USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=6 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 : amide:sc= -0.189 X(o=-3.2,f=-3.3) USER MOD Set 1.2: A 34 HIS : no HD1:sc= -2.98! C(o=-3.2!,f=-2.2!) USER MOD Single : A 3 SER OG : rot 12:sc= 0.853 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 10 GLN : amide:sc= -6.15! C(o=-6.1!,f=-2.8!) USER MOD Single : A 12 ASN : amide:sc= -1.09 K(o=-1.1,f=-5!) USER MOD Single : A 14 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 26 ASN : amide:sc= -0.707 K(o=-0.71,f=0.026) USER MOD Single : A 28 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.011) USER MOD Single : A 33 HIS : no HD1:sc= -3.78! K(o=-3.8!,f=-1.6) 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 91:sc= -3.77! USER MOD Single : A 56 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.0071) USER MOD Single : A 64 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.64) USER MOD Single : A 66 MET CE :methyl 146:sc= -0.624 (180deg=-3.23!) USER MOD Single : A 72 THR OG1 : rot -126:sc= -6.95! USER MOD Single : A 76 ASN : amide:sc= -0.372 K(o=-0.37,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 -0.084 16.602 1.403 1.00 0.00 N ATOM 32 CA SER A 3 -0.949 15.389 1.445 1.00 0.00 C ATOM 33 C SER A 3 -0.120 14.152 1.094 1.00 0.00 C ATOM 34 O SER A 3 0.033 13.812 -0.060 1.00 0.00 O ATOM 35 CB SER A 3 -2.087 15.544 0.435 1.00 0.00 C ATOM 36 OG SER A 3 -2.251 16.921 0.121 1.00 0.00 O ATOM 0 HA SER A 3 -1.362 15.273 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.866 14.977 -0.469 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.012 15.140 0.847 1.00 0.00 H new ATOM 0 HG SER A 3 -1.491 17.430 0.473 1.00 0.00 H new ATOM 42 N LEU A 4 0.418 13.473 2.074 1.00 0.00 N ATOM 43 CA LEU A 4 1.226 12.268 1.774 1.00 0.00 C ATOM 44 C LEU A 4 1.056 11.224 2.874 1.00 0.00 C ATOM 45 O LEU A 4 0.737 11.532 4.005 1.00 0.00 O ATOM 46 CB LEU A 4 2.707 12.638 1.645 1.00 0.00 C ATOM 47 CG LEU A 4 3.109 13.723 2.657 1.00 0.00 C ATOM 48 CD1 LEU A 4 2.482 15.066 2.275 1.00 0.00 C ATOM 49 CD2 LEU A 4 2.653 13.319 4.062 1.00 0.00 C ATOM 0 H LEU A 4 0.330 13.705 3.063 1.00 0.00 H new ATOM 0 HA LEU A 4 0.877 11.851 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.319 11.750 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.908 12.991 0.633 1.00 0.00 H new ATOM 0 HG LEU A 4 4.194 13.826 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.776 15.824 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.827 15.360 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.396 14.972 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.941 14.092 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.569 13.201 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.124 12.376 4.340 1.00 0.00 H new ATOM 61 N VAL A 5 1.268 9.982 2.535 1.00 0.00 N ATOM 62 CA VAL A 5 1.125 8.894 3.532 1.00 0.00 C ATOM 63 C VAL A 5 2.483 8.241 3.764 1.00 0.00 C ATOM 64 O VAL A 5 3.498 8.700 3.280 1.00 0.00 O ATOM 65 CB VAL A 5 0.151 7.849 2.995 1.00 0.00 C ATOM 66 CG1 VAL A 5 -1.071 8.555 2.423 1.00 0.00 C ATOM 67 CG2 VAL A 5 0.822 7.028 1.891 1.00 0.00 C ATOM 0 H VAL A 5 1.537 9.676 1.600 1.00 0.00 H new ATOM 0 HA VAL A 5 0.750 9.302 4.470 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.147 7.183 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.772 7.814 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.554 9.138 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.763 9.218 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.120 6.284 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.123 7.689 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.701 6.525 2.295 1.00 0.00 H new ATOM 77 N TYR A 6 2.501 7.162 4.485 1.00 0.00 N ATOM 78 CA TYR A 6 3.781 6.463 4.740 1.00 0.00 C ATOM 79 C TYR A 6 3.476 5.017 5.132 1.00 0.00 C ATOM 80 O TYR A 6 2.569 4.748 5.887 1.00 0.00 O ATOM 81 CB TYR A 6 4.526 7.173 5.877 1.00 0.00 