USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1062 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: B 29 THR OG1 : rot 40:sc= 0.00869 USER MOD Set 1.2: B 70 GLN :FLIP amide:sc= -1.22! F(o=-3,f=-1.2!) USER MOD Set 2.1: A 12 SER OG : rot -82:sc= 0.687 USER MOD Set 2.2: B 9 CYS SG : rot 64:sc= 0.274 USER MOD Set 3.1: A 74 GLN :FLIP amide:sc= -3.76 F(o=-9.4!,f=-7.4) USER MOD Set 3.2: B 74 GLN :FLIP amide:sc= -3.65 F(o=-9.5,f=-7.4) USER MOD Set 4.1: A 29 THR OG1 : rot 38:sc= -0.0889! USER MOD Set 4.2: A 70 GLN :FLIP amide:sc= -1.07! F(o=-3.2,f=-1.2!) USER MOD Set 5.1: A 9 CYS SG : rot 63:sc= 0.204 USER MOD Set 5.2: B 12 SER OG : rot -61:sc= 0.783 USER MOD Single : A 4 THR OG1 : rot -156:sc= 0.582 USER MOD Single : A 6 THR OG1 : rot 113:sc= -0.663 USER MOD Single : A 18 GLN :FLIP amide:sc= -5.63! C(o=-6.7!,f=-5.6!) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.0161 (180deg=-0.177) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc=-0.00328 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 148:sc= -7.45! (180deg=-10.7!) USER MOD Single : A 40 ASN : amide:sc= 1.13 K(o=1.1,f=-0.26) USER MOD Single : A 41 THR OG1 : rot -76:sc= 1.11 USER MOD Single : A 47 THR OG1 : rot -47:sc= 1.15 USER MOD Single : A 59 MET CE :methyl 165:sc= -10.7! (180deg=-11!) USER MOD Single : A 60 MET CE :methyl 146:sc= -3.43 (180deg=-6.66!) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.689 F(o=-1.2,f=-0.69) USER MOD Single : A 87 CYS SG : rot 180:sc= -0.226 USER MOD Single : A 88 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-2.3) USER MOD Single : A 90 SER OG : rot 50:sc= -0.03 USER MOD Single : B 4 THR OG1 : rot -156:sc= 0.575 USER MOD Single : B 6 THR OG1 : rot -125:sc= -0.95 USER MOD Single : B 18 GLN :FLIP amide:sc= -5.45! C(o=-6.5!,f=-5.5!) USER MOD Single : B 19 LYS NZ :NH3+ 165:sc= -0.0119 (180deg=-0.186) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc=-0.00597 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 39 MET CE :methyl 150:sc= -7.64! (180deg=-10.7!) USER MOD Single : B 40 ASN : amide:sc= 1.19 K(o=1.2,f=-0.25) USER MOD Single : B 41 THR OG1 : rot -74:sc= 1.23 USER MOD Single : B 47 THR OG1 : rot -61:sc= 1.14 USER MOD Single : B 59 MET CE :methyl 166:sc= -10.6! (180deg=-11.2!) USER MOD Single : B 60 MET CE :methyl 139:sc= -3.39 (180deg=-6.7!) USER MOD Single : B 78 ASN :FLIP amide:sc= -0.687 F(o=-1.3,f=-0.69) USER MOD Single : B 87 CYS SG : rot 180:sc= -0.233 USER MOD Single : B 88 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-2.2) USER MOD Single : B 90 SER OG : rot 50:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 7.908 -4.833 15.056 1.00 0.00 N ATOM 52 CA THR A 4 8.444 -3.540 14.645 1.00 0.00 C ATOM 53 C THR A 4 7.333 -2.621 14.167 1.00 0.00 C ATOM 54 O THR A 4 6.313 -3.067 13.644 1.00 0.00 O ATOM 55 CB THR A 4 9.503 -3.713 13.549 1.00 0.00 C ATOM 56 OG1 THR A 4 9.680 -2.508 12.826 1.00 0.00 O ATOM 57 CG2 THR A 4 9.173 -4.802 12.549 1.00 0.00 C ATOM 0 HA THR A 4 8.918 -3.082 15.513 1.00 0.00 H new ATOM 0 HB THR A 4 10.412 -3.997 14.078 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.036 -2.710 11.936 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.967 -4.865 11.805 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.084 -5.757 13.067 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.230 -4.568 12.054 1.00 0.00 H new ATOM 65 N GLU A 5 7.547 -1.329 14.363 1.00 0.00 N ATOM 66 CA GLU A 5 6.586 -0.310 13.972 1.00 0.00 C ATOM 67 C GLU A 5 6.034 -0.568 12.570 1.00 0.00 C ATOM 68 O GLU A 5 4.823 -0.525 12.354 1.00 0.00 O ATOM 69 CB GLU A 5 7.261 1.053 14.040 1.00 0.00 C ATOM 70 CG GLU A 5 6.397 2.132 14.671 1.00 0.00 C ATOM 71 CD GLU A 5 7.055 2.781 15.873 1.00 0.00 C ATOM 72 OE1 GLU A 5 8.138 3.380 15.706 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.489 2.689 16.982 1.00 0.00 O ATOM 0 H GLU A 5 8.392 -0.958 14.798 1.00 0.00 H new ATOM 0 HA GLU A 5 5.740 -0.339 14.659 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.186 0.962 14.609 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.536 1.363 13.032 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.176 2.897 13.926 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.444 1.698 14.974 1.00 0.00 H new ATOM 80 N THR A 6 6.926 -0.844 11.625 1.00 0.00 N ATOM 81 CA THR A 6 6.523 -1.120 10.252 1.00 0.00 C ATOM 82 C THR A 6 5.742 -2.426 10.174 1.00 0.00 C ATOM 83 O THR A 6 4.811 -2.553 9.382 1.00 0.00 O ATOM 84 CB THR A 6 7.747 -1.192 9.342 1.00 0.00 C ATOM 85 OG1 THR A 6 8.699 -0.207 9.702 1.00 0.00 O ATOM 86 CG2 THR A 6 7.410 -0.994 7.881 1.00 0.00 C ATOM 0 H THR A 6 7.933 -0.882 11.785 1.00 0.00 H new ATOM 0 HA THR A 6 5.880 -0.307 9.916 1.00 0.00 H new ATOM 0 HB THR A 6 8.152 -2.195 9.475 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.499 -0.642 10.064 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.321 -1.056 7.286 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.713 -1.768 7.560 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.952 -0.014 7.743 1.00 0.00 H new ATOM 94 N GLU A 7 6.120 -3.393 11.011 1.00 0.00 N ATOM 95 CA GLU A 7 5.452 -4.694 11.032 1.00 0.00 C ATOM 96 C GLU A 7 3.944 -4.523 11.160 1.00 0.00 C ATOM 97 O GLU A 7 3.172 -5.233 10.517 1.00 0.00 O ATOM 98 CB GLU A 7 5.981 -5.547 12.189 1.00 0.00 C ATOM 99 CG GLU A 7 6.598 -6.863 11.741 1.00 0.00 C ATOM 100 CD GLU A 7 6.101 -8.046 12.549 1.00 0.00 C ATOM 101 OE1 GLU A 7 4.871 -8.169 12.725 1.00 0.00 O ATOM 102 OE2 GLU A 7 6.942 -8.848 13.005 1.00 0.00 O ATOM 0 H GLU A 7 6.883 -3.300 11.681 1.00 0.00 H new ATOM 0 HA GLU A 7 5.666 -5.201 10.091 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.727 -4.974 12.740 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.164 -5.755 12.880 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.371 -7.026 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.683 -6.799 11.827 1.00 0.00 H new ATOM 109 N ARG A 8 3.531 -3.560 11.974 1.00 0.00 N ATOM 110 CA ARG A 8 2.115 -3.282 12.161 1.00 0.00 C ATOM 111 C ARG A 8 1.557 -2.571 10.932 1.00 0.00 C ATOM 112 O ARG A 8 0.366 -2.664 10.634 1.00 0.00 O ATOM 113 CB ARG A 8 1.899 -2.425 13.410 1.00 0.00 C ATOM 114 CG ARG A 8 1.456 -3.223 14.624 1.00 0.00 C ATOM 115 CD ARG A 8 0.822 -2.329 15.679 1.00 0.00 C ATOM 116 NE ARG A 8 0.536 -3.056 16.913 1.00 0.00 N ATOM 117 CZ ARG A 8 1.467 -3.423 17.791 1.00 0.00 C ATOM 118 NH1 ARG A 8 2.744 -3.134 17.573 1.00 0.00 N ATOM 119 NH2 ARG A 8 1.120 -4.081 18.888 1.00 0.00 N ATOM 0 H ARG A 8 4.155 -2.960 12.513 1.00 0.00 H new ATOM 0 HA ARG A 8 1.588 -4.227 12.294 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.826 -1.903 13.647 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.150 -1.663 13.193 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.742 -3.988 14.317 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.314 -3.741 15.053 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.490 -1.495 15.896 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.102 -1.904 15.286 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.435 -3.297 17.114 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.016 -2.629 16.730 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.454 -3.417 18.249 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.140 -4.306 19.059 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.833 -4.362 19.561 1.00 0.00 H new ATOM 132 N CYS A 9 2.432 -1.861 10.223 1.00 0.00 N ATOM 133 CA CYS A 9 2.041 -1.129 9.025 1.00 0.00 C ATOM 134 C CYS A 9 1.699 -2.080 7.883 1.00 0.00 C ATOM 135 O CYS A 9 0.631 -1.980 7.280 1.00 0.00 O ATOM 136 CB CYS A 9 3.164 -0.181 8.591 1.00 0.00 C ATOM 137 SG CYS A 9 3.631 1.038 9.844 1.00 0.00 S ATOM 0 H CYS A 9 3.420 -1.778 10.461 1.00 0.00 H new ATOM 0 HA CYS A 9 1.151 -0.548 9.266 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.042 -0.772 8.330 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.853 0.344 7.688 1.00 0.00 H new ATOM 0 HG CYS A 9 4.101 0.426 10.891 1.00 0.00 H new ATOM 143 N ILE A 10 2.614 -2.998 7.581 1.00 0.00 N ATOM 144 CA ILE A 10 2.401 -3.953 6.504 1.00 0.00 C ATOM 145 C ILE A 10 1.142 -4.779 6.734 1.00 0.00 C ATOM 146 O ILE A 10 0.246 -4.806 5.893 1.00 0.00 O ATOM 147 CB ILE A 10 3.597 -4.914 6.361 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.914 -4.137 6.352 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.461 -5.739 5.093 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.694 -4.253 7.637 1.00 0.00 C ATOM 0 H ILE A 10 3.506 -3.098 8.066 1.00 0.00 H new ATOM 0 HA ILE A 10 2.291 -3.370 5.590 1.00 0.00 H new ATOM 0 HB ILE A 10 3.602 -5.588 7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.532 -4.496 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.704 -3.085 6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.313 -6.413 5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.540 -6.321 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.432 -5.076 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.615 -3.676 7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.095 -3.867 8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.936 -5.299 7.823 1.00 0.00 H new ATOM 162 N GLU A 11 1.083 -5.452 7.877 1.00 0.00 N ATOM 163 CA GLU A 11 -0.063 -6.289 8.220 1.00 0.00 C ATOM 164 C GLU A 11 -1.374 -5.520 8.097 1.00 0.00 C ATOM 165 O GLU A 11 -2.432 -6.108 7.873 1.00 0.00 O ATOM 166 CB GLU A 11 0.090 -6.842 9.639 1.00 0.00 C ATOM 167 CG GLU A 11 0.087 -8.361 9.699 1.00 0.00 C ATOM 168 CD GLU A 11 -0.960 -8.906 10.652 1.00 0.00 C ATOM 169 OE1 GLU A 11 -2.109 -8.420 10.612 1.00 0.00 O ATOM 170 OE2 GLU A 11 -0.629 -9.818 11.440 1.00 0.00 O ATOM 0 H GLU A 11 1.817 -5.435 8.585 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.092 -7.118 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.021 -6.471 10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.721 -6.460 10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.093 -8.760 8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.072 -8.710 10.009 1.00 0.00 H new ATOM 177 N SER A 12 -1.298 -4.209 8.266 1.00 0.00 N ATOM 178 CA SER A 12 -2.478 -3.361 8.198 1.00 0.00 C ATOM 179 C SER A 12 -3.124 -3.357 6.806 1.00 0.00 C ATOM 180 O SER A 12 -4.314 -3.634 6.677 1.00 0.00 O ATOM 181 CB SER A 12 -2.103 -1.937 8.605 1.00 0.00 C ATOM 182 OG SER A 12 -2.686 -1.587 9.848 1.00 0.00 O ATOM 0 H SER A 12 -0.429 -3.708 8.452 1.00 0.00 H new ATOM 0 HA SER A 12 -3.216 -3.770 8.888 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.019 -1.849 8.672 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.433 -1.238 7.836 1.00 0.00 H new ATOM 0 HG SER A 12 -3.613 -1.303 9.706 1.00 0.00 H new ATOM 188 N LEU A 13 -2.351 -3.013 5.775 1.00 0.00 N ATOM 189 CA LEU A 13 -2.876 -2.939 4.416 1.00 0.00 C ATOM 190 C LEU A 13 -3.121 -4.311 3.779 1.00 0.00 C ATOM 191 O LEU A 13 -3.973 -4.448 2.908 1.00 0.00 O ATOM 192 CB LEU A 13 -1.936 -2.112 3.556 1.00 0.00 C ATOM 193 CG LEU A 13 -2.274 -0.627 3.518 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.685 -0.416 3.001 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.136 0.008 4.888 1.00 0.00 C ATOM 0 H LEU A 13 -1.361 -2.782 5.858 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.853 -2.460 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.919 -2.233 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.952 -2.504 2.539 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.565 -0.148 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.909 0.650 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.768 -0.824 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.393 -0.923 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.384 1.067 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.814 -0.483 5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.110 -0.104 5.239 1.00 0.00 H new ATOM 207 N ILE A 14 -2.386 -5.324 4.196 1.00 0.00 N ATOM 208 CA ILE A 14 -2.574 -6.654 3.648 1.00 0.00 C ATOM 209 C ILE A 14 -3.918 -7.206 4.034 1.00 0.00 C ATOM 210 O ILE A 14 -4.540 -7.950 3.285 1.00 0.00 O ATOM 211 CB ILE A 14 -1.554 -7.637 4.204 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.151 -7.072 4.167 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.631 -8.938 3.454 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.701 -7.655 5.258 1.00 0.00 C ATOM 0 H ILE A 14 -1.658 -5.253 4.907 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.472 -6.550 2.568 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.797 -7.819 5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.302 -7.281 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.190 -5.988 4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.897 -9.635 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.630 -9.360 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.421 -8.763 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.703 -7.229 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.260 -7.423 6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.760 -8.736 5.135 1.00 0.00 H new ATOM 226 N ALA A 15 -4.314 -6.868 5.239 1.00 0.00 N ATOM 227 CA ALA A 15 -5.540 -7.353 5.823 1.00 0.00 C ATOM 228 C ALA A 15 -6.766 -6.670 5.238 1.00 0.00 C ATOM 229 O ALA A 15 -7.787 -7.314 5.005 1.00 0.00 O ATOM 230 CB ALA A 15 -5.430 -7.176 7.319 1.00 0.00 C ATOM 0 H ALA A 15 -3.787 -6.241 5.847 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.676 -8.409 5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.343 -7.533 7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.579 -7.746 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.289 -6.120 7.551 1.00 0.00 H new ATOM 236 N VAL A 16 -6.659 -5.378 4.964 1.00 0.00 N ATOM 237 CA VAL A 16 -7.758 -4.643 4.369 1.00 0.00 C ATOM 238 C VAL A 16 -8.216 -5.343 3.098 1.00 0.00 C ATOM 239 O VAL A 16 -9.401 -5.360 2.765 1.00 0.00 O ATOM 240 CB VAL A 16 -7.323 -3.214 4.004 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.768 -2.494 5.211 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.279 -3.251 2.910 1.00 0.00 C ATOM 0 H VAL A 16 -5.824 -4.821 5.145 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.570 -4.602 5.095 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.201 -2.673 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.467 -1.486 4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.533 -2.440 5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.903 -3.036 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.978 -2.234 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.410 -3.812 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.695 -3.734 2.026 1.00 0.00 H new ATOM 252 N PHE A 17 -7.242 -5.900 2.384 1.00 0.00 N ATOM 253 CA PHE A 17 -7.508 -6.587 1.124 1.00 0.00 C ATOM 254 C PHE A 17 -8.029 -8.012 1.326 1.00 0.00 C ATOM 255 O PHE A 17 -9.122 -8.343 0.871 1.00 0.00 O ATOM 256 CB PHE A 17 -6.220 -6.625 0.287 1.00 0.00 C ATOM 257 CG PHE A 17 -6.105 -7.821 -0.621 1.00 0.00 C ATOM 258 CD1 PHE A 17 -7.121 -8.138 -1.507 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.980 -8.629 -0.580 1.00 0.00 C ATOM 260 CE1 PHE A 17 -7.019 -9.239 -2.336 1.00 0.00 C ATOM 261 CE2 PHE A 17 -4.872 -9.732 -1.407 1.00 0.00 C ATOM 262 CZ PHE A 17 -5.892 -10.036 -2.286 1.00 0.00 C ATOM 0 H PHE A 17 -6.259 -5.889 2.657 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.289 -6.030 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.166 -5.719 -0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.363 -6.611 0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.004 -7.517 -1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.179 -8.395 0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.819 -9.476 -3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.991 -10.355 -1.365 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.809 -10.896 -2.934 1.00 0.00 H new ATOM 272 N GLN A 18 -7.233 -8.853 1.983 1.00 0.00 N ATOM 273 CA GLN A 18 -7.611 -10.250 2.203 1.00 0.00 C ATOM 274 C GLN A 18 -8.810 -10.389 3.132 1.00 0.00 C ATOM 275 O GLN A 18 -9.567 -11.353 3.024 1.00 0.00 O ATOM 276 CB GLN A 18 -6.439 -11.066 2.747 1.00 0.00 C ATOM 277 CG GLN A 18 -5.595 -10.329 3.762 1.00 0.00 C ATOM 278 CD GLN A 18 -4.165 -10.818 3.791 1.00 0.00 C ATOM 279 OE1 GLN A 18 -3.531 -10.842 2.625 1.00 0.00 O flip ATOM 280 NE2 GLN A 18 -3.634 -11.168 4.845 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.326 -8.594 2.371 