USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 748 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 5 LYS NZ :NH3+ 165:sc= -0.021 (180deg=-0.239) USER MOD Set 1.2: A 8 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.8!) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.27 F(o=-2.5!,f=-1.3) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.704 USER MOD Single : A 16 GLN :FLIP amide:sc= -1.38 F(o=-4.2!,f=-1.4) USER MOD Single : A 20 SER OG : rot -14:sc= 0.562 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 113:sc= -3.2! USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= 1.26 (180deg=0.631) USER MOD Single : A 37 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.7!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : B 9 ASN :FLIP amide:sc= -0.109 F(o=-2.6!,f=-0.11) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN :FLIP amide:sc= -1.47! C(o=-4.9!,f=-1.5!) USER MOD Single : B 20 SER OG : rot 180:sc= 0.559 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 150:sc= -0.116 USER MOD Single : B 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.893 K(o=-0.89,f=-2.1!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 4.208 3.607 2.398 1.00 0.00 N ATOM 13 CA GLU A 2 4.323 2.412 3.224 1.00 0.00 C ATOM 14 C GLU A 2 4.115 1.155 2.402 1.00 0.00 C ATOM 15 O GLU A 2 4.602 0.095 2.759 1.00 0.00 O ATOM 16 CB GLU A 2 3.317 2.445 4.371 1.00 0.00 C ATOM 17 CG GLU A 2 3.570 3.567 5.352 1.00 0.00 C ATOM 18 CD GLU A 2 2.666 3.501 6.566 1.00 0.00 C ATOM 19 OE1 GLU A 2 1.431 3.522 6.389 1.00 0.00 O ATOM 20 OE2 GLU A 2 3.193 3.428 7.697 1.00 0.00 O ATOM 0 HA GLU A 2 5.332 2.397 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.312 2.548 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.349 1.493 4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.610 3.532 5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.425 4.523 4.849 1.00 0.00 H new ATOM 27 N ALA A 3 3.388 1.283 1.305 1.00 0.00 N ATOM 28 CA ALA A 3 3.115 0.146 0.430 1.00 0.00 C ATOM 29 C ALA A 3 4.375 -0.264 -0.307 1.00 0.00 C ATOM 30 O ALA A 3 4.558 -1.420 -0.687 1.00 0.00 O ATOM 31 CB ALA A 3 2.014 0.496 -0.558 1.00 0.00 C ATOM 0 H ALA A 3 2.974 2.162 0.995 1.00 0.00 H new ATOM 0 HA ALA A 3 2.781 -0.693 1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.820 -0.360 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.105 0.753 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.326 1.346 -1.165 1.00 0.00 H new ATOM 37 N LEU A 4 5.229 0.715 -0.507 1.00 0.00 N ATOM 38 CA LEU A 4 6.486 0.536 -1.198 1.00 0.00 C ATOM 39 C LEU A 4 7.560 0.027 -0.246 1.00 0.00 C ATOM 40 O LEU A 4 8.330 -0.873 -0.574 1.00 0.00 O ATOM 41 CB LEU A 4 6.901 1.882 -1.790 1.00 0.00 C ATOM 42 CG LEU A 4 5.890 2.501 -2.761 1.00 0.00 C ATOM 43 CD1 LEU A 4 5.393 1.453 -3.737 1.00 0.00 C ATOM 44 CD2 LEU A 4 4.725 3.131 -2.006 1.00 0.00 C ATOM 0 H LEU A 4 5.067 1.671 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 4 6.367 -0.205 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.074 2.583 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.851 1.756 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 4 6.390 3.290 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.675 1.905 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.235 1.056 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.911 0.644 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.022 3.563 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.220 2.368 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.100 3.913 -1.346 1.00 0.00 H new ATOM 56 N LYS A 5 7.598 0.635 0.926 1.00 0.00 N ATOM 57 CA LYS A 5 8.566 0.297 1.963 1.00 0.00 C ATOM 58 C LYS A 5 8.157 -0.944 2.753 1.00 0.00 C ATOM 59 O LYS A 5 9.006 -1.633 3.316 1.00 0.00 O ATOM 60 CB LYS A 5 8.748 1.484 2.914 1.00 0.00 C ATOM 61 CG LYS A 5 9.707 1.202 4.057 1.00 0.00 C ATOM 62 CD LYS A 5 11.024 0.653 3.540 1.00 0.00 C ATOM 63 CE LYS A 5 11.985 0.344 4.677 1.00 0.00 C ATOM 64 NZ LYS A 5 11.422 -0.659 5.622 1.00 0.00 N ATOM 0 H LYS A 5 6.956 1.382 1.190 1.00 0.00 H new ATOM 0 HA LYS A 5 9.510 0.072 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.112 2.341 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.778 1.763 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.887 2.118 4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.257 0.488 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.840 -0.253 2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.480 1.376 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.924 -0.030 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.216 1.262 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.182 -1.031 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.697 -0.208 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.993 -1.440 5.085 1.00 0.00 H new ATOM 78 N ILE A 6 6.860 -1.222 2.798 1.00 0.00 N ATOM 79 CA ILE A 6 6.354 -2.373 3.523 1.00 0.00 C ATOM 80 C ILE A 6 7.024 -3.636 3.021 1.00 0.00 C ATOM 81 O ILE A 6 7.468 -4.480 3.799 1.00 0.00 O ATOM 82 CB ILE A 6 4.833 -2.514 3.336 1.00 0.00 C ATOM 83 CG1 ILE A 6 4.297 -3.680 4.165 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.496 -2.705 1.865 1.00 0.00 C ATOM 85 CD1 ILE A 6 2.857 -4.015 3.859 1.00 0.00 C ATOM 0 H ILE A 6 6.141 -0.663 2.339 1.00 0.00 H new ATOM 0 HA ILE A 6 6.573 -2.226 4.581 1.00 0.00 H new ATOM 0 HB ILE A 6 4.355 -1.598 3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.914 -4.560 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.390 -3.438 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.417 -2.803 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.845 -1.843 1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.984 -3.606 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.538 -4.851 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.230 -3.148 4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.762 -4.288 2.808 1.00 0.00 H new ATOM 97 N LEU A 7 7.085 -3.746 1.707 1.00 0.00 N ATOM 98 CA LEU A 7 7.687 -4.887 1.060 1.00 0.00 C ATOM 99 C LEU A 7 9.047 -4.504 0.493 1.00 0.00 C ATOM 100 O LEU A 7 9.852 -5.365 0.138 1.00 0.00 O ATOM 101 CB LEU A 7 6.742 -5.412 -0.030 1.00 0.00 C ATOM 102 CG LEU A 7 7.209 -5.237 -1.477 1.00 0.00 C ATOM 103 CD1 LEU A 7 8.073 -6.409 -1.911 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.014 -5.085 -2.398 1.00 0.00 C ATOM 0 H LEU A 7 6.718 -3.046 1.063 1.00 0.00 H new ATOM 0 HA LEU A 7 7.846 -5.686 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.571 -6.474 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.780 -4.912 0.082 1.00 0.00 H new ATOM 0 HG LEU A 7 7.813 -4.332 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.393 -6.263 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.949 -6.474 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.498 -7.332 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.359 -4.961 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.387 -5.974 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.435 -4.210 -2.102 1.00 0.00 H new ATOM 116 N ASN A 8 9.288 -3.196 0.404 1.00 0.00 N ATOM 117 CA ASN A 8 10.548 -2.680 -0.129 1.00 0.00 C ATOM 118 C ASN A 8 10.692 -3.048 -1.603 1.00 0.00 C ATOM 119 O ASN A 8 11.799 -3.288 -2.086 1.00 0.00 O ATOM 120 CB ASN A 8 11.739 -3.229 0.662 1.00 0.00 C ATOM 121 CG ASN A 8 11.635 -2.948 2.147 1.00 0.00 C ATOM 122 OD1 ASN A 8 10.725 -3.430 2.820 1.00 0.00 O ATOM 123 ND2 ASN A 8 12.571 -2.162 2.667 1.00 0.00 N ATOM 0 H ASN A 8 8.627 -2.475 0.694 1.00 0.00 H new ATOM 0 HA ASN A 8 10.536 -1.594 -0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.809 -4.305 0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.659 -2.789 0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.553 -1.937 3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.308 -1.784 2.072 1.00 0.00 H new ATOM 130 N ASN A 9 9.562 -3.089 -2.306 1.00 0.00 N ATOM 131 CA ASN A 9 9.537 -3.424 -3.726 1.00 0.00 C ATOM 132 C ASN A 9 10.049 -4.842 -3.971 1.00 0.00 C ATOM 133 O ASN A 9 11.129 -5.211 -3.515 1.00 0.00 O ATOM 134 CB ASN A 9 10.367 -2.417 -4.527 1.00 0.00 C ATOM 135 CG ASN A 9 9.852 -0.992 -4.398 1.00 0.00 C ATOM 136 OD1 ASN A 9 8.772 -0.808 -3.644 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 10.421 -0.064 -4.972 1.00 0.00 N flip ATOM 0 H ASN A 9 8.643 -2.892 -1.909 1.00 0.00 H new ATOM 0 HA ASN A 9 8.501 -3.376 -4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.402 -2.456 -4.189 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.364 -2.706 -5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.247 -0.247 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.066 0.888 -4.878 1.00 0.00 H new ATOM 144 N ILE A 10 9.264 -5.629 -4.701 1.00 0.00 N ATOM 145 CA ILE A 10 9.628 -7.009 -5.016 1.00 0.00 C ATOM 146 C ILE A 10 11.014 -7.088 -5.645 1.00 0.00 C ATOM 147 O ILE A 10 11.693 -8.101 -5.532 1.00 0.00 O ATOM 148 CB ILE A 10 8.605 -7.673 -5.956 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.573 -6.978 -7.325 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.226 -7.675 -5.312 1.00 0.00 C ATOM 151 CD1 ILE A 10 8.077 -5.549 -7.290 1.00 0.00 C ATOM 0 H ILE A 10 8.367 -5.334 -5.088 1.00 0.00 H new ATOM 0 HA ILE A 10 9.633 -7.549 -4.069 1.00 0.00 H new ATOM 0 HB ILE A 10 8.912 -8.706 -6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.577 -6.991 -7.749 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.936 -7.554 -7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.511 -8.147 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.263 -8.230 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.916 -6.649 -5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.087 -5.135 -8.298 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.060 -5.526 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.726 -4.954 -6.647 1.00 0.00 H new ATOM 163 N ARG A 11 11.430 -6.017 -6.312 1.00 0.00 N ATOM 164 CA ARG A 11 12.740 -5.988 -6.953 1.00 0.00 C ATOM 165 C ARG A 11 13.857 -6.164 -5.923 1.00 0.00 C ATOM 166 O ARG A 11 14.750 -6.995 -6.095 1.00 0.00 O ATOM 167 CB ARG A 11 12.925 -4.675 -7.722 1.00 0.00 C ATOM 168 CG ARG A 11 12.829 -3.430 -6.854 1.00 0.00 C ATOM 169 CD ARG A 11 12.912 -2.164 -7.693 1.00 0.00 C ATOM 170 NE ARG A 11 12.968 -0.959 -6.869 1.00 0.00 N ATOM 171 CZ ARG A 11 13.988 -0.660 -6.069 1.00 0.00 C ATOM 172 NH1 ARG A 11 15.040 -1.465 -5.998 1.00 0.00 N ATOM 173 NH2 ARG A 11 13.960 0.450 -5.344 1.00 0.00 N ATOM 0 H ARG A 11 10.884 -5.163 -6.423 1.00 0.00 H new ATOM 0 HA ARG A 11 12.794 -6.819 -7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.898 -4.688 -8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.171 -4.617 -8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.890 -3.441 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.633 -3.434 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.796 -2.209 -8.329 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.047 -2.111 -8.354 1.00 0.00 H new ATOM 0 HE ARG A 11 12.181 -0.311 -6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.069 -2.317 -6.558 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.820 -1.232 -5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.156 