USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 86 SER OG : rot 100:sc= 0.475 USER MOD Set 3.1: A 43 THR OG1 : rot 167:sc= 0.437 USER MOD Set 3.2: A 57 ASN : amide:sc= 0.989 K(o=1.4,f=-1.8) USER MOD Set 4.1: A 28 THR OG1 : rot -2:sc= 0.299 USER MOD Set 4.2: A 47 THR OG1 : rot -80:sc=0.000676 USER MOD Set 5.1: A 17 THR OG1 : rot 45:sc= 0.472 USER MOD Set 5.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN :FLIP amide:sc= -3.11 F(o=-8.4!,f=-3.1) USER MOD Single : A 1 ASN N :NH3+ 139:sc= 0.0489 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 171:sc= -0.544 (180deg=-0.694) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 27 THR OG1 : rot 140:sc= -0.0005 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 71:sc= 1.13 USER MOD Single : A 41 HIS : no HD1:sc= -0.198 K(o=-0.2,f=-0.71) USER MOD Single : A 42 SER OG : rot -32:sc= 0.213 USER MOD Single : A 44 GLN :FLIP amide:sc= -1.11 F(o=-3.6!,f=-1.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -10.1! C(o=-12!,f=-10!) USER MOD Single : A 50 SER OG : rot -55:sc= 0.358 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.792 USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) USER MOD Single : A 67 HIS : no HD1:sc= -2.03! C(o=-2!,f=-6.7!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.173 F(o=-3!,f=-0.17) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 79 LYS NZ :NH3+ -113:sc= -0.96 (180deg=-4.07!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN :FLIP amide:sc= -1.84 F(o=-6.1!,f=-1.8) USER MOD Single : A 91 SER OG : rot -71:sc= -1.16! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -87:sc= 1.4 USER MOD Single : A 109 GLN : amide:sc=-0.00275 K(o=-0.0028,f=-1.3!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HE2:sc= -0.107 K(o=-0.11,f=-0.97) USER MOD Single : A 121 GLN :FLIP amide:sc=-0.00376 F(o=-1.1,f=-0.0038) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.721 -1.033 -1.675 1.00 0.00 N ATOM 21 CA ASN A 1 31.572 -0.159 -1.883 1.00 0.00 C ATOM 22 C ASN A 1 30.605 -0.758 -2.898 1.00 0.00 C ATOM 23 O ASN A 1 31.015 -1.474 -3.812 1.00 0.00 O ATOM 24 CB ASN A 1 32.035 1.221 -2.352 1.00 0.00 C ATOM 25 CG ASN A 1 32.067 2.230 -1.224 1.00 0.00 C ATOM 26 OD1 ASN A 1 30.938 2.888 -0.998 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 33.089 2.412 -0.563 1.00 0.00 N flip ATOM 0 H1 ASN A 1 33.587 -0.460 -1.614 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.596 -1.567 -0.791 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.801 -1.697 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 1 31.049 -0.056 -0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 1 33.029 1.138 -2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.369 1.578 -3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.934 1.882 -0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.091 3.093 0.196 1.00 0.00 H new ATOM 34 N CYS A 2 29.319 -0.459 -2.735 1.00 0.00 N ATOM 35 CA CYS A 2 28.296 -0.970 -3.637 1.00 0.00 C ATOM 36 C CYS A 2 27.982 0.035 -4.738 1.00 0.00 C ATOM 37 O CYS A 2 28.410 1.188 -4.681 1.00 0.00 O ATOM 38 CB CYS A 2 27.022 -1.310 -2.863 1.00 0.00 C ATOM 39 SG CYS A 2 27.182 -2.765 -1.779 1.00 0.00 S ATOM 0 H CYS A 2 28.963 0.135 -1.986 1.00 0.00 H new ATOM 0 HA CYS A 2 28.684 -1.877 -4.101 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.735 -0.449 -2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.213 -1.485 -3.573 1.00 0.00 H new ATOM 44 N GLY A 3 27.230 -0.410 -5.737 1.00 0.00 N ATOM 45 CA GLY A 3 26.855 0.470 -6.826 1.00 0.00 C ATOM 46 C GLY A 3 25.856 1.518 -6.374 1.00 0.00 C ATOM 47 O GLY A 3 25.187 1.329 -5.359 1.00 0.00 O ATOM 0 H GLY A 3 26.874 -1.363 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.744 0.960 -7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.426 -0.117 -7.638 1.00 0.00 H new ATOM 51 N PRO A 4 25.734 2.641 -7.101 1.00 0.00 N ATOM 52 CA PRO A 4 24.795 3.711 -6.742 1.00 0.00 C ATOM 53 C PRO A 4 23.391 3.180 -6.454 1.00 0.00 C ATOM 54 O PRO A 4 22.827 2.435 -7.255 1.00 0.00 O ATOM 55 CB PRO A 4 24.799 4.605 -7.982 1.00 0.00 C ATOM 56 CG PRO A 4 26.154 4.407 -8.568 1.00 0.00 C ATOM 57 CD PRO A 4 26.495 2.963 -8.323 1.00 0.00 C ATOM 0 HA PRO A 4 25.086 4.229 -5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.016 4.318 -8.683 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.626 5.649 -7.721 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.157 4.635 -9.634 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.884 5.067 -8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.199 2.331 -9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.566 2.821 -8.180 1.00 0.00 H new ATOM 65 N PRO A 5 22.815 3.557 -5.296 1.00 0.00 N ATOM 66 CA PRO A 5 21.477 3.115 -4.888 1.00 0.00 C ATOM 67 C PRO A 5 20.454 3.184 -6.020 1.00 0.00 C ATOM 68 O PRO A 5 20.346 4.198 -6.710 1.00 0.00 O ATOM 69 CB PRO A 5 21.114 4.099 -3.779 1.00 0.00 C ATOM 70 CG PRO A 5 22.421 4.467 -3.168 1.00 0.00 C ATOM 71 CD PRO A 5 23.427 4.448 -4.288 1.00 0.00 C ATOM 0 HA PRO A 5 21.472 2.070 -4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.601 4.974 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.447 3.644 -3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.371 5.453 -2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.697 3.761 -2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.599 5.447 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.392 4.069 -3.952 1.00 0.00 H new ATOM 79 N PRO A 6 19.690 2.095 -6.223 1.00 0.00 N ATOM 80 CA PRO A 6 18.667 2.016 -7.263 1.00 0.00 C ATOM 81 C PRO A 6 17.360 2.663 -6.824 1.00 0.00 C ATOM 82 O PRO A 6 17.233 3.189 -5.718 1.00 0.00 O ATOM 83 CB PRO A 6 18.462 0.503 -7.459 1.00 0.00 C ATOM 84 CG PRO A 6 19.363 -0.180 -6.475 1.00 0.00 C ATOM 85 CD PRO A 6 19.757 0.849 -5.456 1.00 0.00 C ATOM 0 HA PRO A 6 18.969 2.540 -8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.421 0.227 -7.288 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.707 0.207 -8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.852 -1.017 -6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.243 -0.585 -6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.076 0.859 -4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.757 0.668 -5.062 1.00 0.00 H new ATOM 93 N THR A 7 16.394 2.598 -7.737 1.00 0.00 N ATOM 94 CA THR A 7 15.065 3.152 -7.507 1.00 0.00 C ATOM 95 C THR A 7 14.115 2.038 -7.084 1.00 0.00 C ATOM 96 O THR A 7 14.072 0.983 -7.717 1.00 0.00 O ATOM 97 CB THR A 7 14.513 3.844 -8.768 1.00 0.00 C ATOM 98 OG1 THR A 7 15.453 4.816 -9.242 1.00 0.00 O ATOM 99 CG2 THR A 7 13.183 4.523 -8.475 1.00 0.00 C ATOM 0 H THR A 7 16.511 2.162 -8.652 1.00 0.00 H new ATOM 0 HA THR A 7 15.144 3.900 -6.718 1.00 0.00 H new ATOM 0 HB THR A 7 14.355 3.084 -9.533 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.097 5.251 -10.045 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.813 5.005 -9.380 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.461 3.779 -8.139 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.321 5.273 -7.696 1.00 0.00 H new ATOM 107 N LEU A 8 13.355 2.264 -6.021 1.00 0.00 N ATOM 108 CA LEU A 8 12.420 1.257 -5.542 1.00 0.00 C ATOM 109 C LEU A 8 10.977 1.753 -5.580 1.00 0.00 C ATOM 110 O LEU A 8 10.677 2.803 -6.148 1.00 0.00 O ATOM 111 CB LEU A 8 12.797 0.841 -4.121 1.00 0.00 C ATOM 112 CG LEU A 8 14.244 0.373 -3.959 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.182 1.560 -3.801 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.370 -0.568 -2.771 1.00 0.00 C ATOM 0 H LEU A 8 13.367 3.128 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 8 12.485 0.396 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.624 1.684 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.131 0.039 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 8 14.529 -0.168 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.205 1.202 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.116 2.196 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.898 2.133 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.406 -0.891 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.062 -0.050 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.732 -1.438 -2.927 1.00 0.00 H new ATOM 126 N SER A 9 10.095 0.975 -4.964 1.00 0.00 N ATOM 127 CA SER A 9 8.677 1.316 -4.914 1.00 0.00 C ATOM 128 C SER A 9 8.139 1.204 -3.495 1.00 0.00 C ATOM 129 O SER A 9 7.402 2.071 -3.030 1.00 0.00 O ATOM 130 CB SER A 9 7.879 0.403 -5.847 1.00 0.00 C ATOM 131 OG SER A 9 6.497 0.715 -5.806 1.00 0.00 O ATOM 0 H SER A 9 10.336 0.104 -4.492 1.00 0.00 H new ATOM 0 HA SER A 9 8.567 2.349 -5.244 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.249 0.508 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.029 -0.637 -5.559 1.00 0.00 H new ATOM 0 HG SER A 9 6.009 0.119 -6.412 1.00 0.00 H new ATOM 137 N PHE A 10 8.512 0.131 -2.810 1.00 0.00 N ATOM 138 CA PHE A 10 8.067 -0.089 -1.440 1.00 0.00 C ATOM 139 C PHE A 10 8.901 0.725 -0.460 1.00 0.00 C ATOM 140 O PHE A 10 9.188 0.266 0.646 1.00 0.00 O ATOM 141 CB PHE A 10 8.136 -1.573 -1.080 1.00 0.00 C ATOM 142 CG PHE A 10 9.281 -2.299 -1.726 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.521 -2.348 -1.113 1.00 0.00 C ATOM 144 CD2 PHE A 10 9.116 -2.932 -2.948 1.00 0.00 C ATOM 145 CE1 PHE A 10 11.578 -3.014 -1.703 1.00 0.00 C ATOM 146 CE2 PHE A 10 10.169 -3.601 -3.544 1.00 0.00 C ATOM 147 CZ PHE A 10 11.401 -3.641 -2.921 1.00 0.00 C ATOM 0 H PHE A 10 9.120 -0.599 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 10 7.030 0.240 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.219 -1.672 0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.202 -2.053 -1.373 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.664 -1.859 -0.161 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.155 -2.902 -3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.540 -3.044 -1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.028 -4.092 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.225 -4.162 -3.386 1.00 0.00 H new ATOM 157 N ALA A 11 9.253 1.947 -0.874 1.00 0.00 N ATOM 158 CA ALA A 11 10.050 2.880 -0.077 1.00 0.00 C ATOM 159 C ALA A 11 10.799 3.839 -0.996 1.00 0.00 C ATOM 160 O ALA A 11 11.177 3.495 -2.116 1.00 0.00 O ATOM 161 CB ALA A 11 11.029 2.159 0.841 1.00 0.00 C ATOM 0 H ALA A 11 8.987 2.319 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 11 9.364 3.441 0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.599 2.892 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.478 1.513 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.712 1.555 0.243 1.00 0.00 H new ATOM 167 N ALA A 12 11.001 5.048 -0.489 1.00 0.00 N ATOM 168 CA ALA A 12 11.732 6.065 -1.234 1.00 0.00 C ATOM 169 C ALA A 12 12.752 6.762 -0.337 1.00 0.00 C ATOM 170 O ALA A 12 12.707 6.612 0.879 1.00 0.00 O ATOM 171 CB ALA A 12 10.772 7.074 -1.844 1.00 0.00 C ATOM 0 H ALA A 12 10.672 5.347 0.429 1.00 0.00 H new ATOM 0 HA ALA A 12 12.272 5.575 -2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.336 7.825 -2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.089 6.562 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.202 7.559 -1.052 1.00 0.00 H new ATOM 177 N PRO A 13 13.671 7.552 -0.920 1.00 0.00 N ATOM 178 CA PRO A 13 14.708 8.246 -0.149 1.00 0.00 C ATOM 179 C PRO A 13 14.117 9.138 0.937 1.00 0.00 C ATOM 180 O PRO A 13 13.135 9.845 0.709 1.00 0.00 O ATOM 181 CB PRO A 13 15.451 9.089 -1.195 1.00 0.00 C ATOM 182 CG PRO A 13 14.559 9.122 -2.392 1.00 0.00 C ATOM 183 CD PRO A 13 13.755 7.856 -2.357 1.00 0.00 C ATOM 0 HA PRO A 13 15.356 7.544 0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.644 10.095 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.418 8.648 -1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.908 9.996 -2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.143 9.186 -3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.768 7.993 -2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.243 7.054 -2.911 1.00 0.00 H new ATOM 191 N MET A 14 14.728 9.100 2.121 1.00 0.00 N ATOM 192 CA MET A 14 14.251 9.908 3.238 1.00 0.00 C ATOM 193 C MET A 14 15.394 10.319 4.163 1.00 0.00 C ATOM 194 O MET A 14 15.252 11.236 4.972 1.00 0.00 O ATOM 195 CB MET A 14 13.190 9.137 4.030 1.00 0.00 C ATOM 196 CG MET A 14 12.505 9.969 5.103 1.00 0.00 C ATOM 197 SD MET A 14 11.209 9.063 5.971 1.00 0.00 S ATOM 198 CE MET A 14 12.174 7.839 6.853 1.00 0.00 C ATOM 0 H MET A 14 15.545 8.525 2.328 1.00 0.00 H new ATOM 0 HA MET A 14 13.810 10.816 2.827 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.436 8.759 3.339 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.657 8.270 4.497 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.249 10.308 5.823 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.075 10.860 4.646 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.533 7.308 7.556 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.599 7.130 6.143 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.978 8.333 7.398 1.00 0.00 H new ATOM 208 N ASP A 15 16.526 9.639 4.033 1.00 0.00 N ATOM 209 CA ASP A 15 17.692 9.935 4.857 1.00 0.00 C ATOM 210 C ASP A 15 18.970 9.490 4.160 1.00 0.00 C ATOM 211 O ASP A 15 19.530 8.438 4.472 1.00 0.00 O ATOM 212 CB ASP A 15 17.567 9.246 6.215 1.00 0.00 C ATOM 213 CG ASP A 15 18.705 9.600 7.154 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.745 10.753 7.631 1.00 0.00 O ATOM 215 OD2 ASP A 15 19.556 8.722 7.411 1.00 0.00 O ATOM 0 H ASP A 15 16.662 8.880 3.366 1.00 0.00 H new ATOM 0 HA ASP A 15 17.740 11.013 5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.620 9.527 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.543 8.166 6.070 1.00 0.00 H new ATOM 220 N ILE A 16 19.422 10.298 3.208 1.00 0.00 N ATOM 221 CA ILE A 16 20.621 10.001 2.456 1.00 0.00 C ATOM 222 C ILE A 16 20.995 11.149 1.537 1.00 0.00 C ATOM 223 O ILE A 16 20.421 11.306 0.461 1.00 0.00 O ATOM 224 CB ILE A 16 20.445 8.732 1.607 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.584 8.599 0.593 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.093 8.740 0.909 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.553 7.308 -0.193 1.00 0.00 C ATOM 0 H ILE A 16 18.966 11.171 2.942 1.00 0.00 H new ATOM 0 HA ILE A 16 21.417 9.845 3.184 1.00 0.00 H new ATOM 0 HB ILE A 16 20.480 7.866 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.539 9.438 -0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.536 8.671 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.986 7.834 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.299 8.779 1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.024 9.612 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.390 7.287 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.629 6.463 0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.617 7.242 -0.748 1.00 0.00 H new ATOM 239 N THR A 17 21.938 11.970 1.970 1.00 0.00 N ATOM 240 CA THR A 17 22.393 13.070 