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.896 -10.644 1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.825 -11.977 3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.804 -11.371 1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.606 -9.263 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.036 -10.448 4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.161 -11.132 5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.667 -11.493 4.846 1.00 0.00 H new ATOM 289 N LYS A 19 -8.994 -9.439 4.045 1.00 0.00 N ATOM 290 CA LYS A 19 -10.123 -9.506 4.968 1.00 0.00 C ATOM 291 C LYS A 19 -11.417 -9.726 4.192 1.00 0.00 C ATOM 292 O LYS A 19 -12.179 -10.649 4.480 1.00 0.00 O ATOM 293 CB LYS A 19 -10.218 -8.224 5.798 1.00 0.00 C ATOM 294 CG LYS A 19 -11.400 -8.199 6.755 1.00 0.00 C ATOM 295 CD LYS A 19 -11.016 -8.725 8.128 1.00 0.00 C ATOM 296 CE LYS A 19 -10.146 -7.733 8.882 1.00 0.00 C ATOM 297 NZ LYS A 19 -10.911 -6.524 9.292 1.00 0.00 N ATOM 0 H LYS A 19 -8.388 -8.627 4.165 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.967 -10.344 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.297 -8.103 6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.290 -7.370 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.774 -7.179 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.212 -8.801 6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.918 -8.931 8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.483 -9.670 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.728 -8.215 9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.306 -7.436 8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.371 -5.998 10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.071 -5.917 8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.827 -6.812 9.692 1.00 0.00 H new ATOM 311 N TYR A 20 -11.635 -8.894 3.181 1.00 0.00 N ATOM 312 CA TYR A 20 -12.808 -9.015 2.329 1.00 0.00 C ATOM 313 C TYR A 20 -12.583 -10.121 1.305 1.00 0.00 C ATOM 314 O TYR A 20 -13.515 -10.801 0.875 1.00 0.00 O ATOM 315 CB TYR A 20 -13.103 -7.684 1.634 1.00 0.00 C ATOM 316 CG TYR A 20 -14.398 -7.045 2.086 1.00 0.00 C ATOM 317 CD1 TYR A 20 -15.602 -7.730 1.993 1.00 0.00 C ATOM 318 CD2 TYR A 20 -14.413 -5.758 2.606 1.00 0.00 C ATOM 319 CE1 TYR A 20 -16.786 -7.149 2.407 1.00 0.00 C ATOM 320 CE2 TYR A 20 -15.592 -5.170 3.021 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.775 -5.870 2.920 1.00 0.00 C ATOM 322 OH TYR A 20 -17.952 -5.287 3.332 1.00 0.00 O ATOM 0 H TYR A 20 -11.012 -8.126 2.932 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.672 -9.273 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.281 -6.994 1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.143 -7.846 0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -15.614 -8.732 1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.488 -5.207 2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.715 -7.695 2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.587 -4.167 3.422 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.770 -4.385 3.669 1.00 0.00 H new ATOM 332 N ALA A 21 -11.320 -10.274 0.920 1.00 0.00 N ATOM 333 CA ALA A 21 -10.907 -11.269 -0.057 1.00 0.00 C ATOM 334 C ALA A 21 -10.976 -12.689 0.507 1.00 0.00 C ATOM 335 O ALA A 21 -10.784 -13.662 -0.223 1.00 0.00 O ATOM 336 CB ALA A 21 -9.497 -10.939 -0.525 1.00 0.00 C ATOM 0 H ALA A 21 -10.552 -9.707 1.280 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.595 -11.237 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.175 -11.678 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.487 -9.948 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.818 -10.954 0.327 1.00 0.00 H new ATOM 342 N GLY A 22 -11.249 -12.806 1.804 1.00 0.00 N ATOM 343 CA GLY A 22 -11.337 -14.115 2.427 1.00 0.00 C ATOM 344 C GLY A 22 -12.731 -14.705 2.343 1.00 0.00 C ATOM 345 O GLY A 22 -13.591 -14.182 1.636 1.00 0.00 O ATOM 0 H GLY A 22 -11.410 -12.020 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.630 -14.791 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.042 -14.037 3.473 1.00 0.00 H new ATOM 419 N VAL A 28 -6.561 -16.411 -3.848 1.00 0.00 N ATOM 420 CA VAL A 28 -6.708 -15.235 -3.000 1.00 0.00 C ATOM 421 C VAL A 28 -7.590 -14.178 -3.685 1.00 0.00 C ATOM 422 O VAL A 28 -8.772 -14.428 -3.918 1.00 0.00 O ATOM 423 CB VAL A 28 -5.329 -14.645 -2.623 1.00 0.00 C ATOM 424 CG1 VAL A 28 -4.679 -15.476 -1.528 1.00 0.00 C ATOM 425 CG2 VAL A 28 -4.424 -14.569 -3.845 1.00 0.00 C ATOM 0 HA VAL A 28 -7.201 -15.543 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.479 -13.633 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.709 -15.048 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.318 -15.478 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.543 -16.499 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.459 -14.151 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.279 -15.569 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.885 -13.932 -4.600 1.00 0.00 H new ATOM 435 N THR A 29 -7.026 -13.007 -4.008 1.00 0.00 N ATOM 436 CA THR A 29 -7.776 -11.940 -4.663 1.00 0.00 C ATOM 437 C THR A 29 -9.038 -11.582 -3.887 1.00 0.00 C ATOM 438 O THR A 29 -9.493 -12.334 -3.026 1.00 0.00 O ATOM 439 CB THR A 29 -8.135 -12.324 -6.098 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.513 -13.686 -6.186 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.003 -12.094 -7.078 1.00 0.00 C ATOM 0 H THR A 29 -6.049 -12.779 -3.823 1.00 0.00 H new ATOM 0 HA THR A 29 -7.131 -11.062 -4.685 1.00 0.00 H new ATOM 0 HB THR A 29 -8.968 -11.674 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.034 -13.933 -5.394 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.323 -12.386 -8.078 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.731 -11.039 -7.078 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.140 -12.691 -6.784 1.00 0.00 H new ATOM 449 N LEU A 30 -9.592 -10.419 -4.199 1.00 0.00 N ATOM 450 CA LEU A 30 -10.799 -9.943 -3.536 1.00 0.00 C ATOM 451 C LEU A 30 -11.927 -9.695 -4.550 1.00 0.00 C ATOM 452 O LEU A 30 -12.411 -10.633 -5.180 1.00 0.00 O ATOM 453 CB LEU A 30 -10.486 -8.674 -2.725 1.00 0.00 C ATOM 454 CG LEU A 30 -11.489 -8.318 -1.615 1.00 0.00 C ATOM 455 CD1 LEU A 30 -11.743 -6.820 -1.591 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.801 -9.075 -1.785 1.00 0.00 C ATOM 0 H LEU A 30 -9.224 -9.786 -4.909 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.147 -10.714 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.501 -8.789 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.424 -7.832 -3.415 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.051 -8.618 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.455 -6.584 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.806 -6.295 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.150 -6.505 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.487 -8.799 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.246 -8.820 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.610 -10.147 -1.746 1.00 0.00 H new ATOM 468 N SER A 31 -12.350 -8.437 -4.708 1.00 0.00 N ATOM 469 CA SER A 31 -13.416 -8.092 -5.641 1.00 0.00 C ATOM 470 C SER A 31 -13.764 -6.613 -5.526 1.00 0.00 C ATOM 471 O SER A 31 -13.980 -6.104 -4.426 1.00 0.00 O ATOM 472 CB SER A 31 -14.661 -8.943 -5.374 1.00 0.00 C ATOM 473 OG SER A 31 -15.786 -8.436 -6.070 1.00 0.00 O ATOM 0 H SER A 31 -11.966 -7.641 -4.198 1.00 0.00 H new ATOM 0 HA SER A 31 -13.063 -8.295 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.474 -9.972 -5.680 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.870 -8.962 -4.304 1.00 0.00 H new ATOM 0 HG SER A 31 -16.567 -8.998 -5.884 1.00 0.00 H new ATOM 479 N LYS A 32 -13.811 -5.922 -6.662 1.00 0.00 N ATOM 480 CA LYS A 32 -14.127 -4.498 -6.673 1.00 0.00 C ATOM 481 C LYS A 32 -15.416 -4.224 -5.903 1.00 0.00 C ATOM 482 O LYS A 32 -15.569 -3.175 -5.275 1.00 0.00 O ATOM 483 CB LYS A 32 -14.256 -3.989 -8.110 1.00 0.00 C ATOM 484 CG LYS A 32 -15.349 -4.681 -8.910 1.00 0.00 C ATOM 485 CD LYS A 32 -14.775 -5.486 -10.066 1.00 0.00 C ATOM 486 CE LYS A 32 -14.691 -6.967 -9.731 1.00 0.00 C ATOM 487 NZ LYS A 32 -15.346 -7.810 -10.770 1.00 0.00 N ATOM 0 H LYS A 32 -13.635 -6.324 -7.583 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.311 -3.966 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.456 -2.918 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.303 -4.125 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.918 -5.340 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.045 -3.936 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.397 -5.347 -10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.782 -5.111 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.645 -7.258 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.164 -7.148 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.267 -8.812 -10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.350 -7.550 -10.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.879 -7.657 -11.686 1.00 0.00 H new ATOM 501 N THR A 33 -16.335 -5.184 -5.946 1.00 0.00 N ATOM 502 CA THR A 33 -17.604 -5.066 -5.247 1.00 0.00 C ATOM 503 C THR A 33 -17.376 -5.108 -3.741 1.00 0.00 C ATOM 504 O THR A 33 -17.875 -4.262 -3.003 1.00 0.00 O ATOM 505 CB THR A 33 -18.551 -6.189 -5.688 1.00 0.00 C ATOM 506 OG1 THR A 33 -19.358 -5.765 -6.771 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.476 -6.669 -4.591 1.00 0.00 C ATOM 0 H THR A 33 -16.220 -6.056 -6.462 1.00 0.00 H new ATOM 0 HA THR A 33 -18.065 -4.110 -5.497 1.00 0.00 H new ATOM 0 HB THR A 33 -17.899 -7.015 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.954 -6.495 -7.040 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.116 -7.463 -4.976 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.885 -7.051 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.094 -5.840 -4.247 1.00 0.00 H new ATOM 515 N GLU A 34 -16.603 -6.088 -3.289 1.00 0.00 N ATOM 516 CA GLU A 34 -16.302 -6.207 -1.871 1.00 0.00 C ATOM 517 C GLU A 34 -15.538 -4.973 -1.412 1.00 0.00 C ATOM 518 O GLU A 34 -15.638 -4.555 -0.258 1.00 0.00 O ATOM 519 CB GLU A 34 -15.496 -7.473 -1.595 1.00 0.00 C ATOM 520 CG GLU A 34 -16.359 -8.635 -1.139 1.00 0.00 C ATOM 521 CD GLU A 34 -16.594 -9.654 -2.236 1.00 0.00 C ATOM 522 OE1 GLU A 34 -17.369 -9.353 -3.169 1.00 0.00 O ATOM 523 OE2 GLU A 34 -16.005 -10.752 -2.162 1.00 0.00 O ATOM 0 H GLU A 34 -16.178 -6.804 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.235 -6.278 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.958 -7.759 -2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.747 -7.262 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.883 -9.125 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.319 -8.254 -0.790 1.00 0.00 H new ATOM 530 N PHE A 35 -14.799 -4.381 -2.343 1.00 0.00 N ATOM 531 CA PHE A 35 -14.037 -3.175 -2.070 1.00 0.00 C ATOM 532 C PHE A 35 -14.988 -1.999 -1.893 1.00 0.00 C ATOM 533 O PHE A 35 -14.733 -1.086 -1.108 1.00 0.00 O ATOM 534 CB PHE A 35 -13.068 -2.896 -3.223 1.00 0.00 C ATOM 535 CG PHE A 35 -11.766 -2.274 -2.803 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.695 -1.431 -1.702 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.610 -2.530 -3.518 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.495 -0.859 -1.326 1.00 0.00 C ATOM 539 CE2 PHE A 35 -9.409 -1.961 -3.148 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.349 -1.125 -2.051 1.00 0.00 C ATOM 0 H PHE A 35 -14.713 -4.723 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.463 -3.313 -1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.859 -3.832 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.557 -2.237 -3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.588 -1.220 -1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.648 -3.184 -4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.453 -0.205 -0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.515 -2.170 -3.717 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.409 -0.680 -1.760 1.00 0.00 H new ATOM 550 N LEU A 36 -16.096 -2.035 -2.631 1.00 0.00 N ATOM 551 CA LEU A 36 -17.095 -0.979 -2.562 1.00 0.00 C ATOM 552 C LEU A 36 -17.631 -0.828 -1.160 1.00 0.00 C ATOM 553 O LEU A 36 -17.544 0.238 -0.549 1.00 0.00 O ATOM 554 CB LEU A 36 -18.267 -1.323 -3.469 1.00 0.00 C ATOM 555 CG LEU A 36 -18.225 -0.679 -4.836 1.00 0.00 C ATOM 556 CD1 LEU A 36 -18.393 -1.737 -5.908 1.00 0.00 C ATOM 557 CD2 LEU A 36 -19.295 0.394 -4.946 1.00 0.00 C ATOM 0 H LEU A 36 -16.322 -2.786 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.616 -0.051 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.305 -2.405 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.191 -1.027 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.257 -0.199 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.362 -1.267 -6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -17.587 -2.466 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -19.351 -2.240 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.253 0.849 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.277 -0.054 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -19.124 1.158 -4.188 1.00 0.00 H new ATOM 569 N SER A 37 -18.209 -1.907 -0.668 1.00 0.00 N ATOM 570 CA SER A 37 -18.793 -1.903 0.657 1.00 0.00 C ATOM 571 C SER A 37 -17.746 -1.570 1.717 1.00 0.00 C ATOM 572 O SER A 37 -18.048 -0.924 2.721 1.00 0.00 O ATOM 573 CB SER A 37 -19.443 -3.254 0.963 1.00 0.00 C ATOM 574 OG SER A 37 -20.656 -3.411 0.245 1.00 0.00 O ATOM 0 H SER A 37 -18.286 -2.794 -1.165 1.00 0.00 H new ATOM 0 HA SER A 37 -19.562 -1.131 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.756 -4.059 0.703 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.637 -3.334 2.033 1.00 0.00 H new ATOM 0 HG SER A 37 -21.051 -4.283 0.456 1.00 0.00 H new ATOM 580 N PHE A 38 -16.514 -2.010 1.485 1.00 0.00 N ATOM 581 CA PHE A 38 -15.421 -1.755 2.416 1.00 0.00 C ATOM 582 C PHE A 38 -15.201 -0.258 2.590 1.00 0.00 C ATOM 583 O PHE A 38 -15.228 0.258 3.707 1.00 0.00 O ATOM 584 CB PHE A 38 -14.134 -2.415 1.915 1.00 0.00 C ATOM 585 CG PHE A 38 -12.992 -2.330 2.887 1.00 0.00 C ATOM 586 CD1 PHE A 38 -12.940 -3.166 3.989 1.00 0.00 C ATOM 587 CD2 PHE A 38 -11.970 -1.413 2.697 1.00 0.00 C ATOM 588 CE1 PHE A 38 -11.890 -3.091 4.885 1.00 0.00 C ATOM 589 CE2 PHE A 38 -10.919 -1.332 3.589 1.00 0.00 C ATOM 590 CZ PHE A 38 -10.878 -2.172 4.685 1.00 0.00 C ATOM 0 H PHE A 38 -16.247 -2.546 0.659 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.688 -2.183 3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.336 -3.464 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.837 -1.945 0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.729 -3.885 4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.996 -0.754 1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.861 -3.750 5.740 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.130 -0.612 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.057 -2.110 5.384 1.00 0.00 H new ATOM 600 N MET A 39 -14.992 0.439 1.477 1.00 0.00 N ATOM 601 CA MET A 39 -14.777 1.880 1.510 1.00 0.00 C ATOM 602 C MET A 39 -15.966 2.584 2.151 1.00 0.00 C ATOM 603 O MET A 39 -15.823 3.643 2.757 1.00 0.00 O ATOM 604 CB MET A 39 -14.548 2.420 0.099 1.00 0.00 C ATOM 605 CG MET A 39 -13.915 3.802 0.075 1.00 0.00 C ATOM 606 SD MET A 39 -12.364 3.846 -0.843 1.00 0.00 S ATOM 607 CE MET A 39 -11.201 3.403 0.445 1.00 0.00 C ATOM 0 H MET A 39 -14.967 0.029 0.543 1.00 0.00 H new ATOM 0 HA MET A 39 -13.889 2.078 2.110 1.00 0.00 H new ATOM 0 HB2 MET A 39 -13.909 1.727 -0.448 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.502 2.457 -0.427 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.615 4.509 -0.370 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.735 4.132 1.098 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.369 2.849 0.009 1.00 0.00 H new ATOM 0 HE2 MET A 39 -10.825 4.308 0.922 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.701 2.782 1.188 1.00 0.00 H new ATOM 617 N ASN A 40 -17.140 1.983 2.019 1.00 0.00 N ATOM 618 CA ASN A 40 -18.353 2.542 2.595 1.00 0.00 C ATOM 619 C ASN A 40 -18.370 2.359 4.110 1.00 0.00 C ATOM 620 O ASN A 40 -19.113 3.038 4.818 1.00 0.00 O ATOM 621 CB ASN A 40 -19.587 1.885 1.976 1.00 0.00 C ATOM 622 CG ASN A 40 -20.002 2.542 0.674 1.00 0.00 C ATOM 623 OD1 