USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 666 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 32 GLN :FLIP amide:sc= -0.359! F(o=-2.9,f=-0.52!) USER MOD Set 1.2: A 34 HIS : no HD1:sc= -0.163 K(o=-0.52,f=-7.8!) USER MOD Single : A 3 SER OG : rot 33:sc= 0.22 USER MOD Single : A 6 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 10 GLN :FLIP amide:sc= -2.28! C(o=-7.4!,f=-2.3!) USER MOD Single : A 12 ASN :FLIP amide:sc= 0.513 F(o=0,f=0.51) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.456 F(o=-1.1,f=-0.46) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN :FLIP amide:sc= -1.32 F(o=-2.5!,f=-1.3) USER MOD Single : A 26 ASN : amide:sc= -0.41 X(o=-0.41,f=0.0041) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 33 HIS : no HD1:sc= 0.0241 X(o=0.024,f=-0.44) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 89:sc= -0.914 USER MOD Single : A 56 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.08) USER MOD Single : A 64 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.34) USER MOD Single : A 66 MET CE :methyl 160:sc= 0 (180deg=-0.506) USER MOD Single : A 72 THR OG1 : rot 86:sc= 0.608 USER MOD Single : A 76 ASN : amide:sc= -1.91 K(o=-1.9,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 -0.258 16.302 3.193 1.00 0.00 N ATOM 32 CA SER A 3 -1.097 15.080 3.347 1.00 0.00 C ATOM 33 C SER A 3 -0.326 13.855 2.852 1.00 0.00 C ATOM 34 O SER A 3 -0.400 13.491 1.695 1.00 0.00 O ATOM 35 CB SER A 3 -2.379 15.234 2.529 1.00 0.00 C ATOM 36 OG SER A 3 -3.005 16.465 2.867 1.00 0.00 O ATOM 0 HA SER A 3 -1.347 14.949 4.400 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.150 15.209 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.054 14.402 2.729 1.00 0.00 H new ATOM 0 HG SER A 3 -2.320 17.130 3.091 1.00 0.00 H new ATOM 42 N LEU A 4 0.403 13.206 3.721 1.00 0.00 N ATOM 43 CA LEU A 4 1.165 12.001 3.296 1.00 0.00 C ATOM 44 C LEU A 4 0.735 10.807 4.149 1.00 0.00 C ATOM 45 O LEU A 4 0.141 10.963 5.198 1.00 0.00 O ATOM 46 CB LEU A 4 2.664 12.245 3.470 1.00 0.00 C ATOM 47 CG LEU A 4 2.905 13.125 4.696 1.00 0.00 C ATOM 48 CD1 LEU A 4 2.633 12.317 5.966 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.358 13.603 4.699 1.00 0.00 C ATOM 0 H LEU A 4 0.502 13.459 4.704 1.00 0.00 H new ATOM 0 HA LEU A 4 0.960 11.794 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.186 11.295 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.069 12.726 2.580 1.00 0.00 H new ATOM 0 HG LEU A 4 2.237 13.986 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.805 12.945 6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.599 11.973 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.301 11.457 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.533 14.231 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.024 12.741 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.554 14.178 3.794 1.00 0.00 H new ATOM 61 N VAL A 5 1.007 9.615 3.696 1.00 0.00 N ATOM 62 CA VAL A 5 0.591 8.415 4.459 1.00 0.00 C ATOM 63 C VAL A 5 1.795 7.511 4.722 1.00 0.00 C ATOM 64 O VAL A 5 2.925 7.859 4.445 1.00 0.00 O ATOM 65 CB VAL A 5 -0.429 7.652 3.620 1.00 0.00 C ATOM 66 CG1 VAL A 5 -1.443 8.631 3.035 1.00 0.00 C ATOM 67 CG2 VAL A 5 0.283 6.932 2.471 1.00 0.00 C ATOM 0 H VAL A 5 1.502 9.424 2.825 1.00 0.00 H new ATOM 0 HA VAL A 5 0.163 8.717 5.415 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.937 6.924 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.172 8.085 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.955 9.151 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.927 9.357 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.449 6.388 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.792 7.663 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.013 6.232 2.877 1.00 0.00 H new ATOM 77 N TYR A 6 1.549 6.337 5.235 1.00 0.00 N ATOM 78 CA TYR A 6 2.662 5.386 5.495 1.00 0.00 C ATOM 79 C TYR A 6 2.087 3.984 5.693 1.00 0.00 C ATOM 80 O TYR A 6 1.102 3.800 6.371 1.00 0.00 O ATOM 81 CB TYR A 6 3.423 5.814 6.759 1.00 0.00 C ATOM 82 CG TYR A 6 4.191 4.636 7.325 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.205 4.034 6.571 1.00 0.00 C ATOM 84 CD2 TYR A 6 3.885 4.144 8.602 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.913 2.943 7.090 1.00 0.00 C ATOM 86 CE2 TYR A 6 4.594 3.053 9.120 1.00 0.00 C ATOM 87 CZ TYR A 6 5.608 2.453 8.364 1.00 0.00 C ATOM 88 OH TYR A 6 6.306 1.379 8.875 1.00 0.00 O ATOM 0 H TYR A 6 0.621 5.996 5.486 1.00 0.00 H new ATOM 0 HA TYR A 6 3.348 5.385 4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.110 6.627 6.522 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.724 6.194 7.503 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.442 4.412 5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.103 4.606 9.186 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.695 2.480 6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.358 2.674 10.104 1.00 0.00 H new ATOM 0 HH TYR A 6 5.970 1.167 9.771 1.00 0.00 H new ATOM 98 N ILE A 7 2.711 2.991 5.130 1.00 0.00 N ATOM 99 CA ILE A 7 2.215 1.603 5.315 1.00 0.00 C ATOM 100 C ILE A 7 3.429 0.687 5.272 1.00 0.00 C ATOM 101 O ILE A 7 4.334 0.898 4.482 1.00 0.00 O ATOM 102 CB ILE A 7 1.251 1.240 4.188 1.00 0.00 C ATOM 103 CG1 ILE A 7 2.019 1.207 2.865 1.00 0.00 C ATOM 104 CG2 ILE A 7 0.137 2.287 4.100 1.00 0.00 C ATOM 105 CD1 ILE A 7 1.031 1.123 1.703 1.00 0.00 C ATOM 0 H ILE A 7 3.544 3.081 4.549 1.00 0.00 H new ATOM 0 HA ILE A 7 1.683 1.503 6.261 1.00 0.00 H new ATOM 0 HB ILE A 7 0.810 0.263 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.635 2.101 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.693 0.351 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.548 2.023 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.408 2.319 5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.573 3.266 3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.579 1.100 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.434 0.216 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.375 1.993 1.720 1.00 0.00 H new ATOM 117 N ALA A 8 3.493 -0.313 6.107 1.00 0.00 N ATOM 118 CA ALA A 8 4.699 -1.175 6.061 1.00 0.00 C ATOM 119 C ALA A 8 4.367 -2.635 6.339 1.00 0.00 C ATOM 120 O ALA A 8 3.618 -2.951 7.236 1.00 0.00 O ATOM 121 CB ALA A 8 5.715 -0.675 7.089 1.00 0.00 C ATOM 0 H ALA A 8 2.785 -0.563 6.798 1.00 0.00 H new ATOM 0 HA ALA A 8 5.116 -1.118 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.603 -1.306 7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.992 0.353 6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.275 -0.716 8.085 1.00 0.00 H new ATOM 127 N PHE A 9 4.947 -3.539 5.591 1.00 0.00 N ATOM 128 CA PHE A 9 4.675 -4.973 5.852 1.00 0.00 C ATOM 129 C PHE A 9 6.005 -5.721 5.975 1.00 0.00 C ATOM 130 O PHE A 9 7.064 -5.151 5.818 1.00 0.00 O ATOM 131 CB PHE A 9 3.860 -5.576 4.711 1.00 0.00 C ATOM 132 CG PHE A 9 4.494 -5.240 3.391 1.00 0.00 C ATOM 133 CD1 PHE A 9 5.786 -5.689 3.097 1.00 0.00 C ATOM 134 CD2 PHE A 9 3.787 -4.480 2.459 1.00 0.00 C ATOM 135 CE1 PHE A 9 6.372 -5.376 1.874 1.00 0.00 C ATOM 136 CE2 PHE A 9 4.373 -4.164 1.233 1.00 0.00 C ATOM 137 CZ PHE A 9 5.668 -4.610 0.937 1.00 0.00 C ATOM 0 H PHE A 9 5.588 -3.344 4.822 1.00 0.00 H new ATOM 0 HA PHE A 9 4.106 -5.065 6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.799 -6.658 4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.840 -5.194 4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.329 -6.279 3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.788 -4.137 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.369 -5.724 1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.828 -3.575 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 9 6.122 -4.364 -0.011 1.00 0.00 H new ATOM 147 N GLN A 10 5.956 -6.995 6.243 1.00 0.00 N ATOM 148 CA GLN A 10 7.215 -7.784 6.361 1.00 0.00 C ATOM 149 C GLN A 10 7.114 -8.990 5.438 1.00 0.00 C ATOM 150 O GLN A 10 6.576 -10.012 5.803 1.00 0.00 O ATOM 151 CB GLN A 10 7.402 -8.264 7.802 1.00 0.00 C ATOM 152 CG GLN A 10 8.892 -8.469 8.084 1.00 0.00 C ATOM 153 CD GLN A 10 9.378 -9.742 7.387 1.00 0.00 C ATOM 154 OE1 GLN A 10 9.592 -9.725 6.099 1.00 0.00 O flip ATOM 155 NE2 GLN A 10 9.565 -10.762 8.020 1.00 0.00 N flip ATOM 0 H GLN A 10 5.097 -7.526 6.386 1.00 0.00 H new ATOM 0 HA GLN A 10 8.066 -7.162 6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.987 -7.533 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.860 -9.197 7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.461 -7.609 7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.062 -8.543 9.158 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.398 -10.776 9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.889 -11.605 7.545 1.00 0.00 H new ATOM 164 N ASP A 11 7.614 -8.876 4.241 1.00 0.00 N ATOM 165 CA ASP A 11 7.528 -10.019 3.287 1.00 0.00 C ATOM 166 C ASP A 11 8.907 -10.652 3.095 1.00 0.00 C ATOM 167 O ASP A 11 9.914 -9.973 3.057 1.00 0.00 O ATOM 168 CB ASP A 11 7.008 -9.516 1.938 1.00 0.00 C ATOM 169 CG ASP A 11 8.102 -8.708 1.237 1.00 0.00 C ATOM 170 OD1 ASP A 11 8.332 -7.582 1.645 1.00 0.00 O ATOM 171 OD2 ASP A 11 8.692 -9.229 0.305 1.00 0.00 O ATOM 0 H ASP A 11 8.078 -8.043 3.880 1.00 0.00 H new ATOM 0 HA ASP A 11 6.847 -10.768 3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.708 -10.359 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.123 -8.898 2.085 1.00 0.00 H new ATOM 176 N ASN A 12 8.955 -11.949 2.960 1.00 0.00 N ATOM 177 CA ASN A 12 10.264 -12.630 2.755 1.00 0.00 C ATOM 178 C ASN A 12 10.693 -12.464 1.297 1.00 0.00 C ATOM 179 O ASN A 12 11.777 -12.854 0.911 1.00 0.00 O ATOM 180 CB ASN A 12 10.123 -14.119 3.079 1.00 0.00 C ATOM 181 CG ASN A 12 11.431 -14.639 3.681 1.00 0.00 C ATOM 182 OD1 ASN A 12 11.388 -15.481 4.677 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 12.502 -14.275 3.239 1.00 0.00 N flip ATOM 0 H ASN A 12 8.144 -12.567 2.983 1.00 0.00 H new ATOM 0 HA ASN A 12 11.014 -12.188 3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.302 -14.273 3.779 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.880 -14.677 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.535 -13.617 2.460 