 CA ASP A 91 -9.079 1.717 7.160 1.00 0.00 C ATOM 1222 C ASP A 91 -9.875 2.364 8.275 1.00 0.00 C ATOM 1223 O ASP A 91 -9.323 3.023 9.157 1.00 0.00 O ATOM 1224 CB ASP A 91 -7.738 1.224 7.700 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.986 0.369 6.700 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -7.526 -0.681 6.293 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.856 0.746 6.326 1.00 0.00 O ATOM 0 H ASP A 91 -7.908 2.738 5.758 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.644 0.865 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.123 2.082 7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.906 0.649 8.610 1.00 0.00 H new ATOM 1232 N GLY A 92 -11.177 2.150 8.233 1.00 0.00 N ATOM 1233 CA GLY A 92 -12.049 2.682 9.255 1.00 0.00 C ATOM 1234 C GLY A 92 -13.137 3.577 8.699 1.00 0.00 C ATOM 1235 O GLY A 92 -13.709 4.385 9.430 1.00 0.00 O ATOM 0 H GLY A 92 -11.649 1.614 7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.508 1.856 9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.455 3.246 9.974 1.00 0.00 H new ATOM 1239 N SER A 93 -13.433 3.441 7.409 1.00 0.00 N ATOM 1240 CA SER A 93 -14.484 4.249 6.798 1.00 0.00 C ATOM 1241 C SER A 93 -15.724 3.406 6.540 1.00 0.00 C ATOM 1242 O SER A 93 -15.631 2.200 6.319 1.00 0.00 O ATOM 1243 CB SER A 93 -14.000 4.885 5.495 1.00 0.00 C ATOM 1244 OG SER A 93 -12.588 4.995 5.471 1.00 0.00 O ATOM 0 H SER A 93 -12.969 2.790 6.776 1.00 0.00 H new ATOM 0 HA SER A 93 -14.740 5.047 7.495 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.335 4.285 4.649 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.446 5.873 5.382 1.00 0.00 H new ATOM 0 HG SER A 93 -12.190 4.100 5.492 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.886 4.043 6.585 1.00 0.00 N ATOM 1251 CA VAL A 94 -18.141 3.341 6.371 1.00 0.00 C ATOM 1252 C VAL A 94 -19.022 4.073 5.366 1.00 0.00 C ATOM 1253 O VAL A 94 -18.927 5.290 5.203 1.00 0.00 O ATOM 1254 CB VAL A 94 -18.915 3.163 7.693 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -18.079 2.378 8.691 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -20.251 2.474 7.453 1.00 0.00 C ATOM 0 H VAL A 94 -16.984 5.042 6.767 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.890 2.359 5.971 1.00 0.00 H new ATOM 0 HB VAL A 94 -19.116 4.151 8.108 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.637 2.260 9.620 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.848 1.396 8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -17.152 2.915 8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -20.777 2.360 8.401 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.854 3.076 6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -20.080 1.492 7.013 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.882 3.314 4.701 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.805 3.868 3.720 1.00 0.00 C ATOM 1268 C VAL A 95 -22.119 3.105 3.740 1.00 0.00 C ATOM 1269 O VAL A 95 -22.151 1.913 4.042 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.222 3.823 2.298 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.121 4.564 1.325 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.821 4.405 2.277 1.00 0.00 C ATOM 0 H VAL A 95 -19.960 2.305 4.825 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.974 4.910 3.992 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.166 2.780 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.690 4.520 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.107 4.100 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.213 5.605 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.425 4.364 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.852 5.441 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.177 3.828 2.941 1.00 