USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 688 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 35 SER OG : rot -11:sc= 0.456 USER MOD Set 1.2: A 39 LYS NZ :NH3+ 145:sc= 0.77 (180deg=0) USER MOD Set 2.1: A 23 MET CE :methyl 160:sc= 0 (180deg=0) USER MOD Set 2.2: A 74 SER OG : rot 130:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0155 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= -0.0321 (180deg=-0.134) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00899 USER MOD Single : A 27 SER OG : rot -124:sc= 1.23 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.08 K(o=1.1,f=-0.0064) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= 0.837 (180deg=0.721) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0665 X(o=-0.066,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 174:sc= -0.341 (180deg=-0.627) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.493 X(o=0.49,f=-0.0063) USER MOD Single : A 63 MET CE :methyl 170:sc= -1.53 (180deg=-2.23) USER MOD Single : A 66 CYS SG : rot 29:sc= 0.00461 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.054) USER MOD Single : A 84 SER OG : rot -78:sc= 0.669 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0602 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.979 24.779 -9.470 1.00 0.00 N ATOM 2 CA GLY A 1 12.189 24.207 -10.799 1.00 0.00 C ATOM 3 C GLY A 1 11.001 23.348 -11.161 1.00 0.00 C ATOM 4 O GLY A 1 9.865 23.807 -11.016 1.00 0.00 O ATOM 0 H1 GLY A 1 12.415 25.722 -9.425 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.959 24.860 -9.284 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.413 24.162 -8.754 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.317 25.001 -11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.102 23.611 -10.812 1.00 0.00 H new ATOM 8 N SER A 2 11.248 22.100 -11.571 1.00 0.00 N ATOM 9 CA SER A 2 10.232 21.126 -11.954 1.00 0.00 C ATOM 10 C SER A 2 9.388 21.561 -13.157 1.00 0.00 C ATOM 11 O SER A 2 9.516 22.666 -13.693 1.00 0.00 O ATOM 12 CB SER A 2 9.365 20.785 -10.727 1.00 0.00 C ATOM 13 OG SER A 2 10.174 20.191 -9.725 1.00 0.00 O ATOM 0 H SER A 2 12.196 21.731 -11.647 1.00 0.00 H new ATOM 0 HA SER A 2 10.746 20.226 -12.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.893 21.688 -10.340 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.563 20.104 -11.013 1.00 0.00 H new ATOM 0 HG SER A 2 9.622 19.976 -8.944 1.00 0.00 H new ATOM 19 N SER A 3 8.544 20.649 -13.618 1.00 0.00 N ATOM 20 CA SER A 3 7.631 20.830 -14.730 1.00 0.00 C ATOM 21 C SER A 3 6.221 20.555 -14.206 1.00 0.00 C ATOM 22 O SER A 3 6.049 20.086 -13.072 1.00 0.00 O ATOM 23 CB SER A 3 8.032 19.873 -15.861 1.00 0.00 C ATOM 24 OG SER A 3 9.293 20.225 -16.395 1.00 0.00 O ATOM 0 H SER A 3 8.477 19.719 -13.205 1.00 0.00 H new ATOM 0 HA SER A 3 7.665 21.841 -15.136 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.065 18.851 -15.484 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.279 19.898 -16.649 1.00 0.00 H new ATOM 0 HG SER A 3 9.530 19.601 -17.113 1.00 0.00 H new ATOM 30 N GLY A 4 5.199 20.873 -14.995 1.00 0.00 N ATOM 31 CA GLY A 4 3.821 20.637 -14.600 1.00 0.00 C ATOM 32 C GLY A 4 3.599 19.132 -14.601 1.00 0.00 C ATOM 33 O GLY A 4 3.303 18.554 -13.557 1.00 0.00 O ATOM 0 H GLY A 4 5.304 21.297 -15.917 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.629 21.053 -13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.134 21.127 -15.291 1.00 0.00 H new ATOM 37 N SER A 5 3.803 18.492 -15.756 1.00 0.00 N ATOM 38 CA SER A 5 3.644 17.052 -15.893 1.00 0.00 C ATOM 39 C SER A 5 4.572 16.350 -14.897 1.00 0.00 C ATOM 40 O SER A 5 5.750 16.721 -14.759 1.00 0.00 O ATOM 41 CB SER A 5 3.921 16.670 -17.347 1.00 0.00 C ATOM 42 OG SER A 5 3.612 15.318 -17.623 1.00 0.00 O ATOM 0 H SER A 5 4.082 18.962 -16.617 1.00 0.00 H new ATOM 0 HA SER A 5 2.628 16.733 -15.659 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.338 17.314 -18.005 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.972 16.852 -17.573 1.00 0.00 H new ATOM 0 HG SER A 5 3.804 15.124 -18.564 1.00 0.00 H new ATOM 48 N SER A 6 4.038 15.333 -14.224 1.00 0.00 N ATOM 49 CA SER A 6 4.706 14.537 -13.208 1.00 0.00 C ATOM 50 C SER A 6 4.066 13.141 -13.142 1.00 0.00 C ATOM 51 O SER A 6 3.074 12.895 -13.835 1.00 0.00 O ATOM 52 CB SER A 6 4.559 15.314 -11.888 1.00 0.00 C ATOM 53 OG SER A 6 3.224 15.739 -11.658 1.00 0.00 O ATOM 0 H SER A 6 3.077 15.030 -14.384 1.00 0.00 H new ATOM 0 HA SER A 6 5.762 14.380 -13.427 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.885 14.684 -11.060 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.217 16.183 -11.906 1.00 0.00 H new ATOM 0 HG SER A 6 3.178 16.226 -10.809 1.00 0.00 H new ATOM 59 N GLY A 7 4.595 12.234 -12.317 1.00 0.00 N ATOM 60 CA GLY A 7 4.083 10.876 -12.152 1.00 0.00 C ATOM 61 C GLY A 7 5.039 9.847 -12.732 1.00 0.00 C ATOM 62 O GLY A 7 4.794 9.311 -13.817 1.00 0.00 O ATOM 0 H GLY A 7 5.409 12.430 -11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.925 10.672 -11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.113 10.790 -12.641 1.00 0.00 H new ATOM 66 N PHE A 8 6.145 9.591 -12.026 1.00 0.00 N ATOM 67 CA PHE A 8 7.135 8.613 -12.463 1.00 0.00 C ATOM 68 C PHE A 8 6.494 7.226 -12.457 1.00 0.00 C ATOM 69 O PHE A 8 5.620 6.932 -11.636 1.00 0.00 O ATOM 70 CB PHE A 8 8.370 8.637 -11.546 1.00 0.00 C ATOM 71 CG PHE A 8 9.425 9.644 -11.959 1.00 0.00 C ATOM 72 CD1 PHE A 8 9.375 10.969 -11.489 1.00 0.00 C ATOM 73 CD2 PHE A 8 10.449 9.259 -12.847 1.00 0.00 C ATOM 74 CE1 PHE A 8 10.339 11.903 -11.910 1.00 0.00 C ATOM 75 CE2 PHE A 8 11.400 10.198 -13.282 1.00 0.00 C ATOM 76 CZ PHE A 8 11.341 11.523 -12.817 1.00 0.00 C ATOM 0 H PHE A 8 6.374 10.052 -11.146 1.00 0.00 H new ATOM 0 HA PHE A 8 7.466 8.861 -13.471 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.050 8.859 -10.528 1.00 0.00 H new ATOM 0 HB3 PHE A 8 8.817 7.643 -11.530 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.596 11.269 -10.804 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.503 8.238 -13.195 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.308 12.915 -11.534 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.175 9.902 -13.973 1.00 0.00 H new ATOM 0 HZ PHE A 8 12.066 12.248 -13.157 1.00 0.00 H new ATOM 86 N GLU A 9 6.969 6.349 -13.332 1.00 0.00 N ATOM 87 CA GLU A 9 6.497 4.982 -13.476 1.00 0.00 C ATOM 88 C GLU A 9 7.730 4.066 -13.464 1.00 0.00 C ATOM 89 O GLU A 9 8.108 3.529 -14.508 1.00 0.00 O ATOM 90 CB GLU A 9 5.650 4.911 -14.758 1.00 0.00 C ATOM 91 CG GLU A 9 4.837 3.622 -14.886 1.00 0.00 C ATOM 92 CD GLU A 9 3.935 3.674 -16.122 1.00 0.00 C ATOM 93 OE1 GLU A 9 4.388 3.329 -17.237 1.00 0.00 O ATOM 94 OE2 GLU A 9 2.754 4.082 -15.988 1.00 0.00 O ATOM 0 H GLU A 9 7.720 6.580 -13.983 1.00 0.00 H new ATOM 0 HA GLU A 9 5.852 4.649 -12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.970 5.763 -14.782 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.307 5.003 -15.623 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.509 2.767 -14.956 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.230 3.478 -13.992 1.00 0.00 H new ATOM 101 N PRO A 10 8.418 3.914 -12.314 1.00 0.00 N ATOM 102 CA PRO A 10 9.603 3.076 -12.229 1.00 0.00 C ATOM 103 C PRO A 10 9.242 1.594 -12.337 1.00 0.00 C ATOM 104 O PRO A 10 8.209 1.151 -11.820 1.00 0.00 O ATOM 105 CB PRO A 10 10.245 3.421 -10.885 1.00 0.00 C ATOM 106 CG PRO A 10 9.067 3.842 -10.010 1.00 0.00 C ATOM 107 CD PRO A 10 8.105 4.488 -11.009 1.00 0.00 C ATOM 0 HA PRO A 10 10.295 3.259 -13.051 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.770 2.565 -10.462 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.975 4.225 -10.986 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.613 2.988 -9.508 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.372 4.543 -9.233 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.069 4.288 -10.735 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.228 5.571 -11.022 1.00 0.00 H new ATOM 115 N ARG A 11 10.091 0.800 -12.991 1.00 0.00 N ATOM 116 CA ARG A 11 9.880 -0.631 -13.174 1.00 0.00 C ATOM 117 C ARG A 11 11.228 -1.311 -13.326 1.00 0.00 C ATOM 118 O ARG A 11 11.863 -1.188 -14.375 1.00 0.00 O ATOM 119 CB ARG A 11 8.957 -0.882 -14.386 1.00 0.00 C ATOM 120 CG ARG A 11 8.236 -2.226 -14.233 1.00 0.00 C ATOM 121 CD ARG A 11 7.344 -2.551 -15.437 1.00 0.00 C ATOM 122 NE ARG A 11 6.457 -3.697 -15.167 1.00 0.00 N ATOM 123 CZ ARG A 11 5.310 -3.656 -14.473 1.00 0.00 C ATOM 124 NH1 ARG A 11 4.874 -2.536 -13.916 1.00 0.00 N ATOM 125 NH2 ARG A 11 4.566 -4.743 -14.319 1.00 0.00 N ATOM 0 H ARG A 11 10.955 1.140 -13.413 1.00 0.00 H new ATOM 0 HA ARG A 11 9.381 -1.056 -12.303 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.227 -0.077 -14.469 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.543 -0.878 -15.305 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.974 -3.019 -14.106 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.628 -2.208 -13.328 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.743 -1.678 -15.690 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.968 -2.771 -16.303 1.00 0.00 H new ATOM 0 HE ARG A 11 6.741 -4.602 -15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.414 -1.676 -14.010 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.998 -2.534 -13.394 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.863 -5.627 -14.731 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.696 -4.695 -13.788 1.00 0.00 H new ATOM 139 N SER A 12 11.694 -2.016 -12.301 1.00 0.00 N ATOM 140 CA SER A 12 12.973 -2.721 -12.302 1.00 0.00 C ATOM 141 C SER A 12 12.839 -3.997 -11.468 1.00 0.00 C ATOM 142 O SER A 12 11.726 -4.373 -11.091 1.00 0.00 O ATOM 143 CB SER A 12 14.083 -1.822 -11.733 1.00 0.00 C ATOM 144 OG SER A 12 14.008 -0.478 -12.184 1.00 0.00 O ATOM 0 H SER A 12 11.181 -2.116 -11.425 1.00 0.00 H new ATOM 0 HA SER A 12 13.243 -2.982 -13.325 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.029 -1.835 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.053 -2.236 -12.009 1.00 0.00 H new ATOM 0 HG SER A 12 14.738 0.042 -11.787 1.00 0.00 H new ATOM 150 N LEU A 13 13.959 -4.666 -11.188 1.00 0.00 N ATOM 151 CA LEU A 13 14.041 -5.875 -10.388 1.00 0.00 C ATOM 152 C LEU A 13 15.169 -5.682 -9.381 1.00 0.00 C ATOM 153 O LEU A 13 16.302 -5.409 -9.781 1.00 0.00 O ATOM 154 CB LEU A 13 14.292 -7.104 -11.267 1.00 0.00 C ATOM 155 CG LEU A 13 14.415 -8.398 -10.438 1.00 0.00 C ATOM 156 CD1 LEU A 13 13.130 -8.728 -9.666 1.00 0.00 C ATOM 157 CD2 LEU A 13 14.765 -9.548 -11.381 1.00 0.00 C ATOM 0 H LEU A 13 14.870 -4.361 -11.531 1.00 0.00 H new ATOM 0 HA LEU A 13 13.097 -6.050 -9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.477 -7.209 -11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 13 15.205 -6.956 -11.844 1.00 0.00 H new ATOM 0 HG LEU A 13 15.199 -8.252 -9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.272 -9.648 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.897 -7.913 -8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.307 -8.858 -10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.856 -10.472 -10.810 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.978 -9.659 -12.128 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.711 -9.335 -11.879 1.00 0.00 H new ATOM 169 N ILE A 14 14.863 -5.804 -8.095 1.00 0.00 N ATOM 170 CA ILE A 14 15.800 -5.684 -6.983 1.00 0.00 C ATOM 171 C ILE A 14 15.782 -7.048 -6.280 1.00 0.00 C ATOM 172 O ILE A 14 15.779 -8.072 -6.965 1.00 0.00 O ATOM 173 CB ILE A 14 15.471 -4.448 -6.101 1.00 0.00 C ATOM 174 CG1 ILE A 14 14.072 -4.479 -5.434 1.00 0.00 C ATOM 175 CG2 ILE A 14 15.625 -3.157 -6.930 1.00 0.00 C ATOM 176 CD1 ILE A 14 13.997 -3.589 -4.188 1.00 0.00 C ATOM 0 H ILE A 14 13.911 -5.998 -7.784 1.00 0.00 H new ATOM 0 HA ILE A 14 16.824 -5.476 -7.295 1.00 0.00 H new ATOM 0 HB ILE A 14 16.189 -4.474 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.322 -4.154 -6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.826 -5.505 -5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 14 15.393 -2.294 -6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.650 -3.078 -7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.941 -3.186 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.997 -3.647 -3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.727 -3.929 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.214 -2.557 -4.464 1.00 0.00 H new ATOM 188 N THR A 15 15.890 -7.089 -4.959 1.00 0.00 N ATOM 189 CA THR A 15 15.839 -8.282 -4.134 1.00 0.00 C ATOM 190 C THR A 15 14.860 -7.912 -3.010 1.00 0.00 C ATOM 191 O THR A 15 14.647 -6.722 -2.736 1.00 0.00 O ATOM 192 CB THR A 15 17.245 -8.735 -3.690 1.00 0.00 C ATOM 193 OG1 THR A 15 17.155 -9.940 -2.957 1.00 0.00 O ATOM 194 CG2 THR A 15 18.009 -7.703 -2.857 1.00 0.00 C ATOM 0 H THR A 15 16.023 -6.242 -4.406 1.00 0.00 H new ATOM 0 HA THR A 15 15.482 -9.170 -4.655 1.00 0.00 H new ATOM 0 HB THR A 15 17.811 -8.872 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.052 -10.222 -2.680 1.00 0.00 H new ATOM 0 HG21 THR A 15 18.986 -8.104 -2.588 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.139 -6.790 -3.438 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.447 -7.479 -1.950 1.00 0.00 H new ATOM 202 N SER A 16 14.270 -8.912 -2.365 1.00 0.00 N ATOM 203 CA SER A 16 13.304 -8.712 -1.298 1.00 0.00 C ATOM 204 C SER A 16 13.546 -9.715 -0.180 1.00 0.00 C ATOM 205 O SER A 16 14.064 -10.812 -0.422 1.00 0.00 O ATOM 206 CB SER A 16 11.904 -8.918 -1.870 1.00 0.00 C ATOM 207 OG SER A 16 11.630 -8.035 -2.946 1.00 0.00 O ATOM 0 H SER A 16 14.453 -9.894 -2.573 1.00 0.00 H new ATOM 0 HA SER A 16 13.405 -7.705 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.801 -9.948 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.166 -8.768 -1.082 1.00 0.00 H new ATOM 0 HG SER A 16 10.725 -8.201 -3.283 1.00 0.00 H new ATOM 213 N ASP A 17 13.183 -9.333 1.044 1.00 0.00 N ATOM 214 CA ASP A 17 13.345 -10.192 2.211 1.00 0.00 C ATOM 215 C ASP A 17 12.306 -11.304 2.120 1.00 0.00 C ATOM 216 O ASP A 17 11.136 -11.051 1.825 1.00 0.00 O ATOM 217 CB ASP A 17 13.143 -9.426 3.522 1.00 0.00 C ATOM 218 CG ASP A 17 14.305 -8.505 3.883 1.00 0.00 C ATOM 219 OD1 ASP A 17 15.484 -8.911 3.769 1.00 0.00 O ATOM 220 OD2 ASP A 17 14.029 -7.383 4.370 1.00 0.00 O ATOM 0 H ASP A 17 12.771 -8.423 1.252 1.00 0.00 H new ATOM 0 HA ASP A 17 14.361 -10.587 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.231 -8.833 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.994 -10.142 4.331 1.00 0.00 H new ATOM 225 N LYS A 18 12.698 -12.543 2.415 1.00 0.00 N ATOM 226 CA LYS A 18 11.828 -13.719 2.373 1.00 0.00 C ATOM 227 C LYS A 18 10.901 -13.761 3.603 1.00 0.00 C ATOM 228 O LYS A 18 10.908 -14.744 4.348 1.00 0.00 O ATOM 229 CB LYS A 18 12.697 -14.983 2.243 1.00 0.00 C ATOM 230 CG LYS A 18 13.601 -14.975 0.995 1.00 0.00 C ATOM 231 CD LYS A 18 14.425 -16.266 0.867 1.00 0.00 C ATOM 232 CE LYS A 18 13.788 -17.341 -0.025 1.00 0.00 C ATOM 233 NZ LYS A 18 12.503 -17.848 0.493 1.00 0.00 N ATOM 0 H LYS A 18 13.653 -12.763 2.697 1.00 0.00 H new ATOM 0 HA LYS A 18 11.174 -13.667 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.319 -15.081 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.049 -15.859 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.986 -14.849 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.274 -14.119 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.408 -16.017 0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.581 -16.683 1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.632 -16.929 -1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.483 -18.174 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.186 -18.650 -0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.625 -18.161 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.791 -17.091 0.456 1.00 0.00 H new ATOM 247 N GLY A 19 10.107 -12.717 3.837 1.00 0.00 N ATOM 248 CA GLY A 19 9.202 -12.645 4.973 1.00 0.00 C ATOM 249 C GLY A 19 8.055 -11.687 4.701 1.00 0.00 C ATOM 250 O GLY A 19 7.047 -12.084 4.106 1.00 0.00 O ATOM 0 H GLY A 19 10.077 -11.893 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.807 -13.637 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.749 -12.319 5.858 1.00 0.00 H new ATOM 254 N PHE A 20 8.183 -10.446 5.161 1.00 0.00 N ATOM 255 CA PHE A 20 7.182 -9.402 5.002 1.00 0.00 C ATOM 256 C PHE A 20 7.756 -8.219 4.248 1.00 0.00 C ATOM 257 O PHE A 20 8.973 -8.013 4.180 1.00 0.00 O ATOM 258 CB PHE A 20 6.619 -8.979 6.368 1.00 0.00 C ATOM 259 CG PHE A 20 5.390 -9.778 6.739 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.523 -11.068 7.276 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.110 -9.245 6.513 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.382 -11.828 7.579 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.966 -10.011 6.798 1.00 0.00 C ATOM 264 CZ PHE A 20 3.104 -11.306 7.325 1.00 0.00 C ATOM 0 H PHE A 20 9.010 -10.132 5.669 1.00 0.00 H new ATOM 0 HA PHE A 20 6.357 -9.801 4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.384 -9.111 7.133 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.370 -7.918 6.346 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.506 -11.477 7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.005 -8.245 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.488 -12.814 8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.983 -9.605 6.612 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.227 -11.900 7.535 1.00 0.00 H new ATOM 274 N VAL A 21 6.833 -7.431 3.713 1.00 0.00 N ATOM 275 CA VAL A 21 7.091 -6.247 2.936 1.00 0.00 C ATOM 276 C VAL A 21 6.016 -5.218 3.289 1.00 0.00 C ATOM 277 O VAL A 21 4.927 -5.563 3.768 1.00 0.00 O ATOM 278 CB VAL A 21 7.143 -6.663 1.450 1.00 0.00 C ATOM 279 CG1 VAL A 21 5.920 -7.451 0.952 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.336 -5.467 0.527 1.00 0.00 C ATOM 0 H VAL A 21 5.836 -7.618 3.820 1.00 0.00 H new ATOM 0 HA VAL A 21 8.049 -5.774 3.153 1.00 0.00 H new ATOM 0 HB VAL A 21 8.005 -7.329 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.050 -7.697 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.819 -8.370 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.022 -6.845 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.367 -5.807 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.507 -4.771 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.272 -4.966 0.772 1.00 0.00 H new ATOM 290 N THR A 22 6.355 -3.945 3.132 1.00 0.00 N ATOM 291 CA THR A 22 5.457 -2.837 3.394 1.00 0.00 C ATOM 292 C THR A 22 4.922 -2.383 2.031 1.00 0.00 C ATOM 293 O THR A 22 5.599 -2.493 1.012 1.00 0.00 O ATOM 294 CB THR A 22 6.232 -1.737 4.138 1.00 0.00 C ATOM 295 OG1 THR A 22 6.806 -2.257 5.330 1.00 0.00 O ATOM 296 CG2 THR A 22 5.343 -0.556 4.544 1.00 0.00 C ATOM 0 H THR A 22 7.279 -3.653 2.813 1.00 0.00 H new ATOM 0 HA THR A 22 4.615 -3.106 4.031 1.00 0.00 H new ATOM 0 HB THR A 22 6.995 -1.388 3.443 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.298 -1.547 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.944 0.189 5.065 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.903 -0.109 3.653 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.549 -0.908 5.203 1.00 0.00 H new ATOM 304 N MET A 23 3.694 -1.886 1.996 1.00 0.00 N ATOM 305 CA MET A 23 3.017 -1.389 0.809 1.00 0.00 C ATOM 306 C MET A 23 2.639 0.061 1.092 1.00 0.00 C ATOM 307 O MET A 23 2.541 0.478 2.252 1.00 0.00 O ATOM 308 CB MET A 23 1.779 -2.254 0.528 1.00 0.00 C ATOM 309 CG MET A 23 2.060 -3.452 -0.388 1.00 0.00 C ATOM 310 SD MET A 23 1.944 -3.068 -2.156 1.00 0.00 S ATOM 311 CE MET A 23 2.057 -4.723 -2.880 1.00 0.00 C ATOM 0 H MET A 23 3.117 -1.815 2.834 1.00 0.00 H new ATOM 0 HA MET A 23 3.652 -1.439 -0.075 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.378 -2.617 1.474 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.008 -1.632 0.073 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.058 -3.834 -0.174 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.356 -4.250 -0.153 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.655 -4.705 -3.893 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.100 -5.037 -2.909 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.483 -5.425 -2.275 1.00 0.00 H new ATOM 321 N THR A 24 2.442 0.839 0.035 1.00 0.00 N ATOM 322 CA THR A 24 2.066 2.242 0.116 1.00 0.00 C ATOM 323 C THR A 24 0.973 2.448 -0.928 1.00 0.00 C ATOM 324 O THR A 24 1.056 1.904 -2.032 1.00 0.00 O ATOM 325 CB THR A 24 3.290 3.149 -0.111 1.00 0.00 C ATOM 326 OG1 THR A 24 4.502 2.519 0.253 1.00 0.00 O ATOM 327 CG2 THR A 24 3.229 4.419 0.729 1.00 0.00 C ATOM 0 H THR A 24 2.542 0.503 -0.923 1.00 0.00 H new ATOM 0 HA THR A 24 1.691 2.510 1.104 1.00 0.00 H new ATOM 0 HB THR A 24 3.265 3.373 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.250 3.131 0.090 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.113 5.026 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.335 4.985 0.468 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.195 4.155 1.786 1.00 0.00 H new ATOM 335 N LEU A 25 -0.067 3.212 -0.592 1.00 0.00 N ATOM 336 CA LEU A 25 -1.194 3.488 -1.472 1.00 0.00 C ATOM 337 C LEU A 25 -1.512 4.979 -1.383 1.00 0.00 C ATOM 338 O LEU A 25 -1.928 5.440 -0.320 1.00 0.00 O ATOM 339 CB LEU A 25 -2.368 2.593 -1.030 1.00 0.00 C ATOM 340 CG LEU A 25 -3.581 2.666 -1.968 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.333 1.904 -3.273 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.814 2.073 -1.279 1.00 0.00 C ATOM 0 H LEU