1.075 -5.399 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.742 0.679 -4.731 1.00 0.00 H new ATOM 187 N THR A 12 13.797 -5.383 -4.848 1.00 0.00 N ATOM 188 CA THR A 12 14.798 -5.458 -3.788 1.00 0.00 C ATOM 189 C THR A 12 14.506 -6.619 -2.843 1.00 0.00 C ATOM 190 O THR A 12 15.419 -7.310 -2.386 1.00 0.00 O ATOM 191 CB THR A 12 14.853 -4.151 -2.976 1.00 0.00 C ATOM 192 OG1 THR A 12 15.194 -3.055 -3.832 1.00 0.00 O ATOM 193 CG2 THR A 12 15.873 -4.254 -1.849 1.00 0.00 C ATOM 0 H THR A 12 13.065 -4.691 -4.688 1.00 0.00 H new ATOM 0 HA THR A 12 15.762 -5.617 -4.270 1.00 0.00 H new ATOM 0 HB THR A 12 13.868 -3.980 -2.541 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.225 -2.228 -3.308 1.00 0.00 H new ATOM 0 HG21 THR A 12 15.893 -3.318 -1.290 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.596 -5.070 -1.181 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.860 -4.448 -2.268 1.00 0.00 H new ATOM 201 N LEU A 13 13.225 -6.816 -2.543 1.00 0.00 N ATOM 202 CA LEU A 13 12.799 -7.880 -1.644 1.00 0.00 C ATOM 203 C LEU A 13 13.162 -9.256 -2.190 1.00 0.00 C ATOM 204 O LEU A 13 13.747 -10.074 -1.484 1.00 0.00 O ATOM 205 CB LEU A 13 11.289 -7.779 -1.384 1.00 0.00 C ATOM 206 CG LEU A 13 10.665 -8.939 -0.595 1.00 0.00 C ATOM 207 CD1 LEU A 13 10.284 -10.078 -1.529 1.00 0.00 C ATOM 208 CD2 LEU A 13 11.613 -9.434 0.489 1.00 0.00 C ATOM 0 H LEU A 13 12.462 -6.249 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 13 13.329 -7.755 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.094 -6.852 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.779 -7.702 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 13 9.761 -8.569 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.844 -10.891 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.561 -9.721 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.174 -10.440 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.147 -10.256 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.539 -9.781 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.833 -8.620 1.180 1.00 0.00 H new ATOM 220 N ARG A 14 12.808 -9.503 -3.444 1.00 0.00 N ATOM 221 CA ARG A 14 13.093 -10.777 -4.079 1.00 0.00 C ATOM 222 C ARG A 14 14.548 -11.177 -3.876 1.00 0.00 C ATOM 223 O ARG A 14 14.855 -12.351 -3.695 1.00 0.00 O ATOM 224 CB ARG A 14 12.787 -10.679 -5.570 1.00 0.00 C ATOM 225 CG ARG A 14 13.018 -11.964 -6.335 1.00 0.00 C ATOM 226 CD ARG A 14 12.748 -11.760 -7.812 1.00 0.00 C ATOM 227 NE ARG A 14 12.813 -13.012 -8.564 1.00 0.00 N ATOM 228 CZ ARG A 14 13.901 -13.773 -8.646 1.00 0.00 C ATOM 229 NH1 ARG A 14 15.020 -13.410 -8.033 1.00 0.00 N ATOM 230 NH2 ARG A 14 13.870 -14.901 -9.342 1.00 0.00 N ATOM 0 H ARG A 14 12.322 -8.834 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 14 12.465 -11.541 -3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.748 -10.375 -5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.405 -9.894 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.045 -12.300 -6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.368 -12.748 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.763 -11.312 -7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.474 -11.056 -8.218 1.00 0.00 H new ATOM 0 HE ARG A 14 11.974 -13.320 -9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.049 -12.544 -7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.851 -13.997 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.012 -15.185 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.704 -15.485 -9.405 1.00 0.00 H new ATOM 244 N ALA A 15 15.434 -10.188 -3.921 1.00 0.00 N ATOM 245 CA ALA A 15 16.864 -10.429 -3.759 1.00 0.00 C ATOM 246 C ALA A 15 17.265 -10.610 -2.301 1.00 0.00 C ATOM 247 O ALA A 15 17.962 -11.565 -1.958 1.00 0.00 O ATOM 248 CB ALA A 15 17.658 -9.290 -4.366 1.00 0.00 C ATOM 0 H ALA A 15 15.187 -9.210 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 15 17.089 -11.360 -4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.724 -9.481 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.428 -9.211 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.395 -8.357 -3.868 1.00 0.00 H new ATOM 254 N GLN A 16 16.833 -9.693 -1.444 1.00 0.00 N ATOM 255 CA GLN A 16 17.172 -9.774 -0.025 1.00 0.00 C ATOM 256 C GLN A 16 16.583 -11.037 0.575 1.00 0.00 C ATOM 257 O GLN A 16 17.079 -11.566 1.570 1.00 0.00 O ATOM 258 CB GLN A 16 16.668 -8.543 0.733 1.00 0.00 C ATOM 259 CG GLN A 16 15.159 -8.397 0.708 1.00 0.00 C ATOM 260 CD GLN A 16 14.674 -7.175 1.465 1.00 0.00 C ATOM 261 OE1 GLN A 16 13.994 -6.276 0.762 1.00 0.00 O flip ATOM 262 NE2 GLN A 16 14.904 -7.042 2.666 1.00 0.00 N flip ATOM 0 H GLN A 16 16.254 -8.893 -1.700 1.00 0.00 H new ATOM 0 HA GLN A 16 18.258 -9.805 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.003 -8.601 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.119 -7.650 0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.822 -8.335 -0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.705 -9.289 1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.430 -7.758 3.167 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.568 -6.216 3.161 1.00 0.00 H new ATOM 271 N ALA A 17 15.521 -11.513 -0.054 1.00 0.00 N ATOM 272 CA ALA A 17 14.842 -12.719 0.379 1.00 0.00 C ATOM 273 C ALA A 17 15.511 -13.943 -0.210 1.00 0.00 C ATOM 274 O ALA A 17 15.419 -15.033 0.347 1.00 0.00 O ATOM 275 CB ALA A 17 13.382 -12.682 -0.019 1.00 0.00 C ATOM 0 H ALA A 17 15.108 -11.074 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 17 14.904 -12.774 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.891 -13.596 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.900 -11.821 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.302 -12.603 -1.103 1.00 0.00 H new ATOM 281 N ARG A 18 16.183 -13.752 -1.348 1.00 0.00 N ATOM 282 CA ARG A 18 16.878 -14.854 -2.014 1.00 0.00 C ATOM 283 C ARG A 18 17.613 -15.714 -0.997 1.00 0.00 C ATOM 284 O ARG A 18 17.746 -16.926 -1.170 1.00 0.00 O ATOM 285 CB ARG A 18 17.883 -14.333 -3.050 1.00 0.00 C ATOM 286 CG ARG A 18 17.249 -13.758 -4.304 1.00 0.00 C ATOM 287 CD ARG A 18 16.451 -14.807 -5.063 1.00 0.00 C ATOM 288 NE ARG A 18 17.290 -15.917 -5.506 1.00 0.00 N ATOM 289 CZ ARG A 18 16.838 -16.944 -6.219 1.00 0.00 C ATOM 290 NH1 ARG A 18 15.561 -17.003 -6.568 1.00 0.00 N ATOM 291 NH2 ARG A 18 17.665 -17.916 -6.582 1.00 0.00 N ATOM 0 H ARG A 18 16.260 -12.853 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 18 16.124 -15.454 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.501 -13.565 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.548 -15.148 -3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.595 -12.929 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.026 -13.353 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.653 -15.188 -4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.975 -14.345 -5.928 1.00 0.00 H new ATOM 0 HE ARG A 18 18.278 -15.904 -5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.921 -16.259 -6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.218 -17.792 -7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.648 -17.876 -6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.317 -18.704 -7.129 1.00 0.00 H new ATOM 305 N GLU A 19 18.094 -15.073 0.063 1.00 0.00 N ATOM 306 CA GLU A 19 18.825 -15.778 1.111 1.00 0.00 C ATOM 307 C GLU A 19 17.879 -16.488 2.076 1.00 0.00 C ATOM 308 O GLU A 19 18.237 -16.749 3.226 1.00 0.00 O ATOM 309 CB GLU A 19 19.714 -14.801 1.878 1.00 0.00 C ATOM 310 CG GLU A 19 20.712 -14.081 0.989 1.00 0.00 C ATOM 311 CD GLU A 19 21.678 -13.214 1.773 1.00 0.00 C ATOM 312 OE1 GLU A 19 21.565 -13.172 3.018 1.00 0.00 O ATOM 313 OE2 GLU A 19 22.548 -12.576 1.144 1.00 0.00 O ATOM 0 H GLU A 19 17.992 -14.070 0.219 1.00 0.00 H new ATOM 0 HA GLU A 19 19.445 -16.535 0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.086 -14.065 2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.253 -15.343 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 19 21.275 -14.816 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 19 20.173 -13.461 0.273 1.00 0.00 H new ATOM 320 N SER A 20 16.678 -16.808 1.602 1.00 0.00 N ATOM 321 CA SER A 20 15.687 -17.497 2.424 1.00 0.00 C ATOM 322 C SER A 20 14.564 -18.073 1.561 1.00 0.00 C ATOM 323 O SER A 20 14.755 -18.335 0.372 1.00 0.00 O ATOM 324 CB SER A 20 15.100 -16.535 3.465 1.00 0.00 C ATOM 325 OG SER A 20 16.108 -16.018 4.316 1.00 0.00 O ATOM 0 H SER A 20 16.367 -16.601 0.653 1.00 0.00 H new ATOM 0 HA SER A 20 16.187 -18.320 2.935 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.592 -15.714 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.350 -17.055 4.061 1.00 0.00 H new ATOM 0 HG SER A 20 16.927 -16.546 4.212 1.00 0.00 H new ATOM 331 N THR A 21 13.393 -18.263 2.165 1.00 0.00 N ATOM 332 CA THR A 21 12.237 -18.802 1.455 1.00 0.00 C ATOM 333 C THR A 21 11.249 -17.700 1.106 1.00 0.00 C ATOM 334 O THR A 21 11.524 -16.519 1.317 1.00 0.00 O ATOM 335 CB THR A 21 11.512 -19.872 2.293 1.00 0.00 C ATOM 336 OG1 THR A 21 11.182 -19.342 3.583 1.00 0.00 O ATOM 337 CG2 THR A 21 12.373 -21.115 2.453 1.00 0.00 C ATOM 0 H THR A 21 13.220 -18.051 3.148 1.00 0.00 H new ATOM 0 HA THR A 21 12.613 -19.259 0.539 1.00 0.00 H new ATOM 0 HB THR A 21 10.598 -20.152 1.770 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.720 -20.027 4.110 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.837 -21.854 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.596 -21.532 1.471 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.304 -20.851 2.954 1.00 0.00 H new ATOM 345 N LEU A 22 10.087 -18.092 0.593 1.00 0.00 N ATOM 346 CA LEU A 22 9.059 -17.135 0.242 1.00 0.00 C ATOM 347 C LEU A 22 8.431 -16.587 1.512 1.00 0.00 C ATOM 348 O LEU A 22 7.732 -15.593 1.483 1.00 0.00 O ATOM 349 CB LEU A 22 7.994 -17.768 -0.663 1.00 0.00 C ATOM 350 CG LEU A 22 6.657 -18.086 0.008 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.616 -18.441 -1.039 1.00 0.00 C ATOM 352 CD2 LEU A 22 6.801 -19.213 1.020 1.00 0.00 C ATOM 0 H LEU A 22 9.840 -19.065 0.414 1.00 0.00 H new ATOM 0 HA LEU A 22 9.514 -16.318 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.808 -17.095 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.399 -18.690 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 22 6.328 -17.196 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.669 -18.665 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.482 -17.600 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.949 -19.313 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.834 -19.415 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.158 -20.111 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.515 -18.921 1.790 1.00 0.00 H new ATOM 364 N GLU A 23 8.681 -17.261 2.627 1.00 0.00 N ATOM 365 CA GLU A 23 8.128 -16.847 3.913 1.00 0.00 C ATOM 366 C GLU A 23 8.170 -15.327 4.058 1.00 0.00 C ATOM 367 O GLU A 23 7.332 -14.736 4.742 1.00 0.00 O ATOM 368 CB GLU A 23 8.905 -17.503 5.056 1.00 0.00 C ATOM 369 CG GLU A 23 8.370 -17.156 6.436 1.00 0.00 C ATOM 370 CD GLU A 23 9.164 -17.812 7.550 1.00 0.00 C ATOM 371 OE1 GLU A 23 10.380 -17.548 7.648 1.00 0.00 O ATOM 372 OE2 GLU A 23 8.567 -18.590 8.324 1.00 0.00 O ATOM 0 H