0.00 H new ATOM 1282 N THR A 96 -23.204 3.799 3.430 1.00 0.00 N ATOM 1283 CA THR A 96 -24.518 3.177 3.416 1.00 0.00 C ATOM 1284 C THR A 96 -24.991 2.947 1.990 1.00 0.00 C ATOM 1285 O THR A 96 -24.941 3.845 1.152 1.00 0.00 O ATOM 1286 CB THR A 96 -25.527 4.039 4.176 1.00 0.00 C ATOM 1287 OG1 THR A 96 -25.012 5.341 4.390 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.907 3.465 5.524 1.00 0.00 C ATOM 0 H THR A 96 -23.200 4.789 3.186 1.00 0.00 H new ATOM 0 HA THR A 96 -24.441 2.210 3.913 1.00 0.00 H new ATOM 0 HB THR A 96 -26.417 4.066 3.548 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.672 5.878 4.876 1.00 0.00 H new ATOM 0 HG21 THR A 96 -26.625 4.125 6.011 1.00 0.00 H new ATOM 0 HG22 THR A 96 -26.353 2.480 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 96 -25.016 3.376 6.146 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.437 1.729 1.724 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.905 1.353 0.400 1.00 0.00 C ATOM 1298 C TYR A 97 -27.386 1.672 0.226 1.00 0.00 C ATOM 1299 O TYR A 97 -28.128 1.787 1.201 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.657 -0.136 0.169 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.288 -0.437 -0.386 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -24.117 -1.366 -1.402 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -23.164 0.201 0.120 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.861 -1.648 -1.904 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -21.907 -0.073 -0.377 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.759 -0.999 -1.388 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.507 -1.276 -1.885 1.00 0.00 O ATOM 0 H TYR A 97 -25.485 0.979 2.414 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.349 1.932 -0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.784 -0.668 1.112 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.412 -0.520 -0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -24.978 -1.876 -1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -23.275 0.923 0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -22.743 -2.373 -2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -21.043 0.435 0.024 1.00 0.00 H new ATOM 0 HH TYR A 97 -20.368 -0.778 -2.717 1.00 0.00 H new ATOM 1317 N SER A 98 -27.811 1.816 -1.022 1.00 0.00 N ATOM 1318 CA SER A 98 -29.207 2.128 -1.315 1.00 0.00 C ATOM 1319 C SER A 98 -29.680 1.435 -2.590 1.00 0.00 C ATOM 1320 O SER A 98 -29.030 1.523 -3.632 1.00 0.00 O ATOM 1321 CB SER A 98 -29.390 3.641 -1.452 1.00 0.00 C ATOM 1322 OG SER A 98 -28.526 4.171 -2.441 1.00 0.00 O ATOM 0 H SER A 98 -27.215 1.723 -1.844 1.00 0.00 H new ATOM 0 HA SER A 98 -29.810 1.760 -0.485 1.00 0.00 H new ATOM 0 HB2 SER A 98 -30.425 3.863 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.191 4.123 -0.495 1.00 0.00 H new ATOM 0 HG SER A 98 -27.710 4.508 -2.016 1.00 0.00 H new ATOM 1328 N CYS A 99 -30.838 0.781 -2.511 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.399 0.083 -3.662 1.00 0.00 C ATOM 1330 C CYS A 99 -31.864 1.071 -4.728 1.00 0.00 C ATOM 1331 O CYS A 99 -32.232 2.205 -4.421 1.00 0.00 O ATOM 1332 CB CYS A 99 -32.565 -0.804 -3.229 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.082 -2.207 -2.171 1.00 0.00 S ATOM 0 H CYS A 99 -31.403 0.721 -1.664 1.00 0.00 H new ATOM 0 HA CYS A 99 -30.616 -0.542 -4.091 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.292 -0.193 -2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.064 -1.189 -4.118 1.00 0.00 H new ATOM 1338 N ASN A 100 -31.843 0.630 -5.983 1.00 0.00 N ATOM 1339 CA ASN A 100 -32.228 1.481 -7.103 1.00 0.00 C ATOM 1340 C ASN A 100 -33.719 1.363 -7.416 1.00 0.00 C ATOM 1341 O ASN A 100 -34.489 2.291 -7.169 1.00 0.00 O ATOM 1342 CB ASN A 100 -31.403 1.113 -8.338 1.00 0.00 C ATOM 1343 CG ASN A 100 -29.948 0.857 -8.001 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -29.394 1.471 -7.090 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -29.325 -0.064 -8.725 1.00 0.00 N ATOM 0 H ASN A 100 -31.563 -0.314 -6.249 1.00 0.00 H new ATOM 0 HA ASN A 100 -32.030 2.516 -6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -31.828 0.224 -8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -31.468 1.919 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -28.348 -0.287 -8.535 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -29.823 -0.549 -9.471 1.00 0.00 H new ATOM 1352 N SER A 101 -34.117 0.225 -7.976 1.00 0.00 N ATOM 1353 CA SER A 101 -35.512 -0.006 -8.338 1.00 0.00 C ATOM 1354 C SER A 101 -36.433 0.115 -7.125 1.00 0.00 C ATOM 1355 O SER A 101 -37.645 0.273 -7.272 1.00 0.00 O ATOM 1356 CB SER A 101 -35.668 -1.390 -8.971 1.00 0.00 C ATOM 1357 OG SER A 101 -36.927 -1.521 -9.609 1.00 0.00 O ATOM 0 H SER A 101 -33.493 -0.553 -8.189 1.00 0.00 H new ATOM 0 HA SER A 101 -35.800 0.759 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 101 -34.871 -1.553 -9.696 1.00 0.00 H new ATOM 0 HB3 SER A 101 -35.564 -2.158 -8.204 1.00 0.00 H new ATOM 0 HG SER A 101 -37.001 -2.414 -10.007 1.00 0.00 H new ATOM 1363 N GLY A 102 -35.856 0.032 -5.931 1.00 0.00 N ATOM 1364 CA GLY A 102 -36.648 0.120 -4.718 1.00 0.00 C ATOM 1365 C GLY A 102 -36.619 -1.170 -3.924 1.00 0.00 C ATOM 1366 O GLY A 102 -37.554 -1.477 -3.184 1.00 0.00 O ATOM 0 H GLY A 102 -34.855 -0.095 -5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.273 0.935 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -37.679 0.364 -4.975 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.536 -1.923 -4.078 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.371 -3.189 -3.387 1.00 0.00 C ATOM 1372 C TYR A 103 -35.167 -2.971 -1.894 1.00 0.00 C ATOM 1373 O TYR A 103 -35.279 -1.850 -1.398 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.175 -3.939 -3.977 1.00 0.00 C ATOM 1375 CG TYR A 103 -34.511 -4.706 -5.236 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -34.310 -4.144 -6.490 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -35.046 -5.987 -5.168 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -34.624 -4.840 -7.642 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -35.362 -6.690 -6.315 1.00 0.00 C ATOM 1380 CZ TYR A 103 -35.149 -6.113 -7.550 1.00 0.00 C ATOM 1381 OH TYR A 103 -35.464 -6.809 -8.694 1.00 0.00 O ATOM 0 H TYR A 103 -34.754 -1.672 -4.683 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.276 -3.781 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.380 -3.226 -4.196 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.786 -4.632 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -33.902 -3.147 -6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -35.218 -6.440 -4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -34.459 -4.390 -8.610 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -35.774 -7.686 -6.245 1.00 0.00 H new ATOM 0 HH TYR A 103 -35.822 -7.689 -8.453 1.00 0.00 H new ATOM 1391 N SER A 104 -34.877 -4.051 -1.184 1.00 0.00 N ATOM 1392 CA SER A 104 -34.639 -3.984 0.247 1.00 0.00 C ATOM 1393 C SER A 104 -33.184 -4.302 0.558 1.00 0.00 C ATOM 1394 O SER A 104 -32.722 -5.425 0.352 1.00 0.00 O ATOM 1395 CB SER A 104 -35.558 -4.951 0.994 1.00 0.00 C ATOM 1396 OG SER A 104 -36.440 -4.255 1.858 1.00 0.00 O ATOM 0 H SER A 104 -34.801 -4.988 -1.580 1.00 0.00 H new ATOM 0 HA SER A 104 -34.858 -2.970 0.581 1.00 0.00 H new ATOM 0 HB2 SER A 104 -36.134 -5.537 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 104 -34.958 -5.654 1.572 1.00 0.00 H new ATOM 0 HG SER A 104 -37.017 -4.897 2.322 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.468 -3.292 1.026 1.00 0.00 N ATOM 1403 CA LEU A 105 -31.060 -3.429 1.367 1.00 0.00 C ATOM 1404 C LEU A 105 -30.829 -4.638 2.269 1.00 0.00 C ATOM 1405 O LEU A 105 -31.264 -4.661 3.420 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.575 -2.154 2.059 1.00 0.00 C ATOM 1407 CG LEU A 105 -29.433 -1.425 1.351 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.836 -1.053 -0.067 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -28.181 -2.285 1.344 1.00 0.00 C ATOM 0 H LEU A 105 -32.845 -2.357 1.180 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.493 -3.583 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -31.417 -1.469 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -30.252 -2.408 3.069 1.00 0.00 H new ATOM 0 HG LEU A 105 -29.217 -0.506 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -29.011 -0.535 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -30.078 -1.957 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -30.708 -0.400 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.377 -1.753 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.882 -2.501 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -28.384 -3.219 0.821 1.00 0.00 H new ATOM 1421 N ILE A 106 -30.140 -5.641 1.735 1.00 0.00 N ATOM 1422 CA ILE A 106 -29.845 -6.855 2.481 1.00 0.00 C ATOM 1423 C ILE A 106 -28.425 -6.815 3.038 1.00 0.00 C ATOM 1424 O ILE A 106 -27.562 -6.123 2.506 1.00 0.00 O ATOM 1425 CB ILE A 106 -30.008 -8.102 1.589 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -31.446 -8.207 1.084 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -29.619 -9.361 2.345 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -32.464 -8.327 2.195 1.00 0.00 C ATOM 0 H ILE A 106 -29.774 -5.635 0.783 1.00 0.00 H new ATOM 0 HA ILE A 106 -30.553 -6.914 3.308 1.00 0.00 H new ATOM 0 HB ILE A 106 -29.342 -8.000 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -31.677 -7.328 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -31.531 -9.073 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -29.742 -10.228 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -28.578 -9.289 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -30.257 -9.471 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -33.464 -8.398 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -32.257 -9.221 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -32.406 -7.449 2.838 1.00 0.00 H new ATOM 1440 N GLY A 107 -28.187 -7.569 4.105 1.00 0.00 N ATOM 1441 CA GLY A 107 -26.863 -7.606 4.701 1.00 0.00 C ATOM 1442 C GLY A 107 -26.412 -6.251 5.186 1.00 0.00 C ATOM 1443 O GLY A 107 -25.220 -5.945 5.205 1.00 0.00 O ATOM 0 H GLY A 107 -28.884 -8.154 4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -26.863 -8.306 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -26.149 -7.983 3.969 1.00 0.00 H new ATOM 1447 N ASN A 108 -27.381 -5.437 5.540 1.00 0.00 N ATOM 1448 CA ASN A 108 -27.133 -4.096 6.038 1.00 0.00 C ATOM 1449 C ASN A 108 -26.398 -3.246 5.010 1.00 0.00 C ATOM 1450 O ASN A 108 -25.368 -3.645 4.470 1.00 0.00 O ATOM 1451 CB ASN A 108 -26.334 -4.174 7.325 1.00 0.00 C ATOM 1452 CG ASN A 108 -27.191 -3.946 8.553 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -28.030 -2.918 8.507 1.00 0.00 O flip ATOM 1454 ND2 ASN A 108 -27.109 -4.692 9.528 1.00 0.00 N flip ATOM 0 H ASN A 108 -28.369 -5.685 5.492 1.00 0.00 H new ATOM 0 HA ASN A 108 -28.093 -3.618 6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -25.857 -5.152 7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -25.536 -3.432 7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -26.450 -5.470 9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -27.700 -4.532 10.344 1.00 0.00 H new ATOM 1461 N SER A 109 -26.941 -2.065 4.755 1.00 0.00 N ATOM 1462 CA SER A 109 -26.374 -1.143 3.785 1.00 0.00 C ATOM 1463 C SER A 109 -24.963 -0.718 4.178 1.00 0.00 C ATOM 1464 O SER A 109 -24.150 -0.360 3.325 1.00 0.00 O ATOM 1465 CB SER A 109 -27.279 0.081 3.654 1.00 0.00 C ATOM 1466 OG SER A 109 -26.833 1.150 4.471 1.00 0.00 O ATOM 0 H SER A 109 -27.784 -1.720 5.214 1.00 0.00 H new ATOM 0 HA SER A 109 -26.308 -1.653 2.824 1.00 0.00 H new ATOM 0 HB2 SER A 109 -27.306 0.404 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 109 -28.298 -0.188 3.931 1.00 0.00 H new ATOM 0 HG SER A 109 -26.863 0.877 5.412 1.00 0.00 H new ATOM 1472 N GLY A 110 -24.685 -0.753 5.473 1.00 0.00 N ATOM 1473 CA GLY A 110 -23.378 -0.357 5.965 1.00 0.00 C ATOM 1474 C GLY A 110 -22.251 -1.182 5.370 1.00 0.00 C ATOM 1475 O GLY A 110 -22.357 -2.403 5.258 1.00 0.00 O ATOM 0 H GLY A 110 -25.342 -1.049 6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -23.212 0.696 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -23.359 -0.453 7.051 1.00 0.00 H new ATOM 1479 N VAL A 111 -21.167 -0.510 4.990 1.00 0.00 N ATOM 1480 CA VAL A 111 -20.009 -1.182 4.408 1.00 0.00 C ATOM 1481 C VAL A 111 -18.712 -0.632 4.988 1.00 0.00 C ATOM 1482 O VAL A 111 -18.449 0.566 4.908 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.970 -1.025 2.883 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -19.044 -2.059 2.260 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -21.367 -1.124 2.293 1.00 0.00 C ATOM 0 H VAL A 111 -21.067 0.501 5.075 1.00 0.00 H new ATOM 0 HA VAL A 111 -20.105 -2.240 4.654 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.577 -0.035 2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -19.031 -1.930 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -18.036 -1.929 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -19.401 -3.060 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.314 -1.010 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.796 -2.097 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.995 -0.337 2.710 1.00 0.00 H new ATOM 1495 N LEU A 112 -17.900 -1.513 5.557 1.00 0.00 N ATOM 1496 CA LEU A 112 -16.632 -1.108 6.153 1.00 0.00 C ATOM 1497 C LEU A 112 -15.546 -0.963 5.094 1.00 0.00 C ATOM 1498 O LEU A 112 -15.381 -1.829 4.236 1.00 0.00 O ATOM 1499 CB LEU A 112 -16.189 -2.133 7.206 1.00 0.00 C ATOM 1500 CG LEU A 112 -14.732 -2.025 7.666 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -13.823 -2.706 6.665 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -14.329 -0.571 7.862 1.00 0.00 C ATOM 0 H LEU A 112 -18.096 -2.512 5.619 1.00 0.00 H new ATOM 0 HA LEU A 112 -16.782 -0.139 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.835 -2.032 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -16.351 -3.133 6.803 1.00 0.00 H new ATOM 0 HG LEU A 112 -14.633 -2.528 8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.789 -2.625 6.999 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -14.096 -3.758 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -13.929 -2.226 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -13.290 -0.522 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.439 -0.033 6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.969 -0.115 8.618 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.773 0.111 5.198 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.656 0.340 4.297 1.00 0.00 C ATOM 1516 C CYS A 113 -12.342 0.104 5.027 1.00 0.00 C ATOM 1517 O CYS A 113 -11.957 0.903 5.887 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.676 1.770 3.763 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.222 2.204 2.752 1.00 0.00 S ATOM 0 H CYS A 113 -14.902 0.839 5.901 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.747 -0.355 3.462 