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.368 -14.627 3.646 1.00 0.00 H new ATOM 190 N ASP A 13 9.853 -11.883 0.483 1.00 0.00 N ATOM 191 CA ASP A 13 10.216 -11.686 -0.943 1.00 0.00 C ATOM 192 C ASP A 13 11.108 -10.454 -1.058 1.00 0.00 C ATOM 193 O ASP A 13 10.645 -9.332 -1.001 1.00 0.00 O ATOM 194 CB ASP A 13 8.945 -11.479 -1.772 1.00 0.00 C ATOM 195 CG ASP A 13 9.253 -11.721 -3.251 1.00 0.00 C ATOM 196 OD1 ASP A 13 10.408 -11.960 -3.564 1.00 0.00 O ATOM 197 OD2 ASP A 13 8.329 -11.664 -4.046 1.00 0.00 O ATOM 0 H ASP A 13 8.931 -11.537 0.748 1.00 0.00 H new ATOM 0 HA ASP A 13 10.746 -12.563 -1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.164 -12.161 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.566 -10.467 -1.630 1.00 0.00 H new ATOM 202 N ASN A 14 12.384 -10.652 -1.227 1.00 0.00 N ATOM 203 CA ASN A 14 13.303 -9.492 -1.355 1.00 0.00 C ATOM 204 C ASN A 14 12.968 -8.735 -2.638 1.00 0.00 C ATOM 205 O ASN A 14 13.466 -7.654 -2.885 1.00 0.00 O ATOM 206 CB ASN A 14 14.750 -9.987 -1.414 1.00 0.00 C ATOM 207 CG ASN A 14 15.686 -8.804 -1.667 1.00 0.00 C ATOM 208 OD1 ASN A 14 15.970 -8.464 -2.895 1.00 0.00 O flip ATOM 209 ND2 ASN A 14 16.163 -8.182 -0.739 1.00 0.00 N flip ATOM 0 H ASN A 14 12.829 -11.568 -1.282 1.00 0.00 H new ATOM 0 HA ASN A 14 13.187 -8.832 -0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.015 -10.480 -0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.860 -10.727 -2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.941 -8.447 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.785 -7.394 -0.919 1.00 0.00 H new ATOM 216 N ALA A 15 12.120 -9.295 -3.461 1.00 0.00 N ATOM 217 CA ALA A 15 11.755 -8.603 -4.722 1.00 0.00 C ATOM 218 C ALA A 15 11.216 -7.215 -4.387 1.00 0.00 C ATOM 219 O ALA A 15 11.493 -6.247 -5.066 1.00 0.00 O ATOM 220 CB ALA A 15 10.684 -9.407 -5.461 1.00 0.00 C ATOM 0 H ALA A 15 11.669 -10.197 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 15 12.634 -8.513 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.419 -8.895 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.070 -10.400 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.799 -9.499 -4.831 1.00 0.00 H new ATOM 226 N ARG A 16 10.452 -7.112 -3.337 1.00 0.00 N ATOM 227 CA ARG A 16 9.901 -5.789 -2.946 1.00 0.00 C ATOM 228 C ARG A 16 11.055 -4.807 -2.752 1.00 0.00 C ATOM 229 O ARG A 16 11.012 -3.684 -3.212 1.00 0.00 O ATOM 230 CB ARG A 16 9.125 -5.931 -1.638 1.00 0.00 C ATOM 231 CG ARG A 16 7.745 -6.523 -1.925 1.00 0.00 C ATOM 232 CD ARG A 16 6.843 -5.444 -2.528 1.00 0.00 C ATOM 233 NE ARG A 16 6.631 -5.724 -3.977 1.00 0.00 N ATOM 234 CZ ARG A 16 5.673 -5.119 -4.629 1.00 0.00 C ATOM 235 NH1 ARG A 16 4.897 -4.269 -4.013 1.00 0.00 N ATOM 236 NH2 ARG A 16 5.491 -5.367 -5.897 1.00 0.00 N ATOM 0 H ARG A 16 10.186 -7.889 -2.732 1.00 0.00 H new ATOM 0 HA ARG A 16 9.233 -5.421 -3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.671 -6.573 -0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.022 -4.959 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.834 -7.364 -2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.304 -6.908 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.886 -5.423 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.298 -4.462 -2.399 1.00 0.00 H new ATOM 0 HE ARG A 16 7.235 -6.389 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.038 -4.076 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.150 -3.798 -4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.096 -6.032 -6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.744 -4.896 -6.407 1.00 0.00 H new ATOM 250 N TYR A 17 12.092 -5.226 -2.079 1.00 0.00 N ATOM 251 CA TYR A 17 13.252 -4.320 -1.864 1.00 0.00 C ATOM 252 C TYR A 17 13.746 -3.814 -3.219 1.00 0.00 C ATOM 253 O TYR A 17 13.998 -2.639 -3.399 1.00 0.00 O ATOM 254 CB TYR A 17 14.377 -5.082 -1.160 1.00 0.00 C ATOM 255 CG TYR A 17 14.775 -4.344 0.095 1.00 0.00 C ATOM 256 CD1 TYR A 17 15.778 -3.368 0.045 1.00 0.00 C ATOM 257 CD2 TYR A 17 14.141 -4.633 1.309 1.00 0.00 C ATOM 258 CE1 TYR A 17 16.146 -2.682 1.209 1.00 0.00 C ATOM 259 CE2 TYR A 17 14.509 -3.948 2.473 1.00 0.00 C ATOM 260 CZ TYR A 17 15.512 -2.972 2.423 1.00 0.00 C ATOM 261 OH TYR A 17 15.874 -2.295 3.570 1.00 0.00 O ATOM 0 H TYR A 17 12.185 -6.156 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 17 12.949 -3.477 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.048 -6.091 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.235 -5.181 -1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 17 16.268 -3.144 -0.891 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.367 -5.385 1.348 1.00 0.00 H new ATOM 0 HE1 TYR A 17 16.919 -1.929 1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.020 -4.172 3.409 1.00 0.00 H new ATOM 0 HH TYR A 17 15.336 -2.617 4.323 1.00 0.00 H new ATOM 271 N VAL A 18 13.876 -4.690 -4.178 1.00 0.00 N ATOM 272 CA VAL A 18 14.342 -4.252 -5.523 1.00 0.00 C ATOM 273 C VAL A 18 13.439 -3.120 -6.013 1.00 0.00 C ATOM 274 O VAL A 18 13.880 -2.008 -6.243 1.00 0.00 O ATOM 275 CB VAL A 18 14.262 -5.426 -6.501 1.00 0.00 C ATOM 276 CG1 VAL A 18 14.787 -4.990 -7.869 1.00 0.00 C ATOM 277 CG2 VAL A 18 15.113 -6.585 -5.977 1.00 0.00 C ATOM 0 H VAL A 18 13.680 -5.687 -4.088 1.00 0.00 H new ATOM 0 HA VAL A 18 15.374 -3.906 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 18 13.225 -5.748 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 18 14.729 -5.827 -8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.183 -4.164 -8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 18 15.824 -4.667 -7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 18 15.056 -7.422 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 18 16.150 -6.261 -5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 18 14.740 -6.899 -5.002 1.00 0.00 H new ATOM 287 N VAL A 19 12.171 -3.391 -6.165 1.00 0.00 N ATOM 288 CA VAL A 19 11.239 -2.329 -6.628 1.00 0.00 C ATOM 289 C VAL A 19 11.398 -1.111 -5.720 1.00 0.00 C ATOM 290 O VAL A 19 11.102 0.005 -6.100 1.00 0.00 O ATOM 291 CB VAL A 19 9.799 -2.842 -6.560 1.00 0.00 C ATOM 292 CG1 VAL A 19 8.854 -1.782 -7.128 1.00 0.00 C ATOM 293 CG2 VAL A 19 9.675 -4.126 -7.385 1.00 0.00 C ATOM 0 H VAL A 19 11.743 -4.300 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 19 11.467 -2.056 -7.658 1.00 0.00 H new ATOM 0 HB VAL A 19 9.536 -3.048 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.828 -2.146 -7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.942 -0.866 -6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.118 -1.577 -8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.649 -4.492 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.938 -3.919 -8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.349 -4.883 -6.984 1.00 0.00 H new ATOM 303 N GLU A 20 11.878 -1.317 -4.522 1.00 0.00 N ATOM 304 CA GLU A 20 12.073 -0.174 -3.590 1.00 0.00 C ATOM 305 C GLU A 20 13.170 0.732 -4.147 1.00 0.00 C ATOM 306 O GLU A 20 12.972 1.916 -4.348 1.00 0.00 O ATOM 307 CB GLU A 20 12.490 -0.698 -2.214 1.00 0.00 C ATOM 308 CG GLU A 20 11.700 0.034 -1.128 1.00 0.00 C ATOM 309 CD GLU A 20 11.075 -0.986 -0.175 1.00 0.00 C ATOM 310 OE1 GLU A 20 11.805 -1.829 0.321 1.00 0.00 O ATOM 311 OE2 GLU A 20 9.877 -0.908 0.042 1.00 0.00 O ATOM 0 H GLU A 20 12.143 -2.229 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 20 11.143 0.386 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.307 -1.771 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.559 -0.548 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.357 0.707 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.922 0.648 -1.581 1.00 0.00 H new ATOM 318 N ALA A 21 14.325 0.183 -4.414 1.00 0.00 N ATOM 319 CA ALA A 21 15.422 1.014 -4.977 1.00 0.00 C ATOM 320 C ALA A 21 14.859 1.819 -6.145 1.00 0.00 C ATOM 321 O ALA A 21 15.202 2.967 -6.347 1.00 0.00 O ATOM 322 CB ALA A 21 16.553 0.110 -5.471 1.00 0.00 C ATOM 0 H ALA A 21 14.553 -0.800 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 21 15.817 1.684 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 21 17.355 0.723 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.938 -0.479 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.173 -0.558 -6.244 1.00 0.00 H new ATOM 328 N ILE A 22 13.980 1.226 -6.907 1.00 0.00 N ATOM 329 CA ILE A 22 13.376 1.957 -8.054 1.00 0.00 C ATOM 330 C ILE A 22 12.620 3.176 -7.521 1.00 0.00 C ATOM 331 O ILE A 22 12.733 4.267 -8.042 1.00 0.00 O ATOM 332 CB ILE A 22 12.404 1.035 -8.791 1.00 0.00 C ATOM 333 CG1 ILE A 22 13.142 -0.230 -9.236 1.00 0.00 C ATOM 334 CG2 ILE A 22 11.843 1.756 -10.018 1.00 0.00 C ATOM 335 CD1 ILE A 22 12.203 -1.100 -10.074 1.00 0.00 C ATOM 0 H ILE A 22 13.655 0.267 -6.784 1.00 0.00 H new ATOM 0 HA ILE A 22 14.158 2.278 -8.742 1.00 0.00 H new ATOM 0 HB ILE A 22 11.585 0.765 -8.125 1.00 0.00 H new ATOM 0 HG12 ILE A 22 14.024 0.037 -9.818 1.00 0.00 H new ATOM 0 HG13 ILE A 22 13.490 -0.786 -8.366 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.150 1.097 -10.542 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.318 2.657 -9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.661 2.028 -10.686 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.728 -2.001 -10.391 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.334 -1.377 -9.477 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.877 -0.542 -10.952 1.00 0.00 H new ATOM 347 N ILE A 23 11.855 2.997 -6.477 1.00 0.00 N ATOM 348 CA ILE A 23 11.098 4.145 -5.903 1.00 0.00 C ATOM 349 C ILE A 23 12.055 5.313 -5.686 1.00 0.00 C ATOM 350 O ILE A 23 11.858 6.392 -6.207 1.00 0.00 O ATOM 351 CB ILE A 23 10.482 3.733 -4.565 1.00 0.00 C ATOM 352 CG1 ILE A 23 9.472 2.605 -4.794 1.00 0.00 C ATOM 353 CG2 ILE A 23 9.772 4.933 -3.935 1.00 0.00 C ATOM 354 CD1 ILE A 23 8.222 3.169 -5.474 1.00 0.00 C ATOM 0 H ILE A 23 11.722 2.106 -5.998 1.00 0.00 H new ATOM 0 HA ILE A 23 10.304 4.442 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 23 11.270 3.387 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.916 1.826 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.205 2.143 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.334 4.637 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.491 5.736 