1.143 1.00 0.00 C ATOM 241 C THR A 17 22.865 12.528 -0.193 1.00 0.00 C ATOM 242 O THR A 17 23.824 11.758 -0.255 1.00 0.00 O ATOM 243 CB THR A 17 23.544 13.854 1.793 1.00 0.00 C ATOM 244 OG1 THR A 17 24.616 12.964 2.126 1.00 0.00 O ATOM 245 CG2 THR A 17 23.071 14.580 3.043 1.00 0.00 C ATOM 0 H THR A 17 22.397 11.896 2.878 1.00 0.00 H new ATOM 0 HA THR A 17 21.553 13.753 1.016 1.00 0.00 H new ATOM 0 HB THR A 17 23.897 14.596 1.077 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.777 12.352 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.905 15.127 3.484 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.277 15.279 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.692 13.855 3.763 1.00 0.00 H new ATOM 253 N LEU A 18 22.188 12.921 -1.260 1.00 0.00 N ATOM 254 CA LEU A 18 22.534 12.450 -2.583 1.00 0.00 C ATOM 255 C LEU A 18 23.761 13.172 -3.121 1.00 0.00 C ATOM 256 O LEU A 18 23.895 13.385 -4.327 1.00 0.00 O ATOM 257 CB LEU A 18 21.353 12.640 -3.531 1.00 0.00 C ATOM 258 CG LEU A 18 20.409 11.442 -3.640 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.181 10.196 -4.047 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.687 11.212 -2.322 1.00 0.00 C ATOM 0 H LEU A 18 21.397 13.564 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 18 22.771 11.388 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.779 13.506 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.738 12.871 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 18 19.665 11.656 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.496 9.351 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.657 10.362 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.944 9.980 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.019 10.356 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.417 11.017 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.106 12.098 -2.066 1.00 0.00 H new ATOM 272 N THR A 19 24.657 13.537 -2.218 1.00 0.00 N ATOM 273 CA THR A 19 25.877 14.240 -2.582 1.00 0.00 C ATOM 274 C THR A 19 26.963 13.254 -2.994 1.00 0.00 C ATOM 275 O THR A 19 27.961 13.632 -3.610 1.00 0.00 O ATOM 276 CB THR A 19 26.388 15.098 -1.412 1.00 0.00 C ATOM 277 OG1 THR A 19 26.871 14.255 -0.359 1.00 0.00 O ATOM 278 CG2 THR A 19 25.277 15.992 -0.880 1.00 0.00 C ATOM 0 H THR A 19 24.561 13.356 -1.219 1.00 0.00 H new ATOM 0 HA THR A 19 25.643 14.891 -3.424 1.00 0.00 H new ATOM 0 HB THR A 19 27.202 15.725 -1.776 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.196 14.809 0.381 1.00 0.00 H new ATOM 0 HG21 THR A 19 25.657 16.592 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 19 24.928 16.651 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 19 24.449 15.375 -0.530 1.00 0.00 H new ATOM 286 N GLU A 20 26.756 11.989 -2.650 1.00 0.00 N ATOM 287 CA GLU A 20 27.707 10.936 -2.981 1.00 0.00 C ATOM 288 C GLU A 20 27.086 9.938 -3.955 1.00 0.00 C ATOM 289 O GLU A 20 25.913 10.054 -4.310 1.00 0.00 O ATOM 290 CB GLU A 20 28.162 10.222 -1.709 1.00 0.00 C ATOM 291 CG GLU A 20 28.882 11.133 -0.728 1.00 0.00 C ATOM 292 CD GLU A 20 29.293 10.415 0.542 1.00 0.00 C ATOM 293 OE1 GLU A 20 30.354 9.756 0.535 1.00 0.00 O ATOM 294 OE2 GLU A 20 28.552 10.509 1.544 1.00 0.00 O ATOM 0 H GLU A 20 25.934 11.667 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 20 28.574 11.389 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 20 27.293 9.785 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.823 9.399 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 20 29.768 11.550 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 20 28.233 11.971 -0.473 1.00 0.00 H new ATOM 301 N THR A 21 27.876 8.958 -4.380 1.00 0.00 N ATOM 302 CA THR A 21 27.398 7.948 -5.319 1.00 0.00 C ATOM 303 C THR A 21 27.797 6.548 -4.871 1.00 0.00 C ATOM 304 O THR A 21 27.385 5.552 -5.469 1.00 0.00 O ATOM 305 CB THR A 21 27.959 8.194 -6.729 1.00 0.00 C ATOM 306 OG1 THR A 21 28.043 9.600 -6.987 1.00 0.00 O ATOM 307 CG2 THR A 21 27.082 7.535 -7.782 1.00 0.00 C ATOM 0 H THR A 21 28.847 8.841 -4.091 1.00 0.00 H new ATOM 0 HA THR A 21 26.311 8.024 -5.342 1.00 0.00 H new ATOM 0 HB THR A 21 28.956 7.756 -6.779 1.00 0.00 H new ATOM 0 HG1 THR A 21 28.403 9.747 -7.887 1.00 0.00 H new ATOM 0 HG21 THR A 21 27.499 7.723 -8.772 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.043 6.461 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 21 26.075 7.949 -7.728 1.00 0.00 H new ATOM 315 N ARG A 22 28.604 6.480 -3.821 1.00 0.00 N ATOM 316 CA ARG A 22 29.069 5.204 -3.286 1.00 0.00 C ATOM 317 C ARG A 22 28.752 5.108 -1.798 1.00 0.00 C ATOM 318 O ARG A 22 28.732 6.121 -1.099 1.00 0.00 O ATOM 319 CB ARG A 22 30.571 5.063 -3.495 1.00 0.00 C ATOM 320 CG ARG A 22 30.977 4.914 -4.953 1.00 0.00 C ATOM 321 CD ARG A 22 32.482 4.754 -5.097 1.00 0.00 C ATOM 322 NE ARG A 22 33.207 5.913 -4.583 1.00 0.00 N ATOM 323 CZ ARG A 22 34.529 5.954 -4.441 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.270 4.904 -4.770 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.111 7.047 -3.968 1.00 0.00 N ATOM 0 H ARG A 22 28.953 7.297 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 22 28.555 4.401 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.070 5.937 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.926 4.196 -2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.475 4.049 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.647 5.788 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.804 3.859 -4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.732 4.607 -6.148 1.00 0.00 H new ATOM 0 HE ARG A 22 32.669 6.738 -4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.826 4.061 -5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.283 4.940 -4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.545 7.856 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.125 7.079 -3.859 1.00 0.00 H new ATOM 339 N PHE A 23 28.504 3.896 -1.309 1.00 0.00 N ATOM 340 CA PHE A 23 28.184 3.685 0.101 1.00 0.00 C ATOM 341 C PHE A 23 28.797 2.373 0.596 1.00 0.00 C ATOM 342 O PHE A 23 28.410 1.290 0.157 1.00 0.00 O ATOM 343 CB PHE A 23 26.664 3.692 0.296 1.00 0.00 C ATOM 344 CG PHE A 23 26.010 4.954 -0.198 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.796 5.150 -1.553 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.629 5.950 0.686 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.216 6.310 -2.018 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.046 7.118 0.224 1.00 0.00 C ATOM 349 CZ PHE A 23 24.840 7.298 -1.129 1.00 0.00 C ATOM 0 H PHE A 23 28.518 3.043 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 23 28.611 4.497 0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.233 2.838 -0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.439 3.564 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.088 4.383 -2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.788 5.814 1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.055 6.447 -3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.753 7.888 0.922 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.386 8.209 -1.491 1.00 0.00 H new ATOM 359 N LYS A 24 29.762 2.487 1.511 1.00 0.00 N ATOM 360 CA LYS A 24 30.470 1.323 2.056 1.00 0.00 C ATOM 361 C LYS A 24 29.525 0.244 2.564 1.00 0.00 C ATOM 362 O LYS A 24 28.317 0.450 2.672 1.00 0.00 O ATOM 363 CB LYS A 24 31.408 1.745 3.185 1.00 0.00 C ATOM 364 CG LYS A 24 30.758 2.665 4.205 1.00 0.00 C ATOM 365 CD LYS A 24 31.757 3.132 5.251 1.00 0.00 C ATOM 366 CE LYS A 24 31.061 3.792 6.430 1.00 0.00 C ATOM 367 NZ LYS A 24 32.027 4.203 7.487 1.00 0.00 N ATOM 0 H LYS A 24 30.074 3.380 1.893 1.00 0.00 H new ATOM 0 HA LYS A 24 31.045 0.900 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.774 0.853 3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.276 2.247 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.331 3.530 3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.935 2.144 4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.342 2.282 5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.456 3.836 4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.509 4.666 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.331 3.102 6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.512 4.649 8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.536 3.366 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.708 4.881 7.090 1.00 0.00 H new ATOM 381 N THR A 25 30.110 -0.905 2.899 1.00 0.00 N ATOM 382 CA THR A 25 29.358 -2.046 3.394 1.00 0.00 C ATOM 383 C THR A 25 28.758 -1.773 4.768 1.00 0.00 C ATOM 384 O THR A 25 27.929 -2.543 5.256 1.00 0.00 O ATOM 385 CB THR A 25 30.236 -3.306 3.460 1.00 0.00 C ATOM 386 OG1 THR A 25 31.559 -2.964 3.891 1.00 0.00 O ATOM 387 CG2 THR A 25 30.296 -4.009 2.105 1.00 0.00 C ATOM 0 H THR A 25 31.115 -1.066 2.834 1.00 0.00 H new ATOM 0 HA THR A 25 28.545 -2.215 2.688 1.00 0.00 H new ATOM 0 HB THR A 25 29.788 -3.991 4.180 1.00 0.00 H new ATOM 0 HG1 THR A 25 32.109 -3.774 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.924 -4.896 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 25 29.291 -4.302 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.716 -3.331 1.362 1.00 0.00 H new ATOM 395 N GLY A 26 29.180 -0.679 5.388 1.00 0.00 N ATOM 396 CA GLY A 26 28.671 -0.315 6.701 1.00 0.00 C ATOM 397 C GLY A 26 27.665 0.813 6.615 1.00 0.00 C ATOM 398 O GLY A 26 27.400 1.508 7.596 1.00 0.00 O ATOM 0 H GLY A 26 29.869 -0.032 5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 26 28.205 -1.184 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.500 -0.016 7.343 1.00 0.00 H new ATOM 402 N THR A 27 27.109 0.982 5.425 1.00 0.00 N ATOM 403 CA THR A 27 26.126 2.026 5.177 1.00 0.00 C ATOM 404 C THR A 27 24.714 1.467 5.281 1.00 0.00 C ATOM 405 O THR A 27 24.488 0.283 5.035 1.00 0.00 O ATOM 406 CB THR A 27 26.313 2.663 3.787 1.00 0.00 C ATOM 407 OG1 THR A 27 25.841 4.015 3.799 1.00 0.00 O ATOM 408 CG2 THR A 27 25.561 1.875 2.726 1.00 0.00 C ATOM 0 H THR A 27 27.323 0.406 4.611 1.00 0.00 H new ATOM 0 HA THR A 27 26.276 2.794 5.936 1.00 0.00 H new ATOM 0 HB THR A 27 27.376 2.649 3.547 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.451 4.579 3.280 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.708 2.343 1.753 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.938 0.853 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.498 1.863 2.967 1.00 0.00 H new ATOM 416 N THR A 28 23.765 2.318 5.647 1.00 0.00 N ATOM 417 CA THR A 28 22.381 1.891 5.764 1.00 0.00 C ATOM 418 C THR A 28 21.426 3.053 5.535 1.00 0.00 C ATOM 419 O THR A 28 21.470 4.060 6.240 1.00 0.00 O ATOM 420 CB THR A 28 22.098 1.247 7.134 1.00 0.00 C ATOM 421 OG1 THR A 28 22.911 0.080 7.304 1.00 0.00 O ATOM 422 CG2 THR A 28 20.629 0.873 7.270 1.00 0.00 C ATOM 0 H THR A 28 23.928 3.301 5.866 1.00 0.00 H new ATOM 0 HA THR A 28 22.216 1.140 4.991 1.00 0.00 H new ATOM 0 HB THR A 28 22.341 1.976 7.907 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.439 -0.072 6.492 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.458 0.420 8.247 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.015 1.768 7.172 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.361 0.162 6.489 1.00 0.00 H new ATOM 430 N LEU A 29 20.564 2.899 4.537 1.00 0.00 N ATOM 431 CA LEU A 29 19.605 3.935 4.184 1.00 0.00 C ATOM 432 C LEU A 29 18.326 3.795 5.003 1.00 0.00 C ATOM 433 O LEU A 29 18.065 2.746 5.591 1.00 0.00 O ATOM 434 CB LEU A 29 19.277 3.871 2.689 1.00 0.00 C ATOM 435 CG LEU A 29 20.469 4.075 1.747 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.383 2.860 1.766 1.00 0.00 C ATOM 437 CD2 LEU A 29 19.988 4.349 0.331 1.00 0.00 C ATOM 0 H LEU A 29 20.511 2.062 3.956 1.00 0.00 H new ATOM 0 HA LEU A 29 20.055 4.902 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.827 2.902 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.525 4.628 2.466 1.00 0.00 H new ATOM 0 HG LEU A 29 21.035 4.938 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.222 3.026 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.757 2.702 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.826 1.980 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.847 4.491 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.398 3.503 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.373 5.249 0.323 1.00 0.00 H new ATOM 449 N LYS A 30 17.532 4.860 5.035 1.00 0.00 N ATOM 450 CA LYS A 30 16.279 4.854 5.779 1.00 0.00 C ATOM 451 C LYS A 30 15.125 4.435 4.881 1.00 0.00 C ATOM 452 O LYS A 30 14.600 3.328 5.000 1.00 0.00 O ATOM 453 CB LYS A 30 16.001 6.239 6.369 1.00 0.00 C ATOM 454 CG LYS A 30 15.009 6.224 7.521 1.00 0.00 C ATOM 455 CD LYS A 30 15.511 5.386 8.688 1.00 0.00 C ATOM 456 CE LYS A 30 16.793 5.954 9.278 1.00 0.00 C ATOM 457 NZ LYS A 30 17.273 5.152 10.437 1.00 0.00 N ATOM 0 H LYS A 30 17.734 5.737 4.555 1.00 0.00 H new ATOM 0 HA LYS A 30 16.370 4.134 6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.940 6.672 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.621 6.890 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.828 7.245 7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.054 5.829 7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.743 5.341 9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.686 4.364 8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.566 5.980 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.622 6.983 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.148 5.571 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.546 5.148 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.460 4.176 10.130 1.00 0.00 H new ATOM 471 N TYR A 31 14.739 5.335 3.983 1.00 0.00 N ATOM 472 CA TYR A 31 13.655 5.080 3.043 1.00 0.00 C ATOM 473 C TYR A 31 12.307 4.948 3.743 1.00 0.00 C ATOM 474 O TYR A 31 12.187 4.293 4.777 1.00 0.00 O ATOM 475 CB TYR A 31 13.942 3.825 2.216 1.00 0.00 C ATOM 476 CG TYR A 31 14.719 4.105 0.950 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.978 4.691 0.997 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.191 3.786 -0.294 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.688 4.951 -0.159 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.895 4.043 -1.455 1.00 0.00 C ATOM 481 CZ TYR A 31 16.142 4.624 -1.382 1.00 0.00 C ATOM 482 OH TYR A 31 16.846 4.882 -2.536 1.00 0.00 O ATOM 0 H TYR A 31 15.166 6.256 3.887 1.00 0.00 H new ATOM 0 HA TYR A 31 13.599 5.942 2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.501 3.116 2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.998 3.347 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.409 4.948 1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.214 3.330 -0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.665 5.408 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.470 3.790 -2.415 1.00 0.00 H new ATOM 0 HH TYR A 31 16.322 4.591 -3.311 1.00 0.00 H new ATOM 492 N THR A 32 11.296 5.587 3.161 1.00 0.00 N ATOM 493 CA THR A 32 9.942 