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.577 1.911 3.165 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.740 2.460 4.604 1.00 0.00 H new ATOM 1524 N SER A 114 -11.659 -0.989 4.695 1.00 0.00 N ATOM 1525 CA SER A 114 -10.389 -1.308 5.336 1.00 0.00 C ATOM 1526 C SER A 114 -9.584 -2.319 4.528 1.00 0.00 C ATOM 1527 O SER A 114 -10.086 -3.381 4.159 1.00 0.00 O ATOM 1528 CB SER A 114 -10.629 -1.843 6.749 1.00 0.00 C ATOM 1529 OG SER A 114 -10.919 -3.230 6.727 1.00 0.00 O ATOM 0 H SER A 114 -11.962 -1.663 3.992 1.00 0.00 H new ATOM 0 HA SER A 114 -9.809 -0.387 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.748 -1.662 7.364 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.456 -1.303 7.210 1.00 0.00 H new ATOM 0 HG SER A 114 -10.824 -3.570 5.813 1.00 0.00 H new ATOM 1535 N GLY A 115 -8.320 -1.986 4.279 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.448 -2.873 3.532 1.00 0.00 C ATOM 1537 C GLY A 115 -7.558 -2.669 2.035 1.00 0.00 C ATOM 1538 O GLY A 115 -7.356 -3.602 1.258 1.00 0.00 O ATOM 0 H GLY A 115 -7.884 -1.115 4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.416 -2.710 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.694 -3.907 3.774 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.864 -1.442 1.630 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.016 -1.147 0.219 1.00 0.00 C ATOM 1544 C GLY A 116 -9.243 -1.807 -0.375 1.00 0.00 C ATOM 1545 O GLY A 116 -9.388 -1.881 -1.595 1.00 0.00 O ATOM 0 H GLY A 116 -8.009 -0.648 2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.083 -0.068 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.129 -1.483 -0.318 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.130 -2.288 0.492 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.345 -2.953 0.046 1.00 0.00 C ATOM 1551 C GLU A 117 -12.524 -2.622 0.953 1.00 0.00 C ATOM 1552 O GLU A 117 -12.395 -1.866 1.915 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.132 -4.467 0.007 1.00 0.00 C ATOM 1554 CG GLU A 117 -11.092 -5.119 1.381 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.411 -6.473 1.364 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -9.835 -6.835 0.316 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -10.452 -7.171 2.399 1.00 0.00 O ATOM 0 H GLU A 117 -10.028 -2.229 1.505 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.574 -2.592 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.932 -4.922 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.198 -4.679 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.569 -4.462 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.110 -5.233 1.755 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.668 -3.217 0.643 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.882 -3.005 1.410 1.00 0.00 C ATOM 1566 C TRP A 118 -15.435 -4.333 1.913 1.00 0.00 C ATOM 1567 O TRP A 118 -15.533 -5.299 1.157 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.919 -2.308 0.540 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.555 -0.898 0.197 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -14.797 -0.482 -0.859 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.936 0.283 0.909 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -14.690 0.885 -0.851 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.377 1.377 0.225 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.695 0.522 2.057 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.552 2.688 0.651 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.873 1.827 2.478 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.298 2.896 1.779 1.00 0.00 C ATOM 0 H TRP A 118 -13.778 -3.857 -0.144 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.650 -2.379 2.271 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.051 -2.876 -0.381 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.879 -2.312 1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.347 -1.134 -1.593 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.181 1.444 -1.536 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -17.135 -0.298 2.