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.985 5.282 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.503 2.366 -5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.775 3.933 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.497 3.610 -6.432 1.00 0.00 H new ATOM 366 N GLN A 24 13.098 5.108 -4.931 1.00 0.00 N ATOM 367 CA GLN A 24 14.067 6.213 -4.703 1.00 0.00 C ATOM 368 C GLN A 24 14.630 6.650 -6.054 1.00 0.00 C ATOM 369 O GLN A 24 14.997 7.792 -6.247 1.00 0.00 O ATOM 370 CB GLN A 24 15.204 5.727 -3.803 1.00 0.00 C ATOM 371 CG GLN A 24 15.601 6.843 -2.835 1.00 0.00 C ATOM 372 CD GLN A 24 16.526 7.830 -3.548 1.00 0.00 C ATOM 373 OE1 GLN A 24 16.009 8.788 -4.268 1.00 0.00 O flip ATOM 374 NE2 GLN A 24 17.733 7.728 -3.450 1.00 0.00 N flip ATOM 0 H GLN A 24 13.320 4.228 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 24 13.569 7.052 -4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.890 4.844 -3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 24 16.062 5.434 -4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.712 7.358 -2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.103 6.422 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 24 18.138 6.980 -2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 24 18.341 8.391 -3.930 1.00 0.00 H new ATOM 383 N ASP A 25 14.685 5.749 -6.999 1.00 0.00 N ATOM 384 CA ASP A 25 15.206 6.117 -8.342 1.00 0.00 C ATOM 385 C ASP A 25 14.483 7.378 -8.808 1.00 0.00 C ATOM 386 O ASP A 25 15.072 8.268 -9.390 1.00 0.00 O ATOM 387 CB ASP A 25 14.939 4.976 -9.327 1.00 0.00 C ATOM 388 CG ASP A 25 16.063 4.918 -10.363 1.00 0.00 C ATOM 389 OD1 ASP A 25 17.128 4.427 -10.026 1.00 0.00 O ATOM 390 OD2 ASP A 25 15.840 5.366 -11.476 1.00 0.00 O ATOM 0 H ASP A 25 14.392 4.777 -6.897 1.00 0.00 H new ATOM 0 HA ASP A 25 16.280 6.296 -8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.874 4.028 -8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.981 5.128 -9.824 1.00 0.00 H new ATOM 395 N ASN A 26 13.207 7.464 -8.542 1.00 0.00 N ATOM 396 CA ASN A 26 12.441 8.670 -8.952 1.00 0.00 C ATOM 397 C ASN A 26 12.702 9.791 -7.943 1.00 0.00 C ATOM 398 O ASN A 26 12.797 9.544 -6.757 1.00 0.00 O ATOM 399 CB ASN A 26 10.949 8.337 -8.974 1.00 0.00 C ATOM 400 CG ASN A 26 10.728 7.038 -9.753 1.00 0.00 C ATOM 401 OD1 ASN A 26 10.553 7.060 -10.955 1.00 0.00 O ATOM 402 ND2 ASN A 26 10.730 5.900 -9.114 1.00 0.00 N ATOM 0 H ASN A 26 12.664 6.749 -8.058 1.00 0.00 H new ATOM 0 HA ASN A 26 12.754 8.990 -9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.574 8.231 -7.956 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.391 9.151 -9.437 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.585 5.029 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.877 5.882 -8.105 1.00 0.00 H new ATOM 409 N PRO A 27 12.808 10.991 -8.445 1.00 0.00 N ATOM 410 CA PRO A 27 13.058 12.124 -7.526 1.00 0.00 C ATOM 411 C PRO A 27 11.734 12.624 -6.943 1.00 0.00 C ATOM 412 O PRO A 27 11.476 13.810 -6.888 1.00 0.00 O ATOM 413 CB PRO A 27 13.712 13.216 -8.380 1.00 0.00 C ATOM 414 CG PRO A 27 13.810 12.683 -9.825 1.00 0.00 C ATOM 415 CD PRO A 27 13.232 11.261 -9.836 1.00 0.00 C ATOM 0 HA PRO A 27 13.695 11.837 -6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 27 13.121 14.131 -8.349 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.702 13.462 -7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 27 13.256 13.327 -10.509 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.847 12.677 -10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 27 12.390 11.186 -10.524 1.00 0.00 H new ATOM 0 HD3 PRO A 27 13.978 10.538 -10.165 1.00 0.00 H new ATOM 423 N HIS A 28 10.886 11.727 -6.520 1.00 0.00 N ATOM 424 CA HIS A 28 9.578 12.146 -5.957 1.00 0.00 C ATOM 425 C HIS A 28 9.114 11.119 -4.925 1.00 0.00 C ATOM 426 O HIS A 28 8.711 11.460 -3.830 1.00 0.00 O ATOM 427 CB HIS A 28 8.561 12.214 -7.091 1.00 0.00 C ATOM 428 CG HIS A 28 7.420 13.111 -6.699 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.356 12.660 -5.933 1.00 0.00 N ATOM 430 CD2 HIS A 28 7.161 14.433 -6.960 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.514 13.695 -5.761 1.00 0.00 C ATOM 432 NE2 HIS A 28 5.956 14.800 -6.367 1.00 0.00 N ATOM 0 H HIS A 28 11.046 10.720 -6.541 1.00 0.00 H new ATOM 0 HA HIS A 28 9.674 13.120 -5.478 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.037 12.590 -7.996 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.189 11.215 -7.318 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.795 15.089 -7.538 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.592 13.639 -5.201 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.507 15.716 -6.390 1.00 0.00 H new ATOM 440 N ALA A 29 9.162 9.862 -5.270 1.00 0.00 N ATOM 441 CA ALA A 29 8.717 8.810 -4.315 1.00 0.00 C ATOM 442 C ALA A 29 9.730 8.688 -3.175 1.00 0.00 C ATOM 443 O ALA A 29 10.925 8.735 -3.386 1.00 0.00 O ATOM 444 CB ALA A 29 8.616 7.474 -5.054 1.00 0.00 C ATOM 0 H ALA A 29 9.490 9.518 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 29 7.744 9.078 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.291 6.698 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.894 7.561 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.591 7.209 -5.462 1.00 0.00 H new ATOM 450 N VAL A 30 9.262 8.526 -1.966 1.00 0.00 N ATOM 451 CA VAL A 30 10.204 8.396 -0.819 1.00 0.00 C ATOM 452 C VAL A 30 10.319 6.925 -0.417 1.00 0.00 C ATOM 453 O VAL A 30 9.404 6.148 -0.601 1.00 0.00 O ATOM 454 CB VAL A 30 9.687 9.208 0.368 1.00 0.00 C ATOM 455 CG1 VAL A 30 10.797 9.344 1.411 1.00 0.00 C ATOM 456 CG2 VAL A 30 9.267 10.599 -0.111 1.00 0.00 C ATOM 0 H VAL A 30 8.272 8.478 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 30 11.184 8.772 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 30 8.830 8.701 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.431 9.923 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.100 8.354 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.653 9.852 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.898 11.179 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.125 11.106 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.478 10.504 -0.857 1.00 0.00 H new ATOM 466 N VAL A 31 11.436 6.536 0.135 1.00 0.00 N ATOM 467 CA VAL A 31 11.606 5.117 0.551 1.00 0.00 C ATOM 468 C VAL A 31 12.089 5.068 2.002 1.00 0.00 C ATOM 469 O VAL A 31 12.464 6.071 2.577 1.00 0.00 O ATOM 470 CB VAL A 31 12.635 4.436 -0.353 1.00 0.00 C ATOM 471 CG1 VAL A 31 11.926 3.815 -1.558 1.00 0.00 C ATOM 472 CG2 VAL A 31 13.657 5.467 -0.841 1.00 0.00 C ATOM 0 H VAL A 31 12.238 7.140 0.315 1.00 0.00 H new ATOM 0 HA VAL A 31 10.652 4.597 0.466 1.00 0.00 H new ATOM 0 HB VAL A 31 13.148 3.657 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.660 3.330 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.202 3.077 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.411 4.595 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.388 4.978 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.145 6.249 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.166 5.909 0.016 1.00 0.00 H new ATOM 482 N GLN A 32 12.084 3.908 2.601 1.00 0.00 N ATOM 483 CA GLN A 32 12.542 3.795 4.014 1.00 0.00 C ATOM 484 C GLN A 32 13.195 2.428 4.229 1.00 0.00 C ATOM 485 O GLN A 32 12.541 1.405 4.199 1.00 0.00 O ATOM 486 CB GLN A 32 11.340 3.939 4.950 1.00 0.00 C ATOM 487 CG GLN A 32 11.744 4.750 6.183 1.00 0.00 C ATOM 488 CD GLN A 32 10.739 4.500 7.309 1.00 0.00 C ATOM 489 OE1 GLN A 32 11.076 4.775 8.539 1.00 0.00 O flip ATOM 490 NE2 GLN A 32 9.637 4.050 7.067 1.00 0.00 N flip ATOM 0 H GLN A 32 11.782 3.033 2.172 1.00 0.00 H new ATOM 0 HA GLN A 32 13.266 4.581 4.227 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.519 4.433 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.981 2.955 5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.746 4.467 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.776 5.812 5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.374 3.835 6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.975 3.887 7.826 1.00 0.00 H new ATOM 499 N HIS A 33 14.483 2.402 4.442 1.00 0.00 N ATOM 500 CA HIS A 33 15.178 1.103 4.654 1.00 0.00 C ATOM 501 C HIS A 33 15.017 0.664 6.112 1.00 0.00 C ATOM 502 O HIS A 33 15.304 1.408 7.029 1.00 0.00 O ATOM 503 CB HIS A 33 16.664 1.268 4.333 1.00 0.00 C ATOM 504 CG HIS A 33 16.818 2.034 3.048 1.00 0.00 C ATOM 505 ND1 HIS A 33 17.071 3.397 3.026 1.00 0.00 N ATOM 506 CD2 HIS A 33 16.758 1.643 1.733 1.00 0.00 C ATOM 507 CE1 HIS A 33 17.152 3.773 1.736 1.00 0.00 C ATOM 508 NE2 HIS A 33 16.969 2.742 0.907 1.00 0.00 N ATOM 0 H HIS A 33 15.083 3.226 4.478 1.00 0.00 H new ATOM 0 HA HIS A 33 14.743 0.347 4.000 1.00 0.00 H new ATOM 0 HB2 HIS A 33 17.166 1.794 5.145 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.139 0.291 4.245 1.00 0.00 H new ATOM 0 HD2 HIS A 33 16.575 0.635 1.392 1.00 0.00 H new ATOM 0 HE1 HIS A 33 17.342 4.785 1.411 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.981 2.757 -0.113 1.00 0.00 H new ATOM 516 N HIS A 34 14.564 -0.540 6.334 1.00 0.00 N ATOM 517 CA HIS A 34 14.389 -1.026 7.731 1.00 0.00 C ATOM 518 C HIS A 34 15.183 -2.322 7.919 1.00 0.00 C ATOM 519 O HIS A 34 15.334 -3.095 6.993 1.00 0.00 O ATOM 520 CB HIS A 34 12.907 -1.294 7.996 1.00 0.00 C ATOM 521 CG HIS A 34 12.265 -0.056 8.561 1.00 0.00 C ATOM 522 ND1 HIS A 34 11.217 -0.115 9.467 1.00 0.00 N ATOM 523 CD2 HIS A 34 12.510 1.279 8.358 1.00 0.00 C ATOM 524 CE1 HIS A 34 10.874 1.150 9.772 1.00 0.00 C ATOM 525 NE2 HIS A 34 11.631 2.039 9.123 1.00 0.00 N ATOM 0 H HIS A 34 14.308 -1.208 5.607 1.00 0.00 H new ATOM 0 HA HIS A 34 14.751 -0.271 8.428 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.408 -1.585 7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 34 12.796 -2.124 8.693 1.00 0.00 H new ATOM 0 HD2 HIS A 34 13.270 1.679 7.703 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.083 1.414 10.458 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.576 3.056 9.177 1.00 0.00 H new ATOM 533 N PRO A 35 15.664 -2.518 9.117 1.00 0.00 N ATOM 534 CA PRO A 35 16.443 -3.748 9.381 1.00 0.00 C ATOM 535 C PRO A 35 15.506 -4.892 9.782 1.00 0.00 C ATOM 536 O PRO