5.546 3.699 1.00 0.00 C ATOM 494 C THR A 32 9.015 4.793 2.750 1.00 0.00 C ATOM 495 O THR A 32 8.721 5.259 1.650 1.00 0.00 O ATOM 496 CB THR A 32 9.386 6.961 3.944 1.00 0.00 C ATOM 497 OG1 THR A 32 7.954 6.940 3.907 1.00 0.00 O ATOM 498 CG2 THR A 32 9.917 7.943 2.910 1.00 0.00 C ATOM 0 H THR A 32 11.392 6.143 2.311 1.00 0.00 H new ATOM 0 HA THR A 32 9.988 5.025 4.655 1.00 0.00 H new ATOM 0 HB THR A 32 9.716 7.290 4.929 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.609 7.844 4.065 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.509 8.934 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.005 7.980 2.969 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.618 7.619 1.913 1.00 0.00 H new ATOM 506 N CYS A 33 8.560 3.626 3.189 1.00 0.00 N ATOM 507 CA CYS A 33 7.683 2.784 2.383 1.00 0.00 C ATOM 508 C CYS A 33 6.373 3.482 2.031 1.00 0.00 C ATOM 509 O CYS A 33 5.623 3.934 2.894 1.00 0.00 O ATOM 510 CB CYS A 33 7.366 1.490 3.134 1.00 0.00 C ATOM 511 SG CYS A 33 8.825 0.522 3.629 1.00 0.00 S ATOM 0 H CYS A 33 8.786 3.239 4.105 1.00 0.00 H new ATOM 0 HA CYS A 33 8.213 2.569 1.455 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.790 1.735 4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.730 0.867 2.505 1.00 0.00 H new ATOM 516 N LEU A 34 6.151 3.570 0.720 1.00 0.00 N ATOM 517 CA LEU A 34 4.952 4.193 0.167 1.00 0.00 C ATOM 518 C LEU A 34 3.697 3.625 0.822 1.00 0.00 C ATOM 519 O LEU A 34 3.395 2.442 0.676 1.00 0.00 O ATOM 520 CB LEU A 34 4.889 3.982 -1.346 1.00 0.00 C ATOM 521 CG LEU A 34 6.000 4.666 -2.148 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.803 4.424 -3.636 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.041 6.158 -1.850 1.00 0.00 C ATOM 0 H LEU A 34 6.795 3.212 0.015 1.00 0.00 H new ATOM 0 HA LEU A 34 5.001 5.262 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.923 2.912 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.927 4.344 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 34 6.955 4.234 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.600 4.916 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.828 3.353 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.840 4.829 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.838 6.623 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.086 6.609 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.229 6.312 -0.787 1.00 0.00 H new ATOM 535 N PRO A 35 2.943 4.478 1.540 1.00 0.00 N ATOM 536 CA PRO A 35 1.724 4.080 2.248 1.00 0.00 C ATOM 537 C PRO A 35 0.891 3.018 1.528 1.00 0.00 C ATOM 538 O PRO A 35 0.499 3.187 0.374 1.00 0.00 O ATOM 539 CB PRO A 35 0.957 5.395 2.338 1.00 0.00 C ATOM 540 CG PRO A 35 2.019 6.432 2.473 1.00 0.00 C ATOM 541 CD PRO A 35 3.218 5.920 1.712 1.00 0.00 C ATOM 0 HA PRO A 35 1.954 3.610 3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.348 5.562 1.449 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.281 5.404 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.682 7.387 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.267 6.599 3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.326 6.423 0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.143 6.087 2.265 1.00 0.00 H new ATOM 549 N GLY A 36 0.634 1.921 2.240 1.00 0.00 N ATOM 550 CA GLY A 36 -0.178 0.854 1.682 1.00 0.00 C ATOM 551 C GLY A 36 0.382 -0.531 1.948 1.00 0.00 C ATOM 552 O GLY A 36 -0.310 -1.369 2.517 1.00 0.00 O ATOM 0 H GLY A 36 0.972 1.754 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.184 0.917 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.268 1.001 0.606 1.00 0.00 H new ATOM 556 N TYR A 37 1.630 -0.751 1.512 1.00 0.00 N ATOM 557 CA TYR A 37 2.332 -2.042 1.670 1.00 0.00 C ATOM 558 C TYR A 37 1.446 -3.181 2.163 1.00 0.00 C ATOM 559 O TYR A 37 0.840 -3.122 3.232 1.00 0.00 O ATOM 560 CB TYR A 37 3.524 -1.874 2.612 1.00 0.00 C ATOM 561 CG TYR A 37 3.483 -0.604 3.427 1.00 0.00 C ATOM 562 CD1 TYR A 37 3.849 0.616 2.868 1.00 0.00 C ATOM 563 CD2 TYR A 37 3.080 -0.625 4.755 1.00 0.00 C ATOM 564 CE1 TYR A 37 3.811 1.777 3.616 1.00 0.00 C ATOM 565 CE2 TYR A 37 3.041 0.532 5.507 1.00 0.00 C ATOM 566 CZ TYR A 37 3.408 1.730 4.935 1.00 0.00 C ATOM 567 OH TYR A 37 3.371 2.886 5.681 1.00 0.00 O ATOM 0 H TYR A 37 2.187 -0.040 1.038 1.00 0.00 H new ATOM 0 HA TYR A 37 2.663 -2.326 0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.563 -2.728 3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.443 -1.889 2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.167 0.656 1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.792 -1.562 5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.096 2.718 3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.724 0.498 6.539 1.00 0.00 H new ATOM 0 HH TYR A 37 3.064 2.680 6.589 1.00 0.00 H new ATOM 577 N VAL A 38 1.462 -4.255 1.391 1.00 0.00 N ATOM 578 CA VAL A 38 0.629 -5.401 1.712 1.00 0.00 C ATOM 579 C VAL A 38 1.365 -6.724 1.495 1.00 0.00 C ATOM 580 O VAL A 38 1.700 -7.085 0.368 1.00 0.00 O ATOM 581 CB VAL A 38 -0.664 -5.393 0.890 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.550 -6.553 1.285 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.394 -4.071 1.059 1.00 0.00 C ATOM 0 H VAL A 38 2.032 -4.357 0.552 1.00 0.00 H new ATOM 0 HA VAL A 38 0.381 -5.318 2.770 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.406 -5.506 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.464 -6.532 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.023 -7.490 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.803 -6.474 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.310 -4.083 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.642 -3.924 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.754 -3.256 0.720 1.00 0.00 H new ATOM 593 N ARG A 39 1.611 -7.438 2.591 1.00 0.00 N ATOM 594 CA ARG A 39 2.269 -8.745 2.548 1.00 0.00 C ATOM 595 C ARG A 39 3.717 -8.680 2.059 1.00 0.00 C ATOM 596 O ARG A 39 4.021 -9.119 0.951 1.00 0.00 O ATOM 597 CB ARG A 39 1.478 -9.697 1.656 1.00 0.00 C ATOM 598 CG ARG A 39 1.034 -10.970 2.359 1.00 0.00 C ATOM 599 CD ARG A 39 0.149 -10.667 3.558 1.00 0.00 C ATOM 600 NE ARG A 39 -0.382 -11.881 4.170 1.00 0.00 N ATOM 601 CZ ARG A 39 -1.065 -11.892 5.311 1.00 0.00 C ATOM 602 NH1 ARG A 39 -1.284 -10.760 5.966 1.00 0.00 N ATOM 603 NH2 ARG A 39 -1.526 -13.035 5.799 1.00 0.00 N ATOM 0 H ARG A 39 1.362 -7.130 3.531 1.00 0.00 H new ATOM 0 HA ARG A 39 2.294 -9.110 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.599 -9.177 1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.089 -9.963 0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.492 -11.604 1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.910 -11.531 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.722 -10.109 4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.677 -10.028 3.246 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.220 -12.770 3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.928 -9.879 5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.808 -10.770 6.841 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.357 -13.908 5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.050 -13.042 6.674 1.00 0.00 H new ATOM 617 N SER A 40 4.601 -8.138 2.898 1.00 0.00 N ATOM 618 CA SER A 40 6.029 -8.045 2.583 1.00 0.00 C ATOM 619 C SER A 40 6.770 -7.262 3.661 1.00 0.00 C ATOM 620 O SER A 40 7.995 -7.316 3.748 1.00 0.00 O ATOM 621 CB SER A 40 6.262 -7.384 1.222 1.00 0.00 C ATOM 622 OG SER A 40 6.171 -8.325 0.167 1.00 0.00 O ATOM 0 H SER A 40 4.351 -7.753 3.809 1.00 0.00 H new ATOM 0 HA SER A 40 6.417 -9.063 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.528 -6.593 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.245 -6.914 1.208 1.00 0.00 H new ATOM 0 HG SER A 40 5.238 -8.605 0.058 1.00 0.00 H new ATOM 628 N HIS A 41 6.016 -6.541 4.484 1.00 0.00 N ATOM 629 CA HIS A 41 6.611 -5.736 5.551 1.00 0.00 C ATOM 630 C HIS A 41 7.368 -6.599 6.552 1.00 0.00 C ATOM 631 O HIS A 41 6.881 -7.646 6.982 1.00 0.00 O ATOM 632 CB HIS A 41 5.542 -4.915 6.273 1.00 0.00 C ATOM 633 CG HIS A 41 4.241 -5.634 6.456 1.00 0.00 C ATOM 634 ND1 HIS A 41 3.184 -5.511 5.579 1.00 0.00 N ATOM 635 CD2 HIS A 41 3.824 -6.483 7.425 1.00 0.00 C ATOM 636 CE1 HIS A 41 2.174 -6.250 6.001 1.00 0.00 C ATOM 637 NE2 HIS A 41 2.536 -6.851 7.119 1.00 0.00 N ATOM 0 H HIS A 41 4.998 -6.496 4.436 1.00 0.00 H new ATOM 0 HA HIS A 41 7.324 -5.057 5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.923 -4.621 7.251 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.363 -3.998 5.712 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.397 -6.810 8.280 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.215 -6.346 5.514 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.954 -7.485 7.667 1.00 0.00 H new ATOM 646 N SER A 42 8.565 -6.144 6.922 1.00 0.00 N ATOM 647 CA SER A 42 9.402 -6.864 7.876 1.00 0.00 C ATOM 648 C SER A 42 10.656 -6.064 8.220 1.00 0.00 C ATOM 649 O SER A 42 11.353 -6.371 9.185 1.00 0.00 O ATOM 650 CB SER A 42 9.796 -8.230 7.313 1.00 0.00 C ATOM 651 OG SER A 42 10.549 -8.975 8.255 1.00 0.00 O ATOM 0 H SER A 42 8.976 -5.278 6.573 1.00 0.00 H new ATOM 0 HA SER A 42 8.823 -7.006 8.789 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.899 -8.786 7.039 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.379 -8.096 6.402 1.00 0.00 H new ATOM 0 HG SER A 42 11.088 -8.364 8.799 1.00 0.00 H new ATOM 657 N THR A 43 10.936 -5.034 7.423 1.00 0.00 N ATOM 658 CA THR A 43 12.114 -4.195 7.640 1.00 0.00 C ATOM 659 C THR A 43 11.991 -2.877 6.878 1.00 0.00 C ATOM 660 O THR A 43 10.890 -2.474 6.506 1.00 0.00 O ATOM 661 CB THR A 43 13.405 -4.912 7.196 1.00 0.00 C ATOM 662 OG1 THR A 43 13.213 -6.331 7.216 1.00 0.00 O ATOM 663 CG2 THR A 43 14.568 -4.546 8.106 1.00 0.00 C ATOM 0 H THR A 43 10.365 -4.761 6.623 1.00 0.00 H new ATOM 0 HA THR A 43 12.170 -3.994 8.710 1.00 0.00 H new ATOM 0 HB THR A 43 13.638 -4.590 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.947 -6.767 6.735 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.467 -5.064 7.773 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.734 -3.469 8.069 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.337 -4.842 9.129 1.00 0.00 H new ATOM 671 N GLN A 44 13.128 -2.210 6.650 1.00 0.00 N ATOM 672 CA GLN A 44 13.143 -0.935 5.930 1.00 0.00 C ATOM 673 C GLN A 44 14.545 -0.320 5.931 1.00 0.00 C ATOM 674 O GLN A 44 14.729 0.807 6.393 1.00 0.00 O ATOM 675 CB GLN A 44 12.150 0.038 6.575 1.00 0.00 C ATOM 676 CG GLN A 44 11.751 1.200 5.681 1.00 0.00 C ATOM 677 CD GLN A 44 10.476 1.879 6.148 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.582 1.109 6.758 1.00 0.00 O flip ATOM 679 NE2 GLN A 44 10.294 3.081 5.961 1.00 0.00 N flip ATOM 0 H GLN A 44 14.047 -2.532 6.953 1.00 0.00 H new ATOM 0 HA GLN A 44 12.852 -1.123 4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.253 -0.511 6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.588 0.433 7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.560 1.930 5.656 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.615 0.840 4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.006 3.637 5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.431 3.522 6.279 1.00 0.00 H new ATOM 688 N THR A 45 15.529 -1.051 5.397 1.00 0.00 N ATOM 689 CA THR A 45 16.908 -0.561 5.360 1.00 0.00 C ATOM 690 C THR A 45 17.725 -1.209 4.241 1.00 0.00 C ATOM 691 O THR A 45 17.552 -2.386 3.926 1.00 0.00 O ATOM 692 CB THR A 45 17.631 -0.813 6.697 1.00 0.00 C ATOM 693 OG1 THR A 45 17.439 -2.171 7.112 1.00 0.00 O ATOM 694 CG2 THR A 45 17.127 0.130 7.778 1.00 0.00 C ATOM 0 H THR A 45 15.397 -1.976 4.988 1.00 0.00 H new ATOM 0 HA THR A 45 16.837 0.510 5.172 1.00 0.00 H new ATOM 0 HB THR A 45 18.694 -0.627 6.546 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.903 -2.322 7.962 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.655 -0.070 8.711 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.306 1.161 7.474 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.058 -0.024 7.926 1.00 0.00 H new ATOM 702 N LEU A 46 18.618 -0.417 3.650 1.00 0.00 N ATOM 703 CA LEU A 46 19.493 -0.883 2.575 1.00 0.00 C ATOM 704 C LEU A 46 20.946 -0.850 3.046 1.00 0.00 C ATOM 705 O LEU A 46 21.445 0.199 3.451 1.00 0.00 O ATOM 706 CB LEU A 46 19.330 -0.008 1.327 1.00 0.00 C ATOM 707 CG LEU A 46 18.414 -0.580 0.242 1.00 0.00 C ATOM 708 CD1 LEU A 46 17.034 -0.873 0.803 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.316 0.380 -0.935 1.00 0.00 C ATOM 0 H LEU A 46 18.755 0.562 3.901 1.00 0.00 H new ATOM 0 HA LEU A 46 19.217 -1.905 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.941 0.963 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.315 0.165 0.894 1.00 0.00 H new ATOM 0 HG LEU A 46 18.847 -1.516 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.399 -1.279 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.117 -1.599 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.594 0.048 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.661 -0.043 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.909 1.332 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.308 0.540 -1.358 1.00 0.00 H new ATOM 721 N THR A 47 21.626 -1.994 2.988 1.00 0.00 N ATOM 722 CA THR A 47 23.019 -2.070 3.421 1.00 0.00 C ATOM 723 C THR A 47 23.907 -2.616 2.315 1.00 0.00 C ATOM 724 O THR A 47 23.465 -3.420 1.495 1.00 0.00 O ATOM 725 CB THR A 47 23.178 -2.973 4.659 1.00 0.00 C ATOM 726 OG1 THR A 47 22.127 -2.715 5.597 1.00 0.00 O ATOM 727 CG2 THR A 47 24.526 -2.742 5.327 1.00 0.00 C ATOM 0 H THR A 47 21.238 -2.874 2.648 1.00 0.00 H new ATOM 0 HA THR A 47 23.322 -1.053 3.672 1.00 0.00 H new ATOM 0 HB THR A 47 23.123 -4.011 4.331 1.00 0.00 H new ATOM 0 HG1 THR A 47 22.335 -1.905 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.616 -3.390 6.199 1.00 0.00 H new ATOM 0 HG22 THR A 47 25.325 -2.969 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.603 -1.701 5.640 1.00 0.00 H new ATOM 735 N CYS A 48 25.162 -2.180 2.293 1.00 0.00 N ATOM 736 CA CYS A 48 26.098 -2.659 1.292 1.00 0.00 C ATOM 737 C CYS A 48 26.690 -3.973 1.771 1.00 0.00 C ATOM 738 O CYS A 48 27.300 -4.049 2.836 1.00 0.00 O ATOM 739 CB CYS A 48 27.201 -1.632 1.034 1.00 0.00 C ATOM 740 SG CYS A 48 28.375 -2.115 -0.271 1.00 0.00 S ATOM 0 H CYS A 48 25.548 -1.503 2.951 1.00 0.00 H new ATOM 0 HA CYS A 48 25.572 -2.813 0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.742 -0.682 0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.752 -1.466 1.960 1.00 0.00 H new ATOM 745 N ASN A 49 26.488 -5.010 0.976 1.00 0.00 N ATOM 746 CA ASN A 49 27.039 -6.318 1.282 1.00 0.00 C ATOM 747 C ASN A 49 28.308 -6.540 0.464 1.00 0.00 C ATOM 748 O ASN A 49 28.677 -5.696 -0.351 1.00 0.00 O ATOM 749 CB ASN A 49 26.010 -7.406 0.978 1.00 0.00 C ATOM 750 CG ASN A 49 25.331 -7.184 -0.355 1.00 0.00 C ATOM 751 OD1 ASN A 49 24.327 -6.317 -0.362 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 25.708 -7.772 -1.365 1.00 