ASN A 40 -20.897 3.387 0.651 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.354 2.155 -0.418 1.00 0.00 N ATOM 0 H ASN A 40 -17.277 1.106 1.517 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.371 3.610 2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.382 0.829 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.414 1.934 2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.591 2.561 -1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -18.619 1.451 -0.352 1.00 0.00 H new ATOM 631 N THR A 41 -17.563 1.418 4.598 1.00 0.00 N ATOM 632 CA THR A 41 -17.507 1.125 6.024 1.00 0.00 C ATOM 633 C THR A 41 -16.105 1.321 6.603 1.00 0.00 C ATOM 634 O THR A 41 -15.814 2.340 7.229 1.00 0.00 O ATOM 635 CB THR A 41 -17.964 -0.313 6.266 1.00 0.00 C ATOM 636 OG1 THR A 41 -17.585 -1.145 5.184 1.00 0.00 O ATOM 637 CG2 THR A 41 -19.457 -0.446 6.442 1.00 0.00 C ATOM 0 H THR A 41 -16.941 0.848 4.025 1.00 0.00 H new ATOM 0 HA THR A 41 -18.171 1.826 6.530 1.00 0.00 H new ATOM 0 HB THR A 41 -17.478 -0.618 7.193 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.181 -0.984 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.712 -1.492 6.610 1.00 0.00 H new ATOM 0 HG22 THR A 41 -19.777 0.147 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.962 -0.089 5.545 1.00 0.00 H new ATOM 645 N GLU A 42 -15.253 0.319 6.411 1.00 0.00 N ATOM 646 CA GLU A 42 -13.888 0.345 6.934 1.00 0.00 C ATOM 647 C GLU A 42 -13.110 1.577 6.474 1.00 0.00 C ATOM 648 O GLU A 42 -12.155 1.993 7.129 1.00 0.00 O ATOM 649 CB GLU A 42 -13.146 -0.925 6.516 1.00 0.00 C ATOM 650 CG GLU A 42 -13.787 -2.201 7.040 1.00 0.00 C ATOM 651 CD GLU A 42 -12.882 -2.966 7.986 1.00 0.00 C ATOM 652 OE1 GLU A 42 -11.647 -2.847 7.852 1.00 0.00 O ATOM 653 OE2 GLU A 42 -13.410 -3.683 8.861 1.00 0.00 O ATOM 0 H GLU A 42 -15.485 -0.528 5.893 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.959 0.394 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.103 -0.970 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.118 -0.870 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.715 -1.952 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.051 -2.842 6.199 1.00 0.00 H new ATOM 660 N LEU A 43 -13.512 2.155 5.350 1.00 0.00 N ATOM 661 CA LEU A 43 -12.838 3.330 4.819 1.00 0.00 C ATOM 662 C LEU A 43 -13.848 4.378 4.372 1.00 0.00 C ATOM 663 O LEU A 43 -13.757 4.917 3.269 1.00 0.00 O ATOM 664 CB LEU A 43 -11.928 2.932 3.656 1.00 0.00 C ATOM 665 CG LEU A 43 -10.493 2.594 4.054 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.669 2.226 2.829 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.863 3.762 4.795 1.00 0.00 C ATOM 0 H LEU A 43 -14.300 1.829 4.790 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.228 3.766 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.363 2.070 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.907 3.748 2.933 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.512 1.732 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.650 1.989 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.112 1.359 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.654 3.066 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.840 3.508 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.856 4.641 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.441 3.977 5.694 1.00 0.00 H new ATOM 679 N ALA A 44 -14.808 4.666 5.243 1.00 0.00 N ATOM 680 CA ALA A 44 -15.836 5.653 4.949 1.00 0.00 C ATOM 681 C ALA A 44 -15.250 7.056 4.995 1.00 0.00 C ATOM 682 O ALA A 44 -15.722 7.965 4.310 1.00 0.00 O ATOM 683 CB ALA A 44 -16.989 5.516 5.930 1.00 0.00 C ATOM 0 H ALA A 44 -14.895 4.228 6.160 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.218 5.477 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.752 6.260 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.419 4.518 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.624 5.672 6.945 1.00 0.00 H new ATOM 689 N ALA A 45 -14.207 7.220 5.801 1.00 0.00 N ATOM 690 CA ALA A 45 -13.534 8.503 5.936 1.00 0.00 C ATOM 691 C ALA A 45 -13.002 8.976 4.586 1.00 0.00 C ATOM 692 O ALA A 45 -12.818 10.173 4.364 1.00 0.00 O ATOM 693 CB ALA A 45 -12.405 8.388 6.948 1.00 0.00 C ATOM 0 H ALA A 45 -13.809 6.475 6.373 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.252 9.242 6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.904 9.351 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.812 8.091 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.689 7.639 6.610 1.00 0.00 H new ATOM 699 N PHE A 46 -12.760 8.024 3.688 1.00 0.00 N ATOM 700 CA PHE A 46 -12.253 8.336 2.357 1.00 0.00 C ATOM 701 C PHE A 46 -13.370 8.270 1.321 1.00 0.00 C ATOM 702 O PHE A 46 -13.125 8.014 0.142 1.00 0.00 O ATOM 703 CB PHE A 46 -11.125 7.369 1.987 1.00 0.00 C ATOM 704 CG PHE A 46 -9.845 7.657 2.717 1.00 0.00 C ATOM 705 CD1 PHE A 46 -8.995 8.655 2.276 1.00 0.00 C ATOM 706 CD2 PHE A 46 -9.499 6.937 3.849 1.00 0.00 C ATOM 707 CE1 PHE A 46 -7.821 8.932 2.947 1.00 0.00 C ATOM 708 CE2 PHE A 46 -8.325 7.209 4.525 1.00 0.00 C ATOM 709 CZ PHE A 46 -7.485 8.208 4.074 1.00 0.00 C ATOM 0 H PHE A 46 -12.908 7.029 3.860 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.860 9.353 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.441 6.349 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.945 7.423 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.253 9.225 1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.153 6.156 4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.166 9.714 2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.064 6.641 5.406 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.567 8.423 4.601 1.00 0.00 H new ATOM 719 N THR A 47 -14.599 8.507 1.773 1.00 0.00 N ATOM 720 CA THR A 47 -15.761 8.480 0.891 1.00 0.00 C ATOM 721 C THR A 47 -17.040 8.767 1.672 1.00 0.00 C ATOM 722 O THR A 47 -18.085 8.169 1.414 1.00 0.00 O ATOM 723 CB THR A 47 -15.870 7.121 0.195 1.00 0.00 C ATOM 724 OG1 THR A 47 -17.050 7.052 -0.587 1.00 0.00 O ATOM 725 CG2 THR A 47 -15.888 5.955 1.158 1.00 0.00 C ATOM 0 H THR A 47 -14.815 8.720 2.747 1.00 0.00 H new ATOM 0 HA THR A 47 -15.632 9.256 0.137 1.00 0.00 H new ATOM 0 HB THR A 47 -14.978 7.042 -0.427 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.812 7.369 -0.058 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.967 5.023 0.599 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.968 5.951 1.742 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.743 6.050 1.828 1.00 0.00 H new ATOM 841 N VAL A 55 -11.305 9.724 -6.711 1.00 0.00 N ATOM 842 CA VAL A 55 -10.189 9.030 -6.074 1.00 0.00 C ATOM 843 C VAL A 55 -10.467 7.532 -5.962 1.00 0.00 C ATOM 844 O VAL A 55 -9.663 6.705 -6.395 1.00 0.00 O ATOM 845 CB VAL A 55 -9.908 9.600 -4.668 1.00 0.00 C ATOM 846 CG1 VAL A 55 -8.796 8.822 -3.980 1.00 0.00 C ATOM 847 CG2 VAL A 55 -9.556 11.078 -4.752 1.00 0.00 C ATOM 0 HA VAL A 55 -9.313 9.186 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.814 9.495 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.616 9.242 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.090 7.777 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.884 8.888 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.361 11.463 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.667 11.206 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.388 11.625 -5.196 1.00 0.00 H new ATOM 857 N LEU A 56 -11.606 7.193 -5.371 1.00 0.00 N ATOM 858 CA LEU A 56 -11.998 5.811 -5.190 1.00 0.00 C ATOM 859 C LEU A 56 -12.322 5.145 -6.522 1.00 0.00 C ATOM 860 O LEU A 56 -11.807 4.075 -6.840 1.00 0.00 O ATOM 861 CB LEU A 56 -13.230 5.773 -4.289 1.00 0.00 C ATOM 862 CG LEU A 56 -13.845 4.397 -4.101 1.00 0.00 C ATOM 863 CD1 LEU A 56 -14.731 4.376 -2.872 1.00 0.00 C ATOM 864 CD2 LEU A 56 -14.640 3.981 -5.331 1.00 0.00 C ATOM 0 H LEU A 56 -12.278 7.869 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.170 5.266 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.959 6.170 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.986 6.439 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.034 3.682 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.164 3.383 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.138 4.622 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.530 5.108 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.069 2.992 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.440 4.700 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.980 3.953 -6.198 1.00 0.00 H new ATOM 876 N ASP A 57 -13.200 5.783 -7.282 1.00 0.00 N ATOM 877 CA ASP A 57 -13.633 5.260 -8.573 1.00 0.00 C ATOM 878 C ASP A 57 -12.463 5.048 -9.532 1.00 0.00 C ATOM 879 O ASP A 57 -12.488 4.133 -10.354 1.00 0.00 O ATOM 880 CB ASP A 57 -14.656 6.206 -9.204 1.00 0.00 C ATOM 881 CG ASP A 57 -16.085 5.766 -8.951 1.00 0.00 C ATOM 882 OD1 ASP A 57 -16.587 5.994 -7.830 1.00 0.00 O ATOM 883 OD2 ASP A 57 -16.703 5.194 -9.874 1.00 0.00 O ATOM 0 H ASP A 57 -13.631 6.671 -7.025 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.090 4.287 -8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.512 7.210 -8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.481 6.262 -10.278 1.00 0.00 H new ATOM 888 N ARG A 58 -11.447 5.900 -9.441 1.00 0.00 N ATOM 889 CA ARG A 58 -10.293 5.793 -10.324 1.00 0.00 C ATOM 890 C ARG A 58 -9.609 4.435 -10.191 1.00 0.00 C ATOM 891 O ARG A 58 -9.408 3.735 -11.182 1.00 0.00 O ATOM 892 CB ARG A 58 -9.290 6.907 -10.017 1.00 0.00 C ATOM 893 CG ARG A 58 -8.594 7.452 -11.251 1.00 0.00 C ATOM 894 CD ARG A 58 -8.981 8.897 -11.522 1.00 0.00 C ATOM 895 NE ARG A 58 -7.850 9.688 -11.999 1.00 0.00 N ATOM 896 CZ ARG A 58 -7.234 9.479 -13.160 1.00 0.00 C ATOM 897 NH1 ARG A 58 -7.639 8.506 -13.968 1.00 0.00 N ATOM 898 NH2 ARG A 58 -6.212 10.245 -13.517 1.00 0.00 N ATOM 0 H ARG A 58 -11.400 6.667 -8.770 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.650 5.894 -11.349 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.808 7.722 -9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.539 6.528 -9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.514 7.383 -11.120 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.851 6.838 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.780 8.925 -12.262 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.376 9.343 -10.609 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.512 10.446 -11.407 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.426 7.915 -13.700 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.163 8.350 -14.857 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.897 10.995 -12.902 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.740 10.084 -14.407 1.00 0.00 H new ATOM 911 N MET A 59 -9.246 4.067 -8.971 1.00 0.00 N ATOM 912 CA MET A 59 -8.581 2.791 -8.739 1.00 0.00 C ATOM 913 C MET A 59 -9.554 1.624 -8.790 1.00 0.00 C ATOM 914 O MET A 59 -9.240 0.576 -9.346 1.00 0.00 O ATOM 915 CB MET A 59 -7.838 2.799 -7.405 1.00 0.00 C ATOM 916 CG MET A 59 -6.331 2.961 -7.584 1.00 0.00 C ATOM 917 SD MET A 59 -5.805 4.677 -7.491 1.00 0.00 S ATOM 918 CE MET A 59 -6.726 5.182 -6.052 1.00 0.00 C ATOM 0 H MET A 59 -9.398 4.627 -8.132 1.00 0.00 H new ATOM 0 HA MET A 59 -7.859 2.657 -9.545 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.218 3.611 -6.785 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.041 1.870 -6.873 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.814 2.384 -6.817 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.037 2.546 -8.548 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.332 6.128 -5.682 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.776 5.305 -6.317 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.634 4.422 -5.276 1.00 0.00 H new ATOM 928 N MET A 60 -10.720 1.798 -8.184 1.00 0.00 N ATOM 929 CA MET A 60 -11.722 0.738 -8.141 1.00 0.00 C ATOM 930 C MET A 60 -12.407 0.526 -9.494 1.00 0.00 C ATOM 931 O MET A 60 -12.433 -0.593 -10.008 1.00 0.00 O ATOM 932 CB MET A 60 -12.761 1.032 -7.058 1.00 0.00 C ATOM 933 CG MET A 60 -12.553 0.211 -5.793 1.00 0.00 C ATOM 934 SD MET A 60 -12.254 1.227 -4.334 1.00 0.00 S ATOM 935 CE MET A 60 -10.709 2.017 -4.779 1.00 0.00 C ATOM 0 H MET A 60 -10.997 2.661 -7.716 1.00 0.00 H new ATOM 0 HA MET A 60 -11.200 -0.187 -7.898 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.725 2.092 -6.806 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.757 0.832 -7.454 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.432 -0.411 -5.622 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.709 -0.463 -5.939 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.685 3.026 -4.368 1.00 0.00 H new ATOM 0 HE2 MET A 60 -9.876 1.441 -4.376 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.625 2.066 -5.865 1.00 0.00 H new ATOM 1083 N GLN A 70 -10.553 -11.376 -11.121 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.564 -11.142 -9.683 1.00 0.00 C ATOM 1085 C GLN A 70 -9.680 -9.954 -9.310 1.00 0.00 C ATOM 1086 O GLN A 70 -8.878 -9.488 -10.119 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.095 -12.399 -8.949 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.231 -13.217 -8.355 1.00 0.00 C ATOM 1089 CD GLN A 70 -11.899 -12.514 -7.193 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.858 -11.648 -7.496 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -11.559 -12.752 -6.034 1.00 0.00 N flip ATOM 0 HA GLN A 70 -11.585 -10.908 -9.383 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.531 -13.025 -9.641 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.411 -12.110 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.972 -13.421 -9.128 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.846 -14.180 -8.021 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.816 -13.426 -5.849 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.020 -12.275 -5.259 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.829 -9.471 -8.077 1.00 0.00 N ATOM 1101 CA LEU A 71 -9.041 -8.342 -7.597 1.00 0.00 C ATOM 1102 C LEU A 71 -7.556 -8.734 -7.524 1.00 0.00 C ATOM 1103 O LEU A 71 -7.030 -9.272 -8.498 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.603 -7.854 -6.249 1.00 0.00 C ATOM 1105 CG LEU A 71 -10.329 -6.500 -6.280 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -9.339 -5.359 -6.118 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -11.131 -6.333 -7.567 1.00 0.00 C ATOM 0 H LEU A 71 -10.488 -9.845 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.112 -7.506 -8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.294 -8.607 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.781 -7.788 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.027 -6.476 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.872 -4.409 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.821 -5.460 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.613 -5.389 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.633 -5.366 -7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.459 -6.387 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.874 -7.127 -7.638 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.867 -8.488 -6.402 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.450 -8.857 -6.308 1.00 0.00 C ATOM 1121 C ASP A 72 -4.815 -8.394 -5.001 1.00 0.00 C ATOM 1122 O ASP A 72 -5.493 -7.889 -4.108 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.662 -8.283 -7.490 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.737 -9.306 -8.119 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -3.399 -10.298 -7.441 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -3.352 -9.115 -9.292 1.00 0.00 O ATOM 0 H ASP A 72 -7.255 -8.047 -5.568 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.409 -9.946 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.359 -7.915 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.077 -7.427 -7.152 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.500 -8.586 -4.904 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.745 -8.211 -3.713 1.00 0.00 C ATOM 1133 C PHE A 73 -2.362 -6.731 -3.718 1.00 0.00 C ATOM 1134 O PHE A 73 -2.703 -6.000 -2.787 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.493 -9.081 -3.584 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.491 -8.864 -4.681 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.630 -9.503 -5.903 