A 35 15.777 -5.631 10.708 1.00 0.00 O ATOM 537 CB PRO A 35 17.387 -3.401 10.538 1.00 0.00 C ATOM 538 CG PRO A 35 17.105 -1.940 10.948 1.00 0.00 C ATOM 539 CD PRO A 35 16.021 -1.395 10.010 1.00 0.00 C ATOM 0 HA PRO A 35 16.993 -4.075 8.499 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.224 -4.073 11.380 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.427 -3.519 10.233 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.774 -1.891 11.985 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.012 -1.340 10.874 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.153 -1.051 10.573 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.389 -0.543 9.439 1.00 0.00 H new ATOM 547 N ALA A 36 14.407 -5.045 9.094 1.00 0.00 N ATOM 548 CA ALA A 36 13.461 -6.143 9.441 1.00 0.00 C ATOM 549 C ALA A 36 12.123 -5.912 8.735 1.00 0.00 C ATOM 550 O ALA A 36 11.413 -6.844 8.412 1.00 0.00 O ATOM 551 CB ALA A 36 13.241 -6.166 10.955 1.00 0.00 C ATOM 0 H ALA A 36 14.124 -4.459 8.309 1.00 0.00 H new ATOM 0 HA ALA A 36 13.880 -7.096 9.118 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.549 -6.969 11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.193 -6.334 11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.824 -5.212 11.277 1.00 0.00 H new ATOM 557 N MET A 37 11.771 -4.679 8.493 1.00 0.00 N ATOM 558 CA MET A 37 10.478 -4.395 7.808 1.00 0.00 C ATOM 559 C MET A 37 10.744 -3.996 6.357 1.00 0.00 C ATOM 560 O MET A 37 11.872 -3.802 5.950 1.00 0.00 O ATOM 561 CB MET A 37 9.757 -3.252 8.526 1.00 0.00 C ATOM 562 CG MET A 37 8.927 -3.814 9.681 1.00 0.00 C ATOM 563 SD MET A 37 9.764 -3.471 11.248 1.00 0.00 S ATOM 564 CE MET A 37 9.316 -5.013 12.082 1.00 0.00 C ATOM 0 H MET A 37 12.322 -3.857 8.740 1.00 0.00 H new ATOM 0 HA MET A 37 9.854 -5.289 7.831 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.482 -2.531 8.903 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.112 -2.719 7.827 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.934 -3.365 9.681 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.791 -4.888 9.556 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.736 -5.018 13.088 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.231 -5.092 12.142 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.711 -5.859 11.519 1.00 0.00 H new ATOM 574 N ILE A 38 9.709 -3.878 5.574 1.00 0.00 N ATOM 575 CA ILE A 38 9.886 -3.499 4.146 1.00 0.00 C ATOM 576 C ILE A 38 8.595 -2.863 3.631 1.00 0.00 C ATOM 577 O ILE A 38 7.538 -3.457 3.698 1.00 0.00 O ATOM 578 CB ILE A 38 10.182 -4.746 3.305 1.00 0.00 C ATOM 579 CG1 ILE A 38 9.584 -5.992 3.984 1.00 0.00 C ATOM 580 CG2 ILE A 38 11.693 -4.910 3.129 1.00 0.00 C ATOM 581 CD1 ILE A 38 10.511 -6.507 5.095 1.00 0.00 C ATOM 0 H ILE A 38 8.743 -4.029 5.864 1.00 0.00 H new ATOM 0 HA ILE A 38 10.716 -2.797 4.066 1.00 0.00 H new ATOM 0 HB ILE A 38 9.726 -4.630 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.607 -5.750 4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.428 -6.776 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.895 -5.798 2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.098 -4.033 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.164 -5.016 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.067 -7.387 5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.479 -6.771 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.646 -5.729 5.846 1.00 0.00 H new ATOM 593 N ARG A 39 8.664 -1.672 3.103 1.00 0.00 N ATOM 594 CA ARG A 39 7.427 -1.039 2.578 1.00 0.00 C ATOM 595 C ARG A 39 7.680 0.425 2.195 1.00 0.00 C ATOM 596 O ARG A 39 8.778 0.783 1.821 1.00 0.00 O ATOM 597 CB ARG A 39 6.347 -1.126 3.606 1.00 0.00 C ATOM 598 CG ARG A 39 5.168 -1.918 3.012 1.00 0.00 C ATOM 599 CD ARG A 39 4.810 -1.379 1.622 1.00 0.00 C ATOM 600 NE ARG A 39 3.363 -1.614 1.355 1.00 0.00 N ATOM 601 CZ ARG A 39 2.771 -1.000 0.366 1.00 0.00 C ATOM 602 NH1 ARG A 39 3.441 -0.170 -0.389 1.00 0.00 N ATOM 603 NH2 ARG A 39 1.506 -1.216 0.130 1.00 0.00 N ATOM 0 H ARG A 39 9.515 -1.117 3.014 1.00 0.00 H new ATOM 0 HA ARG A 39 7.116 -1.572 1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.719 -1.618 4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.023 -0.128 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.428 -2.974 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.303 -1.845 3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.033 -0.314 1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.416 -1.872 0.862 1.00 0.00 H new ATOM 0 HE ARG A 39 2.834 -2.256 1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.430 0.000 -0.207 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.975 0.308 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.981 -1.864 0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.042 -0.737 -0.642 1.00 0.00 H new ATOM 617 N ILE A 40 6.676 1.283 2.252 1.00 0.00 N ATOM 618 CA ILE A 40 6.899 2.700 1.850 1.00 0.00 C ATOM 619 C ILE A 40 5.797 3.596 2.426 1.00 0.00 C ATOM 620 O ILE A 40 4.985 3.169 3.214 1.00 0.00 O ATOM 621 CB ILE A 40 6.814 2.798 0.329 1.00 0.00 C ATOM 622 CG1 ILE A 40 7.332 1.515 -0.328 1.00 0.00 C ATOM 623 CG2 ILE A 40 7.643 3.982 -0.162 1.00 0.00 C ATOM 624 CD1 ILE A 40 7.114 1.593 -1.840 1.00 0.00 C ATOM 0 H ILE A 40 5.729 1.058 2.556 1.00 0.00 H new ATOM 0 HA ILE A 40 7.874 3.019 2.220 1.00 0.00 H new ATOM 0 HB ILE A 40 5.769 2.939 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.392 1.384 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.812 0.649 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.578 4.046 -1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.260 4.902 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.684 3.844 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.482 0.680 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.050 1.704 -2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.654 2.450 -2.242 1.00 0.00 H new ATOM 636 N GLU A 41 5.758 4.835 1.999 1.00 0.00 N ATOM 637 CA GLU A 41 4.711 5.784 2.465 1.00 0.00 C ATOM 638 C GLU A 41 4.174 6.534 1.244 1.00 0.00 C ATOM 639 O GLU A 41 4.515 6.223 0.120 1.00 0.00 O ATOM 640 CB GLU A 41 5.323 6.780 3.454 1.00 0.00 C ATOM 641 CG GLU A 41 6.791 7.026 3.098 1.00 0.00 C ATOM 642 CD GLU A 41 7.216 8.404 3.608 1.00 0.00 C ATOM 643 OE1 GLU A 41 6.758 8.788 4.672 1.00 0.00 O ATOM 644 OE2 GLU A 41 7.995 9.053 2.928 1.00 0.00 O ATOM 0 H GLU A 41 6.423 5.231 1.334 1.00 0.00 H new ATOM 0 HA GLU A 41 3.905 5.245 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.770 7.719 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.245 6.393 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.418 6.253 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.929 6.968 2.018 1.00 0.00 H new ATOM 651 N ALA A 42 3.338 7.511 1.444 1.00 0.00 N ATOM 652 CA ALA A 42 2.791 8.259 0.276 1.00 0.00 C ATOM 653 C ALA A 42 2.750 9.756 0.586 1.00 0.00 C ATOM 654 O ALA A 42 3.269 10.210 1.586 1.00 0.00 O ATOM 655 CB ALA A 42 1.375 7.764 -0.026 1.00 0.00 C ATOM 0 H ALA A 42 3.010 7.824 2.358 1.00 0.00 H new ATOM 0 HA ALA A 42 3.433 8.091 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.973 8.310 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.403 6.699 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.738 7.930 0.843 1.00 0.00 H new ATOM 661 N GLU A 43 2.135 10.526 -0.271 1.00 0.00 N ATOM 662 CA GLU A 43 2.059 11.994 -0.037 1.00 0.00 C ATOM 663 C GLU A 43 0.682 12.515 -0.461 1.00 0.00 C ATOM 664 O GLU A 43 0.551 13.630 -0.926 1.00 0.00 O ATOM 665 CB GLU A 43 3.139 12.695 -0.863 1.00 0.00 C ATOM 666 CG GLU A 43 4.474 12.632 -0.119 1.00 0.00 C ATOM 667 CD GLU A 43 5.615 12.937 -1.092 1.00 0.00 C ATOM 668 OE1 GLU A 43 5.756 12.205 -2.057 1.00 0.00 O ATOM 669 OE2 GLU A 43 6.327 13.899 -0.856 1.00 0.00 O ATOM 0 H GLU A 43 1.682 10.199 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 43 2.213 12.198 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.232 12.218 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.859 13.733 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.480 13.350 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.611 11.644 0.321 1.00 0.00 H new ATOM 676 N LYS A 44 -0.350 11.725 -0.309 1.00 0.00 N ATOM 677 CA LYS A 44 -1.706 12.200 -0.712 1.00 0.00 C ATOM 678 C LYS A 44 -2.782 11.246 -0.186 1.00 0.00 C ATOM 679 O LYS A 44 -2.668 10.705 0.896 1.00 0.00 O ATOM 680 CB LYS A 44 -1.781 12.288 -2.238 1.00 0.00 C ATOM 681 CG LYS A 44 -2.674 13.464 -2.640 1.00 0.00 C ATOM 682 CD LYS A 44 -1.940 14.338 -3.660 1.00 0.00 C ATOM 683 CE LYS A 44 -2.952 15.196 -4.421 1.00 0.00 C ATOM 684 NZ LYS A 44 -3.306 16.392 -3.605 1.00 0.00 N ATOM 0 H LYS A 44 -0.313 10.780 0.073 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.881 13.187 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.782 12.418 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.179 11.359 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.608 13.096 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.935 14.053 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.215 14.975 -3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.382 13.712 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.534 15.507 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.847 14.614 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.994 16.975 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.722 16.086 -2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.449 16.951 -3.419 1.00 0.00 H new ATOM 698 N ARG A 45 -3.836 11.047 -0.933 1.00 0.00 N ATOM 699 CA ARG A 45 -4.919 10.144 -0.463 1.00 0.00 C ATOM 700 C ARG A 45 -5.539 9.391 -1.647 1.00 0.00 C ATOM 701 O ARG A 45 -4.909 9.185 -2.662 1.00 0.00 O ATOM 702 CB ARG A 45 -6.000 10.964 0.236 1.00 0.00 C ATOM 703 CG ARG A 45 -6.514 10.183 1.445 1.00 0.00 C ATOM 704 CD ARG A 45 -7.455 11.068 2.264 1.00 0.00 C ATOM 705 NE ARG A 45 -6.822 11.389 3.581 1.00 0.00 N ATOM 706 CZ ARG A 45 -6.304 10.449 4.330 1.00 0.00 C ATOM 707 NH1 ARG A 45 -6.494 9.188 4.046 1.00 0.00 N ATOM 708 NH2 ARG A 45 -5.639 10.773 5.405 1.00 0.00 N ATOM 0 H ARG A 45 -3.991 11.472 -1.847 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.495 9.421 