GLU A 23 9.263 -18.097 2.668 1.00 0.00 H new ATOM 0 HA GLU A 23 7.088 -17.169 3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.879 -18.585 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.950 -17.200 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.390 -16.074 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.327 -17.466 6.506 1.00 0.00 H new ATOM 379 N THR A 24 9.135 -14.702 3.387 1.00 0.00 N ATOM 380 CA THR A 24 9.268 -13.251 3.417 1.00 0.00 C ATOM 381 C THR A 24 7.949 -12.586 3.038 1.00 0.00 C ATOM 382 O THR A 24 7.547 -11.595 3.652 1.00 0.00 O ATOM 383 CB THR A 24 10.385 -12.763 2.479 1.00 0.00 C ATOM 384 OG1 THR A 24 10.416 -11.332 2.462 1.00 0.00 O ATOM 385 CG2 THR A 24 10.182 -13.291 1.068 1.00 0.00 C ATOM 0 H THR A 24 9.834 -15.178 2.817 1.00 0.00 H new ATOM 0 HA THR A 24 9.535 -12.970 4.436 1.00 0.00 H new ATOM 0 HB THR A 24 11.335 -13.143 2.853 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.246 -11.018 2.877 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.986 -12.931 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.190 -14.381 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.225 -12.940 0.683 1.00 0.00 H new ATOM 393 N LEU A 25 7.259 -13.143 2.043 1.00 0.00 N ATOM 394 CA LEU A 25 5.973 -12.603 1.637 1.00 0.00 C ATOM 395 C LEU A 25 4.966 -12.791 2.757 1.00 0.00 C ATOM 396 O LEU A 25 4.226 -11.880 3.098 1.00 0.00 O ATOM 397 CB LEU A 25 5.460 -13.218 0.320 1.00 0.00 C ATOM 398 CG LEU A 25 5.633 -14.733 0.125 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.822 -15.536 1.129 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.229 -15.125 -1.286 1.00 0.00 C ATOM 0 H LEU A 25 7.568 -13.957 1.512 1.00 0.00 H new ATOM 0 HA LEU A 25 6.105 -11.539 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.398 -12.988 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.964 -12.714 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 25 6.686 -14.963 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.976 -16.601 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.144 -15.286 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.764 -15.298 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.355 -16.200 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.185 -14.859 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.857 -14.597 -2.004 1.00 0.00 H new ATOM 412 N GLU A 26 4.961 -13.963 3.365 1.00 0.00 N ATOM 413 CA GLU A 26 4.053 -14.209 4.464 1.00 0.00 C ATOM 414 C GLU A 26 4.284 -13.150 5.529 1.00 0.00 C ATOM 415 O GLU A 26 3.395 -12.833 6.317 1.00 0.00 O ATOM 416 CB GLU A 26 4.248 -15.620 5.024 1.00 0.00 C ATOM 417 CG GLU A 26 3.502 -15.874 6.324 1.00 0.00 C ATOM 418 CD GLU A 26 3.710 -17.280 6.852 1.00 0.00 C ATOM 419 OE1 GLU A 26 4.873 -17.645 7.124 1.00 0.00 O ATOM 420 OE2 GLU A 26 2.711 -18.015 6.992 1.00 0.00 O ATOM 0 H GLU A 26 5.566 -14.747 3.120 1.00 0.00 H new ATOM 0 HA GLU A 26 3.022 -14.147 4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.918 -16.345 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.312 -15.792 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.833 -15.156 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.437 -15.703 6.167 1.00 0.00 H new ATOM 427 N GLU A 27 5.489 -12.585 5.520 1.00 0.00 N ATOM 428 CA GLU A 27 5.847 -11.539 6.467 1.00 0.00 C ATOM 429 C GLU A 27 5.358 -10.176 5.984 1.00 0.00 C ATOM 430 O GLU A 27 4.668 -9.462 6.706 1.00 0.00 O ATOM 431 CB GLU A 27 7.364 -11.490 6.658 1.00 0.00 C ATOM 432 CG GLU A 27 7.983 -12.836 6.995 1.00 0.00 C ATOM 433 CD GLU A 27 7.517 -13.385 8.331 1.00 0.00 C ATOM 434 OE1 GLU A 27 6.738 -12.695 9.021 1.00 0.00 O ATOM 435 OE2 GLU A 27 7.940 -14.505 8.690 1.00 0.00 O ATOM 0 H GLU A 27 6.231 -12.836 4.867 1.00 0.00 H new ATOM 0 HA GLU A 27 5.367 -11.772 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.823 -11.107 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.598 -10.783 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.737 -13.550 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.068 -12.738 7.007 1.00 0.00 H new ATOM 442 N MET A 28 5.747 -9.815 4.763 1.00 0.00 N ATOM 443 CA MET A 28 5.373 -8.525 4.183 1.00 0.00 C ATOM 444 C MET A 28 4.051 -8.591 3.415 1.00 0.00 C ATOM 445 O MET A 28 3.197 -7.718 3.556 1.00 0.00 O ATOM 446 CB MET A 28 6.483 -8.027 3.257 1.00 0.00 C ATOM 447 CG MET A 28 7.845 -7.953 3.929 1.00 0.00 C ATOM 448 SD MET A 28 7.838 -6.919 5.407 1.00 0.00 S ATOM 449 CE MET A 28 9.547 -7.055 5.924 1.00 0.00 C ATOM 0 H MET A 28 6.322 -10.398 4.155 1.00 0.00 H new ATOM 0 HA MET A 28 5.236 -7.828 5.010 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.548 -8.688 2.393 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.217 -7.038 2.883 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.169 -8.959 4.196 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.574 -7.561 3.220 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.701 -6.468 6.829 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.784 -8.100 6.124 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.197 -6.680 5.133 1.00 0.00 H new ATOM 459 N LEU A 29 3.901 -9.628 2.599 1.00 0.00 N ATOM 460 CA LEU A 29 2.694 -9.825 1.786 1.00 0.00 C ATOM 461 C LEU A 29 1.449 -9.898 2.670 1.00 0.00 C ATOM 462 O LEU A 29 0.425 -9.287 2.366 1.00 0.00 O ATOM 463 CB LEU A 29 2.843 -11.114 0.966 1.00 0.00 C ATOM 464 CG LEU A 29 1.754 -11.386 -0.065 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.707 -10.284 -1.103 1.00 0.00 C ATOM 466 CD2 LEU A 29 1.991 -12.729 -0.734 1.00 0.00 C ATOM 0 H LEU A 29 4.605 -10.356 2.478 1.00 0.00 H new ATOM 0 HA LEU A 29 2.576 -8.976 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.803 -11.083 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.879 -11.957 1.656 1.00 0.00 H new ATOM 0 HG LEU A 29 0.793 -11.411 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.922 -10.500 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.497 -9.333 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.668 -10.225 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.207 -12.913 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.960 -12.721 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.976 -13.518 0.018 1.00 0.00 H new ATOM 478 N GLU A 30 1.543 -10.642 3.768 1.00 0.00 N ATOM 479 CA GLU A 30 0.420 -10.787 4.695 1.00 0.00 C ATOM 480 C GLU A 30 -0.019 -9.436 5.250 1.00 0.00 C ATOM 481 O GLU A 30 -1.204 -9.212 5.500 1.00 0.00 O ATOM 482 CB GLU A 30 0.795 -11.717 5.851 1.00 0.00 C ATOM 483 CG GLU A 30 -0.307 -11.877 6.887 1.00 0.00 C ATOM 484 CD GLU A 30 0.104 -12.761 8.047 1.00 0.00 C ATOM 485 OE1 GLU A 30 0.461 -13.933 7.805 1.00 0.00 O ATOM 486 OE2 GLU A 30 0.067 -12.282 9.200 1.00 0.00 O ATOM 0 H GLU A 30 2.383 -11.154 4.039 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.411 -11.220 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.049 -12.698 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.689 -11.332 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.589 -10.895 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.191 -12.300 6.409 1.00 0.00 H new ATOM 493 N LYS A 31 0.938 -8.541 5.452 1.00 0.00 N ATOM 494 CA LYS A 31 0.643 -7.217 5.984 1.00 0.00 C ATOM 495 C LYS A 31 0.268 -6.283 4.852 1.00 0.00 C ATOM 496 O LYS A 31 -0.485 -5.326 5.029 1.00 0.00 O ATOM 497 CB LYS A 31 1.850 -6.684 6.743 1.00 0.00 C ATOM 498 CG LYS A 31 2.557 -7.764 7.533 1.00 0.00 C ATOM 499 CD LYS A 31 1.631 -8.428 8.540 1.00 0.00 C ATOM 500 CE LYS A 31 2.303 -9.611 9.218 1.00 0.00 C ATOM 501 NZ LYS A 31 1.440 -10.212 10.271 1.00 0.00 N ATOM 0 H LYS A 31 1.925 -8.707 5.256 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.198 -7.282 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.550 -6.236 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.529 -5.893 7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.949 -8.517 6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.411 -7.332 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.328 -7.700 9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.724 -8.763 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.545 -10.368 8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.245 -9.288 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.028 -10.503 11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.740 -9.511 10.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.948 -11.043 9.884 1.00 0.00 H new ATOM 515 N LEU A 32 0.804 -6.588 3.685 1.00 0.00 N ATOM 516 CA LEU A 32 0.540 -5.812 2.495 1.00 0.00 C ATOM 517 C LEU A 32 -0.914 -5.968 2.094 1.00 0.00 C ATOM 518 O LEU A 32 -1.491 -5.096 1.450 1.00 0.00 O ATOM 519 CB LEU A 32 1.458 -6.262 1.372 1.00 0.00 C ATOM 520 CG LEU A 32 1.481 -5.331 0.164 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.764 -3.898 0.587 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.510 -5.806 -0.841 1.00 0.00 C ATOM 0 H LEU A 32 1.432 -7.378 3.539 1.00 0.00 H new ATOM 0 HA LEU A 32 0.733 -4.759 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.471 -6.355 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.151 -7.255 1.044 1.00 0.00 H new ATOM 0 HG LEU A 32 0.498 -5.352 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.775 -3.254 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.987 -3.561 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.733 -3.850 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.518 -5.134 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.496 -5.813 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.258 -6.814 -1.171 1.00 0.00 H new ATOM 534 N GLU A 33 -1.504 -7.088 2.484 1.00 0.00 N ATOM 535 CA GLU A 33 -2.905 -7.342 2.177 1.00 0.00 C ATOM 536 C GLU A 33 -3.790 -6.720 3.247 1.00 0.00 C ATOM 537 O GLU A 33 -4.843 -6.170 2.942 1.00 0.00 O ATOM 538 CB GLU A 33 -3.182 -8.841 2.041 1.00 0.00 C ATOM 539 CG GLU A 33 -3.220 -9.600 3.363 1.00 0.00 C ATOM 540 CD GLU A 33 -4.563 -9.503 4.064 1.00 0.00 C ATOM 541 OE1 GLU A 33 -5.486 -8.875 3.502 1.00 0.00 O ATOM 542 OE2 GLU A 33 -4.697 -10.069 5.170 1.00 0.00 O ATOM 0 H GLU A 33 -1.040 -7.830 3.009 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.137 -6.881 1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.136 -8.976 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.415 -9.283 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.987 -10.649 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.444 -9.211 4.022 1.00 0.00 H new ATOM 549 N VAL A 34 -3.351 -6.807 4.506 1.00 0.00 N ATOM 550 CA VAL A 34 -4.112 -6.237 5.608 1.00 0.00 C ATOM 551 C VAL A 34 -4.124 -4.720 5.499 1.00 0.00 C ATOM 552 O VAL A 34 -5.126 -4.074 5.815 1.00 0.00 O ATOM 553 CB VAL A 34 -3.569 -6.650 6.994 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.505 -8.163 7.116 1.00 0.00 C ATOM 555 CG2 VAL A 34 -2.210 -6.024 7.261 1.00 0.00 C ATOM 0 H VAL A 34 -2.481 -7.263 4.780 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.125 -6.632 5.528 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.259 -6.276 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.120 -8.433 8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.504 -8.581 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.845 -8.563 