A 25 -0.147 3.664 0.319 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.978 3.261 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.025 1.560 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.677 2.883 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.747 3.717 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.214 1.979 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.474 2.335 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.134 0.856 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.669 2.129 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.622 1.031 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.029 2.636 -0.371 1.00 0.00 H new ATOM 354 N GLU A 26 -1.202 5.748 -2.428 1.00 0.00 N ATOM 355 CA GLU A 26 -1.457 7.192 -2.477 1.00 0.00 C ATOM 356 C GLU A 26 -2.863 7.450 -3.028 1.00 0.00 C ATOM 357 O GLU A 26 -3.372 6.642 -3.801 1.00 0.00 O ATOM 358 CB GLU A 26 -0.408 7.911 -3.345 1.00 0.00 C ATOM 359 CG GLU A 26 1.018 7.798 -2.778 1.00 0.00 C ATOM 360 CD GLU A 26 1.938 8.926 -3.273 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.280 8.969 -4.477 1.00 0.00 O ATOM 362 OE2 GLU A 26 2.325 9.794 -2.453 1.00 0.00 O ATOM 0 H GLU A 26 -0.762 5.384 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.386 7.589 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.428 7.492 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.676 8.964 -3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.976 7.819 -1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.443 6.835 -3.062 1.00 0.00 H new ATOM 369 N SER A 27 -3.469 8.574 -2.644 1.00 0.00 N ATOM 370 CA SER A 27 -4.801 9.003 -3.051 1.00 0.00 C ATOM 371 C SER A 27 -4.713 10.209 -3.982 1.00 0.00 C ATOM 372 O SER A 27 -3.686 10.892 -4.080 1.00 0.00 O ATOM 373 CB SER A 27 -5.586 9.377 -1.782 1.00 0.00 C ATOM 374 OG SER A 27 -6.959 9.650 -1.986 1.00 0.00 O ATOM 0 H SER A 27 -3.022 9.238 -2.012 1.00 0.00 H new ATOM 0 HA SER A 27 -5.303 8.199 -3.589 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.496 8.562 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.120 10.253 -1.330 1.00 0.00 H new ATOM 0 HG SER A 27 -7.169 10.545 -1.645 1.00 0.00 H new ATOM 380 N LEU A 28 -5.823 10.490 -4.661 1.00 0.00 N ATOM 381 CA LEU A 28 -5.950 11.618 -5.561 1.00 0.00 C ATOM 382 C LEU A 28 -6.036 12.885 -4.707 1.00 0.00 C ATOM 383 O LEU A 28 -5.448 13.904 -5.079 1.00 0.00 O ATOM 384 CB LEU A 28 -7.208 11.465 -6.446 1.00 0.00 C ATOM 385 CG LEU A 28 -6.906 11.611 -7.946 1.00 0.00 C ATOM 386 CD1 LEU A 28 -8.149 11.290 -8.778 1.00 0.00 C ATOM 387 CD2 LEU A 28 -6.450 13.025 -8.306 1.00 0.00 C ATOM 0 H LEU A 28 -6.670 9.926 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.090 11.673 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.657 10.489 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.944 12.214 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.102 10.909 -8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.916 11.399 -9.837 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.465 10.266 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.953 11.976 -8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.248 13.081 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.234 13.737 -8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.543 13.267 -7.752 1.00 0.00 H new ATOM 399 N GLU A 29 -6.768 12.832 -3.583 1.00 0.00 N ATOM 400 CA GLU A 29 -6.983 13.934 -2.644 1.00 0.00 C ATOM 401 C GLU A 29 -7.213 13.373 -1.223 1.00 0.00 C ATOM 402 O GLU A 29 -7.402 12.162 -1.050 1.00 0.00 O ATOM 403 CB GLU A 29 -8.167 14.811 -3.125 1.00 0.00 C ATOM 404 CG GLU A 29 -7.840 15.594 -4.412 1.00 0.00 C ATOM 405 CD GLU A 29 -8.796 16.740 -4.749 1.00 0.00 C ATOM 406 OE1 GLU A 29 -8.714 17.806 -4.095 1.00 0.00 O ATOM 407 OE2 GLU A 29 -9.480 16.670 -5.792 1.00 0.00 O ATOM 0 H GLU A 29 -7.246 11.978 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.098 14.570 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.036 14.177 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.439 15.513 -2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.832 16.000 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.830 14.895 -5.248 1.00 0.00 H new ATOM 414 N GLU A 30 -7.226 14.263 -0.224 1.00 0.00 N ATOM 415 CA GLU A 30 -7.406 14.040 1.214 1.00 0.00 C ATOM 416 C GLU A 30 -8.607 13.155 1.541 1.00 0.00 C ATOM 417 O GLU A 30 -9.726 13.381 1.073 1.00 0.00 O ATOM 418 CB GLU A 30 -7.587 15.425 1.894 1.00 0.00 C ATOM 419 CG GLU A 30 -7.902 15.400 3.406 1.00 0.00 C ATOM 420 CD GLU A 30 -8.444 16.719 3.976 1.00 0.00 C ATOM 421 OE1 GLU A 30 -7.652 17.569 4.449 1.00 0.00 O ATOM 422 OE2 GLU A 30 -9.687 16.850 4.110 1.00 0.00 O ATOM 0 H GLU A 30 -7.098 15.255 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.525 13.516 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.676 16.004 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.391 15.956 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.630 14.612 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.994 15.133 3.947 1.00 0.00 H new ATOM 429 N ILE A 31 -8.386 12.183 2.419 1.00 0.00 N ATOM 430 CA ILE A 31 -9.400 11.250 2.906 1.00 0.00 C ATOM 431 C ILE A 31 -9.545 11.449 4.419 1.00 0.00 C ATOM 432 O ILE A 31 -8.605 11.908 5.076 1.00 0.00 O ATOM 433 CB ILE A 31 -9.040 9.802 2.539 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.709 9.397 3.201 1.00 0.00 C ATOM 435 CG2 ILE A 31 -8.991 9.651 1.010 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.407 7.903 3.064 1.00 0.00 C ATOM 0 H ILE A 31 -7.466 12.016 2.826 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.359 11.450 2.429 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.808 9.127 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.897 9.969 2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.739 9.661 4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.735 8.623 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.965 9.898 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.237 10.325 0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.457 7.678 3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.202 7.326 3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.346 7.639 2.008 1.00 0.00 H new ATOM 448 N GLN A 32 -10.689 11.079 4.994 1.00 0.00 N ATOM 449 CA GLN A 32 -10.924 11.238 6.427 1.00 0.00 C ATOM 450 C GLN A 32 -10.160 10.218 7.272 1.00 0.00 C ATOM 451 O GLN A 32 -9.469 10.600 8.214 1.00 0.00 O ATOM 452 CB GLN A 32 -12.422 11.125 6.730 1.00 0.00 C ATOM 453 CG GLN A 32 -13.185 12.378 6.293 1.00 0.00 C ATOM 454 CD GLN A 32 -14.680 12.090 6.230 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.268 12.111 5.152 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.328 11.838 7.356 1.00 0.00 N ATOM 0 H GLN A 32 -11.470 10.665 4.486 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.555 12.228 6.696 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -12.832 10.253 6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -12.566 10.966 7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -12.993 13.192 6.993 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.829 12.707 5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.824 11.824 8.243 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.332 11.657 7.337 1.00 0.00 H new ATOM 465 N ASP A 33 -10.323 8.926 6.981 1.00 0.00 N ATOM 466 CA ASP A 33 -9.681 7.836 7.712 1.00 0.00 C ATOM 467 C ASP A 33 -9.406 6.698 6.737 1.00 0.00 C ATOM 468 O ASP A 33 -9.844 6.726 5.583 1.00 0.00 O ATOM 469 CB ASP A 33 -10.627 7.279 8.793 1.00 0.00 C ATOM 470 CG ASP A 33 -10.909 8.205 9.967 1.00 0.00 C ATOM 471 OD1 ASP A 33 -9.988 8.508 10.757 1.00 0.00 O ATOM 472 OD2 ASP A 33 -12.116 8.482 10.184 1.00 0.00 O ATOM 0 H ASP A 33 -10.916 8.604 6.216 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.768 8.215 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.575 7.022 8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.201 6.353 9.179 1.00 0.00 H new ATOM 477 N VAL A 34 -8.727 5.654 7.218 1.00 0.00 N ATOM 478 CA VAL A 34 -8.404 4.476 6.421 1.00 0.00 C ATOM 479 C VAL A 34 -9.667 3.708 5.985 1.00 0.00 C ATOM 480 O VAL A 34 -9.564 2.787 5.181 1.00 0.00 O ATOM 481 CB VAL A 34 -7.448 3.554 7.205 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.126 4.236 7.581 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.080 2.977 8.477 1.00 0.00 C ATOM 0 H VAL A 34 -8.385 5.605 8.178 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.908 4.816 5.512 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.239 2.739 6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.498 3.535 8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.609 4.552 6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.330 5.106 8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.358 2.337 8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.371 3.791 9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.961 2.392 8.212 1.00 0.00 H new ATOM 493 N SER A 35 -10.857 4.049 6.500 1.00 0.00 N ATOM 494 CA SER A 35 -12.107 3.381 6.165 1.00 0.00 C ATOM 495 C SER A 35 -12.363 3.416 4.658 1.00 0.00 C ATOM 496 O SER A 35 -12.697 2.374 4.097 1.00 0.00 O ATOM 497 CB SER A 35 -13.244 3.990 6.988 1.00 0.00 C ATOM 498 OG SER A 35 -14.436 3.243 6.851 1.00 0.00 O ATOM 0 H SER A 35 -10.972 4.809 7.170 1.00 0.00 H new ATOM 0 HA SER A 35 -12.044 2.325 6.426 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.955 4.028 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.418 5.017 6.668 1.00 0.00 H new ATOM 0 HG SER A 35 -14.337 2.601 6.117 1.00 0.00 H new ATOM 504 N CYS A 36 -12.167 4.560 3.984 1.00 0.00 N ATOM 505 CA CYS A 36 -12.375 4.647 2.538 1.00 0.00 C ATOM 506 C CYS A 36 -11.469 3.629 1.837 1.00 0.00 C ATOM 507 O CYS A 36 -11.922 2.895 0.958 1.00 0.00 O ATOM 508 CB CYS A 36 -12.088 6.069 2.034 1.00 0.00 C ATOM 509 SG CYS A 36 -13.473 7.161 2.454 1.00 0.00 S ATOM 0 H CYS A 36 -11.866 5.432 4.419 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.416 4.418 2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.168 6.445 2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.936 6.058 0.955 1.00 0.00 H new ATOM 0 HG CYS A 36 -13.223 8.363 2.027 1.00 0.00 H new ATOM 515 N ALA A 37 -10.194 3.569 2.239 1.00 0.00 N ATOM 516 CA ALA A 37 -9.230 2.643 1.671 1.00 0.00 C ATOM 517 C ALA A 37 -9.683 1.197 1.918 1.00 0.00 C ATOM 518 O ALA A 37 -9.733 0.413 0.977 1.00 0.00 O ATOM 519 CB ALA A 37 -7.831 2.927 2.219 1.00 0.00 C ATOM 0 H ALA A 37 -9.809 4.167 2.970 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.178 2.784 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.120 2.225 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.539 3.945 1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.835 2.814 3.303 1.00 0.00 H new ATOM 525 N TRP A 38 -10.065 0.826 3.147 1.00 0.00 N ATOM 526 CA TRP A 38 -10.532 -0.528 3.465 1.00 0.00 C ATOM 527 C TRP A 38 -11.713 -0.915 2.572 1.00 0.00 C ATOM 528 O TRP A 38 -11.737 -2.013 2.008 1.00 0.00 O ATOM 529 CB TRP A 38 -10.957 -0.643 4.937 1.00 0.00 C ATOM 530 CG TRP A 38 -9.867 -0.930 5.920 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.522 -0.152 6.967 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.032 -2.121 6.022 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.522 -0.762 7.699 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.186 -1.989 7.165 1.00 0.00 C ATOM 535 CE3 TRP A 38 -8.931 -3.319 5.282 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.274 -2.989 7.539 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.022 -4.328 5.653 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.194 -4.168 6.777 1.00 0.00 C ATOM 0 H TRP A 38 -10.059 1.457 3.948 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.699 -1.207 3.285 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.443 0.289 5.227 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.706 -1.431 5.017 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.963 0.806 7.199 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.088 -0.357 8.528 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.561 -3.464 4.