C ATOM 82 CG TYR A 6 5.532 6.234 6.496 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.137 5.371 7.524 1.00 0.00 C ATOM 84 CD2 TYR A 6 6.853 6.221 6.037 1.00 0.00 C ATOM 85 CE1 TYR A 6 6.065 4.494 8.096 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.781 5.345 6.608 1.00 0.00 C ATOM 87 CZ TYR A 6 7.388 4.480 7.638 1.00 0.00 C ATOM 88 OH TYR A 6 8.304 3.617 8.203 1.00 0.00 O ATOM 0 H TYR A 6 1.679 6.733 4.911 1.00 0.00 H new ATOM 0 HA TYR A 6 4.406 6.475 3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.031 8.060 5.495 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.817 7.511 6.633 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.116 5.382 7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.156 6.887 5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.761 3.828 8.890 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.802 5.335 6.255 1.00 0.00 H new ATOM 0 HH TYR A 6 9.175 3.734 7.769 1.00 0.00 H new ATOM 98 N ILE A 7 4.230 4.091 4.624 1.00 0.00 N ATOM 99 CA ILE A 7 3.994 2.666 4.959 1.00 0.00 C ATOM 100 C ILE A 7 5.288 1.894 4.699 1.00 0.00 C ATOM 101 O ILE A 7 5.994 2.168 3.750 1.00 0.00 O ATOM 102 CB ILE A 7 2.881 2.121 4.061 1.00 0.00 C ATOM 103 CG1 ILE A 7 3.429 1.943 2.639 1.00 0.00 C ATOM 104 CG2 ILE A 7 1.709 3.109 4.032 1.00 0.00 C ATOM 105 CD1 ILE A 7 2.274 1.801 1.649 1.00 0.00 C ATOM 0 H ILE A 7 5.007 4.261 3.985 1.00 0.00 H new ATOM 0 HA ILE A 7 3.699 2.560 6.003 1.00 0.00 H new ATOM 0 HB ILE A 7 2.535 1.163 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.048 2.799 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.068 1.061 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.919 2.717 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.323 3.246 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.051 4.068 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.671 1.675 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.673 0.931 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.652 2.696 1.684 1.00 0.00 H new ATOM 117 N ALA A 8 5.616 0.938 5.519 1.00 0.00 N ATOM 118 CA ALA A 8 6.876 0.185 5.275 1.00 0.00 C ATOM 119 C ALA A 8 6.714 -1.268 5.719 1.00 0.00 C ATOM 120 O ALA A 8 5.961 -1.581 6.620 1.00 0.00 O ATOM 121 CB ALA A 8 8.020 0.844 6.048 1.00 0.00 C ATOM 0 H ALA A 8 5.077 0.648 6.335 1.00 0.00 H new ATOM 0 HA ALA A 8 7.104 0.201 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.944 0.293 5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.141 1.874 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.792 0.835 7.114 1.00 0.00 H new ATOM 127 N PHE A 9 7.417 -2.159 5.081 1.00 0.00 N ATOM 128 CA PHE A 9 7.321 -3.595 5.441 1.00 0.00 C ATOM 129 C PHE A 9 8.728 -4.180 5.516 1.00 0.00 C ATOM 130 O PHE A 9 9.696 -3.543 5.149 1.00 0.00 O ATOM 131 CB PHE A 9 6.537 -4.334 4.356 1.00 0.00 C ATOM 132 CG PHE A 9 5.068 -4.350 4.698 1.00 0.00 C ATOM 133 CD1 PHE A 9 4.307 -3.183 4.568 1.00 0.00 C ATOM 134 CD2 PHE A 9 4.463 -5.535 5.136 1.00 0.00 C ATOM 135 CE1 PHE A 9 2.943 -3.199 4.877 1.00 0.00 C ATOM 136 CE2 PHE A 9 3.098 -5.552 5.444 1.00 0.00 C ATOM 137 CZ PHE A 9 2.337 -4.383 5.314 1.00 0.00 C ATOM 0 H PHE A 9 8.060 -1.949 4.318 1.00 0.00 H new ATOM 0 HA PHE A 9 6.817 -3.703 6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.689 -3.848 3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 9 6.907 -5.355 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.773 -2.270 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.050 -6.436 5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.357 -2.297 4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.632 -6.466 5.782 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.283 -4.395 5.551 1.00 0.00 H new ATOM 147 N GLN A 10 8.851 -5.393 5.970 1.00 0.00 N ATOM 148 CA GLN A 10 10.199 -6.019 6.040 1.00 0.00 C ATOM 149 C GLN A 10 10.070 -7.520 5.798 1.00 0.00 C ATOM 150 O GLN A 10 10.065 -8.309 6.719 1.00 0.00 O