6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.854 -6.333 8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.503 -6.351 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.298 -4.938 7.232 1.00 0.00 H new ATOM 565 N VAL A 35 -3.010 -4.155 5.024 1.00 0.00 N ATOM 566 CA VAL A 35 -2.920 -2.714 4.849 1.00 0.00 C ATOM 567 C VAL A 35 -4.058 -2.264 3.948 1.00 0.00 C ATOM 568 O VAL A 35 -4.684 -1.226 4.176 1.00 0.00 O ATOM 569 CB VAL A 35 -1.558 -2.276 4.259 1.00 0.00 C ATOM 570 CG1 VAL A 35 -1.333 -2.883 2.890 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.462 -0.764 4.183 1.00 0.00 C ATOM 0 H VAL A 35 -2.171 -4.671 4.759 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.000 -2.242 5.828 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.778 -2.641 4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.368 -2.557 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.344 -3.970 2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.124 -2.559 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.496 -0.481 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.259 -0.380 3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.562 -0.342 5.183 1.00 0.00 H new ATOM 581 N VAL A 36 -4.358 -3.088 2.944 1.00 0.00 N ATOM 582 CA VAL A 36 -5.464 -2.806 2.047 1.00 0.00 C ATOM 583 C VAL A 36 -6.756 -3.351 2.642 1.00 0.00 C ATOM 584 O VAL A 36 -7.821 -2.778 2.475 1.00 0.00 O ATOM 585 CB VAL A 36 -5.272 -3.368 0.620 1.00 0.00 C ATOM 586 CG1 VAL A 36 -5.219 -2.221 -0.377 1.00 0.00 C ATOM 587 CG2 VAL A 36 -4.038 -4.257 0.510 1.00 0.00 C ATOM 0 H VAL A 36 -3.851 -3.949 2.737 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.509 -1.722 1.946 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.127 -4.003 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.084 -2.619 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.151 -1.657 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.385 -1.564 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.946 -4.627 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.150 -3.680 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.135 -5.100 1.194 1.00 0.00 H new ATOM 597 N ASN A 37 -6.660 -4.450 3.375 1.00 0.00 N ATOM 598 CA ASN A 37 -7.836 -5.022 4.012 1.00 0.00 C ATOM 599 C ASN A 37 -8.643 -3.897 4.619 1.00 0.00 C ATOM 600 O ASN A 37 -9.868 -3.852 4.517 1.00 0.00 O ATOM 601 CB ASN A 37 -7.416 -6.012 5.094 1.00 0.00 C ATOM 602 CG ASN A 37 -8.591 -6.684 5.771 1.00 0.00 C ATOM 603 OD1 ASN A 37 -9.427 -7.310 5.118 1.00 0.00 O ATOM 604 ND2 ASN A 37 -8.655 -6.561 7.091 1.00 0.00 N ATOM 0 H ASN A 37 -5.792 -4.958 3.542 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.437 -5.556 3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.774 -6.774 4.652 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.821 -5.491 5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.420 -6.995 7.607 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.939 -6.032 7.589 1.00 0.00 H new ATOM 611 N GLU A 38 -7.918 -2.963 5.212 1.00 0.00 N ATOM 612 CA GLU A 38 -8.524 -1.786 5.812 1.00 0.00 C ATOM 613 C GLU A 38 -8.731 -0.706 4.755 1.00 0.00 C ATOM 614 O GLU A 38 -9.790 -0.081 4.688 1.00 0.00 O ATOM 615 CB GLU A 38 -7.643 -1.249 6.937 1.00 0.00 C ATOM 616 CG GLU A 38 -7.414 -2.245 8.062 1.00 0.00 C ATOM 617 CD GLU A 38 -6.536 -1.687 9.165 1.00 0.00 C ATOM 618 OE1 GLU A 38 -6.919 -0.664 9.770 1.00 0.00 O ATOM 619 OE2 GLU A 38 -5.463 -2.273 9.423 1.00 0.00 O ATOM 0 H GLU A 38 -6.902 -2.998 5.291 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.491 -2.068 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.679 -0.955 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.101 -0.349 7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.375 -2.540 8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.953 -3.146 7.657 1.00 0.00 H new ATOM 626 N ARG A 39 -7.705 -0.493 3.931 1.00 0.00 N ATOM 627 CA ARG A 39 -7.764 0.511 2.873 1.00 0.00 C ATOM 628 C ARG A 39 -8.662 0.062 1.729 1.00 0.00 C ATOM 629 O ARG A 39 -9.632 0.718 1.386 1.00 0.00 O ATOM 630 CB ARG A 39 -6.363 0.801 2.326 1.00 0.00 C ATOM 631 CG ARG A 39 -5.959 2.259 2.407 1.00 0.00 C ATOM 632 CD ARG A 39 -7.170 3.173 2.344 1.00 0.00 C ATOM 633 NE ARG A 39 -7.769 3.365 3.664 1.00 0.00 N ATOM 634 CZ ARG A 39 -8.815 4.152 3.900 1.00 0.00 C ATOM 635 NH1 ARG A 39 -9.401 4.802 2.906 1.00 0.00 N ATOM 636 NH2 ARG A 39 -9.276 4.284 5.135 1.00 0.00 N ATOM 0 H ARG A 39 -6.823 -1.004 3.977 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.181 1.417 3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.638 0.203 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.317 0.479 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.415 2.437 3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.279 2.496 1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.876 4.139 1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.911 2.750 1.666 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.359 2.864 4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.051 4.700 1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.203 5.404 3.093 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.829 3.783 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.078 4.887 5.318 1.00 0.00 H new ATOM 650 N ARG A 40 -8.316 -1.064 1.147 1.00 0.00 N ATOM 651 CA ARG A 40 -9.065 -1.638 0.030 1.00 0.00 C ATOM 652 C ARG A 40 -10.574 -1.530 0.272 1.00 0.00 C ATOM 653 O ARG A 40 -11.341 -1.266 -0.655 1.00 0.00 O ATOM 654 CB ARG A 40 -8.673 -3.114 -0.141 1.00 0.00 C ATOM 655 CG ARG A 40 -8.690 -3.627 -1.575 1.00 0.00 C ATOM 656 CD ARG A 40 -10.038 -3.412 -2.243 1.00 0.00 C ATOM 657 NE ARG A 40 -11.115 -4.109 -1.543 1.00 0.00 N ATOM 658 CZ ARG A 40 -12.386 -4.078 -1.931 1.00 0.00 C ATOM 659 NH1 ARG A 40 -12.738 -3.388 -3.008 1.00 0.00 N ATOM 660 NH2 ARG A 40 -13.307 -4.739 -1.242 1.00 0.00 N ATOM 0 H ARG A 40 -7.506 -1.616 1.429 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.822 -1.082 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.673 -3.257 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.351 -3.725 0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.916 -3.119 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.448 -4.690 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.259 -2.345 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.991 -3.761 -3.274 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.878 -4.649 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.033 -2.879 -3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.714 -3.366 -3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.040 -5.271 -0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.282 -4.715 -1.540 1.00 0.00 H new ATOM 674 N GLU A 41 -10.996 -1.747 1.518 1.00 0.00 N ATOM 675 CA GLU A 41 -12.420 -1.690 1.862 1.00 0.00 C ATOM 676 C GLU A 41 -12.923 -0.266 2.143 1.00 0.00 C ATOM 677 O GLU A 41 -13.987 0.123 1.663 1.00 0.00 O ATOM 678 CB GLU A 41 -12.706 -2.579 3.074 1.00 0.00 C ATOM 679 CG GLU A 41 -12.400 -4.049 2.841 1.00 0.00 C ATOM 680 CD GLU A 41 -12.785 -4.919 4.022 1.00 0.00 C ATOM 681 OE1 GLU A 41 -12.265 -4.680 5.131 1.00 0.00 O ATOM 682 OE2 GLU A 41 -13.607 -5.840 3.837 1.00 0.00 O ATOM 0 H GLU A 41 -10.379 -1.962 2.301 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.960 -2.053 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.117 -2.224 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.755 -2.475 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.933 -4.391 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.335 -4.167 2.639 1.00 0.00 H new ATOM 689 N GLU A 42 -12.178 0.497 2.941 1.00 0.00 N ATOM 690 CA GLU A 42 -12.587 1.858 3.300 1.00 0.00 C ATOM 691 C GLU A 42 -12.302 2.849 2.179 1.00 0.00 C ATOM 692 O GLU A 42 -13.098 3.745 1.904 1.00 0.00 O ATOM 693 CB GLU A 42 -11.872 2.302 4.579 1.00 0.00 C ATOM 694 CG GLU A 42 -12.298 3.676 5.076 1.00 0.00 C ATOM 695 CD GLU A 42 -13.756 3.726 5.492 1.00 0.00 C ATOM 696 OE1 GLU A 42 -14.630 3.494 4.631 1.00 0.00 O ATOM 697 OE2 GLU A 42 -14.025 3.998 6.680 1.00 0.00 O ATOM 0 H GLU A 42 -11.292 0.200 3.351 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.664 1.844 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.060 1.568 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.797 2.308 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.674 3.960 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.124 4.411 4.290 1.00 0.00 H new ATOM 704 N GLU A 43 -11.154 2.685 1.551 1.00 0.00 N ATOM 705 CA GLU A 43 -10.732 3.556 0.464 1.00 0.00 C ATOM 706 C GLU A 43 -11.786 3.591 -0.633 1.00 0.00 C ATOM 707 O GLU A 43 -12.195 4.663 -1.082 1.00 0.00 O ATOM 708 CB GLU A 43 -9.401 3.082 -0.099 1.00 0.00 C ATOM 709 CG GLU A 43 -8.717 4.113 -0.976 1.00 0.00 C ATOM 710 CD GLU A 43 -8.633 5.476 -0.320 1.00 0.00 C ATOM 711 OE1 GLU A 43 -7.929 5.602 0.703 1.00 0.00 O ATOM 712 OE2 GLU A 43 -9.276 6.418 -0.828 1.00 0.00 O ATOM 0 H GLU A 43 -10.487 1.947 1.777 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.610 4.566 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.738 2.820 0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.563 2.173 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.712 3.768 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.259 4.200 -1.917 1.00 0.00 H new ATOM 719 N SER A 44 -12.245 2.409 -1.045 1.00 0.00 N ATOM 720 CA SER A 44 -13.278 2.316 -2.067 1.00 0.00 C ATOM 721 C SER A 44 -14.501 3.080 -1.592 1.00 0.00 C ATOM 722 O SER A 44 -15.179 3.758 -2.368 1.00 0.00 O ATOM 723 CB SER A 44 -13.638 0.853 -2.341 1.00 0.00 C ATOM 724 OG SER A 44 -14.643 0.753 -3.334 1.00 0.00 O ATOM 0 H SER A 44 -11.918 1.511 -0.688 1.00 0.00 H new ATOM 0 HA SER A 44 -12.909 2.748 -2.997 1.00 0.00 H new ATOM 0 HB2 SER A 44 -12.749 0.311 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.983 0.382 -1.421 1.00 0.00 H new ATOM 0 HG SER A 44 -14.854 -0.191 -3.492 1.00 0.00 H new ATOM 730 N ALA A 45 -14.750 2.979 -0.291 1.00 0.00 N ATOM 731 CA ALA A 45 -15.858 3.669 0.342 1.00 0.00 C ATOM 732 C ALA A 45 -15.677 5.176 0.209 1.00 0.00 C ATOM 733 O ALA A 45 -16.632 5.912 -0.041 1.00 0.00 O ATOM 734 CB ALA A 45 -15.940 3.267 1.807 1.00 0.00 C ATOM 0 H ALA A 45 -14.189 2.417 0.349 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.789 3.389 -0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.773 3.786 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.094 2.191 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.011 3.536 2.311 1.00 0.00 H new ATOM 740 N ALA A 46 -14.430 5.619 0.368 1.00 0.00 N ATOM 741 CA ALA A 46 -14.093 7.031 0.257 1.00 0.00 C ATOM 742 C ALA A 46 -14.386 7.543 -1.146 1.00 0.00 C ATOM 743 O ALA A 46 -14.909 8.642 -1.322 1.00 0.00 O ATOM 744 CB ALA A 46 -12.625 7.249 0.602 1.00 0.00 C ATOM 0 H ALA A 46 -13.635 5.014 0.575 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.708 7.590 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.384 8.309 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.438 6.917 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.001 6.678 -0.086 1.00 0.00 H new ATOM 947 N GLU B 2 -10.344 -7.821 -1.902 1.00 0.00 N ATOM 948 CA GLU B 2 -9.423 -7.753 -3.028 1.00 0.00 C ATOM 949 C GLU B 2 -7.988 -7.965 -2.562 1.00 0.00 C ATOM 950 O GLU B 2 -7.186 -8.580 -3.258 1.00 0.00 O ATOM 951 CB GLU B 2 -9.549 -6.404 -3.740 1.00 0.00 C ATOM 952 CG GLU B 2 -8.646 -6.264 -4.956 1.00 0.00 C ATOM 953 CD GLU B 2 -8.994 -7.237 -6.067 1.00 0.00 C ATOM 954 OE1 GLU B 2 -9.971 -7.999 -5.910 1.00 0.00 O ATOM 955 OE2 GLU B 2 -8.291 -7.233 -7.099 1.00 0.00 O ATOM 0 HA GLU B 2 -9.682 -8.547 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -10.584 -6.263 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -9.317 -5.608 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -8.715 -5.245 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -7.611 -6.422 -4.653 1.00 0.00 H new ATOM 962 N ALA B 3 -7.682 -7.454 -1.375 1.00 0.00 N ATOM 963 CA ALA B 3 -6.347 -7.586 -0.795 1.00 0.00 C ATOM 964 C ALA B 3 -6.146 -8.987 -0.244 1.00 0.00 C ATOM 965 O ALA B 3 -5.034 -9.500 -0.148 1.00 0.00 O ATOM 966 CB ALA B 3 -6.156 -6.562 0.308 1.00 0.00 C ATOM 0 H ALA B 3 -8.343 -6.941 -0.791 1.00 0.00 H new ATOM 0 HA ALA B 3 -5.608 -7.409 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.158 -6.668 0.734 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.270 -5.559 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -6.902 -6.722 1.086 1.00 0.00 H new ATOM 972 N LEU B 4 -7.254 -9.573 0.130 1.00 0.00 N ATOM 973 CA LEU B 4 -7.303 -10.901 0.694 1.00 0.00 C ATOM 974 C LEU B 4 -7.156 -11.947 -0.405 1.00 0.00 C ATOM 975 O LEU B 4 -6.407 -12.914 -0.267 1.00 0.00 O ATOM 976 CB LEU B 4 -8.645 -11.065 1.407 1.00 0.00 C ATOM 977 CG LEU B 4 -8.881 -10.144 2.618 1.00 0.00 C ATOM 978 CD1 LEU B 4 -8.462 -8.704 2.336 1.00 0.00 C ATOM 979 CD2 LEU B 4 -10.344 -10.186 3.010 1.00 0.00 C ATOM 0 H LEU B 4 -8.170 -9.131 0.050 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.484 -11.039 1.400 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.442 -10.893 0.684 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.734 -12.099 1.739 1.00 0.00 H new ATOM 0 HG LEU B 4 -8.262 -10.509 3.438 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.647 -8.092 3.219 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.400 -8.675 2.091 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -9.039 -8.315 1.497 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -10.510 -9.534 3.867 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -10.955 -9.848 2.173 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.621 -11.207 3.272 1.00 0.00 H new ATOM 991 N LYS B 5 -7.886 -11.734 -1.496 1.00 0.00 N ATOM 992 CA LYS B 5 -7.862 -12.633 -2.637 1.00 0.00 C ATOM 993 C LYS B 5 -6.619 -12.393 -3.494 1.00 0.00 C ATOM 994 O LYS B 5 -6.053 -13.335 -4.050 1.00 0.00 O ATOM 995 CB LYS B 5 -9.141 -12.454 -3.463 1.00 0.00 C ATOM 996 CG LYS B 5 -9.283 -13.455 -4.596 1.00 0.00 C ATOM 997 CD LYS B 5 -8.398 -13.090 -5.772 1.00 0.00 C ATOM 998 CE LYS B 5 -8.919 -11.868 -6.510 1.00 0.00 C ATOM 999 NZ LYS B 5 -8.056 -11.506 -7.667 1.00 0.00 N ATOM 0 H LYS B 5 -8.508 -10.934 -1.610 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.819 -13.660 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -10.004 -12.541 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -9.157 -11.446 -3.877 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -9.022 -14.451 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -10.323 -13.495 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -7.385 -12.897 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -8.341 -13.934 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -9.933 -12.061 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -8.975 -11.025 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -8.447 -10.668 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -7.094 -11.297 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -8.023 -12.300 -8.337 1.00 0.00 H new ATOM 1013 N ILE B 6 -6.186 -11.133 -3.583 1.00 0.00 N ATOM 1014 CA ILE B 6 -5.005 -10.787 -4.357 1.00 0.00 C ATOM 1015 C ILE B 6 -3.852 -11.645 -3.896 1.00 0.00 C ATOM 1016 O ILE B 6 -3.046 -12.140 -4.682 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.610 -9.310 -4.144 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.511 -8.903 -5.118 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -4.141 -9.089 -2.718 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -2.894 -7.566 -4.792 1.00 0.00 C ATOM 0 H ILE B 6 -6.639 -10.341 -3.127 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.229 -10.949 -5.411 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.489 -8.692 -4.329 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -2.732 -9.666 -5.116 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -3.922 -8.870 -6.127 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.866 -8.043 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -4.944 -9.345 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.275 -9.720 -2.518 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -2.119 -7.335 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -3.663 -6.794 -4.822 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.454 -7.602 -3.795 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.810 -11.793 -2.591 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.803 -12.562 -1.918 1.00 0.00 C ATOM 1034 C LEU B 7 -3.241 -14.007 -1.830 1.00 0.00 C ATOM 1035 O LEU B 7 -2.419 -14.919 -1.729 1.00 0.00 O ATOM 1036 CB LEU B 7 -2.636 -11.997 -0.505 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.321 -12.294 0.213 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -1.335 -11.638 1.576 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.056 -13.779 0.344 1.00 0.00 C ATOM 0 H LEU B 7 -4.492 -11.371 -1.960 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.861 -12.508 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.756 -10.915 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.451 -12.379 0.110 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.511 -11.883 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.398 -11.848 2.091 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.451 -10.560 1.460 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -2.166 -12.032 2.161 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.109 -13.935 0.861 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.861 -14.244 0.913 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.006 -14.229 -0.648 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.555 -14.203 -1.804 1.00 0.00 N ATOM 1052 CA ASN B 8 -5.103 -15.539 -1.643 1.00 0.00 C ATOM 1053 C ASN B 8 -4.621 -16.047 -0.286 1.00 0.00 C ATOM 1054 O ASN B 8 -4.658 -17.237 0.021 1.00 0.00 O ATOM 1055 CB ASN B 8 -4.640 -16.463 -2.778 1.00 0.00 C ATOM 1056 CG ASN B 8 -5.409 -17.772 -2.826 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -5.357 -18.574 -1.893 1.00 0.00 O ATOM 1058 ND2 ASN B 8 -6.129 -17.992 -3.918 1.00 0.00 N ATOM 0 H ASN B 8 -5.250 -13.462 -1.891 1.00 0.00 H new ATOM 0 HA ASN B 8 -6.192 -15.522 -1.685 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -4.754 -15.945 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -3.578 -16.676 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -6.668 -18.853 -4.008 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -6.144 -17.300 -4.667 1.00 0.00 H new ATOM 1065 N ASN B 9 -4.162 -15.081 0.515 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.643 -15.313 1.856 1.00 0.00 C ATOM 1067 C ASN B 9 -2.380 -16.168 1.842 1.00 0.00 C ATOM 1068 O ASN B 9 -2.326 -17.221 1.209 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.711 -15.946 2.751 1.00 0.00 C ATOM 1070 CG ASN B 9 -5.940 -15.065 2.916 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -5.922 -13.885 2.303 1.00 0.00 O flip ATOM 1072 ND2 ASN B 9 -6.898 -15.445 3.589 1.00 0.00 N flip ATOM 0 H ASN B 9 -4.143 -14.099 0.240 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.373 -14.341 2.268 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -5.011 -16.905 2.328 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.282 -16.150 3.732 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -6.872 -16.358 4.043 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -7.718 -14.847 3.692 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.362 -15.681 2.550 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.072 -16.356 2.646 1.00 0.00 C ATOM 1081 C ILE B 10 -0.228 -17.805 3.091 1.00 0.00 C ATOM 1082 O ILE B 10 0.572 -18.662 2.726 1.00 0.00 O ATOM 1083 CB ILE B 10 0.878 -15.618 3.611 1.00 0.00 C ATOM 1084 CG1 ILE B 10 0.325 -15.619 5.043 1.00 0.00 C ATOM 1085 CG2 ILE B 10 1.109 -14.194 3.121 1.00 0.00 C ATOM 1086 CD1 ILE B 10 -0.914 -14.767 5.234 1.00 0.00 C ATOM 0 H ILE B 10 -1.410 -14.807 3.073 1.00 0.00 H new ATOM 0 HA ILE B 10 0.363 -16.345 1.646 1.00 0.00 H new ATOM 0 HB ILE B 10 1.832 -16.145 3.628 1.00 0.00 H new ATOM 0 HG12 ILE B 10 0.094 -16.645 5.330 1.00 0.00 H new ATOM 0 HG13 ILE B 10 1.102 -15.266 5.720 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.781 -13.678 3.807 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.555 -14.219 2.127 1.00 0.00 H new ATOM 0 HG23 ILE B 10 0.157 -13.665 3.079 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -1.238 -14.824 6.273 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -0.686 -13.731 4.981 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -1.710 -15.132 4.585 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.264 -18.080 3.877 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.516 -19.433 4.353 1.00 0.00 C ATOM 1100 C ARG B 11 -1.620 -20.403 3.176 1.00 0.00 C ATOM 1101 O ARG B 11 -1.021 -21.480 3.185 1.00 0.00 O ATOM 1102 CB ARG B 11 -2.803 -19.471 5.181 1.00 0.00 C ATOM 1103 CG ARG B 11 -4.007 -18.886 4.460 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.273 -18.946 5.305 1.00 0.00 C ATOM 1105 NE ARG B 11 -5.762 -20.312 5.492 1.00 0.00 N ATOM 1106 CZ ARG B 11 -5.274 -21.166 6.391 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -4.334 -20.780 7.243 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -5.746 -22.403 6.452 1.00 0.00 N ATOM 0 H ARG B 11 -1.940 -17.386 4.196 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.681 -19.739 4.984 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -3.020 -20.504 5.454 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -2.644 -18.923 6.110 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.800 -17.850 4.193 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.169 -19.428 3.529 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -5.076 -18.498 6.279 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -6.051 -18.348 4.830 1.00 0.00 H new ATOM 0 HE ARG B 11 -6.526 -20.631 4.896 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -3.980 -19.824 7.213 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -3.965 -21.439 7.928 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -6.482 -22.700 5.811 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -5.373 -23.058 7.140 1.00 0.00 H new ATOM 1122 N THR B 12 -2.379 -20.004 2.162 1.00 0.00 N ATOM 1123 CA THR B 12 -2.566 -20.822 0.971 1.00 0.00 C ATOM 1124 C THR B 12 -1.443 -20.596 -0.039 1.00 0.00 C ATOM 1125 O THR