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.640 -2.854 8.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.960 -5.234 5.068 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.499 -4.947 7.054 1.00 0.00 H new ATOM 549 N LYS A 39 -12.697 -0.022 2.445 1.00 0.00 N ATOM 550 CA LYS A 39 -13.886 -0.244 1.631 1.00 0.00 C ATOM 551 C LYS A 39 -13.495 -0.469 0.177 1.00 0.00 C ATOM 552 O LYS A 39 -14.047 -1.371 -0.452 1.00 0.00 O ATOM 553 CB LYS A 39 -14.846 0.949 1.777 1.00 0.00 C ATOM 554 CG LYS A 39 -15.518 0.968 3.160 1.00 0.00 C ATOM 555 CD LYS A 39 -16.069 2.355 3.520 1.00 0.00 C ATOM 556 CE LYS A 39 -16.699 2.272 4.913 1.00 0.00 C ATOM 557 NZ LYS A 39 -16.919 3.595 5.522 1.00 0.00 N ATOM 0 H LYS A 39 -12.687 0.885 2.911 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.401 -1.140 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.298 1.879 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.610 0.899 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.330 0.241 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.797 0.658 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.270 3.096 3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.810 2.672 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.651 1.746 4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.054 1.681 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.791 3.576 6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.114 3.833 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.008 4.311 4.773 1.00 0.00 H new ATOM 571 N GLU A 40 -12.553 0.309 -0.356 1.00 0.00 N ATOM 572 CA GLU A 40 -12.111 0.177 -1.738 1.00 0.00 C ATOM 573 C GLU A 40 -11.286 -1.094 -1.941 1.00 0.00 C ATOM 574 O GLU A 40 -11.443 -1.778 -2.947 1.00 0.00 O ATOM 575 CB GLU A 40 -11.307 1.413 -2.156 1.00 0.00 C ATOM 576 CG GLU A 40 -11.516 1.739 -3.639 1.00 0.00 C ATOM 577 CD GLU A 40 -12.981 2.101 -3.923 1.00 0.00 C ATOM 578 OE1 GLU A 40 -13.432 3.151 -3.405 1.00 0.00 O ATOM 579 OE2 GLU A 40 -13.697 1.305 -4.577 1.00 0.00 O ATOM 0 H GLU A 40 -12.077 1.048 0.161 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.996 0.101 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.607 2.267 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.248 1.242 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.871 2.569 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.225 0.883 -4.248 1.00 0.00 H new ATOM 586 N LEU A 41 -10.424 -1.447 -0.985 1.00 0.00 N ATOM 587 CA LEU A 41 -9.608 -2.655 -1.052 1.00 0.00 C ATOM 588 C LEU A 41 -10.559 -3.845 -1.189 1.00 0.00 C ATOM 589 O LEU A 41 -10.378 -4.684 -2.066 1.00 0.00 O ATOM 590 CB LEU A 41 -8.746 -2.804 0.207 1.00 0.00 C ATOM 591 CG LEU A 41 -7.491 -1.918 0.278 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.005 -1.930 1.728 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.356 -2.412 -0.622 1.00 0.00 C ATOM 0 H LEU A 41 -10.274 -0.898 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.930 -2.603 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.368 -2.588 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.435 -3.846 0.289 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.759 -0.920 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.113 -1.310 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.787 -1.537 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.768 -2.952 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.499 -1.745 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.066 -3.419 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.693 -2.425 -1.659 1.00 0.00 H new ATOM 605 N ASN A 42 -11.609 -3.892 -0.358 1.00 0.00 N ATOM 606 CA ASN A 42 -12.619 -4.956 -0.382 1.00 0.00 C ATOM 607 C ASN A 42 -13.414 -4.956 -1.702 1.00 0.00 C ATOM 608 O ASN A 42 -14.199 -5.867 -1.949 1.00 0.00 O ATOM 609 CB ASN A 42 -13.569 -4.834 0.822 1.00 0.00 C ATOM 610 CG ASN A 42 -12.984 -5.444 2.094 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.257 -6.592 2.439 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.179 -4.694 2.832 1.00 0.00 N ATOM 0 H ASN A 42 -11.782 -3.185 0.356 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.092 -5.908 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.794 -3.782 0.998 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.512 -5.327 0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.781 -5.068 3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.957 -3.743 2.539 1.00 0.00 H new ATOM 619 N ARG A 43 -13.286 -3.926 -2.545 1.00 0.00 N ATOM 620 CA ARG A 43 -13.961 -3.825 -3.835 1.00 0.00 C ATOM 621 C ARG A 43 -13.059 -4.185 -5.016 1.00 0.00 C ATOM 622 O ARG A 43 -13.577 -4.391 -6.112 1.00 0.00 O ATOM 623 CB ARG A 43 -14.508 -2.414 -4.037 1.00 0.00 C ATOM 624 CG ARG A 43 -15.820 -2.195 -3.282 1.00 0.00 C ATOM 625 CD ARG A 43 -16.450 -0.903 -3.801 1.00 0.00 C ATOM 626 NE ARG A 43 -17.734 -0.595 -3.165 1.00 0.00 N ATOM 627 CZ ARG A 43 -18.927 -1.103 -3.487 1.00 0.00 C ATOM 628 NH1 ARG A 43 -19.037 -2.140 -4.315 1.00 0.00 N ATOM 629 NH2 ARG A 43 -20.011 -0.545 -2.968 1.00 0.00 N ATOM 0 H ARG A 43 -12.694 -3.121 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.774 -4.551 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.769 -1.687 -3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.667 -2.236 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.494 -3.037 -3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.636 -2.126 -2.210 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.760 -0.076 -3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.595 -0.983 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.715 0.076 -2.397 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.200 -2.563 -4.717 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.958 -2.512 -4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.922 0.253 -2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.934 -0.913 -3.198 1.00 0.00 H new ATOM 643 N LYS A 44 -11.741 -4.250 -4.831 1.00 0.00 N ATOM 644 CA LYS A 44 -10.784 -4.568 -5.898 1.00 0.00 C ATOM 645 C LYS A 44 -9.943 -5.808 -5.578 1.00 0.00 C ATOM 646 O LYS A 44 -9.167 -6.243 -6.428 1.00 0.00 O ATOM 647 CB LYS A 44 -9.890 -3.343 -6.191 1.00 0.00 C ATOM 648 CG LYS A 44 -10.617 -2.002 -6.437 1.00 0.00 C ATOM 649 CD LYS A 44 -11.491 -1.982 -7.699 1.00 0.00 C ATOM 650 CE LYS A 44 -12.365 -0.719 -7.738 1.00 0.00 C ATOM 651 NZ LYS A 44 -13.297 -0.721 -8.888 1.00 0.00 N ATOM 0 H LYS A 44 -11.300 -4.082 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.356 -4.809 -6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.206 -3.211 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.281 -3.567 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.241 -1.776 -5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.875 -1.207 -6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.858 -2.019 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.124 -2.869 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.934 -0.644 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.726 0.162 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.030 0.003 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.772 -0.511 -9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.745 -1.656 -8.970 1.00 0.00 H new ATOM 665 N LEU A 45 -10.066 -6.381 -4.381 1.00 0.00 N ATOM 666 CA LEU A 45 -9.342 -7.561 -3.910 1.00 0.00 C ATOM 667 C LEU A 45 -10.364 -8.551 -3.347 1.00 0.00 C ATOM 668 O LEU A 45 -11.558 -8.249 -3.290 1.00 0.00 O ATOM 669 CB LEU A 45 -8.351 -7.173 -2.793 1.00 0.00 C ATOM 670 CG LEU A 45 -7.338 -6.067 -3.135 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.589 -5.683 -1.858 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.336 -6.527 -4.192 1.00 0.00 C ATOM 0 H LEU A 45 -10.707 -6.015 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.784 -8.002 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.924 -6.855 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.798 -8.066 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.879 -5.212 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.866 -4.899 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.299 -5.320 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.068 -6.556 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.637 -5.719 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.787 -7.392 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.868 -6.799 -5.104 1.00 0.00 H new ATOM 684 N SER A 46 -9.906 -9.732 -2.938 1.00 0.00 N ATOM 685 CA SER A 46 -10.760 -10.763 -2.356 1.00 0.00 C ATOM 686 C SER A 46 -10.672 -10.639 -0.835 1.00 0.00 C ATOM 687 O SER A 46 -9.606 -10.320 -0.304 1.00 0.00 O ATOM 688 CB SER A 46 -10.276 -12.149 -2.797 1.00 0.00 C ATOM 689 OG SER A 46 -10.929 -12.569 -3.979 1.00 0.00 O ATOM 0 H SER A 46 -8.924 -10.002 -3.002 1.00 0.00 H new ATOM 0 HA SER A 46 -11.791 -10.637 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.199 -12.125 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.460 -12.871 -2.001 1.00 0.00 H new ATOM 0 HG SER A 46 -10.599 -13.455 -4.238 1.00 0.00 H new ATOM 695 N SER A 47 -11.748 -10.954 -0.117 1.00 0.00 N ATOM 696 CA SER A 47 -11.805 -10.892 1.336 1.00 0.00 C ATOM 697 C SER A 47 -10.732 -11.763 1.997 1.00 0.00 C ATOM 698 O SER A 47 -10.219 -11.398 3.055 1.00 0.00 O ATOM 699 CB SER A 47 -13.199 -11.298 1.811 1.00 0.00 C ATOM 700 OG