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.587 -8.016 -4.491 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.288 -9.301 -6.915 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.509 -7.809 -5.502 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.359 -8.452 -6.714 1.00 0.00 C ATOM 0 H PHE A 73 -2.934 -9.002 -5.643 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.391 -8.378 -2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.018 -8.878 -2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.789 -10.130 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.466 -10.167 -6.066 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.709 -7.511 -3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.169 -9.806 -7.862 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.345 -7.145 -5.343 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.078 -8.292 -7.504 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.652 -6.283 -4.755 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.247 -4.885 -4.828 1.00 0.00 C ATOM 1153 C GLN A 74 -2.408 -4.021 -5.276 1.00 0.00 C ATOM 1154 O GLN A 74 -2.505 -2.864 -4.882 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.058 -4.678 -5.768 1.00 0.00 C ATOM 1156 CG GLN A 74 0.358 -3.211 -5.903 1.00 0.00 C ATOM 1157 CD GLN A 74 0.424 -2.486 -4.564 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.102 -1.260 -4.513 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.943 -3.023 -3.585 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.352 -6.859 -5.541 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.936 -4.589 -3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.790 -5.257 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.310 -5.069 -6.754 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.333 -3.159 -6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.349 -2.697 -6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.334 -3.962 -3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.982 -2.529 -2.693 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.297 -4.585 -6.091 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.455 -3.845 -6.562 1.00 0.00 C ATOM 1170 C GLU A 75 -5.079 -3.091 -5.405 1.00 0.00 C ATOM 1171 O GLU A 75 -5.338 -1.905 -5.501 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.474 -4.788 -7.200 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.644 -4.555 -8.689 1.00 0.00 C ATOM 1174 CD GLU A 75 -5.445 -5.815 -9.508 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -6.410 -6.596 -9.642 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -4.324 -6.020 -10.019 1.00 0.00 O ATOM 0 H GLU A 75 -3.235 -5.544 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.136 -3.132 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.162 -5.819 -7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.437 -4.662 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.641 -4.158 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.932 -3.798 -9.017 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.286 -3.777 -4.298 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.853 -3.132 -3.131 1.00 0.00 C ATOM 1185 C PHE A 76 -4.896 -2.075 -2.594 1.00 0.00 C ATOM 1186 O PHE A 76 -5.275 -0.919 -2.415 1.00 0.00 O ATOM 1187 CB PHE A 76 -6.164 -4.158 -2.048 1.00 0.00 C ATOM 1188 CG PHE A 76 -7.372 -3.813 -1.223 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -7.326 -2.780 -0.302 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.551 -4.527 -1.367 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -8.435 -2.462 0.460 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.663 -4.214 -0.607 1.00 0.00 C ATOM 1193 CZ PHE A 76 -9.604 -3.180 0.307 1.00 0.00 C ATOM 0 H PHE A 76 -5.073 -4.768 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.784 -2.647 -3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.318 -5.131 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.300 -4.253 -1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.413 -2.216 -0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.602 -5.336 -2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.387 -1.653 1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.577 -4.777 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.471 -2.934 0.901 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.649 -2.473 -2.349 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.642 -1.547 -1.847 1.00 0.00 C ATOM 1205 C LEU A 77 -2.563 -0.317 -2.748 1.00 0.00 C ATOM 1206 O LEU A 77 -2.435 0.808 -2.271 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.281 -2.238 -1.757 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.978 -2.866 -0.398 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.108 -3.924 -0.520 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.576 -1.790 0.594 1.00 0.00 C ATOM 0 H LEU A 77 -3.315 -3.426 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.929 -1.225 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.230 -3.014 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.503 -1.511 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.880 -3.357 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.306 -4.357 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.222 -4.707 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.019 -3.467 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.362 -2.247 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.313 -1.275 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.390 -1.074 0.704 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.677 -0.545 -4.050 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.662 0.537 -5.025 1.00 0.00 C ATOM 1224 C ASN A 78 -4.012 1.240 -5.001 1.00 0.00 C ATOM 1225 O ASN A 78 -4.100 2.460 -5.144 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.357 -0.008 -6.433 1.00 0.00 C ATOM 1227 CG ASN A 78 -3.202 0.628 -7.525 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -4.005 -0.187 -8.200 1.00 0.00 O flip ATOM 1229 ND2 ASN A 78 -3.133 1.835 -7.756 1.00 0.00 N flip ATOM 0 H ASN A 78 -2.781 -1.475 -4.457 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.878 1.249 -4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.303 0.157 -6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.520 -1.086 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.502 2.423 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.707 2.247 -8.491 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.062 0.448 -4.807 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.415 0.972 -4.752 1.00 0.00 C ATOM 1238 C LEU A 79 -6.544 1.942 -3.596 1.00 0.00 C ATOM 1239 O LEU A 79 -6.883 3.098 -3.794 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.426 -0.162 -4.614 1.00 0.00 C ATOM 1241 CG LEU A 79 -7.780 -0.889 -5.921 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -9.191 -0.570 -6.358 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -6.806 -0.549 -7.038 1.00 0.00 C ATOM 0 H LEU A 79 -4.997 -0.563 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.625 1.501 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.034 -0.892 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.342 0.241 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.706 -1.957 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.413 -1.098 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.891 -0.885 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.288 0.504 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.091 -1.083 -7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.829 0.524 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.799 -0.844 -6.745 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.241 1.460 -2.394 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.294 2.283 -1.194 1.00 0.00 C ATOM 1257 C ILE A 80 -5.080 3.196 -1.111 1.00 0.00 C ATOM 1258 O ILE A 80 -5.207 4.386 -0.819 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.386 1.439 0.092 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.758 2.330 1.277 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -5.074 0.728 0.359 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.568 2.998 1.937 1.00 0.00 C ATOM 0 H ILE A 80 -5.954 0.496 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.201 2.883 -1.270 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.162 0.686 -0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.452 3.099 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.284 1.730 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.159 0.137 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.839 0.071 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.279 1.464 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.911 3.613 2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.883 2.236 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.053 3.626 1.209 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.898 2.641 -1.382 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.690 3.441 -1.341 1.00 0.00 C ATOM 1276 C GLY A 81 -2.840 4.674 -2.199 1.00 0.00 C ATOM 1277 O GLY A 81 -2.612 5.793 -1.741 1.00 0.00 O ATOM 0 H GLY A 81 -3.759 1.661 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.474 3.731 -0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.844 2.849 -1.690 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.267 4.466 -3.439 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.488 5.587 -4.333 1.00 0.00 C ATOM 1283 C GLY A 82 -4.470 6.587 -3.742 1.00 0.00 C ATOM 1284 O GLY A 82 -4.364 7.788 -3.988 1.00 0.00 O ATOM 0 H GLY A 82 -3.463 3.548 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.539 6.084 -4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.868 5.223 -5.287 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.419 6.090 -2.942 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.404 6.957 -2.297 1.00 0.00 C ATOM 1290 C LEU A 83 -5.712 7.851 -1.287 1.00 0.00 C ATOM 1291 O LEU A 83 -5.962 9.054 -1.230 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.500 6.133 -1.610 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.017 4.961 -2.436 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.115 4.200 -1.725 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.522 5.436 -3.777 1.00 0.00 C ATOM 0 H LEU A 83 -5.524 5.098 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.877 7.572 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.113 5.753 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.336 6.790 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.176 4.283 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.451 3.375 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.734 3.807 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.952 4.869 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.887 4.584 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.334 6.148 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.711 5.920 -4.321 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.821 7.258 -0.497 1.00 0.00 N ATOM 1308 CA ALA A 84 -4.076 8.015 0.501 1.00 0.00 C ATOM 1309 C ALA A 84 -3.336 9.178 -0.145 1.00 0.00 C ATOM 1310 O ALA A 84 -3.167 10.239 0.454 1.00 0.00 O ATOM 1311 CB ALA A 84 -3.075 7.117 1.200 1.00 0.00 C ATOM 0 H ALA A 84 -4.599 6.263 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.789 8.405 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.525 7.694 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.601 6.300 1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.378 6.710 0.468 1.00 0.00 H new ATOM 1317 N VAL A 85 -2.891 8.953 -1.372 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.151 9.961 -2.124 1.00 0.00 C ATOM 1319 C VAL A 85 -3.081 10.915 -2.851 1.00 0.00 C ATOM 1320 O VAL A 85 -2.675 12.000 -3.264 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.172 9.338 -3.148 1.00 0.00 C ATOM 1322 CG1 VAL A 85 0.250 9.742 -2.816 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.294 7.819 -3.204 1.00 0.00 C ATOM 0 H VAL A 85 -3.030 8.075 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.573 10.512 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.436 9.720 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.933 9.299 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.337 10.828 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.504 9.390 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.589 7.424 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.072 7.400 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.309 7.546 -3.494 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.324 10.505 -3.011 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.306 11.317 -3.697 1.00 0.00 C ATOM 1335 C ALA A 86 -6.420 11.748 -2.753 1.00 0.00 C ATOM 1336 O ALA A 86 -7.474 12.208 -3.190 1.00 0.00 O ATOM 1337 CB ALA A 86 -5.863 10.535 -4.863 1.00 0.00 C ATOM 0 H ALA A 86 -4.678 9.610 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.825 12.224 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.604 11.140 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.055 10.279 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.332 9.622 -4.498 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.183 11.588 -1.457 1.00 0.00 N ATOM 1344 CA CYS A 87 -7.170 11.953 -0.454 1.00 0.00 C ATOM 1345 C CYS A 87 -6.524 12.156 0.916 1.00 0.00 C ATOM 1346 O CYS A 87 -6.884 13.083 1.643 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.255 10.879 -0.374 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.858 11.494 0.193 1.00 0.00 S ATOM 0 H CYS A 87 -5.316 11.208 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.622 12.899 -0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.378 10.427 -1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.921 10.089 0.299 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.712 10.514 0.227 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.570 11.294 1.272 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.896 11.410 2.562 1.00 0.00 C ATOM 1356 C HIS A 88 -3.614 12.229 2.441 1.00 0.00 C ATOM 1357 O HIS A 88 -3.247 12.671 1.352 1.00 0.00 O ATOM 1358 CB HIS A 88 -4.581 10.028 3.137 1.00 0.00 C ATOM 1359 CG HIS A 88 -4.623 9.982 4.633 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -4.062 8.962 5.373 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -5.163 10.840 5.531 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -4.257 9.194 6.659 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -4.923 10.328 6.781 1.00 0.00 N ATOM 0 H HIS A 88 -5.251 10.518 0.692 1.00 0.00 H new ATOM 0 HA HIS A 88 -5.573 11.927 3.242 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.294 9.306 2.739 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.592 9.719 2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.686 11.758 5.305 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.928 8.564 7.472 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.212 10.754 7.662 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.941 12.432 3.570 1.00 0.00 N ATOM 1373 CA GLU A 89 -1.703 13.203 3.599 1.00 0.00 C ATOM 1374 C GLU A 89 -0.610 12.526 2.779 1.00 0.00 C ATOM 1375 O GLU A 89 0.116 11.668 3.282 1.00 0.00 O ATOM 1376 CB GLU A 89 -1.230 13.393 5.042 1.00 0.00 C ATOM 1377 CG GLU A 89 -2.081 14.371 5.838 1.00 0.00 C ATOM 1378 CD GLU A 89 -1.288 15.562 6.340 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -0.067 15.411 6.560 1.00 0.00 O ATOM 1380 OE2 GLU A 89 -1.886 16.644 6.514 1.00 0.00 O ATOM 0 H GLU A 89 -3.233 12.072 4.479 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.907 14.178 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.233 12.427 5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.198 13.745 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.902 14.723 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.526 13.852 6.687 1.00 0.00 H new ATOM 1387 N SER A 90 -0.494 12.921 1.515 1.00 0.00 N ATOM 1388 CA SER A 90 0.513 12.361 0.618 1.00 0.00 C ATOM 1389 C SER A 90 0.319 12.886 -0.801 1.00 0.00 C ATOM 1390 O SER A 90 -0.661 12.553 -1.466 1.00 0.00 O ATOM 1391 CB SER A 90 0.451 10.829 0.626 1.00 0.00 C ATOM 1392 OG SER A 90 -0.796 10.369 1.117 1.00 0.00 O ATOM 0 H SER A 90 -1.088 13.631 1.086 1.00 0.00 H new ATOM 0 HA SER A 90 1.495 12.672 