0.00 N flip ATOM 0 H ASN A 49 25.946 -4.971 0.113 1.00 0.00 H new ATOM 0 HA ASN A 49 27.287 -6.367 2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 49 26.500 -8.379 0.978 1.00 0.00 H new ATOM 0 HB3 ASN A 49 25.260 -7.427 1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 49 26.485 -8.431 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 49 25.244 -7.602 -2.257 1.00 0.00 H new ATOM 759 N SER A 50 28.975 -7.667 0.679 1.00 0.00 N ATOM 760 CA SER A 50 30.195 -7.971 -0.064 1.00 0.00 C ATOM 761 C SER A 50 29.831 -8.649 -1.383 1.00 0.00 C ATOM 762 O SER A 50 30.169 -9.808 -1.626 1.00 0.00 O ATOM 763 CB SER A 50 31.118 -8.867 0.763 1.00 0.00 C ATOM 764 OG SER A 50 32.264 -9.246 0.020 1.00 0.00 O ATOM 0 H SER A 50 28.697 -8.380 1.354 1.00 0.00 H new ATOM 0 HA SER A 50 30.726 -7.043 -0.274 1.00 0.00 H new ATOM 0 HB2 SER A 50 31.425 -8.342 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 50 30.576 -9.758 1.080 1.00 0.00 H new ATOM 0 HG SER A 50 31.985 -9.669 -0.819 1.00 0.00 H new ATOM 770 N ASP A 51 29.131 -7.896 -2.223 1.00 0.00 N ATOM 771 CA ASP A 51 28.680 -8.365 -3.528 1.00 0.00 C ATOM 772 C ASP A 51 28.557 -7.194 -4.495 1.00 0.00 C ATOM 773 O ASP A 51 28.155 -7.359 -5.647 1.00 0.00 O ATOM 774 CB ASP A 51 27.320 -9.047 -3.397 1.00 0.00 C ATOM 775 CG ASP A 51 27.032 -9.987 -4.551 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.641 -9.499 -5.633 1.00 0.00 O ATOM 777 OD2 ASP A 51 27.199 -11.213 -4.374 1.00 0.00 O ATOM 0 H ASP A 51 28.858 -6.935 -2.016 1.00 0.00 H new ATOM 0 HA ASP A 51 29.412 -9.076 -3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 51 27.284 -9.604 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.539 -8.288 -3.346 1.00 0.00 H new ATOM 782 N GLY A 52 28.914 -6.010 -4.008 1.00 0.00 N ATOM 783 CA GLY A 52 28.813 -4.816 -4.824 1.00 0.00 C ATOM 784 C GLY A 52 27.382 -4.528 -5.235 1.00 0.00 C ATOM 785 O GLY A 52 27.117 -3.789 -6.183 1.00 0.00 O ATOM 0 H GLY A 52 29.271 -5.857 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.210 -3.964 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.430 -4.933 -5.715 1.00 0.00 H new ATOM 789 N GLU A 53 26.471 -5.140 -4.490 1.00 0.00 N ATOM 790 CA GLU A 53 25.043 -4.956 -4.714 1.00 0.00 C ATOM 791 C GLU A 53 24.330 -4.680 -3.397 1.00 0.00 C ATOM 792 O GLU A 53 24.904 -4.860 -2.324 1.00 0.00 O ATOM 793 CB GLU A 53 24.440 -6.198 -5.378 1.00 0.00 C ATOM 794 CG GLU A 53 24.125 -7.320 -4.399 1.00 0.00 C ATOM 795 CD GLU A 53 23.571 -8.556 -5.083 1.00 0.00 C ATOM 796 OE1 GLU A 53 22.567 -8.428 -5.815 1.00 0.00 O ATOM 797 OE2 GLU A 53 24.141 -9.649 -4.887 1.00 0.00 O ATOM 0 H GLU A 53 26.697 -5.771 -3.721 1.00 0.00 H new ATOM 0 HA GLU A 53 24.909 -4.101 -5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.525 -5.914 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.134 -6.569 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 53 25.031 -7.586 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.404 -6.963 -3.663 1.00 0.00 H new ATOM 804 N TRP A 54 23.084 -4.226 -3.482 1.00 0.00 N ATOM 805 CA TRP A 54 22.291 -3.948 -2.302 1.00 0.00 C ATOM 806 C TRP A 54 21.427 -5.151 -1.963 1.00 0.00 C ATOM 807 O TRP A 54 20.513 -5.519 -2.702 1.00 0.00 O ATOM 808 CB TRP A 54 21.429 -2.716 -2.545 1.00 0.00 C ATOM 809 CG TRP A 54 22.234 -1.474 -2.775 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.481 -0.863 -3.969 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.909 -0.701 -1.780 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.267 0.248 -3.776 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.543 0.368 -2.440 1.00 0.00 C ATOM 814 CE3 TRP A 54 23.036 -0.809 -0.396 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.295 1.324 -1.759 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.781 0.138 0.280 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.401 1.193 -0.402 1.00 0.00 C ATOM 0 H TRP A 54 22.604 -4.044 -4.363 1.00 0.00 H new ATOM 0 HA TRP A 54 22.951 -3.751 -1.457 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.789 -2.892 -3.409 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.773 -2.564 -1.688 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.113 -1.202 -4.926 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.592 0.880 -4.508 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.561 -1.618 0.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.775 2.137 -2.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.887 0.064 1.352 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.975 1.918 0.156 1.00 0.00 H new ATOM 828 N VAL A 55 21.743 -5.752 -0.824 1.00 0.00 N ATOM 829 CA VAL A 55 21.053 -6.934 -0.333 1.00 0.00 C ATOM 830 C VAL A 55 20.004 -6.532 0.690 1.00 0.00 C ATOM 831 O VAL A 55 20.227 -5.602 1.465 1.00 0.00 O ATOM 832 CB VAL A 55 22.056 -7.908 0.311 1.00 0.00 C ATOM 833 CG1 VAL A 55 21.423 -8.681 1.453 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.615 -8.856 -0.734 1.00 0.00 C ATOM 0 H VAL A 55 22.492 -5.429 -0.211 1.00 0.00 H new ATOM 0 HA VAL A 55 20.567 -7.430 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 55 22.876 -7.321 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 55 22.159 -9.359 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 55 21.079 -7.984 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.576 -9.256 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 55 23.323 -9.539 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.801 -9.427 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 55 23.124 -8.284 -1.510 1.00 0.00 H new ATOM 844 N TYR A 56 18.876 -7.243 0.712 1.00 0.00 N ATOM 845 CA TYR A 56 17.828 -6.952 1.689 1.00 0.00 C ATOM 846 C TYR A 56 16.528 -7.691 1.383 1.00 0.00 C ATOM 847 O TYR A 56 16.391 -8.308 0.328 1.00 0.00 O ATOM 848 CB TYR A 56 17.545 -5.446 1.750 1.00 0.00 C ATOM 849 CG TYR A 56 17.258 -4.833 0.394 1.00 0.00 C ATOM 850 CD1 TYR A 56 16.010 -4.963 -0.199 1.00 0.00 C ATOM 851 CD2 TYR A 56 18.240 -4.129 -0.295 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.745 -4.410 -1.438 1.00 0.00 C ATOM 853 CE2 TYR A 56 17.983 -3.573 -1.533 1.00 0.00 C ATOM 854 CZ TYR A 56 16.735 -3.715 -2.100 1.00 0.00 C ATOM 855 OH TYR A 56 16.476 -3.165 -3.334 1.00 0.00 O ATOM 0 H TYR A 56 18.667 -8.012 0.075 1.00 0.00 H new ATOM 0 HA TYR A 56 18.199 -7.300 2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.694 -5.270 2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.402 -4.940 2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.232 -5.506 0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 56 19.220 -4.015 0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.768 -4.522 -1.885 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.757 -3.029 -2.054 1.00 0.00 H new ATOM 0 HH TYR A 56 17.278 -2.708 -3.663 1.00 0.00 H new ATOM 865 N ASN A 57 15.577 -7.626 2.308 1.00 0.00 N ATOM 866 CA ASN A 57 14.292 -8.288 2.124 1.00 0.00 C ATOM 867 C ASN A 57 13.297 -7.344 1.460 1.00 0.00 C ATOM 868 O ASN A 57 13.593 -6.168 1.254 1.00 0.00 O ATOM 869 CB ASN A 57 13.744 -8.769 3.469 1.00 0.00 C ATOM 870 CG ASN A 57 13.571 -7.635 4.459 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.510 -7.266 5.164 1.00 0.00 O ATOM 872 ND2 ASN A 57 12.367 -7.081 4.522 1.00 0.00 N ATOM 0 H ASN A 57 15.672 -7.123 3.190 1.00 0.00 H new ATOM 0 HA ASN A 57 14.439 -9.152 1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.784 -9.261 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.420 -9.514 3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.191 -6.317 5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.618 -7.419 3.918 1.00 0.00 H new ATOM 879 N THR A 58 12.121 -7.862 1.124 1.00 0.00 N ATOM 880 CA THR A 58 11.094 -7.052 0.484 1.00 0.00 C ATOM 881 C THR A 58 10.334 -6.226 1.517 1.00 0.00 C ATOM 882 O THR A 58 9.120 -6.362 1.663 1.00 0.00 O ATOM 883 CB THR A 58 10.095 -7.922 -0.307 1.00 0.00 C ATOM 884 OG1 THR A 58 10.805 -8.825 -1.164 1.00 0.00 O ATOM 885 CG2 THR A 58 9.160 -7.058 -1.143 1.00 0.00 C ATOM 0 H THR A 58 11.857 -8.834 1.284 1.00 0.00 H new ATOM 0 HA THR A 58 11.602 -6.385 -0.212 1.00 0.00 H new ATOM 0 HB THR A 58 9.498 -8.487 0.409 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.165 -9.375 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.466 -7.697 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.599 -6.390 -0.489 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.744 -6.468 -1.849 1.00 0.00 H new ATOM 893 N PHE A 59 11.060 -5.378 2.243 1.00 0.00 N ATOM 894 CA PHE A 59 10.448 -4.528 3.256 1.00 0.00 C ATOM 895 C PHE A 59 9.253 -3.789 2.668 1.00 0.00 C ATOM 896 O PHE A 59 9.375 -3.099 1.656 1.00 0.00 O ATOM 897 CB PHE A 59 11.467 -3.531 3.811 1.00 0.00 C ATOM 898 CG PHE A 59 12.238 -2.797 2.752 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.769 -1.600 2.236 1.00 0.00 C ATOM 900 CD2 PHE A 59 13.430 -3.308 2.270 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.476 -0.927 1.260 1.00 0.00 C ATOM 902 CE2 PHE A 59 14.140 -2.641 1.293 1.00 0.00 C ATOM 903 CZ PHE A 59 13.663 -1.449 0.787 1.00 0.00 C ATOM 0 H PHE A 59 12.069 -5.263 2.147 1.00 0.00 H new ATOM 0 HA PHE A 59 10.104 -5.159 4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.947 -2.806 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.168 -4.063 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.840 -1.189 2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 59 13.809 -4.240 2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 59 12.101 0.006 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.068 -3.051 0.924 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.217 -0.925 0.022 1.00 0.00 H new ATOM 913 N CYS A 60 8.097 -3.946 3.301 1.00 0.00 N ATOM 914 CA CYS A 60 6.879 -3.308 2.823 1.00 0.00 C ATOM 915 C CYS A 60 6.619 -3.705 1.375 1.00 0.00 C ATOM 916 O CYS A 60 7.286 -4.592 0.844 1.00 0.00 O ATOM 917 CB CYS A 60 6.988 -1.789 2.938 1.00 0.00 C ATOM 918 SG CYS A 60 8.036 -1.218 4.315 1.00 0.00 S ATOM 0 H CYS A 60 7.978 -4.508 4.144 1.00 0.00 H new ATOM 0 HA CYS A 60 6.046 -3.642 3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.387 -1.393 2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.988 -1.372 3.060 1.00 0.00 H new ATOM 923 N ILE A 61 5.663 -3.037 0.735 1.00 0.00 N ATOM 924 CA ILE A 61 5.321 -3.336 -0.649 1.00 0.00 C ATOM 925 C ILE A 61 4.092 -2.535 -1.101 1.00 0.00 C ATOM 926 O ILE A 61 4.121 -1.306 -1.098 1.00 0.00 O ATOM 927 CB ILE A 61 5.108 -4.860 -0.840 1.00 0.00 C ATOM 928 CG1 ILE A 61 4.837 -5.211 -2.308 1.00 0.00 C ATOM 929 CG2 ILE A 61 3.991 -5.361 0.064 1.00 0.00 C ATOM 930 CD1 ILE A 61 4.402 -6.648 -2.516 1.00 0.00 C ATOM 0 H ILE A 61 5.113 -2.287 1.153 1.00 0.00 H new ATOM 0 HA ILE A 61 6.156 -3.032 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 61 6.030 -5.366 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.065 -4.546 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.739 -5.025 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.856 -6.432 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.251 -5.168 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.064 -4.841 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.228 -6.825 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.183 -7.320 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.482 -6.834 -1.961 1.00 0.00 H new ATOM 942 N TYR A 62 3.017 -3.224 -1.474 1.00 0.00 N ATOM 943 CA TYR A 62 1.804 -2.576 -1.943 1.00 0.00 C ATOM 944 C TYR A 62 0.639 -3.547 -2.003 1.00 0.00 C ATOM 945 O TYR A 62 0.721 -4.631 -1.434 1.00 0.00 O ATOM 946 CB TYR A 62 2.052 -1.937 -3.300 1.00 0.00 C ATOM 947 CG TYR A 62 2.029 -0.434 -3.196 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.845 0.239 -2.926 1.00 0.00 C ATOM 949 CD2 TYR A 62 3.197 0.304 -3.307 1.00 0.00 C ATOM 950 CE1 TYR A 62 0.823 1.610 -2.781 1.00 0.00 C ATOM 951 CE2 TYR A 62 3.189 1.673 -3.151 1.00 0.00 C ATOM 952 CZ TYR A 62 2.000 2.323 -2.891 1.00 0.00 C ATOM 953 OH TYR A 62 1.997 3.685 -2.711 1.00 0.00 O ATOM 0 H TYR A 62 2.966 -4.243 -1.458 1.00 0.00 H new ATOM 0 HA TYR A 62 1.534 -1.797 -1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.016 -2.264 -3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.292 -2.269 -4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.074 -0.320 -2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.127 -0.202 -3.519 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.107 2.122 -2.583 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.108 2.234 -3.232 1.00 0.00 H new ATOM 0 HH TYR A 62 1.285 3.930 -2.084 1.00 0.00 H new ATOM 963 N LYS A 63 -0.413 -3.152 -2.737 1.00 0.00 N ATOM 964 CA LYS A 63 -1.675 -3.898 -2.871 1.00 0.00 C ATOM 965 C LYS A 63 -2.819 -3.044 -2.356 1.00 0.00 C ATOM 966 O LYS A 63 -2.894 -2.733 -1.168 1.00 0.00 O ATOM 967 CB LYS A 63 -1.681 -5.248 -2.144 1.00 0.00 C ATOM 968 CG LYS A 63 -1.619 -6.449 -3.075 1.00 0.00 C ATOM 969 CD LYS A 63 -1.618 -7.755 -2.297 1.00 0.00 C ATOM 970 CE LYS A 63 -0.307 -7.959 -1.556 1.00 0.00 C ATOM 971 NZ LYS A 63 0.788 -8.380 -2.473 1.00 0.00 N ATOM 0 H LYS A 63 -0.410 -2.281 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.792 -4.120 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.832 -5.286 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.583 -5.318 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.471 -6.429 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.721 -6.389 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.444 -7.757 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.784 -8.587 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.025 -7.033 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.442 -8.713 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.648 -8.574 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.502 -9.240 -2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.980 -7.620 -3.156 1.00 0.00 H new ATOM 985 N ARG A 64 -3.706 -2.664 -3.260 1.00 0.00 N ATOM 986 CA ARG A 64 -4.848 -1.842 -2.912 1.00 0.00 C ATOM 987 C ARG A 64 -6.140 -2.564 -3.276 1.00 0.00 C ATOM 988 O ARG A 64 -6.222 -3.783 -3.145 1.00 0.00 O ATOM 989 CB ARG A 64 -4.747 -0.486 -3.613 1.00 0.00 C ATOM 990 CG ARG A 64 -4.070 -0.547 -4.972 1.00 0.00 C ATOM 991 CD ARG A 64 -2.992 0.517 -5.093 1.00 0.00 C ATOM 992 NE ARG A 64 -3.550 1.867 -5.085 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.829 2.965 -5.286 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.524 2.875 -5.509 1.00 0.00 N ATOM 995 NH2 ARG A 64 -3.412 4.156 -5.264 1.00 0.00 N ATOM 0 H ARG A 64 -3.654 -2.915 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.855 -1.665 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.749 -0.075 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.195 0.203 -2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.630 -1.533 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.812 -0.409 -5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.286 0.412 -4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.432 