SER A 47 -14.168 -10.453 1.229 1.00 0.00 O ATOM 0 H SER A 47 -12.622 -11.266 -0.541 1.00 0.00 H new ATOM 0 HA SER A 47 -11.602 -9.864 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.398 -12.335 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.255 -11.236 2.898 1.00 0.00 H new ATOM 0 HG SER A 47 -15.060 -10.719 1.535 1.00 0.00 H new ATOM 706 N ASN A 48 -10.360 -12.896 1.390 1.00 0.00 N ATOM 707 CA ASN A 48 -9.335 -13.768 1.967 1.00 0.00 C ATOM 708 C ASN A 48 -7.919 -13.230 1.733 1.00 0.00 C ATOM 709 O ASN A 48 -6.991 -13.622 2.440 1.00 0.00 O ATOM 710 CB ASN A 48 -9.484 -15.212 1.457 1.00 0.00 C ATOM 711 CG ASN A 48 -9.475 -16.190 2.625 1.00 0.00 C ATOM 712 OD1 ASN A 48 -8.588 -17.026 2.752 1.00 0.00 O ATOM 713 ND2 ASN A 48 -10.472 -16.118 3.493 1.00 0.00 N ATOM 0 H ASN A 48 -10.750 -13.227 0.508 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.491 -13.778 3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.414 -15.313 0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.671 -15.448 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.509 -16.764 4.281 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.203 -15.416 3.373 1.00 0.00 H new ATOM 720 N ALA A 49 -7.725 -12.360 0.735 1.00 0.00 N ATOM 721 CA ALA A 49 -6.433 -11.755 0.427 1.00 0.00 C ATOM 722 C ALA A 49 -6.293 -10.472 1.238 1.00 0.00 C ATOM 723 O ALA A 49 -5.277 -10.270 1.897 1.00 0.00 O ATOM 724 CB ALA A 49 -6.319 -11.431 -1.068 1.00 0.00 C ATOM 0 H ALA A 49 -8.474 -12.055 0.113 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.641 -12.459 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.347 -10.981 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.422 -12.348 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.107 -10.733 -1.350 1.00 0.00 H new ATOM 730 N VAL A 50 -7.336 -9.632 1.254 1.00 0.00 N ATOM 731 CA VAL A 50 -7.335 -8.369 1.981 1.00 0.00 C ATOM 732 C VAL A 50 -7.053 -8.604 3.476 1.00 0.00 C ATOM 733 O VAL A 50 -6.515 -7.728 4.143 1.00 0.00 O ATOM 734 CB VAL A 50 -8.640 -7.590 1.695 1.00 0.00 C ATOM 735 CG1 VAL A 50 -9.802 -7.956 2.620 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.433 -6.080 1.785 1.00 0.00 C ATOM 0 H VAL A 50 -8.207 -9.817 0.757 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.522 -7.735 1.628 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.903 -7.885 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.679 -7.366 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.032 -9.016 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.524 -7.747 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.374 -5.571 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.092 -5.819 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.685 -5.771 1.055 1.00 0.00 H new ATOM 746 N SER A 51 -7.373 -9.791 4.004 1.00 0.00 N ATOM 747 CA SER A 51 -7.148 -10.169 5.392 1.00 0.00 C ATOM 748 C SER A 51 -5.650 -10.128 5.751 1.00 0.00 C ATOM 749 O SER A 51 -5.291 -9.906 6.915 1.00 0.00 O ATOM 750 CB SER A 51 -7.748 -11.568 5.586 1.00 0.00 C ATOM 751 OG SER A 51 -7.792 -11.916 6.949 1.00 0.00 O ATOM 0 H SER A 51 -7.808 -10.533 3.456 1.00 0.00 H new ATOM 0 HA SER A 51 -7.631 -9.460 6.065 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.754 -11.597 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.154 -12.301 5.039 1.00 0.00 H new ATOM 0 HG SER A 51 -8.180 -12.811 7.046 1.00 0.00 H new ATOM 757 N GLN A 52 -4.763 -10.348 4.772 1.00 0.00 N ATOM 758 CA GLN A 52 -3.318 -10.332 4.967 1.00 0.00 C ATOM 759 C GLN A 52 -2.814 -8.927 5.305 1.00 0.00 C ATOM 760 O GLN A 52 -1.754 -8.809 5.923 1.00 0.00 O ATOM 761 CB GLN A 52 -2.609 -10.861 3.710 1.00 0.00 C ATOM 762 CG GLN A 52 -3.019 -12.289 3.318 1.00 0.00 C ATOM 763 CD GLN A 52 -2.645 -13.305 4.389 1.00 0.00 C ATOM 764 OE1 GLN A 52 -1.566 -13.887 4.354 1.00 0.00 O ATOM 765 NE2 GLN A 52 -3.517 -13.567 5.347 1.00 0.00 N ATOM 0 H GLN A 52 -5.039 -10.545 3.810 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.087 -10.982 5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.821 -10.191 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.532 -10.835 3.874 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.095 -12.323 3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.538 -12.559 2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.412 -13.079 5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.295 -14.257 6.064 1.00 0.00 H new ATOM 774 N ILE A 53 -3.551 -7.890 4.903 1.00 0.00 N ATOM 775 CA ILE A 53 -3.211 -6.503 5.155 1.00 0.00 C ATOM 776 C ILE A 53 -3.299 -6.296 6.661 1.00 0.00 C ATOM 777 O ILE A 53 -4.340 -6.559 7.273 1.00 0.00 O ATOM 778 CB ILE A 53 -4.154 -5.567 4.362 1.00 0.00 C ATOM 779 CG1 ILE A 53 -3.962 -5.803 2.843 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.891 -4.104 4.732 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.881 -4.967 1.951 1.00 0.00 C ATOM 0 H ILE A 53 -4.420 -8.002 4.381 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.203 -6.262 4.817 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.188 -5.793 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.926 -5.585 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.129 -6.858 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.563 -3.459 4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.065 -3.961 5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.858 -3.849 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.679 -5.196 0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.921 -5.201 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.699 -3.908 2.133 1.00 0.00 H new ATOM 793 N THR A 54 -2.218 -5.806 7.260 1.00 0.00 N ATOM 794 CA THR A 54 -2.169 -5.555 8.685 1.00 0.00 C ATOM 795 C THR A 54 -1.486 -4.218 8.965 1.00 0.00 C ATOM 796 O THR A 54 -0.859 -3.615 8.088 1.00 0.00 O ATOM 797 CB THR A 54 -1.507 -6.769 9.367 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.831 -6.809 10.739 1.00 0.00 O ATOM 799 CG2 THR A 54 0.015 -6.814 9.224 1.00 0.00 C ATOM 0 H THR A 54 -1.356 -5.574 6.767 1.00 0.00 H new ATOM 0 HA THR A 54 -3.168 -5.454 9.110 1.00 0.00 H new ATOM 0 HB THR A 54 -1.908 -7.639 8.846 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.403 -7.587 11.154 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.402 -7.698 9.731 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.280 -6.857 8.168 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.449 -5.920 9.671 1.00 0.00 H new ATOM 807 N ARG A 55 -1.627 -3.753 10.211 1.00 0.00 N ATOM 808 CA ARG A 55 -1.054 -2.512 10.737 1.00 0.00 C ATOM 809 C ARG A 55 -1.242 -1.331 9.778 1.00 0.00 C ATOM 810 O ARG A 55 -0.300 -0.572 9.531 1.00 0.00 O ATOM 811 CB ARG A 55 0.422 -2.782 11.094 1.00 0.00 C ATOM 812 CG ARG A 55 0.561 -3.846 12.196 1.00 0.00 C ATOM 813 CD ARG A 55 2.022 -4.157 12.536 1.00 0.00 C ATOM 814 NE ARG A 55 2.719 -2.969 13.056 1.00 0.00 N ATOM 815 CZ ARG A 55 3.768 -2.937 13.880 1.00 0.00 C ATOM 816 NH1 ARG A 55 4.251 -4.047 14.422 1.00 0.00 N ATOM 817 NH2 ARG A 55 4.326 -1.770 14.167 1.00 0.00 N ATOM 0 H ARG A 55 -2.170 -4.257 10.912 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.585 -2.210 11.640 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.957 -3.111 10.203 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.891 -1.855 11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.048 -3.502 13.094 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.064 -4.762 11.876 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.062 -4.957 13.276 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.535 -4.520 11.645 1.00 0.00 H new ATOM 0 HE ARG A 55 2.358 -2.065 12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.820 -4.947 14.211 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.054 -4.001 15.049 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.953 -0.912 13.760 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.129 -1.729 14.795 1.00 0.00 H new ATOM 831 N MET A 56 -2.443 -1.185 9.209 1.00 0.00 N ATOM 832 CA MET A 56 -2.727 -0.107 8.276 1.00 0.00 C ATOM 833 C MET A 56 -2.828 1.224 9.015 1.00 0.00 C ATOM 834 O MET A 56 -3.637 1.352 9.943 1.00 0.00 O ATOM 835 CB MET A 56 -3.969 -0.426 7.439 1.00 0.00 C ATOM 836 CG MET A 56 -4.149 0.604 6.314 1.00 0.00 C ATOM 837 SD MET A 56 -5.804 0.655 5.588 1.00 0.00 S ATOM 838 CE MET A 56 -5.875 -0.999 4.860 1.00 0.00 C ATOM 0 H MET A 56 -3.233 -1.807 9.384 1.00 0.00 H new ATOM 0 HA MET A 56 -1.900 -0.013 7.573 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.879 -1.425 7.012 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.852 -0.431 8.078 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.909 1.593 6.704 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.428 0.389 5.525 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.873 -1.178 4.460 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.143 -1.074 4.056 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.652 -1.743 5.625 1.00 0.00 H new ATOM 848 N CYS A 57 -2.023 2.198 8.590 1.00 0.00 N ATOM 849 CA CYS A 57 -1.940 3.543 9.145 1.00 0.00 C ATOM 850 C CYS A 57 -2.115 4.607 8.056 1.00 0.00 C ATOM 851 O CYS A 57 -2.073 4.306 6.860 1.00 0.00 O ATOM 852 CB CYS A 57 -0.584 3.717 9.852 1.00 0.00 C ATOM 853 SG CYS A 57 -0.825 4.380 11.520 1.00 0.00 S ATOM 0 H CYS A 57 -1.380 2.060 7.810 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.748 3.675 9.865 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.068 2.758 9.905 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.051 4.389 9.275 1.00 0.00 H new ATOM 0 HG CYS A 57 0.329 4.518 12.103 1.00 0.00 H new ATOM 859 N LEU A 58 -2.361 5.845 8.493 1.00 0.00 N ATOM 860 CA LEU A 58 -2.537 7.013 7.632 1.00 0.00 C ATOM 861 C LEU A 58 -1.170 7.659 7.417 1.00 0.00 C ATOM 862 O LEU A 58 -0.359 7.692 8.351 1.00 0.00 O ATOM 863 CB LEU A 58 -3.403 8.093 8.317 1.00 0.00 C ATOM 864 CG LEU A 58 -4.912 7.830 8.448 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.553 8.969 9.251 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.609 7.759 7.089 1.00 0.00 C ATOM 0 H LEU A 58 -2.445 6.067 9.485 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.008 6.678 6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.004 8.256 9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.273 9.025 7.766 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.032 6.869 8.948 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.624 8.788 9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.102 9.014 10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.390 9.915 8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.673 7.572 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.476 8.704 6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.176 6.951 6.500 1.00 0.00 H new ATOM 878 N LEU