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.609 10.451 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.257 10.433 1.244 1.00 0.00 H new ATOM 0 HG SER A 90 -1.522 10.838 0.656 1.00 0.00 H new ATOM 1398 N PHE A 91 1.258 13.713 -1.254 1.00 0.00 N ATOM 1399 CA PHE A 91 1.191 14.293 -2.594 1.00 0.00 C ATOM 1400 C PHE A 91 0.042 15.291 -2.693 1.00 0.00 C ATOM 1401 O PHE A 91 0.263 16.493 -2.847 1.00 0.00 O ATOM 1402 CB PHE A 91 1.022 13.194 -3.647 1.00 0.00 C ATOM 1403 CG PHE A 91 1.800 13.447 -4.907 1.00 0.00 C ATOM 1404 CD1 PHE A 91 1.328 14.332 -5.863 1.00 0.00 C ATOM 1405 CD2 PHE A 91 3.004 12.799 -5.136 1.00 0.00 C ATOM 1406 CE1 PHE A 91 2.041 14.565 -7.022 1.00 0.00 C ATOM 1407 CE2 PHE A 91 3.722 13.029 -6.293 1.00 0.00 C ATOM 1408 CZ PHE A 91 3.241 13.914 -7.239 1.00 0.00 C ATOM 0 H PHE A 91 2.075 13.997 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 91 2.127 14.819 -2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 91 1.336 12.242 -3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -0.035 13.099 -3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.392 14.845 -5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.385 12.106 -4.401 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.661 15.256 -7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.659 12.518 -6.458 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.801 14.096 -8.145 1.00 0.00 H new ATOM 1418 N VAL A 92 -1.184 14.787 -2.603 1.00 0.00 N ATOM 1419 CA VAL A 92 -2.369 15.633 -2.679 1.00 0.00 C ATOM 1420 C VAL A 92 -2.392 16.650 -1.541 1.00 0.00 C ATOM 1421 O VAL A 92 -3.019 17.703 -1.650 1.00 0.00 O ATOM 1422 CB VAL A 92 -3.662 14.794 -2.636 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -3.757 14.022 -1.329 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -4.882 15.682 -2.832 1.00 0.00 C ATOM 0 H VAL A 92 -1.383 13.795 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.322 16.161 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.632 14.073 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.676 13.436 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.900 13.354 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.763 14.721 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.785 15.072 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.919 16.429 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.817 16.181 -3.799 1.00 0.00 H new ATOM 1638 N THR B 4 -10.730 4.870 12.481 1.00 0.00 N ATOM 1639 CA THR B 4 -11.150 3.561 11.990 1.00 0.00 C ATOM 1640 C THR B 4 -9.957 2.631 11.840 1.00 0.00 C ATOM 1641 O THR B 4 -8.835 3.064 11.581 1.00 0.00 O ATOM 1642 CB THR B 4 -11.892 3.693 10.655 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.884 2.465 9.950 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.314 4.751 9.737 1.00 0.00 C ATOM 0 HA THR B 4 -11.832 3.131 12.724 1.00 0.00 H new ATOM 0 HB THR B 4 -12.905 3.990 10.926 1.00 0.00 H new ATOM 0 HG1 THR B 4 -12.000 2.637 8.992 1.00 0.00 H new ATOM 0 HG21 THR B 4 -11.891 4.786 8.813 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.358 5.723 10.229 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.277 4.507 9.508 1.00 0.00 H new ATOM 1652 N GLU B 5 -10.219 1.346 12.016 1.00 0.00 N ATOM 1653 CA GLU B 5 -9.193 0.320 11.915 1.00 0.00 C ATOM 1654 C GLU B 5 -8.302 0.534 10.693 1.00 0.00 C ATOM 1655 O GLU B 5 -7.075 0.491 10.795 1.00 0.00 O ATOM 1656 CB GLU B 5 -9.870 -1.044 11.853 1.00 0.00 C ATOM 1657 CG GLU B 5 -9.200 -2.098 12.719 1.00 0.00 C ATOM 1658 CD GLU B 5 -10.145 -2.711 13.733 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -11.152 -3.320 13.314 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -9.880 -2.582 14.947 1.00 0.00 O ATOM 0 H GLU B 5 -11.148 0.985 12.233 1.00 0.00 H new ATOM 0 HA GLU B 5 -8.549 0.376 12.792 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.909 -0.938 12.163 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.880 -1.388 10.819 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -8.799 -2.885 12.081 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -8.355 -1.649 13.241 1.00 0.00 H new ATOM 1667 N THR B 6 -8.923 0.775 9.543 1.00 0.00 N ATOM 1668 CA THR B 6 -8.181 1.009 8.311 1.00 0.00 C ATOM 1669 C THR B 6 -7.400 2.315 8.393 1.00 0.00 C ATOM 1670 O THR B 6 -6.297 2.420 7.861 1.00 0.00 O ATOM 1671 CB THR B 6 -9.133 1.046 7.117 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.149 0.069 7.253 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.436 0.803 5.797 1.00 0.00 C ATOM 0 H THR B 6 -9.937 0.813 9.439 1.00 0.00 H new ATOM 0 HA THR B 6 -7.476 0.189 8.177 1.00 0.00 H new ATOM 0 HB THR B 6 -9.554 2.051 7.111 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.162 -0.502 6.457 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.165 0.842 4.988 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.678 1.570 5.639 1.00 0.00 H new ATOM 0 HG23 THR B 6 -7.962 -0.178 5.811 1.00 0.00 H new ATOM 1681 N GLU B 7 -7.975 3.306 9.073 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.330 4.610 9.222 1.00 0.00 C ATOM 1683 C GLU B 7 -5.905 4.450 9.736 1.00 0.00 C ATOM 1684 O GLU B 7 -4.991 5.143 9.289 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.133 5.499 10.178 1.00 0.00 C ATOM 1686 CG GLU B 7 -8.610 6.797 9.546 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.329 8.007 10.416 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -7.184 8.141 10.896 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -9.256 8.821 10.617 1.00 0.00 O ATOM 0 H GLU B 7 -8.884 3.231 9.529 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.296 5.085 8.242 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -8.997 4.942 10.540 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.518 5.732 11.047 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -8.122 6.927 8.580 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -9.681 6.732 9.356 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.718 3.516 10.659 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.397 3.250 11.210 1.00 0.00 C ATOM 1698 C ARG B 8 -3.546 2.503 10.187 1.00 0.00 C ATOM 1699 O ARG B 8 -2.317 2.591 10.200 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.510 2.434 12.500 1.00 0.00 C ATOM 1701 CG ARG B 8 -4.388 3.272 13.761 1.00 0.00 C ATOM 1702 CD ARG B 8 -4.047 2.415 14.970 1.00 0.00 C ATOM 1703 NE ARG B 8 -4.082 3.183 16.213 1.00 0.00 N ATOM 1704 CZ ARG B 8 -5.205 3.573 16.812 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -6.386 3.272 16.285 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -5.147 4.268 17.939 1.00 0.00 N ATOM 0 H ARG B 8 -6.462 2.932 11.041 1.00 0.00 H new ATOM 0 HA ARG B 8 -3.918 4.201 11.443 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.469 1.915 12.509 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -3.734 1.669 12.505 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -3.617 4.030 13.622 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -5.325 3.799 13.940 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -4.751 1.585 15.036 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -3.055 1.982 14.839 1.00 0.00 H new ATOM 0 HE ARG B 8 -3.194 3.435 16.647 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -6.436 2.739 15.417 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -7.243 3.574 16.749 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -4.242 4.504 18.347 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -6.007 4.567 18.399 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.214 1.766 9.302 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.534 0.996 8.269 1.00 0.00 C ATOM 1721 C CYS B 9 -2.909 1.912 7.220 1.00 0.00 C ATOM 1722 O CYS B 9 -1.723 1.798 6.913 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.514 0.031 7.593 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.290 -1.149 8.723 1.00 0.00 S ATOM 0 H CYS B 9 -5.231 1.687 9.282 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.738 0.426 8.748 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -5.294 0.610 7.098 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -3.985 -0.521 6.816 1.00 0.00 H new ATOM 0 HG CYS B 9 -6.025 -0.508 9.582 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.712 2.816 6.665 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.228 3.737 5.648 1.00 0.00 C ATOM 1732 C ILE B 10 -2.066 4.576 6.165 1.00 0.00 C ATOM 1733 O ILE B 10 -0.985 4.580 5.581 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.344 4.687 5.174 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.620 3.906 4.855 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.886 5.473 3.958 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.700 4.060 5.894 1.00 0.00 C ATOM 0 H ILE B 10 -4.697 2.928 6.903 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.891 3.125 4.811 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.564 5.387 5.980 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -6.006 4.236 3.891 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.373 2.849 4.754 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.685 6.140 3.634 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.005 6.060 4.215 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.639 4.783 3.151 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.574 3.478 5.600 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.333 3.702 6.856 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -6.976 5.111 5.979 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.297 5.286 7.262 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.273 6.139 7.859 1.00 0.00 C ATOM 1751 C GLU B 11 0.022 5.371 8.099 1.00 0.00 C ATOM 1752 O GLU B 11 1.105 5.955 8.134 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.782 6.735 9.174 1.00 0.00 C ATOM 1754 CG GLU B 11 -1.787 8.255 9.184 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.015 8.835 10.353 1.00 0.00 C ATOM 1756 OE1 GLU B 11 0.104 8.352 10.623 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -1.530 9.772 11.000 1.00 0.00 O ATOM 0 H GLU B 11 -3.188 5.289 7.759 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.060 6.946 7.157 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.793 6.374 9.361 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.159 6.375 9.993 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.357 8.622 8.252 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -2.817 8.611 9.222 1.00 0.00 H new ATOM 1764 N SER B 12 -0.100 4.066 8.285 1.00 0.00 N ATOM 1765 CA SER B 12 1.055 3.221 8.548 1.00 0.00 C ATOM 1766 C SER B 12 2.034 3.175 7.368 1.00 0.00 C ATOM 1767 O SER B 12 3.218 3.452 7.537 1.00 0.00 O ATOM 1768 CB SER B 12 0.584 1.808 8.891 1.00 0.00 C ATOM 1769 OG SER B 12 0.829 1.503 10.253 1.00 0.00 O ATOM 0 H SER B 12 -0.990 3.568 8.259 1.00 0.00 H new ATOM 0 HA SER B 12 1.593 3.655 9.391 1.00 0.00 H new ATOM 0 HB2 SER B 12 -0.482 1.716 8.681 1.00 0.00 H new ATOM 0 HB3 SER B 12 1.098 1.086 8.256 1.00 0.00 H new ATOM 0 HG SER B 12 1.792 1.546 10.430 1.00 0.00 H new ATOM 1775 N LEU B 13 1.549 2.794 6.186 1.00 0.00 N ATOM 1776 CA LEU B 13 2.402 2.679 5.007 1.00 0.00 C ATOM 1777 C LEU B 13 2.808 4.030 4.410 1.00 0.00 C ATOM 1778 O LEU B 13 3.854 4.142 3.782 1.00 0.00 O ATOM 1779 CB LEU B 13 1.710 1.820 3.965 1.00 0.00 C ATOM 1780 CG LEU B 13 2.039 0.336 4.062 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.535 0.115 3.929 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.554 -0.255 5.371 1.00 0.00 C ATOM 0 H LEU B 13 0.570 2.560 6.021 1.00 0.00 H new ATOM 0 HA LEU B 13 3.330 2.207 5.329 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.632 1.949 4.062 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.986 2.178 2.973 1.00 0.00 H new ATOM 0 HG LEU B 13 1.523 -0.168 3.245 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.753 -0.951 4.001 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.874 0.491 2.964 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.054 0.646 4.727 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.805 -1.315 5.407 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.034 0.260 6.203 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.473 -0.136 5.446 1.00 0.00 H new ATOM 1794 N ILE B 14 1.995 5.053 4.594 1.00 0.00 N ATOM 1795 CA ILE B 14 2.321 6.366 4.069 1.00 0.00 C ATOM 1796 C ILE B 14 3.525 6.936 4.767 1.00 0.00 C ATOM 1797 O ILE B 14 4.321 7.658 4.179 1.00 0.00 O ATOM 1798 CB ILE B 14 1.197 7.361 4.315 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.152 6.789 3.941 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.468 8.639 3.568 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.251 7.404 4.758 1.00 0.00 C ATOM 0 H ILE B 14 1.110 5.002 5.099 1.00 0.00 H new ATOM 0 HA ILE B 14 2.497 6.227 3.002 1.00 0.00 H new ATOM 0 HB ILE B 14 1.165 7.577 5.383 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.342 6.963 2.882 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.146 5.709 4.090 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.658 9.346 3.750 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.409 9.069 3.912 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.534 8.429 2.500 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.208 6.972 4.465 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.072 7.207 5.815 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.272 8.480 4.588 1.00 0.00 H new ATOM 1813 N ALA B 15 3.599 6.638 6.044 1.00 0.00 N ATOM 1814 CA ALA B 15 4.638 7.146 6.904 1.00 0.00 C ATOM 1815 C ALA B 15 5.970 6.450 6.674 1.00 0.00 C ATOM 1816 O ALA B 15 7.019 7.091 6.689 1.00 0.00 O ATOM 1817 CB ALA B 15 4.150 7.017 8.328 1.00 0.00 C ATOM 0 H ALA B 15 2.931 6.029 6.518 1.00 0.00 H new ATOM 0 HA ALA B 15 4.834 8.194 6.676 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.913 7.393 9.010 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.235 7.596 8.453 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.950 5.969 8.550 1.00 0.00 H new ATOM 1823 N VAL B 16 5.931 5.149 6.423 1.00 0.00 N ATOM 1824 CA VAL B 16 7.143 4.400 6.152 1.00 0.00 C ATOM 1825 C VAL B 16 7.912 5.061 5.018 1.00 0.00 C ATOM 1826 O VAL B 16 9.143 5.072 4.997 1.00 0.00 O ATOM 1827 CB VAL B 16 6.808 2.958 5.734 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.962 2.276 6.783 1.00 0.00 C ATOM 1829 CG2 VAL B 16 6.079 2.957 4.409 1.00 0.00 C ATOM 0 H VAL B 16 5.075 4.595 6.402 1.00 0.00 H new ATOM 0 HA VAL B 16 7.743 4.385 7.062 1.00 0.00 H new ATOM 0 HB VAL B 16 7.743 2.408 5.632 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.738 1.258 6.465 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.505 2.250 7.728 1.00 0.00 H new ATOM 0 HG13 VAL B 16 5.031 2.828 6.915 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.847 1.931 4.122 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.154 3.526 4.502 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.710 3.413 3.646 1.00 0.00 H new ATOM 1839 N PHE B 17 7.154 5.591 4.063 1.00 0.00 N ATOM 1840 CA PHE B 17 7.735 6.238 2.889 1.00 0.00 C ATOM 1841 C PHE B 17 8.194 7.671 3.172 1.00 0.00 C ATOM 1842 O PHE B 17 9.368 7.993 3.000 1.00 0.00 O ATOM 1843 CB PHE B 17 6.703 6.244 1.752 1.00 0.00 C ATOM 1844 CG PHE B 17 6.829 7.409 0.806 1.00 0.00 C ATOM 1845 CD1 PHE B 17 8.039 7.703 0.200 1.00 0.00 C ATOM 1846 CD2 PHE B 17 5.734 8.214 0.533 1.00 0.00 C ATOM 1847 CE1 PHE B 17 8.155 8.776 -0.663 1.00 0.00 C ATOM 1848 CE2 PHE B 17 5.845 9.289 -0.329 1.00 0.00 C ATOM 1849 CZ PHE B 17 7.057 9.570 -0.928 1.00 0.00 C ATOM 0 H PHE B 17 6.134 5.586 4.078 1.00 0.00 H new ATOM 0 HA PHE B 17 8.619 5.667 2.604 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.800 5.318 1.185 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.703 6.249 2.185 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.902 7.087 0.404 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.784 7.999 0.999 1.00 0.00 H new ATOM 0 HE1 PHE B 17 9.104 8.993 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE B 17 4.984 9.909 -0.534 1.00 0.00 H new ATOM 0 HZ PHE B 17 7.146 10.409 -1.602 1.00 0.00 H new ATOM 1859 N GLN B 18 7.260 8.530 3.577 1.00 0.00 N ATOM 1860 CA GLN B 18 7.577 9.934 3.841 1.00 0.00 C ATOM 1861 C GLN B 18 8.499 10.108 5.040 1.00 0.00 C ATOM 1862 O GLN B 18 9.262 11.071 5.098 1.00 0.00 O ATOM 1863 CB GLN B 18 6.308 10.763 4.041 1.00 0.00 C ATOM 1864 CG GLN B 18 5.230 10.055 4.831 1.00 0.00 C ATOM 1865 CD GLN B 18 3.841 10.539 4.479 1.00 0.00 C ATOM 1866 OE1 GLN B 18 3.526 10.522 3.190 1.00 0.00 O flip ATOM 1867 NE2 GLN B 18 3.060 10.921 5.351 1.00 0.00 N flip ATOM 0 H GLN B 18 6.283 8.281 3.729 1.00 0.00 H new ATOM 0 HA GLN B 18 8.104 10.296 2.959 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.569 11.690 4.551 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.908 11.038 3.065 1.00 0.00 H new ATOM 0 HG2 GLN B 18 5.295 8.983 4.648 1.00 0.00 H new ATOM 0 HG3 GLN B 18 5.405 10.207 5.896 1.00 0.00 H new ATOM 0 HE21 GLN B 18 3.347 10.916 6.330 1.00 0.00 H new ATOM 0 HE22 GLN B 18 2.126 11.242 5.094 1.00 0.00 H new ATOM 1876 N LYS B 19 8.439 9.189 5.999 1.00 0.00 N ATOM 1877 CA LYS B 19 9.297 9.290 7.177 1.00 0.00 C ATOM 1878 C LYS B 19 10.747 9.490 6.751 1.00 0.00 C ATOM 1879 O LYS B 19 11.414 10.425 7.194 1.00 0.00 O ATOM 1880 CB LYS B 19 9.171 8.036 8.045 1.00 0.00 C ATOM 1881 CG LYS B 19 10.071 8.047 9.272 1.00 0.00 C ATOM 1882 CD LYS B 19 9.351 8.615 10.485 1.00 0.00 C ATOM 1883 CE LYS B 19 8.313 7.644 11.023 1.00 0.00 C ATOM 1884 NZ LYS B 19 8.945 6.452 11.654 1.00 0.00 N ATOM 0 H LYS B 19 7.818 8.380 5.987 1.00 0.00 H new ATOM 0 HA LYS B 19 8.977 10.150 7.766 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.135 7.930 8.367 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.408 7.161 7.440 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.406 7.033 9.488 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.962 8.640 9.066 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.076 8.843 11.266 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.867 9.554 10.215 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.685 8.152 11.754 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.661 7.322 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 8.238 5.946 12.