B 12 -1.006 -21.529 -0.715 1.00 0.00 O ATOM 1126 CB THR B 12 -3.919 -20.525 0.296 1.00 0.00 C ATOM 1127 OG1 THR B 12 -4.992 -20.796 1.207 1.00 0.00 O ATOM 1128 CG2 THR B 12 -4.095 -21.362 -0.962 1.00 0.00 C ATOM 0 H THR B 12 -2.877 -19.114 2.142 1.00 0.00 H new ATOM 0 HA THR B 12 -2.549 -21.862 1.296 1.00 0.00 H new ATOM 0 HB THR B 12 -3.935 -19.471 0.017 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.848 -20.603 0.771 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.058 -21.134 -1.419 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.295 -21.133 -1.666 1.00 0.00 H new ATOM 0 HG23 THR B 12 -4.058 -22.420 -0.703 1.00 0.00 H new ATOM 1136 N LEU B 13 -0.995 -19.348 -0.151 1.00 0.00 N ATOM 1137 CA LEU B 13 0.062 -18.997 -1.093 1.00 0.00 C ATOM 1138 C LEU B 13 1.364 -19.714 -0.762 1.00 0.00 C ATOM 1139 O LEU B 13 1.932 -20.396 -1.610 1.00 0.00 O ATOM 1140 CB LEU B 13 0.287 -17.481 -1.110 1.00 0.00 C ATOM 1141 CG LEU B 13 1.217 -16.974 -2.219 1.00 0.00 C ATOM 1142 CD1 LEU B 13 1.157 -15.459 -2.307 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.651 -17.431 -1.980 1.00 0.00 C ATOM 0 H LEU B 13 -1.348 -18.564 0.399 1.00 0.00 H new ATOM 0 HA LEU B 13 -0.260 -19.320 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.679 -16.987 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.698 -17.179 -0.146 1.00 0.00 H new ATOM 0 HG LEU B 13 0.878 -17.396 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU B 13 1.822 -15.114 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.136 -15.148 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.469 -15.027 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.290 -17.058 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU B 13 3.002 -17.042 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.688 -18.520 -1.964 1.00 0.00 H new ATOM 1155 N ARG B 14 1.837 -19.546 0.466 1.00 0.00 N ATOM 1156 CA ARG B 14 3.078 -20.165 0.906 1.00 0.00 C ATOM 1157 C ARG B 14 3.131 -21.639 0.522 1.00 0.00 C ATOM 1158 O ARG B 14 4.206 -22.189 0.293 1.00 0.00 O ATOM 1159 CB ARG B 14 3.206 -20.010 2.419 1.00 0.00 C ATOM 1160 CG ARG B 14 4.401 -20.722 3.019 1.00 0.00 C ATOM 1161 CD ARG B 14 4.437 -20.525 4.522 1.00 0.00 C ATOM 1162 NE ARG B 14 5.535 -21.254 5.151 1.00 0.00 N ATOM 1163 CZ ARG B 14 6.822 -21.023 4.899 1.00 0.00 C ATOM 1164 NH1 ARG B 14 7.174 -20.074 4.043 1.00 0.00 N ATOM 1165 NH2 ARG B 14 7.756 -21.738 5.510 1.00 0.00 N ATOM 0 H ARG B 14 1.375 -18.982 1.179 1.00 0.00 H new ATOM 0 HA ARG B 14 3.911 -19.666 0.411 1.00 0.00 H new ATOM 0 HB2 ARG B 14 3.271 -18.949 2.660 1.00 0.00 H new ATOM 0 HB3 ARG B 14 2.298 -20.388 2.889 1.00 0.00 H new ATOM 0 HG2 ARG B 14 4.352 -21.786 2.787 1.00 0.00 H new ATOM 0 HG3 ARG B 14 5.320 -20.341 2.574 1.00 0.00 H new ATOM 0 HD2 ARG B 14 4.535 -19.462 4.745 1.00 0.00 H new ATOM 0 HD3 ARG B 14 3.491 -20.855 4.952 1.00 0.00 H new ATOM 0 HE ARG B 14 5.302 -21.984 5.824 1.00 0.00 H new ATOM 0 HH11 ARG B 14 6.458 -19.518 3.575 1.00 0.00 H new ATOM 0 HH12 ARG B 14 8.161 -19.900 3.852 1.00 0.00 H new ATOM 0 HH21 ARG B 14 7.489 -22.465 6.173 1.00 0.00 H new ATOM 0 HH22 ARG B 14 8.742 -21.561 5.317 1.00 0.00 H new ATOM 1179 N ALA B 15 1.966 -22.267 0.462 1.00 0.00 N ATOM 1180 CA ALA B 15 1.872 -23.682 0.118 1.00 0.00 C ATOM 1181 C ALA B 15 1.824 -23.906 -1.388 1.00 0.00 C ATOM 1182 O ALA B 15 2.573 -24.722 -1.927 1.00 0.00 O ATOM 1183 CB ALA B 15 0.643 -24.289 0.759 1.00 0.00 C ATOM 0 H ALA B 15 1.069 -21.819 0.647 1.00 0.00 H new ATOM 0 HA ALA B 15 2.771 -24.168 0.498 1.00 0.00 H new ATOM 0 HB1 ALA B 15 0.580 -25.345 0.497 1.00 0.00 H new ATOM 0 HB2 ALA B 15 0.710 -24.187 1.842 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.247 -23.773 0.400 1.00 0.00 H new ATOM 1189 N GLN B 16 0.933 -23.191 -2.066 1.00 0.00 N ATOM 1190 CA GLN B 16 0.791 -23.331 -3.512 1.00 0.00 C ATOM 1191 C GLN B 16 2.076 -22.910 -4.201 1.00 0.00 C ATOM 1192 O GLN B 16 2.466 -23.465 -5.229 1.00 0.00 O ATOM 1193 CB GLN B 16 -0.384 -22.491 -4.024 1.00 0.00 C ATOM 1194 CG GLN B 16 -0.218 -21.006 -3.758 1.00 0.00 C ATOM 1195 CD GLN B 16 -1.394 -20.175 -4.238 1.00 0.00 C ATOM 1196 OE1 GLN B 16 -2.017 -19.441 -3.319 1.00 0.00 O flip ATOM 1197 NE2 GLN B 16 -1.736 -20.187 -5.421 1.00 0.00 N flip ATOM 0 H GLN B 16 0.301 -22.512 -1.641 1.00 0.00 H new ATOM 0 HA GLN B 16 0.590 -24.377 -3.742 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -0.497 -22.651 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -1.303 -22.838 -3.552 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -0.083 -20.848 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN B 16 0.690 -20.655 -4.248 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -1.230 -20.765 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -2.525 -19.619 -5.729 1.00 0.00 H new ATOM 1206 N ALA B 17 2.728 -21.929 -3.604 1.00 0.00 N ATOM 1207 CA ALA B 17 3.982 -21.408 -4.111 1.00 0.00 C ATOM 1208 C ALA B 17 5.141 -22.229 -3.592 1.00 0.00 C ATOM 1209 O ALA B 17 6.212 -22.251 -4.191 1.00 0.00 O ATOM 1210 CB ALA B 17 4.155 -19.959 -3.712 1.00 0.00 C ATOM 0 H ALA B 17 2.402 -21.471 -2.753 1.00 0.00 H new ATOM 0 HA ALA B 17 3.964 -21.471 -5.199 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.102 -19.585 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA B 17 3.336 -19.368 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.152 -19.878 -2.625 1.00 0.00 H new ATOM 1216 N ARG B 18 4.916 -22.896 -2.462 1.00 0.00 N ATOM 1217 CA ARG B 18 5.951 -23.723 -1.849 1.00 0.00 C ATOM 1218 C ARG B 18 6.650 -24.556 -2.913 1.00 0.00 C ATOM 1219 O ARG B 18 7.839 -24.858 -2.803 1.00 0.00 O ATOM 1220 CB ARG B 18 5.349 -24.643 -0.783 1.00 0.00 C ATOM 1221 CG ARG B 18 6.386 -25.459 -0.028 1.00 0.00 C ATOM 1222 CD ARG B 18 7.366 -24.564 0.713 1.00 0.00 C ATOM 1223 NE ARG B 18 8.386 -25.333 1.424 1.00 0.00 N ATOM 1224 CZ ARG B 18 8.122 -26.169 2.424 1.00 0.00 C ATOM 1225 NH1 ARG B 18 6.876 -26.333 2.847 1.00 0.00 N ATOM 1226 NH2 ARG B 18 9.108 -26.837 3.007 1.00 0.00 N ATOM 0 H ARG B 18 4.031 -22.880 -1.955 1.00 0.00 H new ATOM 0 HA ARG B 18 6.677 -23.066 -1.371 1.00 0.00 H new ATOM 0 HB2 ARG B 18 4.785 -24.040 -0.071 1.00 0.00 H new ATOM 0 HB3 ARG B 18 4.641 -25.321 -1.258 1.00 0.00 H new ATOM 0 HG2 ARG B 18 5.886 -26.119 0.681 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.929 -26.095 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG B 18 7.849 -23.891 0.004 1.00 0.00 H new ATOM 0 HD3 ARG B 18 6.822 -23.942 1.423 1.00 0.00 H new ATOM 0 HE ARG B 18 9.358 -25.222 1.136 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.115 -25.817 2.405 1.00 0.00 H new ATOM 0 HH12 ARG B 18 6.678 -26.975 3.614 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.069 -26.710 2.688 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.906 -27.478 3.774 1.00 0.00 H new ATOM 1240 N GLU B 19 5.899 -24.917 -3.946 1.00 0.00 N ATOM 1241 CA GLU B 19 6.440 -25.710 -5.042 1.00 0.00 C ATOM 1242 C GLU B 19 7.130 -24.827 -6.081 1.00 0.00 C ATOM 1243 O GLU B 19 7.160 -25.164 -7.265 1.00 0.00 O ATOM 1244 CB GLU B 19 5.325 -26.520 -5.706 1.00 0.00 C ATOM 1245 CG GLU B 19 4.620 -27.477 -4.760 1.00 0.00 C ATOM 1246 CD GLU B 19 3.517 -28.265 -5.442 1.00 0.00 C ATOM 1247 OE1 GLU B 19 3.823 -29.001 -6.403 1.00 0.00 O ATOM 1248 OE2 GLU B 19 2.351 -28.147 -5.012 1.00 0.00 O ATOM 0 H GLU B 19 4.914 -24.673 -4.048 1.00 0.00 H new ATOM 0 HA GLU B 19 7.184 -26.390 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU B 19 4.591 -25.833 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU B 19 5.745 -27.087 -6.536 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.349 -28.169 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.198 -26.914 -3.928 1.00 0.00 H new ATOM 1255 N SER B 20 7.688 -23.698 -5.642 1.00 0.00 N ATOM 1256 CA SER B 20 8.373 -22.790 -6.557 1.00 0.00 C ATOM 1257 C SER B 20 9.238 -21.782 -5.795 1.00 0.00 C ATOM 1258 O SER B 20 9.655 -22.037 -4.665 1.00 0.00 O ATOM 1259 CB SER B 20 7.345 -22.060 -7.428 1.00 0.00 C ATOM 1260 OG SER B 20 7.975 -21.323 -8.463 1.00 0.00 O ATOM 0 H SER B 20 7.679 -23.394 -4.668 1.00 0.00 H new ATOM 0 HA SER B 20 9.033 -23.378 -7.195 1.00 0.00 H new ATOM 0 HB2 SER B 20 6.655 -22.783 -7.862 1.00 0.00 H new ATOM 0 HB3 SER B 20 6.753 -21.387 -6.808 1.00 0.00 H new ATOM 0 HG SER B 20 7.294 -20.870 -9.003 1.00 0.00 H new ATOM 1266 N THR B 21 9.508 -20.640 -6.426 1.00 0.00 N ATOM 1267 CA THR B 21 10.327 -19.591 -5.824 1.00 0.00 C ATOM 1268 C THR B 21 9.452 -18.466 -5.275 1.00 0.00 C ATOM 1269 O THR B 21 8.264 -18.388 -5.594 1.00 0.00 O ATOM 1270 CB THR B 21 11.321 -19.012 -6.853 1.00 0.00 C ATOM 1271 OG1 THR B 21 12.063 -20.075 -7.465 1.00 0.00 O ATOM 1272 CG2 THR B 21 12.290 -18.037 -6.200 1.00 0.00 C ATOM 0 H THR B 21 9.168 -20.418 -7.362 1.00 0.00 H new ATOM 0 HA THR B 21 10.886 -20.040 -5.003 1.00 0.00 H new ATOM 0 HB THR B 21 10.746 -18.475 -7.607 1.00 0.00 H new ATOM 0 HG1 THR B 21 12.691 -19.702 -8.118 1.00 0.00 H new ATOM 0 HG21 THR B 21 12.976 -17.648 -6.952 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.732 -17.212 -5.756 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.856 -18.552 -5.424 1.00 0.00 H new ATOM 1280 N LEU B 22 10.037 -17.593 -4.455 1.00 0.00 N ATOM 1281 CA LEU B 22 9.305 -16.481 -3.879 1.00 0.00 C ATOM 1282 C LEU B 22 8.717 -15.605 -4.977 1.00 0.00 C ATOM 1283 O LEU B 22 7.867 -14.775 -4.715 1.00 0.00 O ATOM 1284 CB LEU B 22 10.196 -15.651 -2.946 1.00 0.00 C ATOM 1285 CG LEU B 22 10.650 -14.299 -3.501 1.00 0.00 C ATOM 1286 CD1 LEU B 22 11.252 -13.446 -2.397 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.636 -14.474 -4.641 1.00 0.00 C ATOM 0 H LEU B 22 11.018 -17.640 -4.178 1.00 0.00 H new ATOM 0 HA LEU B 22 8.488 -16.889 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.657 -15.479 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU B 22 11.080 -16.238 -2.699 1.00 0.00 H new ATOM 0 HG LEU B 22 9.773 -13.787 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.569 -12.488 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.506 -13.277 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.113 -13.960 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.939 -13.495 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.513 -15.014 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.165 -15.038 -5.446 1.00 0.00 H new ATOM 1299 N GLU B 23 9.183 -15.789 -6.208 1.00 0.00 N ATOM 1300 CA GLU B 23 8.696 -14.999 -7.338 1.00 0.00 C ATOM 1301 C GLU B 23 7.185 -14.796 -7.237 1.00 0.00 C ATOM 1302 O GLU B 23 6.650 -13.796 -7.719 1.00 0.00 O ATOM 1303 CB GLU B 23 9.043 -15.688 -8.658 1.00 0.00 C ATOM 1304 CG GLU B 23 8.398 -17.056 -8.820 1.00 0.00 C ATOM 1305 CD GLU B 23 8.753 -17.716 -10.139 1.00 0.00 C ATOM 1306 OE1 GLU B 23 9.502 -17.104 -10.929 1.00 0.00 O ATOM 1307 OE2 GLU B 23 8.279 -18.846 -10.382 1.00 0.00 O ATOM 0 H GLU B 23 9.896 -16.477 -6.450 1.00 0.00 H new ATOM 0 HA GLU B 23 9.183 -14.024 -7.310 1.00 0.00 H new ATOM 0 HB2 GLU B 23 8.732 -15.049 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.125 -15.795 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.712 -17.701 -7.999 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.315 -16.954 -8.749 1.00 0.00 H new ATOM 1314 N THR B 24 