A 59 -0.920 8.153 6.205 1.00 0.00 N ATOM 879 CA LEU A 59 0.317 8.849 5.863 1.00 0.00 C ATOM 880 C LEU A 59 0.092 10.328 6.165 1.00 0.00 C ATOM 881 O LEU A 59 -1.035 10.771 6.429 1.00 0.00 O ATOM 882 CB LEU A 59 0.717 8.658 4.387 1.00 0.00 C ATOM 883 CG LEU A 59 1.112 7.213 4.041 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.430 7.085 2.549 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.343 6.772 4.834 1.00 0.00 C ATOM 0 H LEU A 59 -1.576 8.080 5.428 1.00 0.00 H new ATOM 0 HA LEU A 59 1.138 8.438 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.115 8.961 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.552 9.320 4.156 1.00 0.00 H new ATOM 0 HG LEU A 59 0.265 6.577 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.707 6.055 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.552 7.361 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.257 7.748 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.599 5.746 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.181 7.428 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.128 6.828 5.901 1.00 0.00 H new ATOM 897 N LYS A 60 1.176 11.101 6.169 1.00 0.00 N ATOM 898 CA LYS A 60 1.093 12.527 6.448 1.00 0.00 C ATOM 899 C LYS A 60 0.292 13.234 5.352 1.00 0.00 C ATOM 900 O LYS A 60 0.216 12.765 4.213 1.00 0.00 O ATOM 901 CB LYS A 60 2.493 13.124 6.644 1.00 0.00 C ATOM 902 CG LYS A 60 3.328 12.350 7.677 1.00 0.00 C ATOM 903 CD LYS A 60 4.231 13.238 8.540 1.00 0.00 C ATOM 904 CE LYS A 60 3.398 13.909 9.639 1.00 0.00 C ATOM 905 NZ LYS A 60 4.225 14.499 10.706 1.00 0.00 N ATOM 0 H LYS A 60 2.119 10.761 5.982 1.00 0.00 H new ATOM 0 HA LYS A 60 0.557 12.682 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.018 13.130 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.400 14.162 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.655 11.792 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.946 11.619 7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.026 12.640 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.711 13.996 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.779 14.688 9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.722 13.174 10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.609 14.938 11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.798 13.755 11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.853 15.222 10.299 1.00 0.00 H new ATOM 919 N GLY A 61 -0.328 14.356 5.717 1.00 0.00 N ATOM 920 CA GLY A 61 -1.140 15.178 4.836 1.00 0.00 C ATOM 921 C GLY A 61 -2.334 14.432 4.247 1.00 0.00 C ATOM 922 O GLY A 61 -2.876 14.906 3.254 1.00 0.00 O ATOM 0 H GLY A 61 -0.274 14.725 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.499 16.046 5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.517 15.553 4.024 1.00 0.00 H new ATOM 926 N ASN A 62 -2.752 13.296 4.831 1.00 0.00 N ATOM 927 CA ASN A 62 -3.871 12.461 4.371 1.00 0.00 C ATOM 928 C ASN A 62 -3.708 12.051 2.895 1.00 0.00 C ATOM 929 O ASN A 62 -4.678 11.638 2.248 1.00 0.00 O ATOM 930 CB ASN A 62 -5.224 13.165 4.575 1.00 0.00 C ATOM 931 CG ASN A 62 -5.553 13.505 6.021 1.00 0.00 C ATOM 932 OD1 ASN A 62 -4.992 14.438 6.593 1.00 0.00 O ATOM 933 ND2 ASN A 62 -6.472 12.791 6.643 1.00 0.00 N ATOM 0 H ASN A 62 -2.302 12.922 5.667 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.856 11.558 4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.232 14.084 3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.013 12.527 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.723 13.011 7.607 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.932 12.019 6.160 1.00 0.00 H new ATOM 940 N MET A 63 -2.485 12.120 2.355 1.00 0.00 N ATOM 941 CA MET A 63 -2.199 11.798 0.964 1.00 0.00 C ATOM 942 C MET A 63 -2.152 10.308 0.630 1.00 0.00 C ATOM 943 O MET A 63 -2.077 9.952 -0.548 1.00 0.00 O ATOM 944 CB MET A 63 -0.879 12.472 0.533 1.00 0.00 C ATOM 945 CG MET A 63 -1.082 13.868 -0.061 1.00 0.00 C ATOM 946 SD MET A 63 -1.502 13.914 -1.832 1.00 0.00 S ATOM 947 CE MET A 63 -3.125 13.098 -1.909 1.00 0.00 C ATOM 0 H MET A 63 -1.661 12.405 2.884 1.00 0.00 H new ATOM 0 HA MET A 63 -3.047 12.189 0.401 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.216 12.544 1.396 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.379 11.841 -0.201 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.874 14.369 0.495 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.170 14.445 0.093 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.551 13.229 -2.904 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.008 12.034 -1.701 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.790 13.541 -1.168 1.00 0.00 H new ATOM 957 N GLY A 64 -2.182 9.421 1.619 1.00 0.00 N ATOM 958 CA GLY A 64 -2.151 7.998 1.343 1.00 0.00 C ATOM 959 C GLY A 64 -2.181 7.198 2.626 1.00 0.00 C ATOM 960 O GLY A 64 -2.323 7.748 3.723 1.00 0.00 O ATOM 0 H GLY A 64 -2.227 9.664 2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.003 7.726 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.252 7.753 0.778 1.00 0.00 H new ATOM 964 N VAL A 65 -2.060 5.888 2.489 1.00 0.00 N ATOM 965 CA VAL A 65 -2.049 4.950 3.597 1.00 0.00 C ATOM 966 C VAL A 65 -0.899 3.975 3.362 1.00 0.00 C ATOM 967 O VAL A 65 -0.369 3.880 2.248 1.00 0.00 O ATOM 968 CB VAL A 65 -3.431 4.284 3.773 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.528 5.330 4.024 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.871 3.434 2.579 1.00 0.00 C ATOM 0 H VAL A 65 -1.964 5.437 1.579 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.873 5.452 4.548 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.305 3.628 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.488 4.829 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.296 5.890 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.579 6.014 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.851 3.002 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.928 4.060 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.148 2.635 2.416 1.00 0.00 H new ATOM 980 N CYS A 66 -0.489 3.287 4.418 1.00 0.00 N ATOM 981 CA CYS A 66 0.593 2.317 4.402 1.00 0.00 C ATOM 982 C CYS A 66 0.164 1.112 5.224 1.00 0.00 C ATOM 983 O CYS A 66 -0.580 1.270 6.201 1.00 0.00 O ATOM 984 CB CYS A 66 1.854 2.957 4.996 1.00 0.00 C ATOM 985 SG CYS A 66 1.497 3.747 6.602 1.00 0.00 S ATOM 0 H CYS A 66 -0.915 3.393 5.339 1.00 0.00 H new ATOM 0 HA CYS A 66 0.815 2.000 3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.625 2.197 5.125 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.250 3.699 4.303 1.00 0.00 H new ATOM 0 HG CYS A 66 0.509 3.130 7.179 1.00 0.00 H new ATOM 991 N PHE A 67 0.614 -0.081 4.845 1.00 0.00 N ATOM 992 CA PHE A 67 0.299 -1.320 5.545 1.00 0.00 C ATOM 993 C PHE A 67 1.380 -2.365 5.280 1.00 0.00 C ATOM 994 O PHE A 67 2.258 -2.153 4.442 1.00 0.00 O ATOM 995 CB PHE A 67 -1.099 -1.817 5.155 1.00 0.00 C ATOM 996 CG PHE A 67 -1.416 -1.971 3.676 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.853 -3.025 2.933 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.395 -1.155 3.076 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.274 -3.265 1.613 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.815 -1.396 1.757 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.257 -2.453 1.026 1.00 0.00 C ATOM 0 H PHE A 67 1.216 -0.215 4.032 1.00 0.00 H new ATOM 0 HA PHE A 67 0.284 -1.133 6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.254 -2.785 5.632 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.829 -1.130 5.583 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.095 -3.652 3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.826 -0.337 3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.839 -4.077 1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.568 -0.766 1.307 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.582 -2.642 0.014 1.00 0.00 H new ATOM 1011 N ASP A 68 1.295 -3.495 5.978 1.00 0.00 N ATOM 1012 CA ASP A 68 2.237 -4.609 5.885 1.00 0.00 C ATOM 1013 C ASP A 68 1.503 -5.824 5.320 1.00 0.00 C ATOM 1014 O ASP A 68 0.333 -6.041 5.660 1.00 0.00 O ATOM 1015 CB ASP A 68 2.764 -4.961 7.287 1.00 0.00 C ATOM 1016 CG ASP A 68 3.690 -3.924 7.930 1.00 0.00 C ATOM 1017 OD1 ASP A 68 3.353 -2.717 7.992 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.737 -4.326 8.481 1.00 0.00 O ATOM 0 H ASP A 68 0.544 -3.667 6.646 1.00 0.00 H new ATOM 0 HA ASP A 68 3.070 -4.330 5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.911 -5.117 7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.298 -5.909 7.226 1.00 0.00 H new ATOM 1023 N VAL A 69 2.176 -6.603 4.468 1.00 0.00 N ATOM 1024 CA VAL A 69 1.669 -7.820 3.826 1.00 0.00 C ATOM 1025 C VAL A 69 2.828 -8.806 3.610 1.00 0.00 C ATOM 1026 O VAL A 69 3.977 -8.373 3.478 1.00 0.00 O ATOM 1027 CB VAL A 69 0.980 -7.508 2.470 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.406 -6.891 2.667 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.806 -6.594 1.550 1.00 0.00 C ATOM 0 H VAL A 69 3.136 -6.392 4.194 1.00 0.00 H new ATOM 0 HA VAL A 69 0.921 -8.264 4.483 1.00 0.00 H new ATOM 0 HB VAL A 69 0.889 -8.477 1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.855 -6.687 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.038 -7.585 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.314 -5.960 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.260 -6.422 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.984 -5.641 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.760 -7.070 1.326 1.00 0.00 H new ATOM 1039 N PRO A 70 2.584 -10.129 3.595 1.00 0.00 N ATOM 1040 CA PRO A 70 3.650 -11.094 3.362 1.00 0.00 C ATOM 1041 C PRO A 70 4.018 -11.002 1.877 1.00 0.00 C ATOM 1042 O PRO A 70 3.139 -10.701 1.055 1.00 0.00 O ATOM 1043 CB PRO A 70 3.048 -12.456 3.716 1.00 0.00 C ATOM 1044 CG PRO A 70 1.552 -12.279 3.459 1.00 0.00 C ATOM 1045 CD PRO A 70 1.299 -10.799 3.747 1.00 0.00 C ATOM 0 HA PRO A 70 4.552 -10.924 3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.468 -13.250 3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.246 -12.722 4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.290 -12.536 2.433 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.957 -12.920 4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.562 -10.389 3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.905 -10.660 4.754 1.00 0.00 H new ATOM 1053 N THR A 71 5.268 -11.303 1.502 1.00 0.00 N ATOM 1054 CA THR A 71 5.646 -11.232 0.089 1.00 0.00 C ATOM 1055 C THR A 71 4.727 -12.139 -0.746 1.00 0.00 C ATOM 1056 O THR A 71 4.311 -11.760 -1.840 1.00 0.00 O ATOM 1057 CB THR A 71 7.132 -11.540 -0.128 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.464 -12.849 0.283 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.049 -10.557 0.597 1.00 0.00 C ATOM 0 H THR A 71 6.013 -11.589 2.137 1.00 0.00 H new ATOM 0 HA THR A 71 5.507 -10.207 -0.254 1.00 0.00 H new ATOM 0 HB THR A 71 7.290 -11.442 -1.202 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.418 -13.009 0.128 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.089 -10.823 0.408 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.861 -9.547 0.232 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.853 -10.599 1.668 1.00 0.00 H new ATOM 1067 N THR A 72 4.318 -13.279 -0.174 1.00 0.00 N ATOM 1068 CA THR A 72 3.435 -14.253 -0.792 1.00 0.00 C ATOM 1069 C THR A 72 2.160 -13.599 -1.350 1.00 0.00 C ATOM 1070 O THR A 72 1.716 -14.045 -2.408 1.00 0.00 O ATOM 1071 CB THR A 72 3.218 -15.415 0.199 1.00 0.00 C ATOM 1072 OG1 THR A 72 4.445 -16.125 0.297 1.00 0.00 O ATOM 1073 CG2 THR A 72 2.153 -16.429 -0.228 1.00 0.00 C ATOM 0 H THR A 72 4.608 -13.550 0.766 1.00 0.00 H new ATOM 0 HA THR A 72 3.892 -14.685 -1.682 1.00 0.00 H new ATOM 0 HB THR A 72 2.880 -14.967 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.342 -16.872 0.923 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.069 -17.209 0.529 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.193 -15.924 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.438 -16.876 -1.180 1.00 0.00 H new ATOM 1081 N GLU A 73 1.569 -12.587 -0.696 1.00 0.00 N ATOM 1082 CA GLU A 73 0.378 -11.926 -1.239 1.00 0.00 C ATOM 1083 C GLU A 73 0.797 -10.668 -1.996 1.00 0.00 C ATOM 1084 O GLU A 73 0.136 -10.297 -2.958 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.680 -11.583 -0.173 1.00 0.00 C ATOM 1086 CG GLU A 73 -2.056 -12.227 -0.422 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.529 -12.273 -1.886 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -3.190 -11.341 -2.386 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.301 -13.332 -2.523 1.00 0.00 O ATOM 0 H GLU A 73 1.892 -12.215 0.197 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.099 -12.636 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.313 -11.901 0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.800 -10.500 -0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.032 -13.247 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.799 -11.684 0.161 1.00 0.00 H new ATOM 1096 N SER A 74 1.906 -10.030 -1.612 1.00 0.00 N ATOM 1097 CA SER A 74 2.418 -8.827 -2.255 1.00 0.00 C ATOM 1098 C SER A 74 2.578 -9.054 -3.766 1.00 0.00 C ATOM 1099 O SER A 74 2.216 -8.183 -4.566 1.00 0.00 O ATOM 1100 CB SER A 74 3.740 -8.457 -1.576 1.00 0.00 C ATOM 1101 OG SER A 74 4.178 -7.166 -1.938 1.00 0.00 O ATOM 0 H SER A 74 2.481 -10.345 -0.830 1.00 0.00 H new ATOM 0 HA SER A 74 1.720 -7.997 -2.143 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.618 -8.508 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.503 -9.187 -1.846 1.00 0.00 H new ATOM 0 HG SER A 74 4.399 -6.657 -1.130 1.00 0.00 H new ATOM 1107 N GLU A 75 3.077 -10.224 -4.178 1.00 0.00 N ATOM 1108 CA GLU A 75 3.265 -10.525 -5.595 1.00 0.00 C ATOM 1109 C GLU A 75 1.936 -10.671 -6.350 1.00 0.00 C ATOM 1110 O GLU A 75 1.941 -10.649 -7.579 1.00 0.00 O ATOM 1111 CB GLU A 75 4.090 -11.805 -5.788 1.00 0.00 C ATOM 1112 CG GLU A 75 5.446 -11.893 -5.077 1.00 0.00 C ATOM 1113 CD GLU A 75 6.274 -10.608 -5.119 1.00 0.00 C ATOM 1114 OE1 GLU A 75 6.289 -9.931 -6.164 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.963 -10.323 -4.110 1.00 0.00 O ATOM 0 H GLU A 75 3.357 -10.976 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 75 3.803 -9.673 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.483 -12.648 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.262 -11.935 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.278 -12.167 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.026 -12.698 -5.528 1.00 0.00 H new ATOM 1122 N ARG A 76 0.813 -10.914 -5.663 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.516 -11.045 -6.269 1.00 0.00 C ATOM 1124 C ARG A 76 -1.209 -9.689 -6.213 1.00 0.00 C ATOM 1125 O ARG A 76 -1.874 -9.305 -7.173 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.349 -12.111 -5.529 1.00 0.00 C ATOM 1127 CG ARG A 76 -1.095 -13.534 -6.055 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.885 -13.796 -7.348 1.00 0.00 C ATOM 1129 NE ARG A 76 -1.304 -14.894 -8.135 1.00 0.00 N ATOM 1130 CZ ARG A 76 -1.471 -16.213 -7.982 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -2.384 -16.726 -7.160 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -0.707 -17.022 -8.702 1.00 0.00 N ATOM 0 H ARG A 76 0.804 -11.027 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.417 -11.366 -7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.115 -12.074 -4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.408 -11.874 -5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.030 -13.671 -6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.382 -14.262 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.919 -14.036 -7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.905 -12.888 -7.951 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.691 -14.612 -8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.988 -16.107 -6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.480 -17.738 -7.072 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.019 -16.634 -9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.807 -18.033 -8.611 1.00 0.00 H new ATOM 1146 N LEU A 77 -0.986 -8.912 -5.152 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.566 -7.589 -4.962 1.00 0.00 C ATOM 1148 C LEU A 77 -1.141 -6.682 -6.114 1.00 0.00 C ATOM 1149 O LEU A 77 -1.959 -5.913 -6.617 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.150 -7.037 -3.585 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.028 -7.632 -2.463 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.387 -7.559 -1.081 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.360 -6.889 -2.368 1.00 0.00 C ATOM 0 H LEU A 77 -0.380 -9.197 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.655 -7.640 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.103 -7.273 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.238 -5.951 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.162 -8.678 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.061 -7.995 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.448 -8.112 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.194 -6.517 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.963 -7.324 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.175 -5.837 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.893 -6.975 -3.315 1.00 0.00 H new ATOM 1165 N GLN A 78 0.115 -6.799 -6.566 1.00 0.00 N ATOM 1166 CA GLN A 78 0.645 -6.014 -7.679 1.00 0.00 C ATOM 1167 C GLN A 78 -0.074 -6.346 -9.001 1.00 0.00 C ATOM 1168 O GLN A 78 0.068 -5.594 -9.967 1.00 0.00 O ATOM 1169 CB GLN A 78 2.167 -6.248 -7.820 1.00 0.00 C ATOM 1170 CG GLN A 78 2.981 -5.052 -7.294 1.00 0.00 C ATOM 1171 CD GLN A 78 4.417 -5.029 -7.831 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.793 -4.163 -8.623 1.00 0.00 O ATOM 1173 NE2 GLN A 78 5.265 -5.939 -7.391 1.00 0.00 N ATOM 0 H GLN A 78 0.793 -7.447 -6.164 1.00 0.00 H new ATOM 0 HA GLN A 78 0.464 -4.961 -7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.448 -7.148 -7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.412 -6.422 -8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.479 -4.126 -7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.006 -5.086 -6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.951 -6.654 -6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.235 -5.927 -7.706 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.772 -7.482 -9.097 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.512 -7.907 -10.277 1.00 0.00 C ATOM 1184 C ALA A 79 -3.007 -7.600 -10.147 1.00 0.00 C ATOM 1185 O ALA A 79 -3.623 -7.167 -11.122 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.280 -9.404 -10.516 1.00 0.00 C ATOM 0 H ALA A 79 -0.836 -8.149 -8.328 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.144 -7.345 -11.136 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.834 -9.722 -11.399 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.217 -9.587 -10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.624 -9.968 -9.649 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.594 -7.799 -8.963 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.017 -7.576 -8.736 1.00 0.00 C ATOM 1194 C GLU A 80 -5.404 -6.102 -8.768 1.00 0.00 C ATOM 1195 O GLU A 80 -6.514 -5.776 -9.196 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.450 -8.187 -7.388 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.507 -9.724 -7.397 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.349 -10.278 -6.239 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -7.571 -9.986 -6.199 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -5.824 -11.066 -5.415 1.00 0.00 O ATOM 0 H GLU A 80 -3.091 -8.120 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.537 -8.068 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.757 -7.862 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.432 -7.797 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.925 -10.065 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.495 -10.124 -7.333 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.517 -5.203 -8.347 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.805 -3.777 -8.311 1.00 0.00 C ATOM 1209 C TRP A 81 -5.017 -3.167 -9.705 1.00 0.00 C ATOM 1210 O TRP A 81 -4.060 -2.922 -10.440 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.715 -3.073 -7.505 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.175 -1.785 -6.889 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.715 -0.548 -7.179 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.225 -1.588 -5.897 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.389 0.392 -6.424 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.336 -0.195 -5.606 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -6.101 -2.460 -5.219 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.261 0.296 -4.666 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -7.032 -1.974 -4.285 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -7.105 -0.604 -3.991 1.00 0.00 C ATOM 0 H TRP A 81 -3.581 -5.445 -8.022 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.762 -3.626 -7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.366 -3.741 -6.717 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.863 -2.874 -8.155 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.937 -0.327 -7.894 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.210 1.395 -6.465 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -6.056 -3.520 -5.