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.309 5.819 10.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 9.729 6.757 12.265 1.00 0.00 H new ATOM 1898 N TYR B 20 11.211 8.627 5.855 1.00 0.00 N ATOM 1899 CA TYR B 20 12.563 8.726 5.327 1.00 0.00 C ATOM 1900 C TYR B 20 12.612 9.797 4.245 1.00 0.00 C ATOM 1901 O TYR B 20 13.625 10.467 4.046 1.00 0.00 O ATOM 1902 CB TYR B 20 13.020 7.375 4.774 1.00 0.00 C ATOM 1903 CG TYR B 20 14.154 6.757 5.561 1.00 0.00 C ATOM 1904 CD1 TYR B 20 15.345 7.442 5.757 1.00 0.00 C ATOM 1905 CD2 TYR B 20 14.031 5.486 6.108 1.00 0.00 C ATOM 1906 CE1 TYR B 20 16.383 6.881 6.477 1.00 0.00 C ATOM 1907 CE2 TYR B 20 15.063 4.917 6.830 1.00 0.00 C ATOM 1908 CZ TYR B 20 16.237 5.618 7.011 1.00 0.00 C ATOM 1909 OH TYR B 20 17.267 5.054 7.729 1.00 0.00 O ATOM 0 H TYR B 20 10.668 7.850 5.479 1.00 0.00 H new ATOM 0 HA TYR B 20 13.242 9.008 6.132 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.174 6.688 4.769 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.333 7.502 3.738 1.00 0.00 H new ATOM 0 HD1 TYR B 20 15.463 8.431 5.340 1.00 0.00 H new ATOM 0 HD2 TYR B 20 13.114 4.933 5.967 1.00 0.00 H new ATOM 0 HE1 TYR B 20 17.303 7.429 6.620 1.00 0.00 H new ATOM 0 HE2 TYR B 20 14.951 3.929 7.250 1.00 0.00 H new ATOM 0 HH TYR B 20 17.002 4.162 8.036 1.00 0.00 H new ATOM 1919 N ALA B 21 11.489 9.932 3.546 1.00 0.00 N ATOM 1920 CA ALA B 21 11.342 10.893 2.465 1.00 0.00 C ATOM 1921 C ALA B 21 11.271 12.331 2.982 1.00 0.00 C ATOM 1922 O ALA B 21 11.276 13.280 2.196 1.00 0.00 O ATOM 1923 CB ALA B 21 10.097 10.543 1.663 1.00 0.00 C ATOM 0 H ALA B 21 10.653 9.373 3.717 1.00 0.00 H new ATOM 0 HA ALA B 21 12.223 10.836 1.825 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.976 11.257 0.849 1.00 0.00 H new ATOM 0 HB2 ALA B 21 10.199 9.539 1.252 1.00 0.00 H new ATOM 0 HB3 ALA B 21 9.223 10.582 2.313 1.00 0.00 H new ATOM 1929 N GLY B 22 11.206 12.492 4.302 1.00 0.00 N ATOM 1930 CA GLY B 22 11.137 13.820 4.882 1.00 0.00 C ATOM 1931 C GLY B 22 12.508 14.414 5.139 1.00 0.00 C ATOM 1932 O GLY B 22 13.519 13.871 4.691 1.00 0.00 O ATOM 0 H GLY B 22 11.200 11.728 4.977 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.580 14.476 4.213 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.583 13.775 5.819 1.00 0.00 H new ATOM 2006 N VAL B 28 8.127 15.892 -2.472 1.00 0.00 N ATOM 2007 CA VAL B 28 8.050 14.745 -1.578 1.00 0.00 C ATOM 2008 C VAL B 28 9.073 13.670 -1.981 1.00 0.00 C ATOM 2009 O VAL B 28 10.277 13.918 -1.914 1.00 0.00 O ATOM 2010 CB VAL B 28 6.618 14.162 -1.546 1.00 0.00 C ATOM 2011 CG1 VAL B 28 5.714 15.026 -0.680 1.00 0.00 C ATOM 2012 CG2 VAL B 28 6.053 14.043 -2.955 1.00 0.00 C ATOM 0 HA VAL B 28 8.295 15.084 -0.572 1.00 0.00 H new ATOM 0 HB VAL B 28 6.663 13.163 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL B 28 4.710 14.603 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL B 28 6.107 15.059 0.336 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.677 16.036 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL B 28 5.045 13.631 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.021 15.029 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL B 28 6.688 13.384 -3.547 1.00 0.00 H new ATOM 2022 N THR B 29 8.604 12.488 -2.400 1.00 0.00 N ATOM 2023 CA THR B 29 9.491 11.403 -2.806 1.00 0.00 C ATOM 2024 C THR B 29 10.513 11.076 -1.723 1.00 0.00 C ATOM 2025 O THR B 29 10.736 11.858 -0.799 1.00 0.00 O ATOM 2026 CB THR B 29 10.206 11.742 -4.114 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.600 13.103 -4.147 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.360 11.476 -5.343 1.00 0.00 C ATOM 0 H THR B 29 7.611 12.263 -2.465 1.00 0.00 H new ATOM 0 HA THR B 29 8.869 10.522 -2.962 1.00 0.00 H new ATOM 0 HB THR B 29 11.077 11.087 -4.139 1.00 0.00 H new ATOM 0 HG1 THR B 29 10.934 13.368 -3.265 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.925 11.737 -6.237 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.092 10.420 -5.379 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.453 12.079 -5.298 1.00 0.00 H new ATOM 2036 N LEU B 30 11.123 9.906 -1.846 1.00 0.00 N ATOM 2037 CA LEU B 30 12.120 9.457 -0.882 1.00 0.00 C ATOM 2038 C LEU B 30 13.469 9.181 -1.568 1.00 0.00 C ATOM 2039 O LEU B 30 14.101 10.101 -2.084 1.00 0.00 O ATOM 2040 CB LEU B 30 11.605 8.213 -0.138 1.00 0.00 C ATOM 2041 CG LEU B 30 12.290 7.896 1.202 1.00 0.00 C ATOM 2042 CD1 LEU B 30 12.523 6.401 1.338 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.605 8.654 1.348 1.00 0.00 C ATOM 0 H LEU B 30 10.945 9.248 -2.605 1.00 0.00 H new ATOM 0 HA LEU B 30 12.286 10.251 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.538 8.339 0.043 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.717 7.350 -0.794 1.00 0.00 H new ATOM 0 HG LEU B 30 11.625 8.223 2.001 1.00 0.00 H new ATOM 0 HD11 LEU B 30 13.008 6.194 2.292 1.00 0.00 H new ATOM 0 HD12 LEU B 30 11.567 5.879 1.296 1.00 0.00 H new ATOM 0 HD13 LEU B 30 13.161 6.057 0.524 1.00 0.00 H new ATOM 0 HD21 LEU B 30 14.063 8.407 2.306 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.280 8.371 0.540 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.414 9.726 1.303 1.00 0.00 H new ATOM 2055 N SER B 31 13.912 7.920 -1.570 1.00 0.00 N ATOM 2056 CA SER B 31 15.179 7.550 -2.191 1.00 0.00 C ATOM 2057 C SER B 31 15.479 6.076 -1.943 1.00 0.00 C ATOM 2058 O SER B 31 15.406 5.604 -0.808 1.00 0.00 O ATOM 2059 CB SER B 31 16.319 8.414 -1.642 1.00 0.00 C ATOM 2060 OG SER B 31 17.582 7.889 -2.012 1.00 0.00 O ATOM 0 H SER B 31 13.408 7.140 -1.147 1.00 0.00 H new ATOM 0 HA SER B 31 15.097 7.719 -3.265 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.221 9.432 -2.018 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.248 8.467 -0.556 1.00 0.00 H new ATOM 0 HG SER B 31 18.292 8.460 -1.651 1.00 0.00 H new ATOM 2066 N LYS B 32 15.812 5.349 -3.006 1.00 0.00 N ATOM 2067 CA LYS B 32 16.114 3.927 -2.890 1.00 0.00 C ATOM 2068 C LYS B 32 17.164 3.683 -1.808 1.00 0.00 C ATOM 2069 O LYS B 32 17.147 2.655 -1.130 1.00 0.00 O ATOM 2070 CB LYS B 32 16.603 3.372 -4.231 1.00 0.00 C ATOM 2071 CG LYS B 32 17.867 4.043 -4.747 1.00 0.00 C ATOM 2072 CD LYS B 32 17.610 4.808 -6.036 1.00 0.00 C ATOM 2073 CE LYS B 32 17.450 6.299 -5.781 1.00 0.00 C ATOM 2074 NZ LYS B 32 18.351 7.110 -6.646 1.00 0.00 N ATOM 0 H LYS B 32 15.879 5.720 -3.954 1.00 0.00 H new ATOM 0 HA LYS B 32 15.198 3.408 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.787 2.303 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.812 3.488 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS B 32 18.252 4.725 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS B 32 18.636 3.289 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS B 32 18.436 4.643 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS B 32 16.711 4.422 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS B 32 16.415 6.589 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS B 32 17.663 6.513 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 18.212 8.120 -6.442 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 19.340 6.852 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 18.131 6.925 -7.646 1.00 0.00 H new ATOM 2088 N THR B 33 18.067 4.646 -1.647 1.00 0.00 N ATOM 2089 CA THR B 33 19.116 4.555 -0.645 1.00 0.00 C ATOM 2090 C THR B 33 18.511 4.645 0.751 1.00 0.00 C ATOM 2091 O THR B 33 18.802 3.827 1.621 1.00 0.00 O ATOM 2092 CB THR B 33 20.149 5.667 -0.864 1.00 0.00 C ATOM 2093 OG1 THR B 33 21.203 5.212 -1.692 1.00 0.00 O ATOM 2094 CG2 THR B 33 20.765 6.186 0.416 1.00 0.00 C ATOM 0 H THR B 33 18.090 5.501 -2.202 1.00 0.00 H new ATOM 0 HA THR B 33 19.621 3.594 -0.740 1.00 0.00 H new ATOM 0 HB THR B 33 19.595 6.481 -1.332 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.852 5.935 -1.822 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.485 6.970 0.181 1.00 0.00 H new ATOM 0 HG22 THR B 33 19.983 6.592 1.058 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.271 5.371 0.933 1.00 0.00 H new ATOM 2102 N GLU B 34 17.652 5.636 0.960 1.00 0.00 N ATOM 2103 CA GLU B 34 17.001 5.798 2.250 1.00 0.00 C ATOM 2104 C GLU B 34 16.140 4.577 2.539 1.00 0.00 C ATOM 2105 O GLU B 34 15.941 4.197 3.693 1.00 0.00 O ATOM 2106 CB GLU B 34 16.157 7.069 2.269 1.00 0.00 C ATOM 2107 CG GLU B 34 16.879 8.249 2.894 1.00 0.00 C ATOM 2108 CD GLU B 34 17.390 9.234 1.861 1.00 0.00 C ATOM 2109 OE1 GLU B 34 18.376 8.907 1.167 1.00 0.00 O ATOM 2110 OE2 GLU B 34 16.805 10.331 1.746 1.00 0.00 O ATOM 0 H GLU B 34 17.394 6.331 0.260 1.00 0.00 H new ATOM 0 HA GLU B 34 17.761 5.890 3.026 1.00 0.00 H new ATOM 0 HB2 GLU B 34 15.870 7.324 1.249 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.236 6.879 2.821 1.00 0.00 H new ATOM 0 HG2 GLU B 34 16.203 8.763 3.578 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.717 7.884 3.488 1.00 0.00 H new ATOM 2117 N PHE B 35 15.661 3.953 1.470 1.00 0.00 N ATOM 2118 CA PHE B 35 14.848 2.752 1.578 1.00 0.00 C ATOM 2119 C PHE B 35 15.719 1.587 2.029 1.00 0.00 C ATOM 2120 O PHE B 35 15.268 0.698 2.753 1.00 0.00 O ATOM 2121 CB PHE B 35 14.206 2.432 0.225 1.00 0.00 C ATOM 2122 CG PHE B 35 12.837 1.818 0.320 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.485 1.012 1.392 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.901 2.047 -0.675 1.00 0.00 C ATOM 2125 CE1 PHE B 35 11.225 0.447 1.468 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.643 1.486 -0.605 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.303 0.684 0.467 1.00 0.00 C ATOM 0 H PHE B 35 15.824 4.263 0.512 1.00 0.00 H new ATOM 0 HA PHE B 35 14.059 2.916 2.312 1.00 0.00 H new ATOM 0 HB2 PHE B 35 14.140 3.350 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.859 1.752 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE B 35 13.203 0.823 2.176 1.00 0.00 H new ATOM 0 HD2 PHE B 35 12.160 2.673 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE B 35 10.962 -0.178 2.308 1.00 0.00 H new ATOM 0 HE2 PHE B 35 9.924 1.674 -1.388 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.319 0.243 0.522 1.00 0.00 H new ATOM 2137 N LEU B 36 16.978 1.603 1.597 1.00 0.00 N ATOM 2138 CA LEU B 36 17.923 0.554 1.953 1.00 0.00 C ATOM 2139 C LEU B 36 18.083 0.452 3.449 1.00 0.00 C ATOM 2140 O LEU B 36 17.839 -0.594 4.051 1.00 0.00 O ATOM 2141 CB LEU B 36 19.288 0.874 1.364 1.00 0.00 C ATOM 2142 CG LEU B 36 19.593 0.187 0.053 1.00 0.00 C ATOM 2143 CD1 LEU B 36 20.034 1.211 -0.974 1.00 0.00 C ATOM 2144 CD2 LEU B 36 20.651 -0.885 0.254 1.00 0.00 C ATOM 0 H LEU B 36 17.365 2.333 0.999 1.00 0.00 H new ATOM 0 HA LEU B 36 17.537 -0.387 1.560 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.361 1.952 1.218 1.00 0.00 H new ATOM 0 HB3 LEU B 36 20.054 0.598 2.089 1.00 0.00 H new ATOM 0 HG LEU B 36 18.691 -0.301 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU B 36 20.252 0.710 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU B 36 19.238 1.940 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU B 36 20.929 1.721 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU B 36 20.861 -1.372 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU B 36 21.564 -0.428 0.637 1.00 0.00 H new ATOM 0 HD23 LEU B 36 20.288 -1.625 0.968 1.00 0.00 H new ATOM 2156 N SER B 37 18.520 1.548 4.037 1.00 0.00 N ATOM 2157 CA SER B 37 18.747 1.590 5.466 1.00 0.00 C ATOM 2158 C SER B 37 17.464 1.286 6.235 1.00 0.00 C ATOM 2159 O SER B 37 17.498 0.674 7.302 1.00 0.00 O ATOM 2160 CB SER B 37 19.305 2.952 5.885 1.00 0.00 C ATOM 2161 OG SER B 37 20.660 3.092 5.494 1.00 0.00 O ATOM 0 H SER B 37 18.724 2.419 3.548 1.00 0.00 H new ATOM 0 HA SER B 37 19.481 0.822 5.709 1.00 0.00 H new ATOM 0 HB2 SER B 37 18.710 3.746 5.435 1.00 0.00 H new ATOM 0 HB3 SER B 37 19.222 3.065 6.966 1.00 0.00 H new ATOM 0 HG SER B 37 20.992 3.971 5.772 1.00 0.00 H new ATOM 2167 N PHE B 38 16.333 1.713 5.681 1.00 0.00 N ATOM 2168 CA PHE B 38 15.037 1.484 6.311 1.00 0.00 C ATOM 2169 C PHE B 38 14.775 -0.009 6.472 1.00 0.00 C ATOM 2170 O PHE B 38 14.513 -0.487 7.575 1.00 0.00 O ATOM 2171 CB PHE B 38 13.924 2.122 5.478 1.00 0.00 C ATOM 2172 CG PHE B 38 12.572 2.063 6.128 1.00 0.00 C ATOM 2173 CD1 PHE B 38 12.243 2.934 7.154 1.00 0.00 C ATOM 2174 CD2 PHE B 38 11.629 1.136 5.714 1.00 0.00 C ATOM 2175 CE1 PHE B 38 10.999 2.884 7.754 1.00 0.00 C ATOM 2176 CE2 PHE B 38 10.383 1.080 6.310 1.00 0.00 C ATOM 2177 CZ PHE B 38 10.068 1.955 7.332 1.00 0.00 C ATOM 0 H PHE B 38 16.288 2.220 4.797 1.00 0.00 H new ATOM 0 HA PHE B 38 15.050 1.944 7.299 1.00 0.00 H new ATOM 0 HB2 PHE B 38 14.179 3.164 5.285 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.874 1.622 4.511 1.00 0.00 H new ATOM 0 HD1 PHE B 38 12.968 3.661 7.489 1.00 0.00 H new ATOM 0 HD2 PHE B 38 11.870 0.449 4.916 1.00 0.00 H new ATOM 0 HE1 PHE B 38 10.755 3.570 8.552 1.00 0.00 H new ATOM 0 HE2 PHE B 38 9.657 0.353 5.977 1.00 0.00 H new ATOM 0 HZ PHE B 38 9.096 1.913 7.800 1.00 0.00 H new ATOM 2187 N MET B 39 14.854 -0.741 5.365 1.00 0.00 N ATOM 2188 CA MET B 39 14.631 -2.182 5.389 1.00 0.00 C ATOM 2189 C MET B 39 15.615 -2.860 6.334 1.00 0.00 C ATOM 2190 O MET B 39 15.318 -3.899 6.918 1.00 0.00 O ATOM 2191 CB MET B 39 14.767 -2.768 3.983 1.00 0.00 C ATOM 2192 CG MET B 39 14.156 -4.153 3.844 1.00 0.00 C ATOM 2193 SD MET B 39 12.890 -4.233 2.564 1.00 0.00 S ATOM 2194 CE MET B 39 11.439 -3.753 3.497 1.00 0.00 C ATOM 0 H MET B 39 15.070 -0.361 4.443 1.00 0.00 H new ATOM 0 HA MET B 39 13.618 -2.364 5.749 1.00 0.00 H new ATOM 0 HB2 MET B 39 14.290 -2.096 3.270 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.823 -2.817 3.718 1.00 0.00 H new ATOM 0 HG2 MET B 39 14.943 -4.871 3.615 1.00 0.00 H new ATOM 0 HG3 MET B 39 13.721 -4.450 4.798 1.00 0.00 H new ATOM 0 HE1 MET B 39 10.733 -3.249 2.837 1.00 0.00 H new ATOM 0 HE2 MET B 39 10.969 -4.640 3.921 1.00 0.00 H new ATOM 0 HE3 MET B 39 11.731 -3.077 4.301 1.00 0.00 H new ATOM 2204 N ASN B 40 16.786 -2.257 6.486 1.00 0.00 N ATOM 2205 CA ASN B 40 17.810 -2.793 7.370 1.00 0.00 C ATOM 2206 C ASN B 40 17.440 -2.561 8.832 1.00 0.00 C ATOM 2207 O ASN B 40 17.976 -3.214 9.729 1.00 0.00 O ATOM 2208 CB ASN B 40 19.163 -2.150 7.066 1.00 0.00 C ATOM 2209 CG ASN B 40 19.894 -2.848 5.935 1.00 0.00 C ATOM 2210 OD1 ASN B 40 20.761 -3.690 6.168 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.548 -2.498 4.702 1.00 0.00 N ATOM 0 H ASN B 40 17.050 -1.396 6.008 1.00 0.00 H new ATOM 0 HA ASN B 40 17.880 -3.867 7.197 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.014 -1.102 6.806 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.782 -2.171 7.963 1.00 0.00 H new ATOM 