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.597 11.926 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.818 11.173 -0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.037 9.285 1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.677 9.856 2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.672 11.987 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.406 10.558 2.421 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.794 12.357 3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.051 8.927 3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.085 8.465 4.638 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.525 11.755 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.233 10.045 5.993 1.00 0.00 H new ATOM 722 N LEU A 46 -6.774 8.981 -1.525 1.00 0.00 N ATOM 723 CA LEU A 46 -7.430 8.235 -2.639 1.00 0.00 C ATOM 724 C LEU A 46 -8.946 8.392 -2.553 1.00 0.00 C ATOM 725 O LEU A 46 -9.501 8.471 -1.478 1.00 0.00 O ATOM 726 CB LEU A 46 -7.132 6.754 -2.509 1.00 0.00 C ATOM 727 CG LEU A 46 -6.417 6.253 -3.762 1.00 0.00 C ATOM 728 CD1 LEU A 46 -6.364 4.727 -3.757 1.00 0.00 C ATOM 729 CD2 LEU A 46 -7.182 6.715 -4.990 1.00 0.00 C ATOM 0 H LEU A 46 -7.357 9.131 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.051 8.632 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.512 6.575 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.059 6.200 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.402 6.651 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.853 4.378 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.824 4.385 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.378 4.328 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.677 6.360 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.195 6.313 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.225 7.804 -5.004 1.00 0.00 H new ATOM 741 N GLU A 47 -9.626 8.390 -3.666 1.00 0.00 N ATOM 742 CA GLU A 47 -11.111 8.502 -3.626 1.00 0.00 C ATOM 743 C GLU A 47 -11.714 7.523 -4.638 1.00 0.00 C ATOM 744 O GLU A 47 -11.205 7.356 -5.729 1.00 0.00 O ATOM 745 CB GLU A 47 -11.527 9.930 -3.984 1.00 0.00 C ATOM 746 CG GLU A 47 -13.054 10.018 -4.033 1.00 0.00 C ATOM 747 CD GLU A 47 -13.515 10.083 -5.489 1.00 0.00 C ATOM 748 OE1 GLU A 47 -12.877 10.781 -6.261 1.00 0.00 O ATOM 749 OE2 GLU A 47 -14.497 9.434 -5.810 1.00 0.00 O ATOM 0 H GLU A 47 -9.219 8.316 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.471 8.264 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.135 10.630 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.104 10.213 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.495 9.152 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.395 10.901 -3.493 1.00 0.00 H new ATOM 756 N ILE A 48 -12.789 6.866 -4.286 1.00 0.00 N ATOM 757 CA ILE A 48 -13.406 5.892 -5.238 1.00 0.00 C ATOM 758 C ILE A 48 -14.869 5.642 -4.856 1.00 0.00 C ATOM 759 O ILE A 48 -15.264 5.799 -3.716 1.00 0.00 O ATOM 760 CB ILE A 48 -12.642 4.560 -5.202 1.00 0.00 C ATOM 761 CG1 ILE A 48 -11.308 4.734 -4.466 1.00 0.00 C ATOM 762 CG2 ILE A 48 -12.369 4.094 -6.633 1.00 0.00 C ATOM 763 CD1 ILE A 48 -10.606 3.380 -4.351 1.00 0.00 C ATOM 0 H ILE A 48 -13.264 6.960 -3.388 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.357 6.311 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 48 -13.246 3.819 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -10.674 5.439 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.480 5.151 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -11.827 3.149 -6.611 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -13.315 3.958 -7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -11.771 4.843 -7.152 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -9.658 3.505 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.239 2.688 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.420 2.981 -5.348 1.00 0.00 H new ATOM 775 N ARG A 49 -15.676 5.252 -5.809 1.00 0.00 N ATOM 776 CA ARG A 49 -17.115 4.994 -5.515 1.00 0.00 C ATOM 777 C ARG A 49 -17.290 3.587 -4.941 1.00 0.00 C ATOM 778 O ARG A 49 -16.341 2.944 -4.539 1.00 0.00 O ATOM 779 CB ARG A 49 -17.932 5.122 -6.804 1.00 0.00 C ATOM 780 CG ARG A 49 -17.608 6.453 -7.485 1.00 0.00 C ATOM 781 CD ARG A 49 -18.906 7.196 -7.804 1.00 0.00 C ATOM 782 NE ARG A 49 -18.951 7.525 -9.263 1.00 0.00 N ATOM 783 CZ ARG A 49 -17.934 8.091 -9.863 1.00 0.00 C ATOM 784 NH1 ARG A 49 -16.929 8.562 -9.173 1.00 0.00 N ATOM 785 NH2 ARG A 49 -17.952 8.241 -11.160 1.00 0.00 N ATOM 0 H ARG A 49 -15.399 5.101 -6.779 1.00 0.00 H new ATOM 0 HA ARG A 49 -17.464 5.724 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -17.704 4.294 -7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.997 5.067 -6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.979 7.062 -6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.044 6.277 -8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.765 6.582 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.969 8.110 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 49 -19.790 7.304 -9.800 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.931 8.491 -8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.143 9.001 -9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.755 7.918 -11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.163 8.681 -11.633 1.00 0.00 H new ATOM 799 N ARG A 50 -18.505 3.110 -4.894 1.00 0.00 N ATOM 800 CA ARG A 50 -18.756 1.750 -4.339 1.00 0.00 C ATOM 801 C ARG A 50 -18.277 0.687 -5.328 1.00 0.00 C ATOM 802 O ARG A 50 -17.925 -0.411 -4.946 1.00 0.00 O ATOM 803 CB ARG A 50 -20.254 1.572 -4.091 1.00 0.00 C ATOM 804 CG ARG A 50 -20.511 0.178 -3.516 1.00 0.00 C ATOM 805 CD ARG A 50 -20.741 -0.812 -4.657 1.00 0.00 C ATOM 806 NE ARG A 50 -22.186 -1.196 -4.701 1.00 0.00 N ATOM 807 CZ ARG A 50 -22.819 -1.572 -3.620 1.00 0.00 C ATOM 808 NH1 ARG A 50 -22.167 -1.818 -2.514 1.00 0.00 N ATOM 809 NH2 ARG A 50 -24.109 -1.760 -3.661 1.00 0.00 N ATOM 0 H ARG A 50 -19.336 3.605 -5.217 1.00 0.00 H new ATOM 0 HA ARG A 50 -18.211 1.640 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -20.613 2.335 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.806 1.701 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -19.661 -0.139 -2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -21.380 0.199 -2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -20.443 -0.365 -5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.123 -1.698 -4.514 1.00 0.00 H new ATOM 0 HE ARG A 50 -22.686 -1.164 -5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -21.152 -1.717 -2.487 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -22.673 -2.111 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.618 -1.614 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -24.609 -2.053 -2.821 1.00 0.00 H new ATOM 823 N GLU A 51 -18.258 0.996 -6.595 1.00 0.00 N ATOM 824 CA GLU A 51 -17.797 -0.008 -7.591 1.00 0.00 C ATOM 825 C GLU A 51 -16.464 -0.598 -7.121 1.00 0.00 C ATOM 826 O GLU A 51 -16.146 -1.746 -7.379 1.00 0.00 O ATOM 827 CB GLU A 51 -17.619 0.667 -8.952 1.00 0.00 C ATOM 828 CG GLU A 51 -16.622 1.821 -8.828 1.00 0.00 C ATOM 829 CD GLU A 51 -15.346 1.483 -9.602 1.00 0.00 C ATOM 830 OE1 GLU A 51 -15.257 0.377 -10.108 1.00 0.00 O ATOM 831 OE2 GLU A 51 -14.479 2.338 -9.676 1.00 0.00 O ATOM 0 H GLU A 51 -18.541 1.897 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.535 -0.805 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.262 -0.057 -9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.578 1.039 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.063 2.739 -9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.386 2.000 -7.779 1.00 0.00 H new ATOM 838 N THR A 52 -15.682 0.171 -6.415 1.00 0.00 N ATOM 839 CA THR A 52 -14.386 -0.363 -5.922 1.00 0.00 C ATOM 840 C THR A 52 -14.672 -1.473 -4.915 1.00 0.00 C ATOM 841 O THR A 52 -14.082 -2.533 -4.960 1.00 0.00 O ATOM 842 CB THR A 52 -13.586 0.752 -5.250 1.00 0.00 C ATOM 843 OG1 THR A 52 -14.008 2.009 -5.759 1.00 0.00 O ATOM 844 CG2 THR A 52 -12.095 0.559 -5.531 1.00 0.00 C ATOM 0 H THR A 52 -15.884 1.138 -6.161 1.00 0.00 H new ATOM 0 HA THR A 52 -13.804 -0.756 -6.756 1.00 0.00 H new ATOM 0 HB THR A 52 -13.755 0.720 -4.174 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.750 2.349 -5.217 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.528 1.356 -5.050 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.772 -0.405 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.921 0.588 -6.607 1.00 0.00 H new ATOM 852 N VAL A 53 -15.589 -1.247 -4.014 1.00 0.00 N ATOM 853 CA VAL A 53 -15.921 -2.304 -3.022 1.00 0.00 C ATOM 854 C VAL A 53 -16.116 -3.622 -3.769 1.00 0.00 C ATOM 855 O VAL A 53 -15.859 -4.689 -3.248 1.00 0.00 O ATOM 856 CB VAL A 53 -17.213 -1.934 -2.289 1.00 0.00 C ATOM 857 CG1 VAL A 53 -17.490 -2.960 -1.189 1.00 0.00 C ATOM 858 CG2 VAL A 53 -17.063 -0.546 -1.664 1.00 0.00 C ATOM 0 H VAL A 53 -16.119 -0.380 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.116 -2.400 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 53 -18.042 -1.928 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.410 -2.695 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.596 -3.950 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.661 -2.967 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -17.982 -0.281 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.233 -0.553 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.867 0.186 -2.447 1.00 0.00 H new ATOM 868 N GLU A 54 -16.555 -3.551 -4.997 1.00 0.00 N ATOM 869 CA GLU A 54 -16.751 -4.794 -5.788 1.00 0.00 C ATOM 870 C GLU A 54 -15.374 -5.352 -6.149 1.00 0.00 C ATOM 871 O GLU A 54 -15.119 -6.533 -6.026 1.00 0.00 O ATOM 872 CB GLU A 54 -17.546 -4.472 -7.062 1.00 0.00 C ATOM 873 CG GLU A 54 -17.295 -5.546 -8.126 1.00 0.00 C ATOM 874 CD GLU A 54 -18.582 -5.800 -8.912 1.00 0.00 C ATOM 875 OE1 GLU A 54 -19.517 -5.033 -8.744 1.00 0.00 O ATOM 876 OE2 GLU A 54 -18.612 -6.755 -9.670 1.00 0.00 O ATOM 0 H GLU A 54 -16.786 -2.685 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.308 -5.531 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -18.610 -4.419 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -17.253 -3.494 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -16.502 -5.225 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.957 -6.468 -7.654 1.00 0.00 H new ATOM 883 N GLU A 55 -14.482 -4.506 -6.588 1.00 0.00 N ATOM 884 CA GLU A 55 -13.119 -4.992 -6.948 1.00 0.00 C ATOM 885 C GLU A 55 -12.502 -5.715 -5.745 1.00 0.00 C ATOM 886 O GLU A 55 -12.036 -6.832 -5.852 1.00 0.00 O ATOM 887 CB GLU A 55 -12.235 -3.805 -7.337 1.00 0.00 C ATOM 888 CG GLU A 55 -10.928 -4.320 -7.947 1.00 0.00 C ATOM 889 CD GLU A 55 -10.168 -3.155 -8.585 1.00 0.00 C ATOM 890 OE1 GLU A 55 -10.812 -2.195 -8.973 1.00 0.00 O ATOM 891 OE2 GLU A 55 -8.954 -3.243 -8.674 1.00 0.00 O ATOM 0 H GLU A 55 -14.636 -3.505 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.191 -5.680 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.756 -3.168 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.023 -3.193 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.315 -4.790 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.140 -5.083 -8.696 1.00 0.00 H new ATOM 898 N ASN A 56 -12.496 -5.087 -4.599 1.00 0.00 N ATOM 899 CA ASN A 56 -11.910 -5.739 -3.393 1.00 0.00 C ATOM 900 C ASN A 56 -12.606 -7.078 -3.143 1.00 0.00 C ATOM 901 O ASN A 56 -11.983 -8.051 -2.763 1.00 0.00 O ATOM 902 CB ASN A 56 -12.106 -4.833 -2.176 1.00 0.00 C ATOM 903 CG ASN A 56 -10.776 -4.671 -1.438 1.00 0.00 C ATOM 904 OD1 ASN A 56 -10.408 -3.577 -1.060 1.00 0.00 O ATOM 905 ND2 ASN A 56 -10.033 -5.722 -1.217 1.00 0.00 N ATOM 0 H ASN A 56 -12.872 -4.151 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.846 -5.907 -3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.479 -3.859 -2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.854 -5.260 -1.508 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.144 -5.624 -0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.342 -6.641 -1.534 1.00 0.00 H new ATOM 912 N LEU A 57 -13.892 -7.138 -3.351 1.00 0.00 N ATOM 913 CA LEU A 57 -14.620 -8.416 -3.123 1.00 0.00 C ATOM 914 C LEU A 57 -13.996 -9.512 -3.986 1.00 0.00 C ATOM 915 O LEU A 57 -13.640 -10.569 -3.503 1.00 0.00 O ATOM 916 CB LEU A 57 -16.091 -8.245 -3.502 1.00 0.00 C ATOM 917 CG LEU A 57 -16.804 -9.595 -3.399 1.00 0.00 C ATOM 918 CD1 LEU A 57 -17.329 -9.788 -1.975 1.00 0.00 C ATOM 919 CD2 LEU A 57 -17.974 -9.627 -4.383 1.00 0.00 C ATOM 0 H LEU A 57 -14.469 -6.359 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.549 -8.692 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.566 -7.519 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.173 -7.855 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.104 -10.396 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -17.837 -10.750 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.495 -9.764 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -18.029 -8.988 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -18.483 -10.588 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -18.674 -8.827 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -17.600 -9.489 -5.398 1.00 0.00 H new ATOM 931 N GLY A 58 -13.859 -9.271 -5.261 1.00 0.00 N ATOM 932 CA GLY A 58 -13.255 -10.301 -6.150 1.00 0.00 C ATOM 933 C GLY A 58 -11.789 -10.496 -5.766 1.00 0.00 C ATOM 934 O GLY A 58 -11.153 -11.453 -6.160 1.00 0.00 O ATOM 0 H GLY A 58 -14.139 -8.406 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.796 -11.242 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.333 -9.991 -7.192 1.00 0.00 H new ATOM 938 N ARG A 59 -11.248 -9.591 -4.997 1.00 0.00 N ATOM 939 CA ARG A 59 -9.821 -9.719 -4.585 1.00 0.00 C ATOM 940 C ARG A 59 -9.740 -9.985 -3.079 1.00 0.00 C ATOM 941 O ARG A 59 -8.724 -9.758 -2.452 1.00 0.00 O ATOM 942 CB ARG A 59 -9.075 -8.425 -4.916 1.00 0.00 C ATOM 943 CG ARG A 59 -7.600 -8.743 -5.174 1.00 0.00 C ATOM 944 CD ARG A 59 -7.048 -7.793 -6.240 1.00 0.00 C ATOM 945 NE ARG A 59 -5.628 -7.463 -5.922 1.00 0.00 N ATOM 946 CZ ARG A 59 -4.866 -6.904 -6.825 1.00 0.00 C ATOM 947 NH1 ARG A 59 -5.344 -6.625 -8.007 1.00 0.00 N ATOM 948 NH2 ARG A 59 -3.622 -6.624 -6.544 1.00 0.00 N ATOM 0 H ARG A 59 -11.732 -8.769 -4.636 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.364 -10.550 -5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.516 -7.952 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.168 -7.717 -4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.029 -8.641 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.493 -9.777 -5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.114 -8.256 -7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.645 -6.882 -6.276 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.251 -7.674 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.315 -6.843 -8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.746 -6.189 -8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.246 -6.842 -5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.026 -6.188 -7.247 1.00 0.00 H new ATOM 962 N ALA A 60 -10.803 -10.464 -2.494 1.00 0.00 N ATOM 963 CA ALA A 60 -10.789 -10.745 -1.030 1.00 0.00 C ATOM 964 C ALA A 60 -9.895 -11.957 -0.746 1.00 0.00 C ATOM 965 O ALA A 60 -9.628 -12.289 0.392 1.00 0.00 O ATOM 966 CB ALA A 60 -12.215 -11.040 -0.557 1.00 0.00 C ATOM 0 H ALA A 60 -11.682 -10.673 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.399 -9.877 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.208 -11.246 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.850 -10.177 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.603 -11.907 -1.091 1.00 0.00 H new ATOM 972 N TRP A 61 -9.432 -12.621 -1.771 1.00 0.00 N ATOM 973 CA TRP A 61 -8.557 -13.811 -1.560 1.00 0.00 C ATOM 974 C TRP A 61 -7.089 -13.374 -1.571 1.00 0.00 C ATOM 975 O TRP A 61 -6.197 -14.154 -1.829 1.00 0.00 O ATOM 976 CB TRP A 61 -8.804 -14.823 -2.683 1.00 0.00 C ATOM 977 CG TRP A 61 -8.033 -16.078 -2.419 1.00 0.00 C ATOM 978 CD1 TRP A 61 -6.809 -16.355 -2.923 1.00 0.00 C ATOM 979 CD2 TRP A 61 -8.410 -17.229 -1.608 1.00 0.00 C ATOM 980 NE1 TRP A 61 -6.407 -17.598 -2.469 1.00 0.00 N ATOM 981 CE2 TRP A 61 -7.361 -18.178 -1.657 1.00 0.00 C ATOM 982 CE3 TRP A 61 -9.549 -17.540 -0.841 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -7.438 -19.390 -0.970 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -9.629 -18.760 -0.149 1.00 0.00 C ATOM 985 CH2 TRP A 61 -8.576 -19.683 -0.214 1.00 0.00 C ATOM 0 H TRP A 61 -9.622 -12.391 -2.746 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.787 -14.271 -0.599 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.868 -15.048 -2.753 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.504 -14.397 -3.640 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -6.238 -15.710 -3.574 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -5.515 -18.033 -2.705 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -10.366 -16.836 -0.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -6.623 -20.097 -1.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -10.507 -18.988 0.437 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -8.644 -20.619 0.320 1.00 0.00 H new ATOM 996 N ASP A 62 -6.832 -12.130 -1.294 1.00 0.00 N ATOM 997 CA ASP A 62 -5.423 -11.644 -1.294 1.00 0.00 C ATOM 998 C ASP A 62 -4.982 -11.318 0.135 1.00 0.00 C ATOM 999 O ASP A 62 -3.903 -10.803 0.357 1.00 0.00 O ATOM 1000 CB ASP A 62 -5.321 -10.386 -2.156 1.00 0.00 C ATOM 1001 CG ASP A 62 -3.877 -9.882 -2.156 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -2.996 -10.669 -2.459 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -3.677 -8.717 -1.853 1.00 0.00 O ATOM 0 H ASP A 62 -7.535 -11.426 -1.067 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.776 -12.422 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.641 -10.604 -3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.987 -9.614 -1.771 1.00 0.00 H new ATOM 1008 N VAL A 63 -5.802 -11.610 1.107 1.00 0.00 N ATOM 1009 CA VAL A 63 -5.419 -11.312 2.517 1.00 0.00 C ATOM 1010 C VAL A 63 -4.667 -12.504 3.108 1.00 0.00 C ATOM 1011 O VAL A 63 -3.774 -12.346 3.917 1.00 0.00 O ATOM 1012 CB VAL A 63 -6.677 -11.050 3.344 1.00 0.00 C ATOM 1013 CG1 VAL A 63 -6.316 -10.212 4.572 1.00 0.00 C ATOM 1014 CG2 VAL A 63 -7.698 -10.294 2.493 1.00 0.00 C ATOM 0 H VAL A 63 -6.719 -12.041 0.987 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.778 -10.431 2.536 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.104 -12.000 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.213 -10.025 5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.589 -10.751 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.888 -9.262 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.596 -10.107 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.271 -9.344 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.956 -10.891 1.618 1.00 0.00 H new ATOM 1024 N GLN A 64 -5.019 -13.697 2.715 1.00 0.00 N ATOM 1025 CA GLN A 64 -4.319 -14.893 3.261 1.00 0.00 C ATOM 1026 C GLN A 64 -2.813 -14.730 3.060 1.00 0.00 C ATOM 1027 O GLN A 64 -2.019 -15.112 3.896 1.00 0.00 O ATOM 1028 CB GLN A 64 -4.798 -16.149 2.527 1.00 0.00 C ATOM 1029 CG GLN A 64 -6.315 -16.277 2.668 1.00 0.00 C ATOM 1030 CD GLN A 64 -6.694 -16.284 4.150 1.00 0.00 C ATOM 1031 OE1 GLN A 64 -6.673 -17.317 4.789 1.00 0.00 O ATOM 1032 NE2 GLN A 64 -7.042 -15.166 4.728 1.00 0.00 N ATOM 0 H GLN A 64 -5.759 -13.895 2.041 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.540 -14.990 4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.524 -16.094 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.308 -17.032 2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.809 -15.449 2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.659 -17.194 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.060 -14.299 4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.296 -15.160 5.716 1.00 0.00 H new ATOM 1041 N GLU A 65 -2.415 -14.160 1.957 1.00 0.00 N ATOM 1042 CA GLU A 65 -0.961 -13.969 1.704 1.00 0.00 C ATOM 1043 C GLU A 65 -0.423 -12.891 2.646 1.00 0.00 C ATOM 1044 O GLU A 65 0.720 -12.927 3.057 1.00 0.00 O ATOM 1045 CB GLU A 65 -0.746 -13.536 0.252 1.00 0.00 C ATOM 1046 CG GLU A 65 -0.015 -14.645 -0.509 1.00 0.00 C ATOM 1047 CD GLU A 65 0.087 -14.269 -1.988 1.00 