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.322 1.355 -4.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.699 -2.663 -3.788 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.804 -0.243 -3.251 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.275 -2.924 -10.079 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.712 -2.336 -11.345 1.00 0.00 C ATOM 1233 C HIS A 82 -7.996 -1.542 -11.105 1.00 0.00 C ATOM 1234 O HIS A 82 -8.548 -1.621 -10.004 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.934 -3.429 -12.400 1.00 0.00 C ATOM 1236 CG HIS A 82 -5.748 -3.624 -13.299 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -5.149 -4.823 -13.598 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -5.112 -2.646 -14.011 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -4.164 -4.565 -14.472 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -4.109 -3.255 -14.769 1.00 0.00 N ATOM 0 H HIS A 82 -7.062 -3.146 -9.469 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.939 -1.666 -11.723 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.162 -4.370 -11.899 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.803 -3.172 -13.005 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.343 -1.591 -13.991 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.502 -5.312 -14.883 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.466 -2.799 -15.416 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.454 -0.792 -12.120 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.654 0.056 -12.110 1.00 0.00 C ATOM 1250 C ASP A 83 -9.757 0.781 -10.767 1.00 0.00 C ATOM 1251 O ASP A 83 -10.751 0.703 -10.042 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.881 -0.778 -12.495 1.00 0.00 C ATOM 1253 CG ASP A 83 -12.182 0.020 -12.468 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.369 0.932 -13.304 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -13.045 -0.318 -11.624 1.00 0.00 O ATOM 0 H ASP A 83 -7.970 -0.760 -13.017 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.592 0.842 -12.863 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.735 -1.188 -13.494 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.967 -1.624 -11.812 1.00 0.00 H new ATOM 1260 N SER A 84 -8.663 1.449 -10.409 1.00 0.00 N ATOM 1261 CA SER A 84 -8.503 2.183 -9.170 1.00 0.00 C ATOM 1262 C SER A 84 -7.677 3.440 -9.424 1.00 0.00 C ATOM 1263 O SER A 84 -6.673 3.406 -10.143 1.00 0.00 O ATOM 1264 CB SER A 84 -7.888 1.258 -8.105 1.00 0.00 C ATOM 1265 OG SER A 84 -7.076 0.227 -8.639 1.00 0.00 O ATOM 0 H SER A 84 -7.834 1.491 -11.002 1.00 0.00 H new ATOM 0 HA SER A 84 -9.469 2.513 -8.787 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.291 1.858 -7.418 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.691 0.809 -7.521 1.00 0.00 H new ATOM 0 HG SER A 84 -7.645 -0.488 -8.993 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.080 4.528 -8.775 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.490 5.865 -8.864 1.00 0.00 C ATOM 1273 C ASP A 85 -6.396 6.102 -7.812 1.00 0.00 C ATOM 1274 O ASP A 85 -5.993 7.244 -7.583 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.608 6.912 -8.682 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.635 6.981 -9.813 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -9.655 6.110 -10.712 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.475 7.908 -9.767 1.00 0.00 O ATOM 0 H ASP A 85 -8.873 4.501 -8.135 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.019 5.956 -9.843 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.133 6.700 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.148 7.894 -8.572 1.00 0.00 H new ATOM 1283 N TRP A 86 -5.949 5.054 -7.114 1.00 0.00 N ATOM 1284 CA TRP A 86 -4.935 5.123 -6.069 1.00 0.00 C ATOM 1285 C TRP A 86 -3.692 4.366 -6.533 1.00 0.00 C ATOM 1286 O TRP A 86 -3.794 3.172 -6.841 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.478 4.502 -4.774 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.686 5.109 -4.116 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.898 5.240 -4.692 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.874 5.511 -2.721 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.818 5.683 -3.769 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -8.259 5.793 -2.518 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -6.042 5.595 -1.585 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.800 6.047 -1.251 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.567 5.855 -0.305 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.950 6.054 -0.135 1.00 0.00 C ATOM 0 H TRP A 86 -6.296 4.107 -7.269 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.676 6.164 -5.874 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.709 3.458 -4.984 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.669 4.509 -4.043 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.116 5.028 -5.728 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.790 5.902 -3.986 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.977 5.457 -1.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.857 6.235 -1.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.907 5.902 0.549 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -8.356 6.212 0.853 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.542 5.041 -6.613 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.284 4.434 -7.042 1.00 0.00 C ATOM 1309 C ILE A 87 -0.794 3.519 -5.925 1.00 0.00 C ATOM 1310 O ILE A 87 -0.694 3.961 -4.775 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.190 5.492 -7.341 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.660 6.653 -8.245 1.00 0.00 C ATOM 1313 CG2 ILE A 87 1.018 4.792 -7.987 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.185 7.846 -7.436 1.00 0.00 C ATOM 0 H ILE A 87 -2.460 6.031 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.467 3.883 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 87 0.074 5.945 -6.386 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.169 6.980 -8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.444 6.296 -8.912 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.793 5.528 -8.201 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.411 4.040 -7.303 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.707 4.312 -8.915 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.503 8.636 -8.117 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.032 7.529 -6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.394 8.223 -6.788 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.449 2.274 -6.247 1.00 0.00 N ATOM 1327 CA LEU A 88 0.058 1.296 -5.290 1.00 0.00 C ATOM 1328 C LEU A 88 1.549 1.098 -5.553 1.00 0.00 C ATOM 1329 O LEU A 88 1.958 0.979 -6.711 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.706 -0.027 -5.462 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.273 -1.131 -4.478 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.875 -0.885 -3.088 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.715 -2.500 -5.006 1.00 0.00 C ATOM 0 H LEU A 88 -0.516 1.911 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.086 1.644 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.772 0.161 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.565 -0.387 -6.481 1.00 0.00 H new ATOM 0 HG LEU A 88 0.813 -1.112 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.557 -1.676 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.534 0.078 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.963 -0.882 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.406 -3.277 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.800 -2.517 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.254 -2.682 -5.977 1.00 0.00 H new ATOM 1345 N SER A 89 2.368 1.049 -4.506 1.00 0.00 N ATOM 1346 CA SER A 89 3.807 0.838 -4.598 1.00 0.00 C ATOM 1347 C SER A 89 4.243 -0.130 -3.499 1.00 0.00 C ATOM 1348 O SER A 89 3.553 -0.260 -2.482 1.00 0.00 O ATOM 1349 CB SER A 89 4.543 2.177 -4.542 1.00 0.00 C ATOM 1350 OG SER A 89 4.054 3.007 -3.506 1.00 0.00 O ATOM 0 H SER A 89 2.040 1.158 -3.546 1.00 0.00 H new ATOM 0 HA SER A 89 4.065 0.385 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.608 1.999 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.437 2.690 -5.498 1.00 0.00 H new ATOM 0 HG SER A 89 4.550 3.852 -3.502 1.00 0.00 H new ATOM 1356 N VAL A 90 5.400 -0.773 -3.686 1.00 0.00 N ATOM 1357 CA VAL A 90 5.924 -1.749 -2.740 1.00 0.00 C ATOM 1358 C VAL A 90 7.389 -1.462 -2.350 1.00 0.00 C ATOM 1359 O VAL A 90 8.314 -2.049 -2.918 1.00 0.00 O ATOM 1360 CB VAL A 90 5.627 -3.155 -3.317 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.309 -3.499 -4.654 1.00 0.00 C ATOM 1362 CG2 VAL A 90 5.922 -4.248 -2.294 1.00 0.00 C ATOM 0 H VAL A 90 5.996 -0.627 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 90 5.424 -1.684 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 90 4.561 -3.114 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.027 -4.507 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.993 -2.788 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.391 -3.446 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.703 -5.223 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.973 -4.206 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.300 -4.098 -1.411 1.00 0.00 H new ATOM 1372 N PRO A 91 7.623 -0.585 -1.356 1.00 0.00 N ATOM 1373 CA PRO A 91 8.965 -0.255 -0.876 1.00 0.00 C ATOM 1374 C PRO A 91 9.560 -1.410 -0.036 1.00 0.00 C ATOM 1375 O PRO A 91 8.945 -2.470 0.116 1.00 0.00 O ATOM 1376 CB PRO A 91 8.781 1.030 -0.059 1.00 0.00 C ATOM 1377 CG PRO A 91 7.358 0.913 0.479 1.00 0.00 C ATOM 1378 CD PRO A 91 6.619 0.189 -0.637 1.00 0.00 C ATOM 0 HA PRO A 91 9.675 -0.109 -1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.510 1.100 0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.904 1.919 -0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.326 0.351 1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.923 1.892 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.843 -0.461 -0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.126 0.899 -1.301 1.00 0.00 H new ATOM 1386 N ALA A 92 10.756 -1.168 0.517 1.00 0.00 N ATOM 1387 CA ALA A 92 11.567 -2.047 1.364 1.00 0.00 C ATOM 1388 C ALA A 92 11.538 -3.513 0.921 1.00 0.00 C ATOM 1389 O ALA A 92 11.814 -3.752 -0.279 1.00 0.00 O ATOM 1390 CB ALA A 92 11.169 -1.822 2.823 1.00 0.00 C ATOM 0 H ALA A 92 11.220 -0.272 0.369 1.00 0.00 H new ATOM 0 HA ALA A 92 12.618 -1.782 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.764 -2.470 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.346 -0.781 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.112 -2.055 2.952 1.00 0.00 H new TER 1396 ALA A 92