0 HD21 ASN B 40 20.007 -2.932 3.901 1.00 0.00 H new ATOM 0 HD22 ASN B 40 18.824 -1.795 4.556 1.00 0.00 H new ATOM 2218 N THR B 41 16.539 -1.609 9.068 1.00 0.00 N ATOM 2219 CA THR B 41 16.123 -1.270 10.423 1.00 0.00 C ATOM 2220 C THR B 41 14.619 -1.453 10.630 1.00 0.00 C ATOM 2221 O THR B 41 14.172 -2.453 11.194 1.00 0.00 O ATOM 2222 CB THR B 41 16.508 0.177 10.726 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.422 0.972 9.557 1.00 0.00 O ATOM 2224 CG2 THR B 41 17.908 0.321 11.272 1.00 0.00 C ATOM 0 H THR B 41 16.085 -1.061 8.338 1.00 0.00 H new ATOM 0 HA THR B 41 16.633 -1.950 11.105 1.00 0.00 H new ATOM 0 HB THR B 41 15.802 0.511 11.486 1.00 0.00 H new ATOM 0 HG1 THR B 41 17.175 0.765 8.965 1.00 0.00 H new ATOM 0 HG21 THR B 41 18.117 1.373 11.465 1.00 0.00 H new ATOM 0 HG22 THR B 41 17.996 -0.243 12.201 1.00 0.00 H new ATOM 0 HG23 THR B 41 18.623 -0.063 10.545 1.00 0.00 H new ATOM 2232 N GLU B 42 13.848 -0.461 10.196 1.00 0.00 N ATOM 2233 CA GLU B 42 12.395 -0.477 10.354 1.00 0.00 C ATOM 2234 C GLU B 42 11.755 -1.726 9.750 1.00 0.00 C ATOM 2235 O GLU B 42 10.663 -2.124 10.154 1.00 0.00 O ATOM 2236 CB GLU B 42 11.790 0.776 9.721 1.00 0.00 C ATOM 2237 CG GLU B 42 12.282 2.071 10.349 1.00 0.00 C ATOM 2238 CD GLU B 42 11.169 2.862 11.009 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.006 2.732 10.569 1.00 0.00 O ATOM 2240 OE2 GLU B 42 11.458 3.611 11.965 1.00 0.00 O ATOM 0 H GLU B 42 14.208 0.371 9.728 1.00 0.00 H new ATOM 0 HA GLU B 42 12.186 -0.492 11.424 1.00 0.00 H new ATOM 0 HB2 GLU B 42 12.025 0.785 8.657 1.00 0.00 H new ATOM 0 HB3 GLU B 42 10.704 0.729 9.807 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.048 1.842 11.090 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.753 2.686 9.582 1.00 0.00 H new ATOM 2247 N LEU B 43 12.428 -2.338 8.786 1.00 0.00 N ATOM 2248 CA LEU B 43 11.906 -3.533 8.139 1.00 0.00 C ATOM 2249 C LEU B 43 12.993 -4.590 7.998 1.00 0.00 C ATOM 2250 O LEU B 43 13.185 -5.165 6.927 1.00 0.00 O ATOM 2251 CB LEU B 43 11.325 -3.176 6.769 1.00 0.00 C ATOM 2252 CG LEU B 43 9.837 -2.832 6.778 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.354 -2.506 5.374 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.036 -3.978 7.372 1.00 0.00 C ATOM 0 H LEU B 43 13.334 -2.028 8.435 1.00 0.00 H new ATOM 0 HA LEU B 43 11.112 -3.946 8.762 1.00 0.00 H new ATOM 0 HB2 LEU B 43 11.878 -2.328 6.365 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.486 -4.014 6.091 1.00 0.00 H new ATOM 0 HG LEU B 43 9.688 -1.949 7.399 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.292 -2.264 5.402 1.00 0.00 H new ATOM 0 HD12 LEU B 43 9.911 -1.653 4.987 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.513 -3.368 4.725 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.977 -3.720 7.373 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.190 -4.877 6.775 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.365 -4.160 8.395 1.00 0.00 H new ATOM 2266 N ALA B 44 13.698 -4.845 9.094 1.00 0.00 N ATOM 2267 CA ALA B 44 14.763 -5.837 9.103 1.00 0.00 C ATOM 2268 C ALA B 44 14.179 -7.242 9.045 1.00 0.00 C ATOM 2269 O ALA B 44 14.806 -8.168 8.532 1.00 0.00 O ATOM 2270 CB ALA B 44 15.628 -5.664 10.341 1.00 0.00 C ATOM 0 H ALA B 44 13.550 -4.377 9.988 1.00 0.00 H new ATOM 0 HA ALA B 44 15.388 -5.691 8.222 1.00 0.00 H new ATOM 0 HB1 ALA B 44 16.422 -6.411 10.338 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.068 -4.667 10.341 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.015 -5.790 11.234 1.00 0.00 H new ATOM 2276 N ALA B 45 12.964 -7.383 9.562 1.00 0.00 N ATOM 2277 CA ALA B 45 12.275 -8.663 9.562 1.00 0.00 C ATOM 2278 C ALA B 45 12.102 -9.183 8.138 1.00 0.00 C ATOM 2279 O ALA B 45 11.974 -10.386 7.914 1.00 0.00 O ATOM 2280 CB ALA B 45 10.926 -8.521 10.249 1.00 0.00 C ATOM 0 H ALA B 45 12.436 -6.621 9.988 1.00 0.00 H new ATOM 0 HA ALA B 45 12.877 -9.386 10.112 1.00 0.00 H new ATOM 0 HB1 ALA B 45 10.413 -9.483 10.246 1.00 0.00 H new ATOM 0 HB2 ALA B 45 11.074 -8.192 11.277 1.00 0.00 H new ATOM 0 HB3 ALA B 45 10.322 -7.787 9.716 1.00 0.00 H new ATOM 2286 N PHE B 46 12.101 -8.261 7.177 1.00 0.00 N ATOM 2287 CA PHE B 46 11.948 -8.617 5.772 1.00 0.00 C ATOM 2288 C PHE B 46 13.292 -8.581 5.053 1.00 0.00 C ATOM 2289 O PHE B 46 13.357 -8.364 3.843 1.00 0.00 O ATOM 2290 CB PHE B 46 10.955 -7.668 5.095 1.00 0.00 C ATOM 2291 CG PHE B 46 9.531 -7.938 5.484 1.00 0.00 C ATOM 2292 CD1 PHE B 46 8.817 -8.953 4.874 1.00 0.00 C ATOM 2293 CD2 PHE B 46 8.910 -7.183 6.466 1.00 0.00 C ATOM 2294 CE1 PHE B 46 7.508 -9.213 5.231 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.602 -7.437 6.830 1.00 0.00 C ATOM 2296 CZ PHE B 46 6.899 -8.454 6.212 1.00 0.00 C ATOM 0 H PHE B 46 12.205 -7.261 7.348 1.00 0.00 H new ATOM 0 HA PHE B 46 11.561 -9.634 5.714 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.208 -6.640 5.354 1.00 0.00 H new ATOM 0 HB3 PHE B 46 11.054 -7.758 4.013 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.289 -9.551 4.108 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.455 -6.387 6.952 1.00 0.00 H new ATOM 0 HE1 PHE B 46 6.962 -10.008 4.744 1.00 0.00 H new ATOM 0 HE2 PHE B 46 7.129 -6.841 7.597 1.00 0.00 H new ATOM 0 HZ PHE B 46 5.876 -8.655 6.495 1.00 0.00 H new ATOM 2306 N THR B 47 14.366 -8.796 5.810 1.00 0.00 N ATOM 2307 CA THR B 47 15.714 -8.793 5.254 1.00 0.00 C ATOM 2308 C THR B 47 16.750 -9.050 6.345 1.00 0.00 C ATOM 2309 O THR B 47 17.829 -8.456 6.342 1.00 0.00 O ATOM 2310 CB THR B 47 16.003 -7.458 4.565 1.00 0.00 C ATOM 2311 OG1 THR B 47 17.343 -7.409 4.108 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.779 -6.261 5.463 1.00 0.00 C ATOM 0 H THR B 47 14.327 -8.975 6.813 1.00 0.00 H new ATOM 0 HA THR B 47 15.779 -9.594 4.517 1.00 0.00 H new ATOM 0 HB THR B 47 15.301 -7.404 3.733 1.00 0.00 H new ATOM 0 HG1 THR B 47 17.952 -7.486 4.872 1.00 0.00 H new ATOM 0 HG21 THR B 47 16.002 -5.347 4.913 1.00 0.00 H new ATOM 0 HG22 THR B 47 14.740 -6.242 5.792 1.00 0.00 H new ATOM 0 HG23 THR B 47 16.434 -6.330 6.332 1.00 0.00 H new ATOM 2428 N VAL B 55 13.337 -10.301 -3.188 1.00 0.00 N ATOM 2429 CA VAL B 55 12.098 -9.590 -2.880 1.00 0.00 C ATOM 2430 C VAL B 55 12.344 -8.089 -2.749 1.00 0.00 C ATOM 2431 O VAL B 55 11.681 -7.280 -3.398 1.00 0.00 O ATOM 2432 CB VAL B 55 11.466 -10.117 -1.575 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.219 -9.321 -1.218 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.141 -11.598 -1.699 1.00 0.00 C ATOM 0 HA VAL B 55 11.411 -9.768 -3.707 1.00 0.00 H new ATOM 0 HB VAL B 55 12.190 -9.991 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL B 55 9.791 -9.711 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.483 -8.272 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.488 -9.409 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL B 55 10.696 -11.952 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL B 55 10.438 -11.749 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL B 55 12.056 -12.156 -1.899 1.00 0.00 H new ATOM 2444 N LEU B 56 13.297 -7.726 -1.898 1.00 0.00 N ATOM 2445 CA LEU B 56 13.634 -6.339 -1.668 1.00 0.00 C ATOM 2446 C LEU B 56 14.292 -5.714 -2.894 1.00 0.00 C ATOM 2447 O LEU B 56 13.879 -4.655 -3.367 1.00 0.00 O ATOM 2448 CB LEU B 56 14.597 -6.266 -0.484 1.00 0.00 C ATOM 2449 CG LEU B 56 15.150 -4.882 -0.191 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.693 -4.817 1.223 1.00 0.00 C ATOM 2451 CD2 LEU B 56 16.234 -4.502 -1.191 1.00 0.00 C ATOM 0 H LEU B 56 13.852 -8.387 -1.354 1.00 0.00 H new ATOM 0 HA LEU B 56 12.719 -5.785 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.084 -6.632 0.405 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.431 -6.942 -0.671 1.00 0.00 H new ATOM 0 HG LEU B 56 14.334 -4.166 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.085 -3.819 1.417 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.893 -5.036 1.930 1.00 0.00 H new ATOM 0 HD13 LEU B 56 16.492 -5.550 1.340 1.00 0.00 H new ATOM 0 HD21 LEU B 56 16.612 -3.507 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.050 -5.222 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU B 56 15.817 -4.505 -2.198 1.00 0.00 H new ATOM 2463 N ASP B 57 15.332 -6.372 -3.385 1.00 0.00 N ATOM 2464 CA ASP B 57 16.082 -5.888 -4.539 1.00 0.00 C ATOM 2465 C ASP B 57 15.195 -5.713 -5.770 1.00 0.00 C ATOM 2466 O ASP B 57 15.433 -4.824 -6.588 1.00 0.00 O ATOM 2467 CB ASP B 57 17.228 -6.852 -4.857 1.00 0.00 C ATOM 2468 CG ASP B 57 18.547 -6.397 -4.263 1.00 0.00 C ATOM 2469 OD1 ASP B 57 18.745 -6.588 -3.044 1.00 0.00 O ATOM 2470 OD2 ASP B 57 19.381 -5.851 -5.015 1.00 0.00 O ATOM 0 H ASP B 57 15.679 -7.250 -2.999 1.00 0.00 H new ATOM 0 HA ASP B 57 16.483 -4.908 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP B 57 16.983 -7.843 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP B 57 17.332 -6.945 -5.938 1.00 0.00 H new ATOM 2475 N ARG B 58 14.187 -6.565 -5.913 1.00 0.00 N ATOM 2476 CA ARG B 58 13.295 -6.493 -7.065 1.00 0.00 C ATOM 2477 C ARG B 58 12.606 -5.134 -7.155 1.00 0.00 C ATOM 2478 O ARG B 58 12.668 -4.467 -8.186 1.00 0.00 O ATOM 2479 CB ARG B 58 12.242 -7.600 -6.988 1.00 0.00 C ATOM 2480 CG ARG B 58 11.882 -8.187 -8.341 1.00 0.00 C ATOM 2481 CD ARG B 58 12.320 -9.639 -8.457 1.00 0.00 C ATOM 2482 NE ARG B 58 11.344 -10.449 -9.181 1.00 0.00 N ATOM 2483 CZ ARG B 58 11.046 -10.280 -10.467 1.00 0.00 C ATOM 2484 NH1 ARG B 58 11.648 -9.332 -11.176 1.00 0.00 N ATOM 2485 NH2 ARG B 58 10.145 -11.061 -11.048 1.00 0.00 N ATOM 0 H ARG B 58 13.967 -7.309 -5.251 1.00 0.00 H new ATOM 0 HA ARG B 58 13.901 -6.628 -7.961 1.00 0.00 H new ATOM 0 HB2 ARG B 58 12.610 -8.397 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG B 58 11.341 -7.202 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG B 58 10.805 -8.118 -8.493 1.00 0.00 H new ATOM 0 HG3 ARG B 58 12.353 -7.600 -9.130 1.00 0.00 H new ATOM 0 HD2 ARG B 58 13.282 -9.688 -8.968 1.00 0.00 H new ATOM 0 HD3 ARG B 58 12.467 -10.054 -7.460 1.00 0.00 H new ATOM 0 HE ARG B 58 10.862 -11.189 -8.670 1.00 0.00 H new ATOM 0 HH11 ARG B 58 12.343 -8.729 -10.735 1.00 0.00 H new ATOM 0 HH12 ARG B 58 11.416 -9.207 -12.161 1.00 0.00 H new ATOM 0 HH21 ARG B 58 9.680 -11.792 -10.509 1.00 0.00 H new ATOM 0 HH22 ARG B 58 9.917 -10.931 -12.034 1.00 0.00 H new ATOM 2498 N MET B 59 11.946 -4.728 -6.080 1.00 0.00 N ATOM 2499 CA MET B 59 11.249 -3.448 -6.065 1.00 0.00 C ATOM 2500 C MET B 59 12.207 -2.279 -5.905 1.00 0.00 C ATOM 2501 O MET B 59 12.050 -1.251 -6.556 1.00 0.00 O ATOM 2502 CB MET B 59 10.189 -3.416 -4.967 1.00 0.00 C ATOM 2503 CG MET B 59 8.778 -3.590 -5.518 1.00 0.00 C ATOM 2504 SD MET B 59 8.239 -5.305 -5.508 1.00 0.00 S ATOM 2505 CE MET B 59 8.759 -5.759 -3.865 1.00 0.00 C ATOM 0 H MET B 59 11.878 -5.261 -5.213 1.00 0.00 H new ATOM 0 HA MET B 59 10.757 -3.343 -7.032 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.394 -4.206 -4.244 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.253 -2.469 -4.431 1.00 0.00 H new ATOM 0 HG2 MET B 59 8.085 -2.992 -4.927 1.00 0.00 H new ATOM 0 HG3 MET B 59 8.740 -3.207 -6.538 1.00 0.00 H new ATOM 0 HE1 MET B 59 8.294 -6.704 -3.584 1.00 0.00 H new ATOM 0 HE2 MET B 59 9.843 -5.868 -3.844 1.00 0.00 H new ATOM 0 HE3 MET B 59 8.458 -4.983 -3.161 1.00 0.00 H new ATOM 2515 N MET B 60 13.180 -2.429 -5.016 1.00 0.00 N ATOM 2516 CA MET B 60 14.142 -1.363 -4.754 1.00 0.00 C ATOM 2517 C MET B 60 15.150 -1.191 -5.893 1.00 0.00 C ATOM 2518 O MET B 60 15.311 -0.090 -6.420 1.00 0.00 O ATOM 2519 CB MET B 60 14.868 -1.617 -3.433 1.00 0.00 C ATOM 2520 CG MET B 60 14.349 -0.757 -2.289 1.00 0.00 C ATOM 2521 SD MET B 60 13.683 -1.728 -0.923 1.00 0.00 S ATOM 2522 CE MET B 60 12.300 -2.537 -1.722 1.00 0.00 C ATOM 0 H MET B 60 13.325 -3.275 -4.465 1.00 0.00 H new ATOM 0 HA MET B 60 13.579 -0.432 -4.683 1.00 0.00 H new ATOM 0 HB2 MET B 60 14.764 -2.668 -3.165 1.00 0.00 H new ATOM 0 HB3 MET B 60 15.933 -1.426 -3.568 1.00 0.00 H new ATOM 0 HG2 MET B 60 15.158 -0.127 -1.919 1.00 0.00 H new ATOM 0 HG3 MET B 60 13.573 -0.091 -2.666 1.00 0.00 H new ATOM 0 HE1 MET B 60 12.243 -3.574 -1.390 1.00 0.00 H new ATOM 0 HE2 MET B 60 11.376 -2.021 -1.460 1.00 0.00 H new ATOM 0 HE3 MET B 60 12.437 -2.509 -2.803 1.00 0.00 H new ATOM 2670 N GLN B 70 13.821 10.643 -8.322 1.00 0.00 N ATOM 2671 CA GLN B 70 13.465 10.455 -6.922 1.00 0.00 C ATOM 2672 C GLN B 70 12.508 9.277 -6.748 1.00 0.00 C ATOM 2673 O GLN B 70 11.938 8.781 -7.720 1.00 0.00 O ATOM 2674 CB GLN B 70 12.829 11.734 -6.372 1.00 0.00 C ATOM 2675 CG GLN B 70 13.778 12.574 -5.536 1.00 0.00 C ATOM 2676 CD GLN B 70 14.126 11.914 -4.219 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.127 11.041 -4.240 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 13.502 12.186 -3.193 1.00 0.00 N flip ATOM 0 HA GLN B 70 14.376 10.234 -6.365 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.463 12.335 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN B 70 11.963 11.468 -5.766 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.692 12.755 -6.101 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.324 13.546 -5.343 1.00 0.00 H new ATOM 0 HE21 GLN B 70 12.740 12.863 -3.224 1.00 0.00 H new ATOM 0 HE22 GLN B 70 13.747 11.734 -2.312 1.00 0.00 H new ATOM 2687 N LEU B 71 12.337 8.834 -5.503 1.00 0.00 N ATOM 2688 CA LEU B 71 11.449 7.717 -5.203 1.00 0.00 C ATOM 2689 C LEU B 71 9.996 8.107 -5.525 1.00 0.00 C ATOM 2690 O LEU B 71 9.736 8.610 -6.618 1.00 0.00 O ATOM 2691 CB LEU B 71 11.646 7.276 -3.741 1.00 0.00 C ATOM 2692 CG LEU B 71 12.350 5.924 -3.545 1.00 0.00 C ATOM 2693 CD1 LEU B 71 11.347 4.785 -3.603 1.00 0.00 C ATOM 2694 CD2 LEU B 71 13.452 5.719 -4.577 1.00 0.00 C ATOM 0 H LEU B 71 12.802 9.233 -4.688 1.00 0.00 H new ATOM 0 HA LEU B 71 11.692 6.858 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU B 71 12.221 8.043 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.669 7.230 -3.259 1.00 0.00 H new ATOM 0 HG LEU B 71 12.813 5.930 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.865 3.836 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.605 4.913 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.850 4.787 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.931 4.754 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU B 71 13.022 5.744 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU B 71 14.193 6.513 -4.481 1.00 0.00 H new ATOM 2706 N ASP B 72 9.042 7.894 -4.607 1.00 0.00 N ATOM 2707 CA ASP B 72 7.649 8.260 -4.891 1.00 0.00 C ATOM 2708 C ASP B 72 6.700 7.835 -3.773 1.00 0.00 C ATOM 2709 O ASP B 72 7.126 7.362 -2.720 1.00 0.00 O ATOM 2710 CB ASP B 72 7.186 7.643 -6.215 1.00 0.00 C ATOM 2711 CG ASP B 72 6.458 8.642 -7.092 1.00 0.00 C ATOM 2712 OD1 ASP B 72 5.962 9.655 -6.555 1.00 0.00 O ATOM 2713 OD2 ASP B 72 6.383 8.412 -8.318 1.00 0.00 O ATOM 0 H ASP B 72 9.202 7.482 -3.688 1.00 0.00 H new ATOM 0 HA ASP B 72 7.620 9.347 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP B 72 8.050 7.252 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP B 72 6.530 6.797 -6.009 1.00 0.00 H new ATOM 2718 N PHE B 73 5.405 8.026 -4.022 1.00 0.00 N ATOM 2719 CA PHE B 73 4.370 7.686 -3.051 1.00 0.00 C ATOM 2720 C PHE B 73 3.994 6.205 -3.106 1.00 0.00 C ATOM 2721 O PHE B 73 4.083 5.506 -2.097 1.00 0.00 O ATOM 2722 CB PHE B 73 3.130 8.553 -3.274 1.00 0.00 C ATOM 2723 CG PHE B 73 2.440 8.298 -4.582 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.889 8.897 -5.748 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.346 7.452 -4.646 1.00 0.00 C ATOM 2726 CE1 PHE B 73 2.257 8.659 -6.955 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.712 7.208 -5.851 1.00 0.00 C ATOM 2728 CZ PHE B 73 1.168 7.813 -7.006 1.00 0.00 C ATOM 0 H PHE B 73 5.048 8.417 -4.894 1.00 0.00 H new ATOM 0 HA PHE B 73 4.777 7.884 -2.059 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.425 8.378 -2.462 1.00 0.00 H new ATOM 0 HB3 PHE B 73 3.419 9.603 -3.225 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.743 9.558 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.984 6.978 -3.746 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.615 9.134 -7.856 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.139 6.545 -5.889 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.673 7.624 -7.947 1.00 0.00 H new ATOM 2738 N GLN B 74 3.571 5.721 -4.275 1.00 0.00 N ATOM 2739 CA GLN B 74 3.192 4.319 -4.404 1.00 0.00 C ATOM 2740 C GLN B 74 4.424 3.446 -4.512 1.00 0.00 C ATOM 2741 O