0.362 -6.015 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.550 1.973 -4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.071 1.961 -5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.973 3.720 -5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.415 4.230 -5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.858 4.998 -5.418 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.151 -1.829 -3.730 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.418 -2.448 -4.085 1.00 0.00 C ATOM 1011 C CYS A 65 -9.136 -1.643 -5.152 1.00 0.00 C ATOM 1012 O CYS A 65 -9.184 -0.415 -5.089 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.312 -2.570 -2.851 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.446 -2.302 -1.271 1.00 0.00 S ATOM 0 H CYS A 65 -7.117 -0.818 -3.859 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.206 -3.442 -4.480 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.126 -1.849 -2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.764 -3.562 -2.841 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.693 -2.339 -6.134 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.421 -1.673 -7.198 1.00 0.00 C ATOM 1021 C ARG A 66 -11.646 -0.980 -6.622 1.00 0.00 C ATOM 1022 O ARG A 66 -12.254 -1.455 -5.666 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.832 -2.671 -8.284 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.678 -2.057 -9.392 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.992 -0.854 -10.023 1.00 0.00 C ATOM 1026 NE ARG A 66 -11.750 -0.320 -11.151 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.299 0.638 -11.955 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -10.098 1.163 -11.758 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -12.050 1.072 -12.959 1.00 0.00 N ATOM 0 H ARG A 66 -9.654 -3.355 -6.213 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.770 -0.928 -7.656 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.934 -3.106 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.389 -3.487 -7.823 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.874 -2.807 -10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.644 -1.754 -8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.863 -0.075 -9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.995 -1.140 -10.359 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.678 -0.703 -11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.517 0.832 -10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.755 1.898 -12.377 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.975 0.671 -13.115 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.703 1.807 -13.575 1.00 0.00 H new ATOM 1043 N HIS A 67 -12.002 0.143 -7.216 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.162 0.892 -6.760 1.00 0.00 C ATOM 1045 C HIS A 67 -14.433 0.069 -6.966 1.00 0.00 C ATOM 1046 O HIS A 67 -14.683 -0.423 -8.066 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.271 2.217 -7.514 1.00 0.00 C ATOM 1048 CG HIS A 67 -14.225 3.184 -6.888 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -15.511 3.379 -7.345 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -14.073 4.014 -5.831 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -16.108 4.290 -6.597 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -15.256 4.690 -5.671 1.00 0.00 N ATOM 0 H HIS A 67 -11.511 0.556 -8.009 1.00 0.00 H new ATOM 0 HA HIS A 67 -13.043 1.103 -5.697 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.284 2.677 -7.569 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.587 2.018 -8.538 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -13.185 4.124 -5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -17.120 4.646 -6.722 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -15.447 5.389 -4.953 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.259 -0.098 -5.912 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.501 -0.868 -6.010 1.00 0.00 C ATOM 1063 C PRO A 68 -17.442 -0.265 -7.041 1.00 0.00 C ATOM 1064 O PRO A 68 -18.401 -0.907 -7.468 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.095 -0.807 -4.599 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.440 0.367 -3.953 1.00 0.00 C ATOM 1067 CD PRO A 68 -15.068 0.467 -4.565 1.00 0.00 C ATOM 0 HA PRO A 68 -16.332 -1.893 -6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.178 -0.686 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.894 -1.725 -4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.012 1.278 -4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.377 0.233 -2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.720 1.499 -4.607 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.330 -0.095 -3.993 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.163 0.967 -7.444 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.990 1.617 -8.438 1.00 0.00 C ATOM 1077 C GLY A 69 -18.999 2.566 -7.832 1.00 0.00 C ATOM 1078 O GLY A 69 -18.918 2.935 -6.660 1.00 0.00 O ATOM 0 H GLY A 69 -16.381 1.525 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.353 2.166 -9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.515 0.859 -9.019 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.955 2.948 -8.666 1.00 0.00 N ATOM 1083 CA GLU A 70 -21.001 3.866 -8.254 1.00 0.00 C ATOM 1084 C GLU A 70 -22.081 3.146 -7.462 1.00 0.00 C ATOM 1085 O GLU A 70 -22.554 2.074 -7.843 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.604 4.584 -9.461 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.675 5.598 -9.096 1.00 0.00 C ATOM 1088 CD GLU A 70 -23.258 6.294 -10.311 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -22.603 7.219 -10.836 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -24.368 5.913 -10.737 1.00 0.00 O ATOM 0 H GLU A 70 -20.026 2.634 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.549 4.615 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.808 5.090 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -22.032 3.843 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.474 5.096 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.250 6.344 -8.424 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.455 3.763 -6.353 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.496 3.245 -5.485 1.00 0.00 C ATOM 1099 C LEU A 71 -24.788 3.998 -5.793 1.00 0.00 C ATOM 1100 O LEU A 71 -25.011 5.099 -5.287 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.074 3.417 -4.019 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.166 3.188 -2.976 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -24.715 1.773 -3.059 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.639 3.478 -1.577 1.00 0.00 C ATOM 0 H LEU A 71 -22.044 4.639 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.658 2.181 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.254 2.728 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.682 4.426 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 71 -24.983 3.878 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -25.491 1.639 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -25.139 1.605 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.910 1.060 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.431 3.309 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -22.799 2.817 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -23.309 4.515 -1.520 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.636 3.397 -6.629 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.895 4.031 -7.013 1.00 0.00 C ATOM 1118 C ARG A 72 -27.757 4.257 -5.782 1.00 0.00 C ATOM 1119 O ARG A 72 -27.998 3.344 -4.992 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.640 3.215 -8.067 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.871 3.913 -8.619 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.520 3.104 -9.731 1.00 0.00 C ATOM 1123 NE ARG A 72 -28.604 2.866 -10.843 1.00 0.00 N ATOM 1124 CZ ARG A 72 -28.905 2.118 -11.900 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.096 1.540 -11.990 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -28.016 1.948 -12.869 1.00 0.00 N ATOM 0 H ARG A 72 -25.475 2.481 -7.049 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.667 4.997 -7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.960 2.992 -8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.938 2.261 -7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.591 4.072 -7.816 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.593 4.897 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.861 2.149 -9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -30.402 3.631 -10.095 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.681 3.298 -10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.783 1.669 -11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.325 0.967 -12.802 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.100 2.391 -12.804 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.248 1.374 -13.679 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.210 5.501 -5.640 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.986 5.903 -4.485 1.00 0.00 C ATOM 1142 C ASN A 73 -28.083 5.746 -3.282 1.00 0.00 C ATOM 1143 O ASN A 73 -28.489 5.215 -2.250 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.255 5.054 -4.342 1.00 0.00 C ATOM 1145 CG ASN A 73 -31.299 5.376 -5.396 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.849 5.812 -6.568 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -32.499 5.235 -5.158 1.00 0.00 N flip ATOM 0 H ASN A 73 -28.048 6.246 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.323 6.935 -4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.990 3.999 -4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.683 5.213 -3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -32.801 4.897 -4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -33.190 5.456 -5.875 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.858 6.244 -3.413 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.905 6.114 -2.339 1.00 0.00 C ATOM 1156 C GLY A 74 -24.583 6.803 -2.626 1.00 0.00 C ATOM 1157 O GLY A 74 -24.391 7.383 -3.695 1.00 0.00 O ATOM 0 H GLY A 74 -26.514 6.732 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.335 6.531 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.722 5.056 -2.150 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.673 6.727 -1.659 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.359 7.352 -1.793 1.00 0.00 C ATOM 1163 C GLN A 75 -21.293 6.543 -1.057 1.00 0.00 C ATOM 1164 O GLN A 75 -20.929 6.867 0.074 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.385 8.785 -1.253 1.00 0.00 C ATOM 1166 CG GLN A 75 -23.474 9.652 -1.864 1.00 0.00 C ATOM 1167 CD GLN A 75 -23.517 11.045 -1.269 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -23.159 11.249 -0.109 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -23.960 12.014 -2.061 1.00 0.00 N ATOM 0 H GLN A 75 -23.820 6.240 -0.775 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.109 7.377 -2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.523 8.753 -0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.417 9.250 -1.438 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -23.313 9.726 -2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -24.441 9.170 -1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -24.247 11.801 -3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -24.014 12.972 -1.714 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.810 5.481 -1.700 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.782 4.637 -1.095 1.00 0.00 C ATOM 1180 C VAL A 76 -18.644 5.490 -0.535 1.00 0.00 C ATOM 1181 O VAL A 76 -17.992 6.226 -1.277 1.00 0.00 O ATOM 1182 CB VAL A 76 -19.229 3.601 -2.099 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -19.294 4.137 -3.513 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -17.811 3.185 -1.738 1.00 0.00 C ATOM 0 H VAL A 76 -21.110 5.187 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.250 4.091 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.858 2.712 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.900 3.391 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -20.330 4.358 -3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.700 5.048 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -17.450 2.456 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -17.161 4.060 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.804 2.741 -0.743 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.409 5.399 0.768 1.00 0.00 N ATOM 1195 CA GLU A 77 -17.349 6.176 1.404 1.00 0.00 C ATOM 1196 C GLU A 77 -15.970 5.795 0.865 1.00 0.00 C ATOM 1197 O GLU A 77 -15.416 4.755 1.222 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.389 5.991 2.923 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.208 6.623 3.647 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.462 6.803 5.131 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -17.150 7.778 5.501 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.973 5.971 5.923 1.00 0.00 O ATOM 0 H GLU A 77 -18.934 4.799 1.404 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.523 7.225 1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.313 6.422 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.415 4.925 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.325 6.000 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.989 7.592 3.199 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.426 6.648 -0.001 1.00 0.00 N ATOM 1210 CA ILE A 78 -14.107 6.425 -0.585 1.00 0.00 C ATOM 1211 C ILE A 78 -13.250 7.681 -0.454 1.00 0.00 C ATOM 1212 O ILE A 78 -13.757 8.798 -0.562 1.00 0.00 O ATOM 1213 CB ILE A 78 -14.199 6.031 -2.077 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.888 4.672 -2.240 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.814 6.009 -2.712 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -14.102 3.506 -1.674 1.00 0.00 C ATOM 0 H ILE A 78 -15.882 7.505 -0.315 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.648 5.602 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.801 6.781 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.862 4.710 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -15.069 4.494 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.900 5.730 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.363 6.998 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -12.187 5.283 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.659 2.582 -1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.138 3.438 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.943 3.658 -0.606 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.954 7.495 -0.222 1.00 0.00 N ATOM 1229 CA LYS A 79 -11.038 8.621 -0.073 1.00 0.00 C ATOM 1230 C LYS A 79 -9.592 8.149 -0.021 1.00 0.00 C ATOM 1231 O LYS A 79 -8.697 8.785 -0.579 1.00 0.00 O ATOM 1232 CB LYS A 79 -11.361 9.415 