0.00 C ATOM 1048 OE1 GLU A 65 -0.465 -13.246 -2.359 1.00 0.00 O ATOM 1049 OE2 GLU A 65 0.716 -15.011 -2.724 1.00 0.00 O ATOM 0 H GLU A 65 -3.033 -13.819 1.221 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.433 -14.906 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.705 -13.326 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.166 -12.614 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.981 -14.792 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.549 -15.589 -0.399 1.00 0.00 H new ATOM 1056 N MET A 66 -1.239 -11.934 2.994 1.00 0.00 N ATOM 1057 CA MET A 66 -0.774 -10.856 3.911 1.00 0.00 C ATOM 1058 C MET A 66 -0.522 -11.446 5.301 1.00 0.00 C ATOM 1059 O MET A 66 0.074 -10.819 6.155 1.00 0.00 O ATOM 1060 CB MET A 66 -1.848 -9.771 4.003 1.00 0.00 C ATOM 1061 CG MET A 66 -1.354 -8.505 3.300 1.00 0.00 C ATOM 1062 SD MET A 66 -2.773 -7.508 2.779 1.00 0.00 S ATOM 1063 CE MET A 66 -2.607 -7.788 0.999 1.00 0.00 C ATOM 0 H MET A 66 -2.207 -11.852 2.683 1.00 0.00 H new ATOM 0 HA MET A 66 0.149 -10.422 3.528 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.772 -10.119 3.542 1.00 0.00 H new ATOM 0 HB3 MET A 66 -2.074 -9.555 5.047 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.718 -7.928 3.972 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.746 -8.771 2.435 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.555 -7.572 0.507 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.833 -7.134 0.598 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.333 -8.827 0.818 1.00 0.00 H new ATOM 1073 N LEU A 67 -0.975 -12.646 5.535 1.00 0.00 N ATOM 1074 CA LEU A 67 -0.770 -13.281 6.868 1.00 0.00 C ATOM 1075 C LEU A 67 0.715 -13.597 7.078 1.00 0.00 C ATOM 1076 O LEU A 67 1.292 -13.263 8.094 1.00 0.00 O ATOM 1077 CB LEU A 67 -1.577 -14.578 6.937 1.00 0.00 C ATOM 1078 CG LEU A 67 -1.852 -14.932 8.398 1.00 0.00 C ATOM 1079 CD1 LEU A 67 -3.124 -15.777 8.486 1.00 0.00 C ATOM 1080 CD2 LEU A 67 -0.671 -15.726 8.961 1.00 0.00 C ATOM 0 H LEU A 67 -1.481 -13.217 4.858 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.102 -12.594 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.517 -14.463 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.028 -15.386 6.453 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.983 -14.017 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.321 -16.030 9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.965 -15.212 8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.993 -16.692 7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.866 -15.979 10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.540 -16.641 8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.235 -15.124 8.898 1.00 0.00 H new ATOM 1092 N VAL A 68 1.334 -14.250 6.133 1.00 0.00 N ATOM 1093 CA VAL A 68 2.777 -14.601 6.285 1.00 0.00 C ATOM 1094 C VAL A 68 3.603 -13.339 6.550 1.00 0.00 C ATOM 1095 O VAL A 68 4.484 -13.329 7.387 1.00 0.00 O ATOM 1096 CB VAL A 68 3.277 -15.268 5.004 1.00 0.00 C ATOM 1097 CG1 VAL A 68 4.743 -15.670 5.175 1.00 0.00 C ATOM 1098 CG2 VAL A 68 2.439 -16.515 4.715 1.00 0.00 C ATOM 0 H VAL A 68 0.903 -14.557 5.261 1.00 0.00 H new ATOM 0 HA VAL A 68 2.887 -15.285 7.127 1.00 0.00 H new ATOM 0 HB VAL A 68 3.186 -14.568 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.099 -16.146 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.342 -14.783 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.834 -16.369 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.796 -16.990 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.529 -17.214 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.394 -16.231 4.591 1.00 0.00 H new ATOM 1108 N ASP A 69 3.341 -12.280 5.835 1.00 0.00 N ATOM 1109 CA ASP A 69 4.128 -11.032 6.042 1.00 0.00 C ATOM 1110 C ASP A 69 3.406 -10.111 7.028 1.00 0.00 C ATOM 1111 O ASP A 69 2.227 -10.262 7.283 1.00 0.00 O ATOM 1112 CB ASP A 69 4.292 -10.313 4.701 1.00 0.00 C ATOM 1113 CG ASP A 69 2.959 -10.317 3.951 1.00 0.00 C ATOM 1114 OD1 ASP A 69 2.685 -11.295 3.276 1.00 0.00 O ATOM 1115 OD2 ASP A 69 2.235 -9.342 4.066 1.00 0.00 O ATOM 0 H ASP A 69 2.618 -12.225 5.118 1.00 0.00 H new ATOM 0 HA ASP A 69 5.106 -11.288 6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.626 -9.288 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.059 -10.806 4.104 1.00 0.00 H new ATOM 1120 N VAL A 70 4.103 -9.152 7.584 1.00 0.00 N ATOM 1121 CA VAL A 70 3.443 -8.222 8.549 1.00 0.00 C ATOM 1122 C VAL A 70 2.692 -7.138 7.768 1.00 0.00 C ATOM 1123 O VAL A 70 2.761 -7.080 6.557 1.00 0.00 O ATOM 1124 CB VAL A 70 4.497 -7.588 9.479 1.00 0.00 C ATOM 1125 CG1 VAL A 70 4.986 -6.247 8.920 1.00 0.00 C ATOM 1126 CG2 VAL A 70 3.869 -7.348 10.848 1.00 0.00 C ATOM 0 H VAL A 70 5.093 -8.974 7.413 1.00 0.00 H new ATOM 0 HA VAL A 70 2.734 -8.775 9.165 1.00 0.00 H new ATOM 0 HB VAL A 70 5.346 -8.267 9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.729 -5.821 9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.434 -6.404 7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.143 -5.562 8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.607 -6.900 11.513 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.017 -6.676 10.745 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.533 -8.297 11.266 1.00 0.00 H new ATOM 1136 N ILE A 71 1.974 -6.283 8.447 1.00 0.00 N ATOM 1137 CA ILE A 71 1.222 -5.215 7.732 1.00 0.00 C ATOM 1138 C ILE A 71 1.151 -3.947 8.592 1.00 0.00 C ATOM 1139 O ILE A 71 0.908 -4.001 9.781 1.00 0.00 O ATOM 1140 CB ILE A 71 -0.201 -5.701 7.435 1.00 0.00 C ATOM 1141 CG1 ILE A 71 -0.587 -6.828 8.401 1.00 0.00 C ATOM 1142 CG2 ILE A 71 -0.274 -6.219 5.998 1.00 0.00 C ATOM 1143 CD1 ILE A 71 -2.070 -6.713 8.757 1.00 0.00 C ATOM 0 H ILE A 71 1.877 -6.279 9.462 1.00 0.00 H new ATOM 0 HA ILE A 71 1.739 -4.987 6.800 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.893 -4.869 7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.386 -7.797 7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.020 -6.770 9.305 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.286 -6.565 5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.013 -5.416 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.425 -7.046 5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.343 -7.515 9.443 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.257 -5.750 9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.669 -6.793 7.850 1.00 0.00 H new ATOM 1155 N THR A 72 1.346 -2.804 7.987 1.00 0.00 N ATOM 1156 CA THR A 72 1.274 -1.521 8.746 1.00 0.00 C ATOM 1157 C THR A 72 0.661 -0.448 7.845 1.00 0.00 C ATOM 1158 O THR A 72 0.704 -0.540 6.634 1.00 0.00 O ATOM 1159 CB THR A 72 2.672 -1.097 9.222 1.00 0.00 C ATOM 1160 OG1 THR A 72 3.470 -2.253 9.436 1.00 0.00 O ATOM 1161 CG2 THR A 72 2.544 -0.321 10.533 1.00 0.00 C ATOM 0 H THR A 72 1.553 -2.704 6.993 1.00 0.00 H new ATOM 0 HA THR A 72 0.649 -1.653 9.629 1.00 0.00 H new ATOM 0 HB THR A 72 3.140 -0.467 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.889 -2.522 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.534 -0.018 10.875 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.929 0.564 10.373 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.078 -0.955 11.287 1.00 0.00 H new ATOM 1169 N ILE A 73 0.062 0.553 8.424 1.00 0.00 N ATOM 1170 CA ILE A 73 -0.580 1.611 7.612 1.00 0.00 C ATOM 1171 C ILE A 73 -0.432 2.963 8.313 1.00 0.00 C ATOM 1172 O ILE A 73 0.062 3.054 9.419 1.00 0.00 O ATOM 1173 CB ILE A 73 -2.065 1.288 7.453 1.00 0.00 C ATOM 1174 CG1 ILE A 73 -2.616 0.701 8.759 1.00 0.00 C ATOM 1175 CG2 ILE A 73 -2.253 0.278 6.322 1.00 0.00 C ATOM 1176 CD1 ILE A 73 -2.933 1.836 9.735 1.00 0.00 C ATOM 0 H ILE A 73 -0.009 0.681 9.433 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.102 1.657 6.634 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.605 2.205 7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.515 0.119 8.558 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.888 0.021 9.200 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.313 0.049 6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.873 0.699 5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.707 -0.636 6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.325 1.419 10.663 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.024 2.399 9.945 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.677 2.499 9.293 1.00 0.00 H new ATOM 1188 N GLY A 74 -0.855 4.014 7.668 1.00 0.00 N ATOM 1189 CA GLY A 74 -0.744 5.370 8.272 1.00 0.00 C ATOM 1190 C GLY A 74 -1.367 6.389 7.318 1.00 0.00 C ATOM 1191 O GLY A 74 -0.721 7.318 6.875 1.00 0.00 O ATOM 0 H GLY A 74 -1.277 3.991 6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.252 5.396 9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.302 5.616 8.456 1.00 0.00 H new ATOM 1195 N GLY A 75 -2.618 6.212 6.992 1.00 0.00 N ATOM 1196 CA GLY A 75 -3.294 7.158 6.059 1.00 0.00 C ATOM 1197 C GLY A 75 -3.782 6.387 4.830 1.00 0.00 C ATOM 1198 O GLY A 75 -3.373 6.653 3.719 1.00 0.00 O ATOM 0 H GLY A 75 -3.204 5.450 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.134 7.642 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.604 7.947 5.759 1.00 0.00 H new ATOM 1202 N ASN A 76 -4.658 5.437 5.024 1.00 0.00 N ATOM 1203 CA ASN A 76 -5.181 4.648 3.881 1.00 0.00 C ATOM 1204 C ASN A 76 -6.254 3.692 4.398 1.00 0.00 C ATOM 1205 O ASN A 76 -6.104 3.074 5.433 1.00 0.00 O ATOM 1206 CB ASN A 76 -4.034 3.856 3.236 1.00 0.00 C ATOM 1207 CG ASN A 76 -3.811 2.530 3.973 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -3.553 2.516 5.160 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -3.904 1.408 3.312 1.00 0.00 N ATOM 0 H ASN A 76 -5.034 5.175 5.935 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.613 5.312 3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.264 3.662 2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.119 4.448 3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.760 0.520 3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.121 1.420 2.315 1.00 0.00 H new ATOM 1216 N VAL A 77 -7.324 3.555 3.682 1.00 0.00 N ATOM 1217 CA VAL A 77 -8.395 2.631 4.122 1.00 0.00 C ATOM 1218 C VAL A 77 -9.563 2.710 3.144 1.00 0.00 C ATOM 