GLN B 74 4.414 2.303 -4.069 1.00 0.00 O ATOM 2742 CB GLN B 74 2.280 4.075 -5.609 1.00 0.00 C ATOM 2743 CG GLN B 74 1.906 2.605 -5.797 1.00 0.00 C ATOM 2744 CD GLN B 74 1.498 1.923 -4.496 1.00 0.00 C ATOM 2745 OE1 GLN B 74 1.989 0.700 -4.273 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 0.749 2.489 -3.700 1.00 0.00 N flip ATOM 0 H GLN B 74 3.484 6.270 -5.130 1.00 0.00 H new ATOM 0 HA GLN B 74 2.634 4.056 -3.505 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.369 4.662 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.777 4.434 -6.510 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.086 2.533 -6.511 1.00 0.00 H new ATOM 0 HG3 GLN B 74 2.753 2.073 -6.230 1.00 0.00 H new ATOM 0 HE21 GLN B 74 0.396 3.423 -3.908 1.00 0.00 H new ATOM 0 HE22 GLN B 74 0.482 2.024 -2.832 1.00 0.00 H new ATOM 2755 N GLU B 75 5.495 3.988 -5.092 1.00 0.00 N ATOM 2756 CA GLU B 75 6.732 3.238 -5.228 1.00 0.00 C ATOM 2757 C GLU B 75 7.038 2.525 -3.927 1.00 0.00 C ATOM 2758 O GLU B 75 7.307 1.336 -3.914 1.00 0.00 O ATOM 2759 CB GLU B 75 7.884 4.163 -5.615 1.00 0.00 C ATOM 2760 CG GLU B 75 8.426 3.883 -7.004 1.00 0.00 C ATOM 2761 CD GLU B 75 8.448 5.115 -7.887 1.00 0.00 C ATOM 2762 OE1 GLU B 75 9.418 5.896 -7.794 1.00 0.00 O ATOM 2763 OE2 GLU B 75 7.496 5.299 -8.673 1.00 0.00 O ATOM 0 H GLU B 75 5.526 4.935 -5.470 1.00 0.00 H new ATOM 0 HA GLU B 75 6.613 2.500 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.545 5.198 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.689 4.056 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU B 75 9.437 3.484 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU B 75 7.817 3.113 -7.478 1.00 0.00 H new ATOM 2770 N PHE B 76 6.957 3.246 -2.825 1.00 0.00 N ATOM 2771 CA PHE B 76 7.205 2.641 -1.533 1.00 0.00 C ATOM 2772 C PHE B 76 6.139 1.598 -1.224 1.00 0.00 C ATOM 2773 O PHE B 76 6.455 0.450 -0.917 1.00 0.00 O ATOM 2774 CB PHE B 76 7.234 3.703 -0.439 1.00 0.00 C ATOM 2775 CG PHE B 76 8.191 3.391 0.677 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.907 2.386 1.588 1.00 0.00 C ATOM 2777 CD2 PHE B 76 9.371 4.103 0.816 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.784 2.098 2.618 1.00 0.00 C ATOM 2779 CE2 PHE B 76 10.251 3.820 1.842 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.957 2.817 2.745 1.00 0.00 C ATOM 0 H PHE B 76 6.724 4.239 -2.798 1.00 0.00 H new ATOM 0 HA PHE B 76 8.178 2.151 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.505 4.661 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE B 76 6.231 3.815 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.991 1.822 1.493 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.606 4.889 0.113 1.00 0.00 H new ATOM 0 HE1 PHE B 76 8.552 1.312 3.322 1.00 0.00 H new ATOM 0 HE2 PHE B 76 11.168 4.382 1.938 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.643 2.595 3.549 1.00 0.00 H new ATOM 2790 N LEU B 77 4.872 1.997 -1.319 1.00 0.00 N ATOM 2791 CA LEU B 77 3.767 1.083 -1.060 1.00 0.00 C ATOM 2792 C LEU B 77 3.915 -0.174 -1.910 1.00 0.00 C ATOM 2793 O LEU B 77 3.665 -1.284 -1.446 1.00 0.00 O ATOM 2794 CB LEU B 77 2.431 1.773 -1.342 1.00 0.00 C ATOM 2795 CG LEU B 77 1.794 2.443 -0.126 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.780 3.492 -0.555 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.147 1.397 0.764 1.00 0.00 C ATOM 0 H LEU B 77 4.588 2.943 -1.572 1.00 0.00 H new ATOM 0 HA LEU B 77 3.787 0.793 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.581 2.524 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.734 1.037 -1.742 1.00 0.00 H new ATOM 0 HG LEU B 77 2.575 2.949 0.442 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.340 3.955 0.328 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.277 4.254 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.005 3.019 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.695 1.884 1.628 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.377 0.867 0.203 1.00 0.00 H new ATOM 0 HD23 LEU B 77 1.903 0.688 1.101 1.00 0.00 H new ATOM 2809 N ASN B 78 4.358 0.012 -3.147 1.00 0.00 N ATOM 2810 CA ASN B 78 4.588 -1.101 -4.059 1.00 0.00 C ATOM 2811 C ASN B 78 5.883 -1.797 -3.667 1.00 0.00 C ATOM 2812 O ASN B 78 6.000 -3.020 -3.743 1.00 0.00 O ATOM 2813 CB ASN B 78 4.654 -0.603 -5.514 1.00 0.00 C ATOM 2814 CG ASN B 78 5.746 -1.269 -6.334 1.00 0.00 C ATOM 2815 OD1 ASN B 78 6.698 -0.473 -6.808 1.00 0.00 O flip ATOM 2816 ND2 ASN B 78 5.734 -2.484 -6.537 1.00 0.00 N flip ATOM 0 H ASN B 78 4.566 0.929 -3.543 1.00 0.00 H new ATOM 0 HA ASN B 78 3.761 -1.808 -3.990 1.00 0.00 H new ATOM 0 HB2 ASN B 78 3.691 -0.780 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN B 78 4.817 0.475 -5.514 1.00 0.00 H new ATOM 0 HD21 ASN B 78 4.983 -3.058 -6.154 1.00 0.00 H new ATOM 0 HD22 ASN B 78 6.475 -2.916 -7.088 1.00 0.00 H new ATOM 2823 N LEU B 79 6.854 -0.994 -3.239 1.00 0.00 N ATOM 2824 CA LEU B 79 8.145 -1.510 -2.823 1.00 0.00 C ATOM 2825 C LEU B 79 7.971 -2.443 -1.643 1.00 0.00 C ATOM 2826 O LEU B 79 8.345 -3.604 -1.712 1.00 0.00 O ATOM 2827 CB LEU B 79 9.092 -0.369 -2.470 1.00 0.00 C ATOM 2828 CG LEU B 79 9.771 0.318 -3.665 1.00 0.00 C ATOM 2829 CD1 LEU B 79 11.245 -0.009 -3.717 1.00 0.00 C ATOM 2830 CD2 LEU B 79 9.114 -0.062 -4.983 1.00 0.00 C ATOM 0 H LEU B 79 6.765 0.020 -3.173 1.00 0.00 H new ATOM 0 HA LEU B 79 8.583 -2.068 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.536 0.382 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.866 -0.754 -1.806 1.00 0.00 H new ATOM 0 HG LEU B 79 9.651 1.392 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.699 0.491 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU B 79 11.726 0.332 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU B 79 11.375 -1.087 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU B 79 9.623 0.445 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU B 79 9.181 -1.141 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU B 79 8.066 0.237 -4.967 1.00 0.00 H new ATOM 2842 N ILE B 80 7.374 -1.923 -0.573 1.00 0.00 N ATOM 2843 CA ILE B 80 7.116 -2.706 0.627 1.00 0.00 C ATOM 2844 C ILE B 80 5.918 -3.622 0.426 1.00 0.00 C ATOM 2845 O ILE B 80 5.961 -4.801 0.779 1.00 0.00 O ATOM 2846 CB ILE B 80 6.880 -1.821 1.865 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.935 -2.673 3.134 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.548 -1.109 1.766 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.613 -3.324 3.489 1.00 0.00 C ATOM 0 H ILE B 80 7.059 -0.955 -0.516 1.00 0.00 H new ATOM 0 HA ILE B 80 8.010 -3.304 0.805 1.00 0.00 H new ATOM 0 HB ILE B 80 7.667 -1.068 1.910 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.690 -3.449 3.007 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.257 -2.048 3.967 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.400 -0.489 2.650 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.537 -0.480 0.876 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.746 -1.845 1.701 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.730 -3.912 4.400 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.859 -2.553 3.649 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.298 -3.976 2.674 1.00 0.00 H new ATOM 2861 N GLY B 81 4.847 -3.081 -0.154 1.00 0.00 N ATOM 2862 CA GLY B 81 3.663 -3.885 -0.398 1.00 0.00 C ATOM 2863 C GLY B 81 4.023 -5.143 -1.148 1.00 0.00 C ATOM 2864 O GLY B 81 3.681 -6.247 -0.727 1.00 0.00 O ATOM 0 H GLY B 81 4.779 -2.109 -0.456 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.190 -4.143 0.550 1.00 0.00 H new ATOM 0 HA3 GLY B 81 2.937 -3.308 -0.971 1.00 0.00 H new ATOM 2868 N GLY B 82 4.754 -4.974 -2.245 1.00 0.00 N ATOM 2869 CA GLY B 82 5.189 -6.123 -3.016 1.00 0.00 C ATOM 2870 C GLY B 82 5.984 -7.099 -2.162 1.00 0.00 C ATOM 2871 O GLY B 82 5.939 -8.308 -2.388 1.00 0.00 O ATOM 0 H GLY B 82 5.051 -4.070 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.321 -6.630 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.801 -5.790 -3.854 1.00 0.00 H new ATOM 2875 N LEU B 83 6.699 -6.572 -1.164 1.00 0.00 N ATOM 2876 CA LEU B 83 7.484 -7.414 -0.262 1.00 0.00 C ATOM 2877 C LEU B 83 6.553 -8.277 0.568 1.00 0.00 C ATOM 2878 O LEU B 83 6.776 -9.476 0.724 1.00 0.00 O ATOM 2879 CB LEU B 83 8.372 -6.563 0.656 1.00 0.00 C ATOM 2880 CG LEU B 83 9.088 -5.417 -0.048 1.00 0.00 C ATOM 2881 CD1 LEU B 83 9.972 -4.629 0.894 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.915 -5.933 -1.201 1.00 0.00 C ATOM 0 H LEU B 83 6.750 -5.573 -0.962 1.00 0.00 H new ATOM 0 HA LEU B 83 8.133 -8.051 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.758 -6.154 1.458 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.116 -7.209 1.122 1.00 0.00 H new ATOM 0 HG LEU B 83 8.314 -4.747 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.461 -3.823 0.346 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.365 -4.207 1.695 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.728 -5.288 1.321 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.418 -5.099 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.659 -6.637 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.266 -6.436 -1.918 1.00 0.00 H new ATOM 2894 N ALA B 84 5.494 -7.663 1.085 1.00 0.00 N ATOM 2895 CA ALA B 84 4.515 -8.391 1.883 1.00 0.00 C ATOM 2896 C ALA B 84 3.960 -9.577 1.107 1.00 0.00 C ATOM 2897 O ALA B 84 3.639 -10.618 1.677 1.00 0.00 O ATOM 2898 CB ALA B 84 3.373 -7.475 2.275 1.00 0.00 C ATOM 0 H ALA B 84 5.293 -6.670 0.967 1.00 0.00 H new ATOM 0 HA ALA B 84 5.016 -8.755 2.780 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.649 -8.031 2.871 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.760 -6.641 2.860 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.888 -7.094 1.377 1.00 0.00 H new ATOM 2904 N VAL B 85 3.843 -9.393 -0.199 1.00 0.00 N ATOM 2905 CA VAL B 85 3.316 -10.429 -1.082 1.00 0.00 C ATOM 2906 C VAL B 85 4.396 -11.401 -1.517 1.00 0.00 C ATOM 2907 O VAL B 85 4.103 -12.501 -1.984 1.00 0.00 O ATOM 2908 CB VAL B 85 2.633 -9.843 -2.342 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.171 -10.242 -2.368 1.00 0.00 C ATOM 2910 CG2 VAL B 85 2.771 -8.326 -2.413 1.00 0.00 C ATOM 0 H VAL B 85 4.107 -8.531 -0.676 1.00 0.00 H new ATOM 0 HA VAL B 85 2.567 -10.959 -0.494 1.00 0.00 H new ATOM 0 HB VAL B 85 3.138 -10.255 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL B 85 0.696 -9.827 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.091 -11.329 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.673 -9.858 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.278 -7.957 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.307 -7.877 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL B 85 3.827 -8.058 -2.443 1.00 0.00 H new ATOM 2920 N ALA B 86 5.640 -10.990 -1.368 1.00 0.00 N ATOM 2921 CA ALA B 86 6.761 -11.822 -1.753 1.00 0.00 C ATOM 2922 C ALA B 86 7.596 -12.216 -0.543 1.00 0.00 C ATOM 2923 O ALA B 86 8.725 -12.686 -0.682 1.00 0.00 O ATOM 2924 CB ALA B 86 7.600 -11.075 -2.763 1.00 0.00 C ATOM 0 H ALA B 86 5.899 -10.082 -0.982 1.00 0.00 H new ATOM 0 HA ALA B 86 6.386 -12.743 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.448 -11.693 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA B 86 6.994 -10.844 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA B 86 7.964 -10.148 -2.319 1.00 0.00 H new ATOM 2930 N CYS B 87 7.038 -12.016 0.643 1.00 0.00 N ATOM 2931 CA CYS B 87 7.735 -12.344 1.875 1.00 0.00 C ATOM 2932 C CYS B 87 6.761 -12.506 3.042 1.00 0.00 C ATOM 2933 O CYS B 87 6.920 -13.407 3.866 1.00 0.00 O ATOM 2934 CB CYS B 87 8.768 -11.264 2.196 1.00 0.00 C ATOM 2935 SG CYS B 87 10.172 -11.855 3.171 1.00 0.00 S ATOM 0 H CYS B 87 6.104 -11.628 0.776 1.00 0.00 H new ATOM 0 HA CYS B 87 8.244 -13.297 1.730 1.00 0.00 H new ATOM 0 HB2 CYS B 87 9.139 -10.842 1.262 1.00 0.00 H new ATOM 0 HB3 CYS B 87 8.277 -10.456 2.738 1.00 0.00 H new ATOM 0 HG CYS B 87 10.993 -10.871 3.391 1.00 0.00 H new ATOM 2941 N HIS B 88 5.751 -11.637 3.114 1.00 0.00 N ATOM 2942 CA HIS B 88 4.769 -11.714 4.194 1.00 0.00 C ATOM 2943 C HIS B 88 3.557 -12.542 3.776 1.00 0.00 C ATOM 2944 O HIS B 88 3.477 -13.020 2.645 1.00 0.00 O ATOM 2945 CB HIS B 88 4.326 -10.315 4.624 1.00 0.00 C ATOM 2946 CG HIS B 88 3.983 -10.221 6.079 1.00 0.00 C ATOM 2947 ND1 HIS B 88 3.257 -9.180 6.619 1.00 0.00 N ATOM 2948 CD2 HIS B 88 4.274 -11.049 7.111 1.00 0.00 C ATOM 2949 CE1 HIS B 88 3.116 -9.371 7.918 1.00 0.00 C ATOM 2950 NE2 HIS B 88 3.723 -10.497 8.242 1.00 0.00 N ATOM 0 H HIS B 88 5.593 -10.882 2.447 1.00 0.00 H new ATOM 0 HA HIS B 88 5.246 -12.206 5.041 1.00 0.00 H new ATOM 0 HB2 HIS B 88 5.122 -9.605 4.399 1.00 0.00 H new ATOM 0 HB3 HIS B 88 3.459 -10.019 4.034 1.00 0.00 H new ATOM 0 HD2 HIS B 88 4.834 -11.971 7.055 1.00 0.00 H new ATOM 0 HE1 HIS B 88 2.593 -8.717 8.600 1.00 0.00 H new ATOM 0 HE2 HIS B 88 3.775 -10.893 9.180 1.00 0.00 H new ATOM 2959 N GLU B 89 2.617 -12.711 4.703 1.00 0.00 N ATOM 2960 CA GLU B 89 1.410 -13.487 4.439 1.00 0.00 C ATOM 2961 C GLU B 89 0.564 -12.840 3.348 1.00 0.00 C ATOM 2962 O GLU B 89 -0.263 -11.969 3.620 1.00 0.00 O ATOM 2963 CB GLU B 89 0.584 -13.632 5.720 1.00 0.00 C ATOM 2964 CG GLU B 89 1.200 -14.580 6.737 1.00 0.00 C ATOM 2965 CD GLU B 89 0.299 -15.756 7.060 1.00 0.00 C ATOM 2966 OE1 GLU B 89 -0.935 -15.606 6.955 1.00 0.00 O ATOM 2967 OE2 GLU B 89 0.831 -16.830 7.415 1.00 0.00 O ATOM 0 H GLU B 89 2.669 -12.320 5.644 1.00 0.00 H new ATOM 0 HA GLU B 89 1.716 -14.474 4.093 1.00 0.00 H new ATOM 0 HB2 GLU B 89 0.463 -12.650 6.178 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.413 -13.988 5.461 1.00 0.00 H new ATOM 0 HG2 GLU B 89 2.151 -14.950 6.353 1.00 0.00 H new ATOM 0 HG3 GLU B 89 1.418 -14.032 7.654 1.00 0.00 H new ATOM 2974 N SER B 90 0.774 -13.277 2.109 1.00 0.00 N ATOM 2975 CA SER B 90 0.031 -12.751 0.967 1.00 0.00 C ATOM 2976 C SER B 90 0.578 -13.320 -0.337 1.00 0.00 C ATOM 2977 O SER B 90 1.697 -13.005 -0.741 1.00 0.00 O ATOM 2978 CB SER B 90 0.095 -11.220 0.939 1.00 0.00 C ATOM 2979 OG SER B 90 1.177 -10.739 1.716 1.00 0.00 O ATOM 0 H SER B 90 1.456 -13.997 1.870 1.00 0.00 H new ATOM 0 HA SER B 90 -1.010 -13.055 1.072 1.00 0.00 H new ATOM 0 HB2 SER B 90 0.202 -10.876 -0.090 1.00 0.00 H new ATOM 0 HB3 SER B 90 -0.840 -10.807 1.318 1.00 0.00 H new ATOM 0 HG SER B 90 1.995 -11.219 1.470 1.00 0.00 H new ATOM 2985 N PHE B 91 -0.218 -14.165 -0.989 1.00 0.00 N ATOM 2986 CA PHE B 91 0.186 -14.787 -2.247 1.00 0.00 C ATOM 2987 C PHE B 91 1.318 -15.784 -2.020 1.00 0.00 C ATOM 2988 O PHE B 91 1.140 -16.990 -2.185 1.00 0.00 O ATOM 2989 CB PHE B 91 0.622 -13.722 -3.257 1.00 0.00 C ATOM 2990 CG PHE B 91 0.190 -14.018 -4.666 1.00 0.00 C ATOM 2991 CD1 PHE B 91 0.886 -14.932 -5.440 1.00 0.00 C ATOM 2992 CD2 PHE B 91 -0.913 -13.383 -5.215 1.00 0.00 C ATOM 2993 CE1 PHE B 91 0.491 -15.206 -6.736 1.00 0.00 C ATOM 2994 CE2 PHE B 91 -1.313 -13.653 -6.509 1.00 0.00 C ATOM 2995 CZ PHE B 91 -0.610 -14.566 -7.271 1.00 0.00 C ATOM 0 H PHE B 91 -1.147 -14.435 -0.666 1.00 0.00 H new ATOM 0 HA PHE B 91 -0.674 -15.323 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE B 91 0.213 -12.758 -2.955 1.00 0.00 H new ATOM 0 HB3 PHE B 91 1.708 -13.630 -3.230 1.00 0.00 H new ATOM 0 HD1 PHE B 91 1.747 -15.436 -5.026 1.00 0.00 H new ATOM 0 HD2 PHE B 91 -1.466 -12.668 -4.624 1.00 0.00 H new ATOM 0 HE1 PHE B 91 1.043 -15.920 -7.330 1.00 0.00 H new ATOM 0 HE2 PHE B 91 -2.174 -13.151 -6.925 1.00 0.00 H new ATOM 0 HZ PHE B 91 -0.921 -14.779 -8.283 1.00 0.00 H new ATOM 3005 N VAL B 92 2.483 -15.271 -1.636 1.00 0.00 N ATOM 3006 CA VAL B 92 3.644 -16.115 -1.381 1.00 0.00 C ATOM 3007 C VAL B 92 3.373 -17.094 -0.242 1.00 0.00 C ATOM 3008 O VAL B 92 4.002 -18.148 -0.154 1.00 0.00 O ATOM 3009 CB VAL B 92 4.887 -15.269 -1.036 1.00 0.00 C ATOM 3010 CG1 VAL B 92 4.650 -14.454 0.227 1.00 0.00 C ATOM 3011 CG2 VAL B 92 6.114 -16.157 -0.885 1.00 0.00 C ATOM 0 H VAL B 92 2.647 -14.274 -1.495 1.00 0.00 H new ATOM 0 HA VAL B 92 3.838 -16.674 -2.296 1.00 0.00 H new ATOM 0 HB VAL B 92 5.068 -14.575 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL B 92 5.539 -13.865 0.452 1.00 0.00 H new ATOM 0 HG12 VAL B 92 3.801 -13.787 0.076 1.00 0.00 H new ATOM 0 HG13 VAL B 92 4.440 -15.126 1.059 1.00 0.00 H new ATOM 0 HG21 VAL B 92 6.980 -15.542 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL B 92 5.945 -16.878 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL B 92 6.296 -16.687 -1.820 1.00 0.00 H new