1.200 1.00 0.00 C ATOM 1233 CG LYS A 79 -11.159 8.639 2.494 1.00 0.00 C ATOM 1234 CD LYS A 79 -12.197 7.542 2.671 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.136 6.942 4.066 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.030 5.760 4.205 1.00 0.00 N ATOM 0 H LYS A 79 -11.515 6.578 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.166 9.266 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.736 10.308 1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.396 9.752 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.162 8.199 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.210 9.325 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.192 7.948 2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.033 6.760 1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.110 6.649 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.419 7.698 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.803 5.985 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.428 5.514 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.485 4.954 4.572 1.00 0.00 H new ATOM 1250 N THR A 80 -9.375 7.032 0.654 1.00 0.00 N ATOM 1251 CA THR A 80 -8.043 6.471 0.806 1.00 0.00 C ATOM 1252 C THR A 80 -7.599 5.720 -0.446 1.00 0.00 C ATOM 1253 O THR A 80 -6.682 4.898 -0.394 1.00 0.00 O ATOM 1254 CB THR A 80 -7.999 5.526 2.016 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.675 4.300 1.705 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.663 6.184 3.217 1.00 0.00 C ATOM 0 H THR A 80 -10.111 6.492 1.109 1.00 0.00 H new ATOM 0 HA THR A 80 -7.355 7.302 0.964 1.00 0.00 H new ATOM 0 HB THR A 80 -6.958 5.312 2.256 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.641 3.702 2.481 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.627 5.506 4.070 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.137 7.106 3.464 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.702 6.412 2.979 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.254 6.009 -1.570 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.927 5.370 -2.844 1.00 0.00 C ATOM 1266 C ASP A 81 -8.135 3.866 -2.790 1.00 0.00 C ATOM 1267 O ASP A 81 -7.806 3.148 -3.735 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.485 5.644 -3.222 1.00 0.00 C ATOM 1269 CG ASP A 81 -6.270 7.048 -3.751 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.202 7.988 -2.932 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -6.165 7.207 -4.987 1.00 0.00 O ATOM 0 H ASP A 81 -9.017 6.684 -1.624 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.599 5.793 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.850 5.489 -2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.170 4.924 -3.978 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.667 3.404 -1.671 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.935 1.988 -1.469 1.00 0.00 C ATOM 1278 C LEU A 82 -7.647 1.188 -1.349 1.00 0.00 C ATOM 1279 O LEU A 82 -7.389 0.288 -2.147 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.765 1.461 -2.622 1.00 0.00 C ATOM 1281 CG LEU A 82 -11.139 2.098 -2.756 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.157 3.112 -3.889 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -12.172 1.022 -2.977 1.00 0.00 C ATOM 0 H LEU A 82 -8.924 3.995 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.485 1.875 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.215 1.617 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.888 0.385 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.376 2.632 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.150 3.554 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.426 3.895 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.908 2.615 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -13.157 1.478 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.936 0.473 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.170 0.337 -2.129 1.00 0.00 H new ATOM 1295 N SER A 83 -6.841 1.519 -0.359 1.00 0.00 N ATOM 1296 CA SER A 83 -5.613 0.783 -0.100 1.00 0.00 C ATOM 1297 C SER A 83 -5.933 -0.393 0.820 1.00 0.00 C ATOM 1298 O SER A 83 -6.563 -0.208 1.860 1.00 0.00 O ATOM 1299 CB SER A 83 -4.562 1.690 0.543 1.00 0.00 C ATOM 1300 OG SER A 83 -5.029 2.221 1.771 1.00 0.00 O ATOM 0 H SER A 83 -7.012 2.294 0.282 1.00 0.00 H new ATOM 0 HA SER A 83 -5.204 0.417 -1.042 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.645 1.126 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.314 2.504 -0.138 1.00 0.00 H new ATOM 0 HG SER A 83 -4.338 2.796 2.163 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.514 -1.600 0.432 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.785 -2.800 1.229 1.00 0.00 C ATOM 1308 C PHE A 84 -5.658 -2.518 2.721 1.00 0.00 C ATOM 1309 O PHE A 84 -4.820 -1.719 3.141 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.841 -3.940 0.843 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.937 -5.127 1.762 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.894 -6.106 1.555 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -4.074 -5.258 2.840 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.988 -7.195 2.402 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -4.164 -6.343 3.691 1.00 0.00 C ATOM 1316 CZ PHE A 84 -5.122 -7.313 3.472 1.00 0.00 C ATOM 0 H PHE A 84 -4.988 -1.773 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.811 -3.100 1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.064 -4.258 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.816 -3.570 0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.575 -6.018 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.322 -4.503 3.016 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.738 -7.953 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.486 -6.432 4.527 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.194 -8.162 4.136 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.489 -3.183 3.521 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.454 -2.991 4.954 1.00 0.00 C ATOM 1328 C GLY A 85 -7.210 -1.750 5.375 1.00 0.00 C ATOM 1329 O GLY A 85 -6.841 -1.092 6.348 1.00 0.00 O ATOM 0 H GLY A 85 -7.187 -3.853 3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.883 -3.863 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.418 -2.915 5.285 1.00 0.00 H new ATOM 1333 N SER A 86 -8.275 -1.427 4.642 1.00 0.00 N ATOM 1334 CA SER A 86 -9.068 -0.245 4.953 1.00 0.00 C ATOM 1335 C SER A 86 -10.562 -0.512 4.899 1.00 0.00 C ATOM 1336 O SER A 86 -11.031 -1.465 4.278 1.00 0.00 O ATOM 1337 CB SER A 86 -8.720 0.907 4.009 1.00 0.00 C ATOM 1338 OG SER A 86 -7.381 1.335 4.193 1.00 0.00 O ATOM 0 H SER A 86 -8.604 -1.962 3.838 1.00 0.00 H new ATOM 0 HA SER A 86 -8.817 0.032 5.977 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.864 0.590 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.399 1.742 4.184 1.00 0.00 H new ATOM 0 HG SER A 86 -6.814 0.943 3.497 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.289 0.365 5.574 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.737 0.283 5.644 1.00 0.00 C ATOM 1346 C GLN A 87 -13.370 1.374 4.786 1.00 0.00 C ATOM 1347 O GLN A 87 -12.946 2.530 4.826 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.192 0.404 7.104 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.618 0.904 7.281 1.00 0.00 C ATOM 1350 CD GLN A 87 -14.694 2.413 7.417 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -14.922 3.097 6.304 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -14.561 2.956 8.515 1.00 0.00 N flip ATOM 0 H GLN A 87 -10.891 1.152 6.087 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.061 -0.683 5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.100 -0.571 7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.516 1.080 7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.218 0.589 6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.054 0.441 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.387 2.391 9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.625 3.971 8.593 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.369 0.995 3.995 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.071 1.946 3.140 1.00 0.00 C ATOM 1363 C ILE A 88 -16.576 1.724 3.220 1.00 0.00 C ATOM 1364 O ILE A 88 -17.153 0.972 2.434 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.616 1.863 1.665 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.747 0.436 1.130 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.186 2.359 1.522 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.861 0.368 -0.377 1.00 0.00 C ATOM 0 H ILE A 88 -14.711 0.036 3.928 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.823 2.941 3.509 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.267 2.505 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.881 -0.144 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.625 -0.032 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.881 2.294 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.126 3.396 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.525 1.744 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -14.951 -0.673 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.743 0.921 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.972 0.807 -0.829 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.209 2.377 4.186 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.645 2.247 4.375 1.00 0.00 C ATOM 1382 C GLU A 89 -19.409 2.759 3.164 1.00 0.00 C ATOM 1383 O GLU A 89 -18.826 3.049 2.120 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.092 3.003 5.624 1.00 0.00 C ATOM 1385 CG GLU A 89 -18.752 2.282 6.912 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.277 2.997 8.142 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -18.647 3.990 8.565 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -20.317 2.565 8.682 1.00 0.00 O ATOM 0 H GLU A 89 -16.750 3.001 4.849 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.866 1.187 4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.624 3.987 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.169 3.163 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -19.166 1.274 6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.670 2.180 6.991 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.721 2.860 3.316 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.584 3.336 2.248 1.00 0.00 C ATOM 1397 C PHE A 90 -22.613 4.310 2.808 1.00 0.00 C ATOM 1398 O PHE A 90 -22.603 4.602 4.004 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.262 2.151 1.559 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.278 1.186 0.957 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.723 0.168 1.721 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.899 1.301 -0.374 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.814 -0.714 1.168 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.991 0.422 -0.930 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.448 -0.588 -0.158 1.00 0.00 C ATOM 0 H PHE A 90 -21.213 2.616 4.176 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.986 3.864 1.505 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.885 1.624 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.925 2.522 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -21.005 0.064 2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.320 2.088 -0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.390 -1.502 1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.705 0.523 -1.967 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.739 -1.278 -0.591 1.00 0.00 H new ATOM 1415 N SER A 91 -23.499 4.815 1.958 1.00 0.00 N ATOM 1416 CA SER A 91 -24.508 5.764 2.413 1.00 0.00 C ATOM 1417 C SER A 91 -25.687 5.853 1.457 1.00 0.00 C ATOM 1418 O SER A 91 -25.563 6.359 0.348 1.00 0.00 O ATOM 1419 CB SER A 91 -23.894 7.150 2.592 1.00 0.00 C ATOM 1420 OG SER A 91 -23.251 7.581 1.405 1.00 0.00 O ATOM 0 H SER A 91 -23.540 4.588 0.964 1.00 0.00 H new ATOM 0 HA SER A 91 -24.879 5.397 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.671 7.863 2.867 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.176 7.130 3.411 1.00 0.00 H new ATOM 0 HG SER A 91 -22.435 7.056 1.266 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.829 5.376 1.920 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.035 5.428 1.102 1.00 0.00 C ATOM 1428 C CYS A 92 -28.717 6.782 1.297 1.00 0.00 C ATOM 1429 O CYS A 92 -29.131 7.124 2.404 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.989 4.279 1.440 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.374 2.626 0.973 1.00 0.00 S ATOM 0 H CYS A 92 -26.950 4.955 2.841 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.756 5.313 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.186 4.290 2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.941 4.454 0.939 1.00 0.00 H new ATOM 1436 N SER A 93 -28.814 7.549 0.211 1.00 0.00 N ATOM 1437 CA SER A 93 -29.408 8.889 0.254 1.00 0.00 C ATOM 1438 C SER A 93 -30.740 8.925 0.993 1.00 0.00 C ATOM 1439 O SER A 93 -31.338 7.891 1.284 1.00 0.00 O ATOM 1440 CB SER A 93 -29.608 9.429 -1.162 1.00 0.00 C ATOM 1441 OG SER A 93 -30.258 8.476 -1.985 1.00 0.00 O ATOM 0 H SER A 93 -28.488 7.266 -0.713 1.00 0.00 H new ATOM 0 HA SER A 93 -28.707 9.517 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.198 10.345 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 93 -28.642 9.689 -1.595 1.00 0.00 H new ATOM 0 HG SER A 93 -30.375 8.847 -2.885 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.194 10.144 1.281 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.456 10.370 1.976 1.00 0.00 C ATOM 1449 C GLU A 94 -33.556 9.479 1.410 1.00 0.00 C ATOM 1450 O GLU A 94 -33.563 9.158 0.222 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.855 11.842 1.849 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.280 12.133 2.285 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.456 12.074 3.789 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -34.220 13.104 4.455 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.835 11.000 4.302 1.00 0.00 O ATOM 0 H GLU A 94 -30.696 11.001 1.038 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.324 10.119 3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.172 12.446 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.732 12.153 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.570 13.121 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.953 11.415 1.816 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.487 9.094 2.277 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.586 8.244 1.862 1.00 0.00 C ATOM 1464 C GLY A 95 -35.172 6.795 1.710 1.00 0.00 C ATOM 1465 O GLY A 95 -35.947 5.895 2.013 1.00 0.00 O ATOM 0 H GLY A 95 -34.499 9.357 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.391 8.314 2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.984 8.606 0.914 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.950 