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.114 3.514 0.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.465 2.025 3.360 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.446 3.904 2.137 1.00 0.00 H new ATOM 1588 N SER A 119 -15.792 -4.379 3.190 1.00 0.00 N ATOM 1589 CA SER A 119 -16.322 -5.600 3.783 1.00 0.00 C ATOM 1590 C SER A 119 -17.794 -5.447 4.146 1.00 0.00 C ATOM 1591 O SER A 119 -18.290 -4.336 4.335 1.00 0.00 O ATOM 1592 CB SER A 119 -15.518 -5.980 5.027 1.00 0.00 C ATOM 1593 OG SER A 119 -14.309 -5.245 5.100 1.00 0.00 O ATOM 0 H SER A 119 -15.725 -3.589 3.832 1.00 0.00 H new ATOM 0 HA SER A 119 -16.234 -6.394 3.041 1.00 0.00 H new ATOM 0 HB2 SER A 119 -16.115 -5.793 5.920 1.00 0.00 H new ATOM 0 HB3 SER A 119 -15.297 -7.047 5.009 1.00 0.00 H new ATOM 0 HG SER A 119 -13.718 -5.653 5.766 1.00 0.00 H new ATOM 1599 N ASP A 120 -18.482 -6.577 4.241 1.00 0.00 N ATOM 1600 CA ASP A 120 -19.896 -6.595 4.597 1.00 0.00 C ATOM 1601 C ASP A 120 -20.762 -5.868 3.567 1.00 0.00 C ATOM 1602 O ASP A 120 -21.670 -5.123 3.934 1.00 0.00 O ATOM 1603 CB ASP A 120 -20.096 -5.961 5.976 1.00 0.00 C ATOM 1604 CG ASP A 120 -20.879 -6.857 6.915 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -20.650 -8.085 6.894 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -21.723 -6.331 7.672 1.00 0.00 O ATOM 0 H ASP A 120 -18.081 -7.500 4.075 1.00 0.00 H new ATOM 0 HA ASP A 120 -20.212 -7.638 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -19.124 -5.740 6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -20.619 -5.011 5.864 1.00 0.00 H new ATOM 1611 N PRO A 121 -20.525 -6.096 2.261 1.00 0.00 N ATOM 1612 CA PRO A 121 -21.330 -5.479 1.202 1.00 0.00 C ATOM 1613 C PRO A 121 -22.747 -6.046 1.182 1.00 0.00 C ATOM 1614 O PRO A 121 -22.939 -7.253 1.331 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.582 -5.843 -0.080 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.843 -7.092 0.257 1.00 0.00 C ATOM 1617 CD PRO A 121 -19.482 -6.982 1.715 1.00 0.00 C ATOM 0 HA PRO A 121 -21.445 -4.404 1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -21.271 -6.002 -0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.900 -5.048 -0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -20.460 -7.972 0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.950 -7.195 -0.359 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.486 -7.956 2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.486 -6.561 1.851 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.764 -5.186 1.017 1.00 0.00 N ATOM 1626 CA PRO A 122 -25.157 -5.612 1.033 1.00 0.00 C ATOM 1627 C PRO A 122 -25.669 -6.079 -0.316 1.00 0.00 C ATOM 1628 O PRO A 122 -24.924 -6.173 -1.292 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.901 -4.349 1.446 1.00 0.00 C ATOM 1630 CG PRO A 122 -25.052 -3.218 0.963 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.638 -3.727 0.860 1.00 0.00 C ATOM 0 HA PRO A 122 -25.294 -6.467 1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.895 -4.314 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -26.035 -4.307 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.403 -2.861 -0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -25.107 -2.375 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.191 -3.467 -0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -23.003 -3.297 1.635 1.00 0.00 H new ATOM 1639 N THR A 123 -26.964 -6.351 -0.349 1.00 