6.514 -15.737 -6.574 1.00 0.00 N ATOM 1315 CA THR B 24 5.074 -15.647 -6.371 1.00 0.00 C ATOM 1316 C THR B 24 4.719 -14.297 -5.759 1.00 0.00 C ATOM 1317 O THR B 24 3.761 -13.650 -6.177 1.00 0.00 O ATOM 1318 CB THR B 24 4.560 -16.779 -5.463 1.00 0.00 C ATOM 1319 OG1 THR B 24 3.163 -16.597 -5.193 1.00 0.00 O ATOM 1320 CG2 THR B 24 5.335 -16.819 -4.155 1.00 0.00 C ATOM 0 H THR B 24 6.946 -16.568 -6.170 1.00 0.00 H new ATOM 0 HA THR B 24 4.593 -15.748 -7.344 1.00 0.00 H new ATOM 0 HB THR B 24 4.708 -17.726 -5.982 1.00 0.00 H new ATOM 0 HG1 THR B 24 2.739 -17.470 -5.059 1.00 0.00 H new ATOM 0 HG21 THR B 24 4.953 -17.627 -3.531 1.00 0.00 H new ATOM 0 HG22 THR B 24 6.391 -16.989 -4.363 1.00 0.00 H new ATOM 0 HG23 THR B 24 5.216 -15.870 -3.633 1.00 0.00 H new ATOM 1328 N LEU B 25 5.514 -13.862 -4.779 1.00 0.00 N ATOM 1329 CA LEU B 25 5.292 -12.573 -4.149 1.00 0.00 C ATOM 1330 C LEU B 25 5.597 -11.455 -5.135 1.00 0.00 C ATOM 1331 O LEU B 25 4.845 -10.501 -5.254 1.00 0.00 O ATOM 1332 CB LEU B 25 6.105 -12.409 -2.852 1.00 0.00 C ATOM 1333 CG LEU B 25 7.569 -12.864 -2.872 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.411 -12.018 -3.813 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.148 -12.808 -1.470 1.00 0.00 C ATOM 0 H LEU B 25 6.310 -14.384 -4.412 1.00 0.00 H new ATOM 0 HA LEU B 25 4.241 -12.518 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.084 -11.356 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.593 -12.958 -2.062 1.00 0.00 H new ATOM 0 HG LEU B 25 7.591 -13.890 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.441 -12.373 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU B 25 8.015 -12.096 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.381 -10.977 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.188 -13.133 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU B 25 8.095 -11.786 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.577 -13.465 -0.814 1.00 0.00 H new ATOM 1347 N GLU B 26 6.681 -11.582 -5.878 1.00 0.00 N ATOM 1348 CA GLU B 26 7.003 -10.568 -6.860 1.00 0.00 C ATOM 1349 C GLU B 26 5.795 -10.383 -7.762 1.00 0.00 C ATOM 1350 O GLU B 26 5.570 -9.313 -8.322 1.00 0.00 O ATOM 1351 CB GLU B 26 8.246 -10.954 -7.664 1.00 0.00 C ATOM 1352 CG GLU B 26 8.489 -10.065 -8.875 1.00 0.00 C ATOM 1353 CD GLU B 26 9.648 -10.542 -9.729 1.00 0.00 C ATOM 1354 OE1 GLU B 26 10.231 -11.597 -9.404 1.00 0.00 O ATOM 1355 OE2 GLU B 26 9.968 -9.864 -10.728 1.00 0.00 O ATOM 0 H GLU B 26 7.339 -12.359 -5.822 1.00 0.00 H new ATOM 0 HA GLU B 26 7.235 -9.627 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.118 -10.911 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.147 -11.987 -7.996 1.00 0.00 H new ATOM 0 HG2 GLU B 26 7.585 -10.031 -9.483 1.00 0.00 H new ATOM 0 HG3 GLU B 26 8.685 -9.047 -8.539 1.00 0.00 H new ATOM 1362 N GLU B 27 5.002 -11.447 -7.863 1.00 0.00 N ATOM 1363 CA GLU B 27 3.786 -11.431 -8.660 1.00 0.00 C ATOM 1364 C GLU B 27 2.623 -10.825 -7.876 1.00 0.00 C ATOM 1365 O GLU B 27 1.946 -9.923 -8.357 1.00 0.00 O ATOM 1366 CB GLU B 27 3.431 -12.852 -9.105 1.00 0.00 C ATOM 1367 CG GLU B 27 2.090 -12.957 -9.812 1.00 0.00 C ATOM 1368 CD GLU B 27 2.052 -12.199 -11.127 1.00 0.00 C ATOM 1369 OE1 GLU B 27 3.088 -11.619 -11.511 1.00 0.00 O ATOM 1370 OE2 GLU B 27 0.983 -12.191 -11.775 1.00 0.00 O ATOM 0 H GLU B 27 5.185 -12.336 -7.397 1.00 0.00 H new ATOM 0 HA GLU B 27 3.965 -10.812 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.212 -13.220 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.423 -13.505 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.865 -14.007 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU B 27 1.308 -12.574 -9.156 1.00 0.00 H new ATOM 1377 N MET B 28 2.386 -11.343 -6.671 1.00 0.00 N ATOM 1378 CA MET B 28 1.293 -10.868 -5.823 1.00 0.00 C ATOM 1379 C MET B 28 1.721 -9.712 -4.917 1.00 0.00 C ATOM 1380 O MET B 28 1.016 -8.715 -4.800 1.00 0.00 O ATOM 1381 CB MET B 28 0.750 -12.018 -4.972 1.00 0.00 C ATOM 1382 CG MET B 28 0.249 -13.197 -5.791 1.00 0.00 C ATOM 1383 SD MET B 28 -1.075 -12.743 -6.927 1.00 0.00 S ATOM 1384 CE MET B 28 -1.409 -14.322 -7.704 1.00 0.00 C ATOM 0 H MET B 28 2.939 -12.095 -6.259 1.00 0.00 H new ATOM 0 HA MET B 28 0.511 -10.495 -6.484 1.00 0.00 H new ATOM 0 HB2 MET B 28 1.534 -12.362 -4.298 1.00 0.00 H new ATOM 0 HB3 MET B 28 -0.064 -11.646 -4.350 1.00 0.00 H new ATOM 0 HG2 MET B 28 1.079 -13.620 -6.357 1.00 0.00 H new ATOM 0 HG3 MET B 28 -0.107 -13.977 -5.118 1.00 0.00 H new ATOM 0 HE1 MET B 28 -2.209 -14.206 -8.436 1.00 0.00 H new ATOM 0 HE2 MET B 28 -0.509 -14.679 -8.204 1.00 0.00 H new ATOM 0 HE3 MET B 28 -1.713 -15.043 -6.946 1.00 0.00 H new ATOM 1394 N LEU B 29 2.873 -9.868 -4.276 1.00 0.00 N ATOM 1395 CA LEU B 29 3.418 -8.852 -3.363 1.00 0.00 C ATOM 1396 C LEU B 29 3.573 -7.507 -4.074 1.00 0.00 C ATOM 1397 O LEU B 29 3.331 -6.453 -3.490 1.00 0.00 O ATOM 1398 CB LEU B 29 4.766 -9.350 -2.813 1.00 0.00 C ATOM 1399 CG LEU B 29 5.409 -8.525 -1.698 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.431 -8.288 -0.564 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.654 -9.236 -1.179 1.00 0.00 C ATOM 0 H LEU B 29 3.460 -10.697 -4.369 1.00 0.00 H new ATOM 0 HA LEU B 29 2.727 -8.698 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU B 29 4.627 -10.366 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU B 29 5.471 -9.405 -3.643 1.00 0.00 H new ATOM 0 HG LEU B 29 5.693 -7.556 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.914 -7.699 0.216 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.561 -7.749 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.114 -9.246 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU B 29 7.107 -8.643 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU B 29 6.377 -10.215 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU B 29 7.369 -9.359 -1.993 1.00 0.00 H new ATOM 1413 N GLU B 30 3.965 -7.552 -5.340 1.00 0.00 N ATOM 1414 CA GLU B 30 4.138 -6.336 -6.137 1.00 0.00 C ATOM 1415 C GLU B 30 2.799 -5.665 -6.426 1.00 0.00 C ATOM 1416 O GLU B 30 2.719 -4.444 -6.551 1.00 0.00 O ATOM 1417 CB GLU B 30 4.837 -6.657 -7.460 1.00 0.00 C ATOM 1418 CG GLU B 30 4.947 -5.462 -8.396 1.00 0.00 C ATOM 1419 CD GLU B 30 5.639 -5.804 -9.702 1.00 0.00 C ATOM 1420 OE1 GLU B 30 6.032 -6.976 -9.878 1.00 0.00 O ATOM 1421 OE2 GLU B 30 5.788 -4.896 -10.548 1.00 0.00 O ATOM 0 H GLU B 30 4.170 -8.416 -5.841 1.00 0.00 H new ATOM 0 HA GLU B 30 4.754 -5.650 -5.555 1.00 0.00 H new ATOM 0 HB2 GLU B 30 5.837 -7.037 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.292 -7.455 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU B 30 3.949 -5.078 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.496 -4.664 -7.897 1.00 0.00 H new ATOM 1428 N LYS B 31 1.750 -6.468 -6.553 1.00 0.00 N ATOM 1429 CA LYS B 31 0.421 -5.946 -6.846 1.00 0.00 C ATOM 1430 C LYS B 31 -0.299 -5.581 -5.568 1.00 0.00 C ATOM 1431 O LYS B 31 -1.099 -4.652 -5.528 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.379 -6.968 -7.641 1.00 0.00 C ATOM 1433 CG LYS B 31 0.437 -7.605 -8.746 1.00 0.00 C ATOM 1434 CD LYS B 31 0.988 -6.569 -9.715 1.00 0.00 C ATOM 1435 CE LYS B 31 1.894 -7.209 -10.754 1.00 0.00 C ATOM 1436 NZ LYS B 31 2.418 -6.209 -11.725 1.00 0.00 N ATOM 0 H LYS B 31 1.794 -7.483 -6.458 1.00 0.00 H new ATOM 0 HA LYS B 31 0.524 -5.042 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.743 -7.744 -6.968 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -1.255 -6.484 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.262 -8.168 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.183 -8.317 -9.290 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.163 -6.060 -10.213 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.544 -5.811 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.728 -7.702 -10.254 1.00 0.00 H new ATOM 0 HE3 LYS B 31 1.343 -7.981 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 3.031 -6.685 -12.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.623 -5.757 -12.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.966 -5.486 -11.217 1.00 0.00 H new ATOM 1450 N LEU B 32 0.003 -6.328 -4.523 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.587 -6.102 -3.225 1.00 0.00 C ATOM 1452 C LEU B 32 -0.075 -4.793 -2.650 1.00 0.00 C ATOM 1453 O LEU B 32 -0.729 -4.160 -1.822 1.00 0.00 O ATOM 1454 CB LEU B 32 -0.275 -7.266 -2.302 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.924 -7.171 -0.920 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.412 -6.889 -1.048 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.685 -8.445 -0.137 1.00 0.00 C ATOM 0 H LEU B 32 0.663 -7.105 -4.554 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.670 -6.032 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.601 -8.190 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.806 -7.335 -2.178 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.466 -6.344 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.857 -6.825 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.560 -5.946 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.888 -7.694 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -1.153 -8.362 0.844 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.117 -9.289 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.387 -8.602 -0.016 1.00 0.00 H new ATOM 1469 N GLU B 33 1.100 -4.384 -3.113 1.00 0.00 N ATOM 1470 CA GLU B 33 1.689 -3.133 -2.661 1.00 0.00 C ATOM 1471 C GLU B 33 1.152 -1.975 -3.490 1.00 0.00 C ATOM 1472 O GLU B 33 0.884 -0.899 -2.961 1.00 0.00 O ATOM 1473 CB GLU B 33 3.220 -3.198 -2.709 1.00 0.00 C ATOM 1474 CG GLU B 33 3.807 -3.338 -4.105 1.00 0.00 C ATOM 1475 CD GLU B 33 4.218 -2.007 -4.710 1.00 0.00 C ATOM 1476 OE1 GLU B 33 3.365 -1.103 -4.805 1.00 0.00 O ATOM 1477 OE2 GLU B 33 5.401 -1.871 -5.089 1.00 0.00 O ATOM 0 H GLU B 33 1.659 -4.896 -3.795 1.00 0.00 H new ATOM 0 HA GLU B 33 1.407 -2.967 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.623 -2.296 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.553 -4.041 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU B 33 4.675 -3.996 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.075 -3.816 -4.755 1.00 0.00 H new ATOM 1484 N VAL B 34 0.977 -2.205 -4.795 1.00 0.00 N ATOM 1485 CA VAL B 34 0.445 -1.172 -5.676 1.00 0.00 C ATOM 1486 C VAL B 34 -1.040 -0.962 -5.402 1.00 0.00 C ATOM 1487 O VAL B 34 -1.528 0.172 -5.409 1.00 0.00 O ATOM 1488 CB VAL B 34 0.646 -1.494 -7.169 1.00 0.00 C ATOM 1489 CG1 VAL B 34 2.125 -1.652 -7.491 1.00 0.00 C ATOM 1490 CG2 VAL B 34 -0.132 -2.735 -7.572 1.00 0.00 C ATOM 0 H VAL B 34 1.194 -3.088 -5.257 1.00 0.00 H new ATOM 0 HA VAL B 34 1.004 -0.262 -5.460 1.00 0.00 H new ATOM 0 HB VAL B 34 0.258 -0.656 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL B 34 2.244 -1.879 -8.550 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.649 -0.725 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.542 -2.465 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL B 34 0.029 -2.938 -8.631 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.210 -3.586 -6.983 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.195 -2.573 -7.391 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.750 -2.059 -5.134 1.00 0.00 N ATOM 1501 CA VAL B 35 -3.171 -1.978 -4.830 1.00 0.00 C ATOM 1502 C VAL B 35 -3.359 -1.039 -3.656 1.00 0.00 C ATOM 1503 O VAL B 35 -4.163 -0.111 -3.709 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.787 -3.359 -4.496 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -3.077 -4.012 -3.324 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -5.268 -3.225 -4.190 1.00 0.00 C ATOM 0 H VAL B 35 -1.365 -3.003 -5.122 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.686 -1.607 -5.716 1.00 0.00 H new ATOM 0 HB VAL B 35 -3.660 -3.995 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -3.534 -4.980 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -2.024 -4.153 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -3.163 -3.373 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -5.682 -4.206 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -5.404 -2.562 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -5.783 -2.810 -5.057 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.580 -1.269 -2.607 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.633 -0.424 -1.437 1.00 0.00 C ATOM 1518 C VAL B 36 -1.859 0.852 -1.681 1.00 0.00 C ATOM 1519 O VAL B 36 -2.070 1.826 -1.003 1.00 0.00 O ATOM 1520 CB VAL B 36 -2.101 -1.109 -0.169 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -0.611 -1.402 -0.277 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -2.422 -0.266 1.051 1.00 0.00 C ATOM 0 H VAL B 36 -1.908 -2.034 -2.549 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.687 -0.204 -1.265 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.601 -2.071 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.268 -1.887 0.637 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.430 -2.061 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.066 -0.469 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -2.041 -0.760 1.945 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.954 0.713 0.950 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -3.502 -0.145 1.136 1.00 0.00 H new ATOM 1532 N ASN B 37 -0.964 0.839 -2.663 1.00 0.00 N ATOM 1533 CA ASN B 37 -0.184 2.030 -2.981 1.00 0.00 C ATOM 1534 C ASN B 37 -1.126 3.186 -3.280 1.00 0.00 C ATOM 1535 O ASN B 37 -0.916 4.312 -2.828 1.00 0.00 O ATOM 1536 CB ASN B 37 0.732 1.766 -4.176 1.00 0.00 C ATOM 1537 CG ASN B 37 1.426 3.016 -4.678 1.00 0.00 C ATOM 1538 OD1 ASN B 37 2.129 3.696 -3.929 1.00 0.00 O ATOM 1539 ND2 ASN B 37 1.232 3.320 -5.956 1.00 0.00 N ATOM 0 H ASN B 37 -0.762 0.027 -3.247 1.00 0.00 H new ATOM 0 HA ASN B 37 0.440 2.288 -2.125 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.483 1.028 -3.895 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.147 1.332 -4.986 1.00 0.00 H new ATOM 0 HD21 ASN B 37 1.674 4.147 -6.356 1.00 0.00 H new ATOM 0 HD22 ASN B 37 0.641 2.726 -6.537 1.00 0.00 H new ATOM 1546 N GLU B 38 -2.182 2.886 -4.028 1.00 0.00 N ATOM 1547 CA GLU B 38 -3.183 3.888 -4.368 1.00 0.00 C ATOM 1548 C GLU B 38 -4.062 4.172 -3.155 1.00 0.00 C ATOM 1549 O GLU B 38 -4.353 5.324 -2.836 1.00 0.00 O ATOM 1550 CB GLU B 38 -4.043 3.414 -5.536 1.00 0.00 C ATOM 1551 CG GLU B 38 -3.251 3.134 -6.803 1.00 0.00 C ATOM 1552 CD GLU B 38 -4.126 2.663 -7.947 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -4.790 1.617 -7.794 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -4.148 3.341 -8.996 1.00 0.00 O ATOM 0 H GLU B 38 -2.366 1.958 -4.410 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.672 4.804 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.573 2.508 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.799 4.170 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.723 4.039 -7.104 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.495 2.378 -6.594 1.00 0.00 H new ATOM 1561 N ARG B 39 -4.468 3.103 -2.475 1.00 0.00 N ATOM 1562 CA ARG B 39 -5.300 3.220 -1.283 1.00 0.00 C ATOM 1563 C ARG B 39 -4.509 3.844 -0.136 1.00 0.00 C ATOM 1564 O ARG B 39 -5.076 4.482 0.738 1.00 0.00 O ATOM 1565 CB ARG B 39 -5.853 1.850 -0.868 1.00 0.00 C ATOM 1566 CG ARG B 39 -7.011 1.360 -1.730 1.00 0.00 C ATOM 1567 CD ARG B 39 -6.610 1.186 -3.184 1.00 0.00 C ATOM 1568 NE ARG B 39 -7.766 0.968 -4.050 1.00 0.00 N ATOM 1569 CZ ARG B 39 -8.727 1.867 -4.241 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -8.662 3.048 -3.642 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -9.753 1.588 -5.033 1.00 0.00 N ATOM 0 H ARG B 39 -4.233 2.144 -2.731 1.00 0.00 H new ATOM 0 HA ARG B 39 -6.141 3.872 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -5.047 1.117 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -6.183 1.902 0.170 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -7.376 0.410 -1.339 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -7.836 2.070 -1.665 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -6.068 2.071 -3.519 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.927 0.341 -3.273 1.00 0.00 H new ATOM 0 HE ARG B 39 -7.840 0.074 -4.536 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -7.874 3.268 -3.033 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -9.400 3.736 -3.790 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.807 0.682 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -10.489 2.280 -5.177 1.00 0.00 H new ATOM 1585 N ARG B 40 -3.194 3.648 -0.165 1.00 0.00 N ATOM 1586 CA ARG B 40 -2.286 4.170 0.859 1.00 0.00 C ATOM 1587 C ARG B 40 -2.211 5.689 0.807 1.00 0.00 C ATOM 1588 O ARG B 40 -2.416 6.367 1.816 1.00 0.00 O ATOM 1589 CB ARG B 40 -0.876 3.576 0.681 1.00 0.00 C ATOM 1590 CG ARG B 40 -0.476 2.561 1.748 1.00 0.00 C ATOM 1591 CD ARG B 40 -0.585 3.159 3.142 1.00 0.00 C ATOM 1592 NE ARG B 40 0.220 4.370 3.277 1.00 0.00 N ATOM 1593 CZ ARG B 40 0.197 5.158 4.347 1.00 0.00 C ATOM 1594 NH1 ARG B 40 -0.605 4.877 5.365 1.00 0.00 N ATOM 1595 NH2 ARG B 40 0.973 6.233 4.397 1.00 0.00 N ATOM 0 H ARG B 40 -2.724 3.121 -0.901 1.00 0.00 H new ATOM 0 HA ARG B 40 -2.681 3.876 1.832 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -0.818 3.098 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -0.150 4.389 0.682 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -1.116 1.681 1.675 1.00 0.00 H new ATOM 0 HG3 ARG B 40 0.546 2.227 1.571 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -1.628 3.390 3.358 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -0.262 2.424 3.879 1.00 0.00 H new ATOM 0 HE ARG B 40 0.836 4.626 2.505 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -1.207 4.054 5.328 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -0.620 5.484 6.185 1.00 0.00 H new ATOM 0 HH21 ARG B 40 1.588 6.455 3.614 1.00 0.00 H new ATOM 0 HH22 ARG B 40 0.955 6.837 5.218 1.00 0.00 H new ATOM 1609 N GLU B 41 -1.921 6.222 -0.377 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.825 7.667 -0.549 1.00 0.00 C ATOM 1611 C GLU B 41 -3.166 8.321 -0.242 1.00 0.00 C ATOM 1612 O GLU B 41 -3.229 9.380 0.389 1.00 0.00 O ATOM 1613 CB GLU B 41 -1.375 8.013 -1.971 1.00 0.00 C ATOM 1614 CG GLU B 41 -2.289 7.466 -3.054 1.00 0.00 C ATOM 1615 CD GLU B 41 -1.812 7.813 -4.451 1.00 0.00 C ATOM 1616 OE1 GLU B 41 -0.763 8.482 -4.573 1.00 0.00 O ATOM 1617 OE2 GLU B 41 -2.485 7.415 -5.424 1.00 0.00 O ATOM 0 H GLU B 41 -1.750 5.680 -1.224 1.00 0.00 H new ATOM 0 HA GLU B 41 -1.079 8.051 0.147 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -1.318 9.097 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -0.369 7.625 -2.128 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -2.355 6.382 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -3.295 7.861 -2.909 1.00 0.00 H new ATOM 1624 N GLU B 42 -4.238 7.671 -0.680 1.00 0.00 N ATOM 1625 CA GLU B 42 -5.588 8.168 -0.447 1.00 0.00 C ATOM 1626 C GLU B 42 -6.033 7.857 0.978 1.00 0.00 C ATOM 1627 O GLU B 42 -6.945 8.487 1.508 1.00 0.00 O ATOM 1628 CB GLU B 42 -6.562 7.555 -1.455 1.00 0.00 C ATOM 1629 CG GLU B 42 -6.238 7.892 -2.902 1.00 0.00 C ATOM 1630 CD GLU B 42 -6.361 9.374 -3.206 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -6.743 10.142 -2.296 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -6.077 9.768 -4.358 1.00 0.00 O ATOM 0 H GLU B 42 -4.197 6.795 -1.201 1.00 0.00 H new ATOM 0 HA GLU B 42 -5.586 9.250 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -6.561 6.472 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -7.571 7.900 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -5.224 7.563 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.907 7.335 -3.558 1.00 0.00 H new ATOM 1639 N GLU B 43 -5.376 6.875 1.588 1.00 0.00 N ATOM 1640 CA GLU B 43 -5.684 6.463 2.955 1.00 0.00 C ATOM 1641 C GLU B 43 -5.394 7.601 3.916 1.00 0.00 C ATOM 1642 O GLU B 43 -6.232 7.968 4.741 1.00 0.00 O ATOM 1643 CB GLU B 43 -4.858 5.231 3.326 1.00 0.00 C ATOM 1644 CG GLU B 43 -5.249 4.582 4.641 1.00 0.00 C ATOM 1645 CD GLU B 43 -4.666 5.290 5.848 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -3.423 5.374 5.944 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -5.451 5.762 6.696 1.00 0.00 O ATOM 0 H GLU B 43 -4.620 6.345 1.153 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.742 6.209 3.022 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -4.952 4.493 2.529 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -3.807 5.515 3.374 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -6.336 4.569 4.724 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.917 3.544 4.640 1.00 0.00 H new ATOM 1654 N SER B 44 -4.205 8.172 3.783 1.00 0.00 N ATOM 1655 CA SER B 44 -3.800 9.292 4.619 1.00 0.00 C ATOM 1656 C SER B 44 -4.622 10.521 4.255 1.00 0.00 C ATOM 1657 O SER B 44 -4.954 11.343 5.109 1.00 0.00 O ATOM 1658 CB SER B 44 -2.309 9.580 4.440 1.00 0.00 C ATOM 1659 OG SER B 44 -1.898 10.667 5.251 1.00 0.00 O ATOM 0 H SER B 44 -3.504 7.877 3.103 1.00 0.00 H new ATOM 0 HA SER B 44 -3.976 9.038 5.664 1.00 0.00 H new ATOM 0 HB2 SER B 44 -1.731 8.692 4.696 1.00 0.00 H new ATOM 0 HB3 SER B 44 -2.102 9.804 3.394 1.00 0.00 H new ATOM 0 HG SER B 44 -0.941 10.830 5.119 1.00 0.00 H new ATOM 1665 N ALA B 45 -4.948 10.624 2.970 1.00 0.00 N ATOM 1666 CA ALA B 45 -5.735 11.735 2.455 1.00 0.00 C ATOM 1667 C ALA B 45 -7.139 11.745 3.053 1.00 0.00 C ATOM 1668 O ALA B 45 -7.624 12.780 3.508 1.00 0.00 O ATOM 1669 CB ALA B 45 -5.808 11.647 0.939 1.00 0.00 C ATOM 0 H ALA B 45 -4.675 9.943 2.262 1.00 0.00 H new ATOM 0 HA ALA B 45 -5.247 12.666 2.742 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.397 12.479 0.554 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.802 11.692 0.523 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.277 10.706 0.651 1.00 0.00 H new ATOM 1675 N ALA B 46 -7.789 10.584 3.042 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.139 10.454 3.578 1.00 0.00 C ATOM 1677 C ALA B 46 -9.162 10.706 5.079 1.00 0.00 C ATOM 1678 O ALA B 46 -10.007 11.446 5.574 1.00 0.00 O ATOM 1679 CB ALA B 46 -9.705 9.077 3.261 1.00 0.00 C ATOM 0 H ALA B 46 -7.401 9.719 2.667 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.765 11.209 3.102 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -10.713 8.996 3.668 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.737 8.937 2.181 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.071 8.311 3.708 1.00 0.00 H new