6.565 1.253 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.465 5.206 1.054 1.00 0.00 C ATOM 1471 C PHE A 96 -32.420 4.871 2.114 1.00 0.00 C ATOM 1472 O PHE A 96 -31.432 5.585 2.273 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.859 5.045 -0.346 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.705 5.614 -1.451 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -33.667 6.970 -1.743 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -34.533 4.796 -2.202 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.439 7.497 -2.760 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -35.309 5.319 -3.220 1.00 0.00 C ATOM 1479 CZ PHE A 96 -35.262 6.671 -3.499 1.00 0.00 C ATOM 0 H PHE A 96 -33.280 7.296 1.014 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.307 4.520 1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.882 5.529 -0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.694 3.985 -0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -33.026 7.622 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -34.573 3.738 -1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -34.399 8.554 -2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -35.952 4.671 -3.797 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.868 7.081 -4.294 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.652 3.787 2.849 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.732 3.368 3.899 1.00 0.00 C ATOM 1491 C PHE A 97 -30.738 2.339 3.381 1.00 0.00 C ATOM 1492 O PHE A 97 -30.901 1.779 2.297 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.502 2.818 5.102 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.254 1.547 4.828 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.442 1.569 4.114 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.785 0.333 5.303 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -35.146 0.404 3.876 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.489 -0.834 5.072 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.670 -0.799 4.357 1.00 0.00 C ATOM 0 H PHE A 97 -33.468 3.185 2.736 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.169 4.244 4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.801 2.642 5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.206 3.576 5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.822 2.508 3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.860 0.298 5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -36.068 0.435 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.115 -1.774 5.451 1.00 0.00 H new ATOM 0 HZ PHE A 97 -35.220 -1.711 4.175 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.709 2.102 4.186 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.653 1.164 3.834 1.00 0.00 C ATOM 1511 C LEU A 98 -28.981 -0.253 4.283 1.00 0.00 C ATOM 1512 O LEU A 98 -29.482 -0.471 5.387 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.330 1.615 4.452 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.090 0.869 3.954 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -26.276 0.409 2.517 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -24.863 1.755 4.076 1.00 0.00 C ATOM 0 H LEU A 98 -29.584 2.551 5.093 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.566 1.154 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.199 2.679 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.394 1.498 5.534 1.00 0.00 H new ATOM 0 HG LEU A 98 -25.947 -0.015 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -25.382 -0.119 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -27.135 -0.259 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -26.445 1.275 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -23.987 1.214 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.003 2.655 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -24.717 2.033 5.120 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.690 -1.216 3.412 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.922 -2.632 3.675 1.00 0.00 C ATOM 1530 C ILE A 99 -28.013 -3.471 2.797 1.00 0.00 C ATOM 1531 O ILE A 99 -28.149 -3.506 1.576 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.368 -3.040 3.356 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.187 -1.814 2.979 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.990 -3.766 4.537 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.439 -2.129 2.192 1.00 0.00 C ATOM 0 H ILE A 99 -28.283 -1.032 2.495 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.721 -2.798 4.733 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.361 -3.723 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.466 -1.282 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.563 -1.139 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -32.014 -4.047 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.411 -4.662 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.992 -3.110 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.967 -1.203 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.168 -2.632 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -33.086 -2.779 2.782 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.089 -4.152 3.453 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.125 -4.983 2.762 1.00 0.00 C ATOM 1549 C GLY A 100 -24.720 -4.691 3.232 1.00 0.00 C ATOM 1550 O GLY A 100 -23.851 -4.330 2.437 1.00 0.00 O ATOM 0 H GLY A 100 -26.988 -4.144 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.358 -6.034 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -26.196 -4.811 1.688 1.00 0.00 H new ATOM 1554 N SER A 101 -24.506 -4.847 4.530 1.00 0.00 N ATOM 1555 CA SER A 101 -23.210 -4.575 5.133 1.00 0.00 C ATOM 1556 C SER A 101 -22.825 -3.119 4.895 1.00 0.00 C ATOM 1557 O SER A 101 -22.301 -2.771 3.837 1.00 0.00 O ATOM 1558 CB SER A 101 -22.147 -5.511 4.560 1.00 0.00 C ATOM 1559 OG SER A 101 -22.310 -6.831 5.049 1.00 0.00 O ATOM 0 H SER A 101 -25.218 -5.162 5.189 1.00 0.00 H new ATOM 0 HA SER A 101 -23.275 -4.751 6.207 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.209 -5.513 3.472 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.155 -5.143 4.822 1.00 0.00 H new ATOM 0 HG SER A 101 -21.618 -7.410 4.666 1.00 0.00 H new ATOM 1565 N THR A 102 -23.092 -2.273 5.885 1.00 0.00 N ATOM 1566 CA THR A 102 -22.793 -0.851 5.774 1.00 0.00 C ATOM 1567 C THR A 102 -21.289 -0.609 5.735 1.00 0.00 C ATOM 1568 O THR A 102 -20.842 0.506 5.472 1.00 0.00 O ATOM 1569 CB THR A 102 -23.402 -0.057 6.946 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.775 -0.440 8.176 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.900 -0.298 7.041 1.00 0.00 C ATOM 0 H THR A 102 -23.514 -2.548 6.772 1.00 0.00 H new ATOM 0 HA THR A 102 -23.238 -0.504 4.841 1.00 0.00 H new ATOM 0 HB THR A 102 -23.230 1.004 6.765 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.166 0.070 8.915 1.00 0.00 H new ATOM 0 HG21 THR A 102 -25.308 0.273 7.875 1.00 0.00 H new ATOM 0 HG22 THR A 102 -25.379 0.020 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 102 -25.088 -1.360 7.201 1.00 0.00 H new ATOM 1579 N THR A 103 -20.513 -1.653 5.996 1.00 0.00 N ATOM 1580 CA THR A 103 -19.064 -1.538 5.968 1.00 0.00 C ATOM 1581 C THR A 103 -18.505 -2.363 4.823 1.00 0.00 C ATOM 1582 O THR A 103 -19.160 -3.285 4.337 1.00 0.00 O ATOM 1583 CB THR A 103 -18.424 -1.998 7.280 1.00 0.00 C ATOM 1584 OG1 THR A 103 -19.278 -1.679 8.386 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.077 -1.327 7.466 1.00 0.00 C ATOM 0 H THR A 103 -20.862 -2.583 6.228 1.00 0.00 H new ATOM 0 HA THR A 103 -18.824 -0.484 5.829 1.00 0.00 H new ATOM 0 HB THR A 103 -18.283 -3.078 7.238 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.859 -1.979 9.220 1.00 0.00 H new ATOM 0 HG21 THR A 103 -16.630 -1.661 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.421 -1.591 6.636 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.210 -0.245 7.493 1.00 0.00 H new ATOM 1593 N SER A 104 -17.296 -2.033 4.389 1.00 0.00 N ATOM 1594 CA SER A 104 -16.629 -2.778 3.335 1.00 0.00 C ATOM 1595 C SER A 104 -15.127 -2.808 3.610 1.00 0.00 C ATOM 1596 O SER A 104 -14.463 -1.772 3.579 1.00 0.00 O ATOM 1597 CB SER A 104 -16.909 -2.148 1.969 1.00 0.00 C ATOM 1598 OG SER A 104 -16.336 -2.913 0.924 1.00 0.00 O ATOM 0 H SER A 104 -16.756 -1.249 4.755 1.00 0.00 H new ATOM 0 HA SER A 104 -17.014 -3.798 3.321 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.985 -2.068 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.507 -1.135 1.944 1.00 0.00 H new ATOM 0 HG SER A 104 -15.409 -2.629 0.781 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.593 -3.996 3.873 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.169 -4.164 4.167 1.00 0.00 C ATOM 1606 C ARG A 105 -12.444 -4.766 2.971 1.00 0.00 C ATOM 1607 O ARG A 105 -12.996 -5.599 2.253 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.987 -5.056 5.394 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.735 -4.554 6.618 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.489 -5.441 7.828 1.00 0.00 C ATOM 1611 NE ARG A 105 -14.006 -6.793 7.632 1.00 0.00 N ATOM 1612 CZ ARG A 105 -13.974 -7.735 8.569 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.449 -7.475 9.759 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -14.467 -8.941 8.317 1.00 0.00 N ATOM 0 H ARG A 105 -15.127 -4.865 3.889 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.741 -3.183 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.328 -6.063 5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.925 -5.126 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.422 -3.535 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.803 -4.519 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.419 -5.488 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.960 -4.997 8.705 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.414 -7.027 6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.068 -6.550 9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.426 -8.200 10.476 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.871 -9.146 7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.442 -9.663 9.037 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.197 -4.358 2.780 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.403 -4.823 1.655 1.00 0.00 C ATOM 1630 C CYS A 106 -9.639 -6.086 2.009 1.00 0.00 C ATOM 1631 O CYS A 106 -8.773 -6.080 2.884 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.431 -3.733 1.211 1.00 0.00 C ATOM 1633 SG CYS A 106 -8.560 -4.103 -0.343 1.00 0.00 S ATOM 0 H CYS A 106 -10.713 -3.703 3.394 1.00 0.00 H new ATOM 0 HA CYS A 106 -11.083 -5.054 0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.979 -2.798 1.094 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.695 -3.575 1.999 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.974 -7.168 1.324 1.00 0.00 N ATOM 1639 CA GLU A 107 -9.360 -8.456 1.579 1.00 0.00 C ATOM 1640 C GLU A 107 -8.557 -8.919 0.374 1.00 0.00 C ATOM 1641 O GLU A 107 -8.696 -8.374 -0.719 1.00 0.00 O ATOM 1642 CB GLU A 107 -10.453 -9.463 1.929 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.931 -10.800 2.428 1.00 0.00 C ATOM 1644 CD GLU A 107 -9.154 -10.677 3.723 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -9.791 -10.517 4.785 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -7.907 -10.746 3.676 1.00 0.00 O ATOM 0 H GLU A 107 -10.674 -7.176 0.582 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.668 -8.370 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.099 -9.030 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -11.071 -9.633 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.769 -11.481 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.291 -11.243 1.665 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.712 -9.920 0.581 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.881 -10.427 -0.501 1.00 0.00 C ATOM 1655 C VAL A 108 -6.854 -11.946 -0.588 1.00 0.00 C ATOM 1656 O VAL A 108 -6.654 -12.650 0.402 1.00 0.00 O ATOM 1657 CB VAL A 108 -5.443 -9.898 -0.391 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.497 -10.696 -1.277 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -5.407 -8.428 -0.760 1.00 0.00 C ATOM 0 H VAL A 108 -7.585 -10.392 1.476 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.344 -10.058 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.109 -10.014 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.486 -10.300 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.508 -11.742 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.819 -10.618 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.385 -8.058 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.760 -8.301 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.050 -7.867 -0.082 1.00 0.00 H new ATOM 1669 N GLN A 109 -7.064 -12.419 -1.808 1.00 0.00 N ATOM 1670 CA GLN A 109 -7.056 -13.845 -2.091 1.00 0.00 C ATOM 1671 C GLN A 109 -5.882 -14.205 -3.001 1.00 0.00 C ATOM 1672 O GLN A 109 -5.850 -13.821 -4.170 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.386 -14.246 -2.733 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.581 -13.527 -2.119 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.848 -13.662 -2.942 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.797 -13.902 -4.148 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.998 -13.480 -2.294 1.00 0.00 N ATOM 0 H GLN A 109 -7.243 -11.831 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.935 -14.395 -1.158 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.348 -14.030 -3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.524 -15.322 -2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.761 -13.923 -1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.341 -12.470 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.994 -13.283 -1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.882 -13.538 -2.799 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.917 -14.936 -2.442 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.727 -15.355 -3.179 1.00 0.00 C ATOM 1688 C ASP A 110 -2.824 -14.167 -3.507 1.00 0.00 C ATOM 1689 O ASP A 110 -1.940 -13.815 -2.727 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.126 -16.093 -4.455 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.661 -17.483 -4.175 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -5.863 -17.605 -3.860 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -3.876 -18.451 -4.269 1.00 0.00 O ATOM 0 H ASP A 110 -4.938 -15.252 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.161 -16.034 -2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.884 -15.515 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.262 -16.165 -5.115 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.055 -13.558 -4.662 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.266 -12.412 -5.100 1.00 0.00 C ATOM 1700 C ARG A 111 -3.145 -11.388 -5.798 1.00 0.00 C ATOM 1701 O