0.00 N ATOM 1640 CA THR A 123 -27.643 -6.773 -1.562 1.00 0.00 C ATOM 1641 C THR A 123 -28.960 -6.022 -1.696 1.00 0.00 C ATOM 1642 O THR A 123 -29.267 -5.146 -0.888 1.00 0.00 O ATOM 1643 CB THR A 123 -27.897 -8.282 -1.538 1.00 0.00 C ATOM 1644 OG1 THR A 123 -27.168 -8.895 -0.489 1.00 0.00 O ATOM 1645 CG2 THR A 123 -27.518 -8.975 -2.828 1.00 0.00 C ATOM 0 H THR A 123 -27.574 -6.285 0.466 1.00 0.00 H new ATOM 0 HA THR A 123 -27.009 -6.546 -2.419 1.00 0.00 H new ATOM 0 HB THR A 123 -28.971 -8.392 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 123 -27.344 -9.859 -0.488 1.00 0.00 H new ATOM 0 HG21 THR A 123 -27.724 -10.042 -2.742 1.00 0.00 H new ATOM 0 HG22 THR A 123 -28.100 -8.558 -3.650 1.00 0.00 H new ATOM 0 HG23 THR A 123 -26.456 -8.825 -3.023 1.00 0.00 H new ATOM 1653 N CYS A 124 -29.740 -6.366 -2.709 1.00 0.00 N ATOM 1654 CA CYS A 124 -31.023 -5.714 -2.922 1.00 0.00 C ATOM 1655 C CYS A 124 -32.083 -6.724 -3.335 1.00 0.00 C ATOM 1656 O CYS A 124 -32.209 -7.065 -4.511 1.00 0.00 O ATOM 1657 CB CYS A 124 -30.889 -4.617 -3.977 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.386 -3.005 -3.298 1.00 0.00 S ATOM 0 H CYS A 124 -29.510 -7.088 -3.392 1.00 0.00 H new ATOM 0 HA CYS A 124 -31.337 -5.260 -1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -30.159 -4.930 -4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -31.843 -4.502 -4.492 1.00 0.00 H new ATOM 1663 N GLN A 125 -32.835 -7.210 -2.354 1.00 0.00 N ATOM 1664 CA GLN A 125 -33.879 -8.187 -2.609 1.00 0.00 C ATOM 1665 C GLN A 125 -35.224 -7.685 -2.109 1.00 0.00 C ATOM 1666 O GLN A 125 -35.294 -6.804 -1.254 1.00 0.00 O ATOM 1667 CB GLN A 125 -33.539 -9.515 -1.934 1.00 0.00 C ATOM 1668 CG GLN A 125 -32.717 -10.446 -2.808 1.00 0.00 C ATOM 1669 CD GLN A 125 -31.923 -11.454 -2.000 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -32.429 -12.034 -1.039 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -30.670 -11.668 -2.386 1.00 0.00 N ATOM 0 H GLN A 125 -32.739 -6.941 -1.375 1.00 0.00 H new ATOM 0 HA GLN A 125 -33.943 -8.339 -3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -32.991 -9.316 -1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -34.464 -10.017 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -33.380 -10.976 -3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -32.034 -9.856 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -30.291 -11.165 -3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -30.087 -12.335 -1.880 1.00 0.00 H new ATOM 1680 N ILE A 126 -36.287 -8.260 -2.647 1.00 0.00 N ATOM 1681 CA ILE A 126 -37.639 -7.883 -2.265 1.00 0.00 C ATOM 1682 C ILE A 126 -38.112 -8.691 -1.061 1.00 0.00 C ATOM 1683 O ILE A 126 -38.715 -9.754 -1.210 1.00 0.00 O ATOM 1684 CB ILE A 126 -38.621 -8.083 -3.433 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -38.170 -7.265 -4.644 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -40.032 -7.695 -3.021 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -38.315 -5.772 -4.452 1.00 0.00 C ATOM 0 H ILE A 126 -36.239 -8.994 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 126 -37.617 -6.826 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 126 -38.627 -9.138 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -37.127 -7.496 -4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -38.751 -7.569 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -40.710 -7.844 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -40.350 -8.316 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -40.049 -6.647 -2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -37.976 -5.255 -5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -39.361 -5.529 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -37.712 -5.454 -3.601 1.00 0.00 H new