1219 O VAL A 77 -10.550 3.366 3.402 1.00 0.00 O ATOM 1220 CB VAL A 77 -8.865 3.015 5.525 1.00 0.00 C ATOM 1221 CG1 VAL A 77 -9.324 4.475 5.530 1.00 0.00 C ATOM 1222 CG2 VAL A 77 -10.030 2.112 5.936 1.00 0.00 C ATOM 0 H VAL A 77 -7.505 4.045 2.806 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.010 1.612 4.144 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.043 2.892 6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.659 4.748 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.494 5.118 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.146 4.600 4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -10.366 2.385 6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.852 2.235 5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.703 1.072 5.934 1.00 0.00 H new ATOM 1232 N ASP A 78 -9.452 2.046 2.024 1.00 0.00 N ATOM 1233 CA ASP A 78 -10.533 2.086 0.991 1.00 0.00 C ATOM 1234 C ASP A 78 -11.901 1.820 1.599 1.00 0.00 C ATOM 1235 O ASP A 78 -12.919 2.099 1.001 1.00 0.00 O ATOM 1236 CB ASP A 78 -10.247 1.029 -0.072 1.00 0.00 C ATOM 1237 CG ASP A 78 -10.305 1.669 -1.460 1.00 0.00 C ATOM 1238 OD1 ASP A 78 -10.845 2.758 -1.567 1.00 0.00 O ATOM 1239 OD2 ASP A 78 -9.808 1.059 -2.393 1.00 0.00 O ATOM 0 H ASP A 78 -8.648 1.469 1.776 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.545 3.083 0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.265 0.587 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.976 0.222 -0.002 1.00 0.00 H new ATOM 1244 N GLU A 79 -11.941 1.305 2.771 1.00 0.00 N ATOM 1245 CA GLU A 79 -13.257 1.048 3.413 1.00 0.00 C ATOM 1246 C GLU A 79 -13.431 1.996 4.602 1.00 0.00 C ATOM 1247 O GLU A 79 -12.890 1.776 5.667 1.00 0.00 O ATOM 1248 CB GLU A 79 -13.326 -0.402 3.895 1.00 0.00 C ATOM 1249 CG GLU A 79 -14.529 -1.099 3.254 1.00 0.00 C ATOM 1250 CD GLU A 79 -15.151 -2.073 4.257 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -15.073 -1.801 5.444 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -15.695 -3.074 3.821 1.00 0.00 O ATOM 0 H GLU A 79 -11.125 1.045 3.325 1.00 0.00 H new ATOM 0 HA GLU A 79 -14.054 1.219 2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.407 -0.927 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.412 -0.431 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.267 -0.360 2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.217 -1.634 2.357 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.179 3.053 4.428 1.00 0.00 N ATOM 1260 CA ASP A 80 -14.379 4.013 5.550 1.00 0.00 C ATOM 1261 C ASP A 80 -15.843 3.992 5.995 1.00 0.00 C ATOM 1262 O ASP A 80 -16.192 3.373 6.981 1.00 0.00 O ATOM 1263 CB ASP A 80 -14.006 5.424 5.086 1.00 0.00 C ATOM 1264 CG ASP A 80 -12.711 5.862 5.772 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.670 5.836 6.991 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -11.780 6.216 5.066 1.00 0.00 O ATOM 0 H ASP A 80 -14.658 3.292 3.560 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.745 3.724 6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.880 5.441 4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.810 6.121 5.324 1.00 0.00 H new ATOM 1271 N ASP A 81 -16.702 4.670 5.282 1.00 0.00 N ATOM 1272 CA ASP A 81 -18.140 4.694 5.674 1.00 0.00 C ATOM 1273 C ASP A 81 -18.947 3.772 4.755 1.00 0.00 C ATOM 1274 O ASP A 81 -19.113 2.599 5.028 1.00 0.00 O ATOM 1275 CB ASP A 81 -18.674 6.123 5.557 1.00 0.00 C ATOM 1276 CG ASP A 81 -18.658 6.788 6.934 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -17.614 6.774 7.565 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -19.691 7.300 7.335 1.00 0.00 O ATOM 0 H ASP A 81 -16.470 5.207 4.447 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.237 4.348 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -18.063 6.695 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -19.688 6.112 5.159 1.00 0.00 H new ATOM 1283 N ASP A 82 -19.458 4.293 3.673 1.00 0.00 N ATOM 1284 CA ASP A 82 -20.262 3.445 2.747 1.00 0.00 C ATOM 1285 C ASP A 82 -19.591 3.397 1.373 1.00 0.00 C ATOM 1286 O ASP A 82 -19.707 2.426 0.651 1.00 0.00 O ATOM 1287 CB ASP A 82 -21.666 4.035 2.606 1.00 0.00 C ATOM 1288 CG ASP A 82 -22.550 3.065 1.821 1.00 0.00 C ATOM 1289 OD1 ASP A 82 -22.744 1.957 2.294 1.00 0.00 O ATOM 1290 OD2 ASP A 82 -23.018 3.446 0.761 1.00 0.00 O ATOM 0 H ASP A 82 -19.354 5.267 3.390 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.328 2.435 3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -22.095 4.219 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.618 4.996 2.094 1.00 0.00 H new ATOM 1295 N ARG A 83 -18.887 4.431 1.005 1.00 0.00 N ATOM 1296 CA ARG A 83 -18.212 4.432 -0.323 1.00 0.00 C ATOM 1297 C ARG A 83 -16.822 3.818 -0.175 1.00 0.00 C ATOM 1298 O ARG A 83 -16.559 3.081 0.754 1.00 0.00 O ATOM 1299 CB ARG A 83 -18.088 5.867 -0.838 1.00 0.00 C ATOM 1300 CG ARG A 83 -18.706 5.959 -2.234 1.00 0.00 C ATOM 1301 CD ARG A 83 -18.396 7.326 -2.846 1.00 0.00 C ATOM 1302 NE ARG A 83 -19.555 7.775 -3.667 1.00 0.00 N ATOM 1303 CZ ARG A 83 -19.648 9.021 -4.046 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -18.727 9.883 -3.704 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -20.663 9.408 -4.768 1.00 0.00 N ATOM 0 H ARG A 83 -18.750 5.273 1.564 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.799 3.849 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.592 6.554 -0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -17.040 6.164 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -18.311 5.167 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -19.784 5.812 -2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.191 8.051 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.500 7.265 -3.464 1.00 0.00 H new ATOM 0 HE ARG A 83 -20.278 7.107 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.932 9.583 -3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.803 10.856 -4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -21.383 8.737 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.736 10.381 -5.064 1.00 0.00 H new ATOM 1319 N PHE A 84 -15.928 4.109 -1.077 1.00 0.00 N ATOM 1320 CA PHE A 84 -14.563 3.529 -0.966 1.00 0.00 C ATOM 1321 C PHE A 84 -13.524 4.647 -1.025 1.00 0.00 C ATOM 1322 O PHE A 84 -13.438 5.375 -1.993 1.00 0.00 O ATOM 1323 CB PHE A 84 -14.325 2.552 -2.118 1.00 0.00 C ATOM 1324 CG PHE A 84 -13.929 1.204 -1.563 1.00 0.00 C ATOM 1325 CD1 PHE A 84 -14.691 0.612 -0.549 1.00 0.00 C ATOM 1326 CD2 PHE A 84 -12.802 0.543 -2.067 1.00 0.00 C ATOM 1327 CE1 PHE A 84 -14.326 -0.640 -0.039 1.00 0.00 C ATOM 1328 CE2 PHE A 84 -12.436 -0.708 -1.557 1.00 0.00 C ATOM 1329 CZ PHE A 84 -13.199 -1.300 -0.544 1.00 0.00 C ATOM 0 H PHE A 84 -16.082 4.719 -1.880 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.473 3.000 -0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.228 2.458 -2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -13.542 2.931 -2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -15.561 1.121 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -12.215 0.999 -2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -14.914 -1.097 0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.565 -1.216 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.918 -2.266 -0.152 1.00 0.00 H new ATOM 1339 N VAL A 85 -12.725 4.785 -0.003 1.00 0.00 N ATOM 1340 CA VAL A 85 -11.685 5.855 -0.021 1.00 0.00 C ATOM 1341 C VAL A 85 -10.439 5.362 0.683 1.00 0.00 C ATOM 1342 O VAL A 85 -10.516 4.743 1.713 1.00 0.00 O ATOM 1343 CB VAL A 85 -12.170 7.104 0.723 1.00 0.00 C ATOM 1344 CG1 VAL A 85 -11.965 6.917 2.233 1.00 0.00 C ATOM 1345 CG2 VAL A 85 -11.333 8.297 0.268 1.00 0.00 C ATOM 0 H VAL A 85 -12.745 4.209 0.838 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.479 6.101 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.227 7.268 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.311 7.806 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.532 6.051 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.906 6.761 2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.666 9.195 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.283 8.113 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.451 8.436 -0.807 1.00 0.00 H new ATOM 1355 N LEU A 86 -9.297 5.667 0.181 1.00 0.00 N ATOM 1356 CA LEU A 86 -8.080 5.242 0.874 1.00 0.00 C ATOM 1357 C LEU A 86 -6.983 6.240 0.556 1.00 0.00 C ATOM 1358 O LEU A 86 -7.242 7.378 0.240 1.00 0.00 O ATOM 1359 CB LEU A 86 -7.697 3.834 0.421 1.00 0.00 C ATOM 1360 CG LEU A 86 -7.020 3.860 -0.947 1.00 0.00 C ATOM 1361 CD1 LEU A 86 -5.583 3.356 -0.819 1.00 0.00 C ATOM 1362 CD2 LEU A 86 -7.783 2.953 -1.912 1.00 0.00 C ATOM 0 H LEU A 86 -9.154 6.193 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.237 5.212 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.027 3.383 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.588 3.208 0.377 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.017 4.882 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.102 3.376 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.032 3.997 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.588 2.335 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.299 2.972 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.785 1.933 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.810 3.306 -2.009 1.00 0.00 H new ATOM 1374 N GLU A 87 -5.771 5.829 0.642 1.00 0.00 N ATOM 1375 CA GLU A 87 -4.644 6.770 0.341 1.00 0.00 C ATOM 1376 C GLU A 87 -4.289 6.730 -1.141 1.00 0.00 C ATOM 1377 O GLU A 87 -4.743 5.892 -1.890 1.00 0.00 O ATOM 1378 CB GLU A 87 -3.388 6.407 1.142 1.00 0.00 C ATOM 1379 CG GLU A 87 -2.329 5.789 0.210 1.00 0.00 C ATOM 1380 CD GLU A 87 -1.255 5.066 1.023 1.00 0.00 C ATOM 1381 OE1 GLU A 87 -1.447 4.905 2.214 1.00 0.00 O ATOM 1382 OE2 GLU A 87 -0.255 4.684 0.437 1.00 0.00 O ATOM 0 H GLU A 87 -5.492 4.884 0.907 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.980 7.769 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.985 7.297 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.643 5.703 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.805 5.090 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.870 6.570 -0.397 1.00 0.00 H new