ARG A 111 -2.660 -10.380 -6.312 1.00 0.00 O ATOM 1702 CB ARG A 111 -1.144 -12.867 -6.035 1.00 0.00 C ATOM 1703 CG ARG A 111 -1.648 -13.568 -7.287 1.00 0.00 C ATOM 1704 CD ARG A 111 -0.501 -14.060 -8.153 1.00 0.00 C ATOM 1705 NE ARG A 111 0.374 -14.980 -7.432 1.00 0.00 N ATOM 1706 CZ ARG A 111 1.571 -15.356 -7.870 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.036 -14.891 -9.022 1.00 0.00 N ATOM 1708 NH2 ARG A 111 2.305 -16.199 -7.157 1.00 0.00 N ATOM 0 H ARG A 111 -3.786 -13.839 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.825 -11.944 -4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -0.550 -12.001 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -0.480 -13.540 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.278 -14.411 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.271 -12.883 -7.862 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.901 -14.558 -9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.080 -13.207 -8.504 1.00 0.00 H new ATOM 0 HE ARG A 111 0.048 -15.355 -6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.474 -14.243 -9.574 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.955 -15.181 -9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.951 -16.560 -6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.224 -16.487 -7.494 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.440 -11.657 -5.808 1.00 0.00 N ATOM 1723 CA GLY A 112 -5.382 -10.755 -6.427 1.00 0.00 C ATOM 1724 C GLY A 112 -6.394 -10.272 -5.421 1.00 0.00 C ATOM 1725 O GLY A 112 -7.293 -11.019 -5.034 1.00 0.00 O ATOM 0 H GLY A 112 -4.857 -12.491 -5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.852 -9.904 -6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.890 -11.259 -7.249 1.00 0.00 H new ATOM 1729 N VAL A 113 -6.238 -9.029 -4.983 1.00 0.00 N ATOM 1730 CA VAL A 113 -7.141 -8.457 -3.996 1.00 0.00 C ATOM 1731 C VAL A 113 -8.572 -8.864 -4.303 1.00 0.00 C ATOM 1732 O VAL A 113 -8.999 -8.858 -5.458 1.00 0.00 O ATOM 1733 CB VAL A 113 -7.021 -6.930 -3.928 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -7.351 -6.434 -2.534 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.619 -6.498 -4.341 1.00 0.00 C ATOM 0 H VAL A 113 -5.497 -8.401 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.857 -8.848 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.737 -6.488 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.261 -5.348 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.371 -6.721 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.659 -6.876 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.543 -5.412 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.887 -6.945 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.422 -6.828 -5.361 1.00 0.00 H new ATOM 1745 N GLY A 114 -9.304 -9.213 -3.262 1.00 0.00 N ATOM 1746 CA GLY A 114 -10.647 -9.686 -3.519 1.00 0.00 C ATOM 1747 C GLY A 114 -11.744 -9.136 -2.634 1.00 0.00 C ATOM 1748 O GLY A 114 -12.016 -9.713 -1.580 1.00 0.00 O ATOM 0 H GLY A 114 -9.013 -9.182 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.897 -9.454 -4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.648 -10.772 -3.427 1.00 0.00 H new ATOM 1752 N TRP A 115 -12.381 -8.032 -3.020 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.482 -7.454 -2.252 1.00 0.00 C ATOM 1754 C TRP A 115 -14.463 -8.532 -1.802 1.00 0.00 C ATOM 1755 O TRP A 115 -14.578 -9.584 -2.431 1.00 0.00 O ATOM 1756 CB TRP A 115 -14.227 -6.407 -3.090 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.645 -5.026 -3.005 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.172 -4.266 -4.038 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.481 -4.236 -1.823 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.729 -3.053 -3.565 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.903 -3.013 -2.211 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.767 -4.443 -0.473 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.607 -2.005 -1.300 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.471 -3.439 0.430 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -12.896 -2.236 0.013 1.00 0.00 C ATOM 0 H TRP A 115 -12.150 -7.516 -3.869 1.00 0.00 H new ATOM 0 HA TRP A 115 -13.055 -6.977 -1.370 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -14.228 -6.726 -4.132 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -15.267 -6.372 -2.766 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.149 -4.573 -5.073 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.334 -2.304 -4.134 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.211 -5.370 -0.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.164 -1.073 -1.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.688 -3.587 1.477 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -12.676 -1.473 0.745 1.00 0.00 H new ATOM 1776 N SER A 116 -15.171 -8.262 -0.710 1.00 0.00 N ATOM 1777 CA SER A 116 -16.142 -9.208 -0.179 1.00 0.00 C ATOM 1778 C SER A 116 -17.565 -8.800 -0.558 1.00 0.00 C ATOM 1779 O SER A 116 -18.395 -9.648 -0.889 1.00 0.00 O ATOM 1780 CB SER A 116 -16.016 -9.300 1.344 1.00 0.00 C ATOM 1781 OG SER A 116 -14.769 -9.859 1.720 1.00 0.00 O ATOM 0 H SER A 116 -15.090 -7.396 -0.177 1.00 0.00 H new ATOM 0 HA SER A 116 -15.934 -10.185 -0.615 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.119 -8.307 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.827 -9.910 1.743 1.00 0.00 H new ATOM 0 HG SER A 116 -14.713 -9.905 2.697 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.841 -7.498 -0.508 1.00 0.00 N ATOM 1788 CA HIS A 117 -19.165 -6.982 -0.846 1.00 0.00 C ATOM 1789 C HIS A 117 -19.100 -5.508 -1.244 1.00 0.00 C ATOM 1790 O HIS A 117 -18.564 -4.682 -0.504 1.00 0.00 O ATOM 1791 CB HIS A 117 -20.116 -7.153 0.337 1.00 0.00 C ATOM 1792 CG HIS A 117 -21.536 -6.800 0.023 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -22.409 -7.670 -0.597 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -22.236 -5.663 0.246 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -23.584 -7.082 -0.743 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -23.505 -5.865 -0.239 1.00 0.00 N ATOM 0 H HIS A 117 -17.166 -6.783 -0.237 1.00 0.00 H new ATOM 0 HA HIS A 117 -19.538 -7.552 -1.697 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -20.075 -8.187 0.678 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.770 -6.531 1.163 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -22.183 -8.619 -0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.866 -4.765 0.717 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -24.459 -7.523 -1.197 1.00 0.00 H new ATOM 1805 N PRO A 118 -19.648 -5.159 -2.422 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.657 -3.793 -2.922 1.00 0.00 C ATOM 1807 C PRO A 118 -20.937 -3.039 -2.573 1.00 0.00 C ATOM 1808 O PRO A 118 -21.582 -3.320 -1.562 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.558 -4.010 -4.428 1.00 0.00 C ATOM 1810 CG PRO A 118 -20.281 -5.298 -4.681 1.00 0.00 C ATOM 1811 CD PRO A 118 -20.291 -6.072 -3.380 1.00 0.00 C ATOM 0 HA PRO A 118 -18.862 -3.185 -2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.015 -3.186 -4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.519 -4.070 -4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.298 -5.107 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.784 -5.870 -5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -21.306 -6.324 -3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.743 -7.010 -3.468 1.00 0.00 H new ATOM 1819 N LEU A 119 -21.287 -2.070 -3.419 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.483 -1.257 -3.235 1.00 0.00 C ATOM 1821 C LEU A 119 -23.668 -2.111 -2.784 1.00 0.00 C ATOM 1822 O LEU A 119 -24.185 -2.920 -3.555 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.835 -0.540 -4.543 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.655 -0.158 -5.448 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.495 0.402 -4.634 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -21.213 -1.350 -6.285 1.00 0.00 C ATOM 0 H LEU A 119 -20.747 -1.829 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 119 -22.274 -0.521 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.510 -1.179 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.386 0.368 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.990 0.627 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.674 0.663 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.823 1.292 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -20.156 -0.348 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.376 -1.059 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.904 -2.162 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -22.042 -1.684 -6.909 1.00 0.00 H new ATOM 1838 N PRO A 120 -24.112 -1.943 -1.523 1.00 0.00 N ATOM 1839 CA PRO A 120 -25.243 -2.699 -0.974 1.00 0.00 C ATOM 1840 C PRO A 120 -26.551 -2.378 -1.689 1.00 0.00 C ATOM 1841 O PRO A 120 -26.549 -1.977 -2.854 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.312 -2.246 0.492 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.991 -1.611 0.768 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.545 -1.014 -0.534 1.00 0.00 C ATOM 0 HA PRO A 120 -25.104 -3.774 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.128 -1.541 0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -25.489 -3.091 1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.078 -0.846 1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.271 -2.346 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.924 -0.000 -0.666 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.459 -0.960 -0.604 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.669 -2.557 -0.991 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.981 -2.292 -1.560 1.00 0.00 C ATOM 1854 C GLN A 121 -29.626 -1.074 -0.907 1.00 0.00 C ATOM 1855 O GLN A 121 -29.925 -1.087 0.288 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.883 -3.512 -1.374 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.022 -4.373 -2.619 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.922 -5.575 -2.400 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -31.901 -5.431 -1.512 1.00 0.00 O flip ATOM 1860 NE2 GLN A 121 -30.742 -6.622 -3.023 1.00 0.00 N flip ATOM 0 H GLN A 121 -27.689 -2.886 -0.026 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.856 -2.087 -2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -29.487 -4.124 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.873 -3.176 -1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -30.422 -3.767 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -29.035 -4.715 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.978 -6.690 -3.696 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -31.357 -7.421 -2.866 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.838 -0.023 -1.692 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.467 1.180 -1.169 1.00 0.00 C ATOM 1871 C CYS A 122 -31.948 1.180 -1.527 1.00 0.00 C ATOM 1872 O CYS A 122 -32.316 1.362 -2.688 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.788 2.439 -1.712 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.120 2.743 -1.038 1.00 0.00 S ATOM 0 H CYS A 122 -29.587 0.019 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.358 1.185 -0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.720 2.362 -2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.418 3.301 -1.493 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.793 0.973 -0.523 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.235 0.933 -0.735 1.00 0.00 C ATOM 1881 C GLU A 123 -34.916 2.031 0.065 1.00 0.00 C ATOM 1882 O GLU A 123 -34.497 2.369 1.170 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.797 -0.427 -0.318 1.00 0.00 C ATOM 1884 CG GLU A 123 -34.155 -1.601 -1.035 1.00 0.00 C ATOM 1885 CD GLU A 123 -34.290 -1.513 -2.544 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -35.402 -1.761 -3.055 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -33.283 -1.199 -3.213 1.00 0.00 O ATOM 0 H GLU A 123 -32.505 0.830 0.445 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.430 1.089 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.662 -0.552 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -35.870 -0.440 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -33.098 -1.648 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -34.612 -2.527 -0.687 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.976 2.580 -0.515 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.725 3.656 0.116 1.00 0.00 C ATOM 1896 C ILE A 124 -37.510 3.154 1.324 1.00 0.00 C ATOM 1897 O ILE A 124 -37.856 1.976 1.413 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.689 4.329 -0.883 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.157 5.681 -0.341 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.878 3.424 -1.174 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -38.758 6.583 -1.397 1.00 0.00 C ATOM 0 H ILE A 124 -36.337 2.295 -1.426 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.997 4.393 0.453 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.156 4.499 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.895 5.513 0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.311 6.190 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.546 3.917 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.525 2.486 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.416 3.221 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.067 7.523 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.016 6.782 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -39.624 6.094 -1.843 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.786 4.065 2.248 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.523 3.741 3.460 1.00 0.00 C ATOM 1915 C LEU A 125 -40.022 3.675 3.180 1.00 0.00 C ATOM 1916 O LEU A 125 -40.707 2.751 3.619 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.234 4.789 4.536 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.750 4.998 4.859 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.546 6.314 5.594 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.212 3.839 5.686 1.00 0.00 C ATOM 0 H LEU A 125 -37.507 5.044 2.178 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.199 2.763 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.658 5.741 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.752 4.500 5.451 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.197 5.036 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.487 6.447 5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.892 7.137 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.113 6.302 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.157 4.007 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.769 3.769 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.323 2.910 5.126 1.00 0.00 H new