ATOM 151 CB GLN A 10 10.830 -5.771 7.412 1.00 0.00 C ATOM 152 CG GLN A 10 12.353 -5.696 7.266 1.00 0.00 C ATOM 153 CD GLN A 10 12.900 -7.072 6.881 1.00 0.00 C ATOM 154 OE1 GLN A 10 13.525 -7.736 7.684 1.00 0.00 O ATOM 155 NE2 GLN A 10 12.693 -7.529 5.677 1.00 0.00 N ATOM 0 H GLN A 10 8.080 -5.977 6.295 1.00 0.00 H new ATOM 0 HA GLN A 10 10.838 -5.576 5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.448 -4.843 7.838 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.559 -6.572 8.099 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.620 -4.962 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.802 -5.364 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.168 -6.971 5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.056 -8.444 5.409 1.00 0.00 H new ATOM 164 N ASP A 11 9.977 -7.916 4.557 1.00 0.00 N ATOM 165 CA ASP A 11 9.859 -9.365 4.236 1.00 0.00 C ATOM 166 C ASP A 11 11.182 -9.856 3.650 1.00 0.00 C ATOM 167 O ASP A 11 12.129 -9.106 3.523 1.00 0.00 O ATOM 168 CB ASP A 11 8.743 -9.571 3.208 1.00 0.00 C ATOM 169 CG ASP A 11 7.993 -10.869 3.515 1.00 0.00 C ATOM 170 OD1 ASP A 11 8.548 -11.698 4.217 1.00 0.00 O ATOM 171 OD2 ASP A 11 6.878 -11.011 3.042 1.00 0.00 O ATOM 0 H ASP A 11 9.978 -7.294 3.749 1.00 0.00 H new ATOM 0 HA ASP A 11 9.625 -9.924 5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.054 -8.727 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.164 -9.612 2.203 1.00 0.00 H new ATOM 176 N ASN A 12 11.258 -11.106 3.287 1.00 0.00 N ATOM 177 CA ASN A 12 12.525 -11.628 2.706 1.00 0.00 C ATOM 178 C ASN A 12 12.787 -10.929 1.369 1.00 0.00 C ATOM 179 O ASN A 12 13.314 -9.834 1.327 1.00 0.00 O ATOM 180 CB ASN A 12 12.408 -13.138 2.491 1.00 0.00 C ATOM 181 CG ASN A 12 13.645 -13.644 1.748 1.00 0.00 C ATOM 182 OD1 ASN A 12 13.632 -13.775 0.541 1.00 0.00 O ATOM 183 ND2 ASN A 12 14.723 -13.936 2.424 1.00 0.00 N ATOM 0 H ASN A 12 10.501 -11.785 3.367 1.00 0.00 H new ATOM 0 HA ASN A 12 13.352 -11.431 3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.313 -13.647 3.450 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.508 -13.366 1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 12 15.554 -14.274 1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 12 14.735 -13.826 3.438 1.00 0.00 H new ATOM 190 N ASP A 13 12.425 -11.544 0.276 1.00 0.00 N ATOM 191 CA ASP A 13 12.659 -10.898 -1.048 1.00 0.00 C ATOM 192 C ASP A 13 11.621 -11.393 -2.062 1.00 0.00 C ATOM 193 O ASP A 13 11.768 -11.201 -3.253 1.00 0.00 O ATOM 194 CB ASP A 13 14.063 -11.250 -1.543 1.00 0.00 C ATOM 195 CG ASP A 13 14.851 -9.964 -1.804 1.00 0.00 C ATOM 196 OD1 ASP A 13 14.723 -9.044 -1.014 1.00 0.00 O ATOM 197 OD2 ASP A 13 15.569 -9.922 -2.789 1.00 0.00 O ATOM 0 H ASP A 13 11.980 -12.461 0.242 1.00 0.00 H new ATOM 0 HA ASP A 13 12.567 -9.817 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.579 -11.861 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.000 -11.842 -2.456 1.00 0.00 H new ATOM 202 N ASN A 14 10.574 -12.026 -1.604 1.00 0.00 N ATOM 203 CA ASN A 14 9.534 -12.527 -2.546 1.00 0.00 C ATOM 204 C ASN A 14 8.327 -11.587 -2.514 1.00 0.00 C ATOM 205 O ASN A 14 7.910 -11.059 -3.526 1.00 0.00 O ATOM 206 CB ASN A 14 9.098 -13.932 -2.123 1.00 0.00 C ATOM 207 CG ASN A 14 9.262 -14.898 -3.299 1.00 0.00 C ATOM 208 OD1 ASN A 14 9.241 -14.491 -4.443 1.00 0.00 O ATOM 209 ND2 ASN A 14 9.427 -16.171 -3.062 1.00 0.00 N ATOM 0 H ASN A 14 10.395 -12.217 -0.618 1.00 0.00 H new ATOM 0 HA ASN A 14 9.942 -12.563 -3.556 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.696 -14.269 -1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.059 -13.917 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.538 -16.824 -3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.445 -16.513 -2.101 1.00 0.00 H new ATOM 216 N ALA A 15 7.760 -11.379 -1.357 1.00 0.00 N ATOM 217 CA ALA A 15 6.577 -10.479 -1.255 1.00 0.00 C ATOM 218 C ALA A 15 6.967 -9.065 -1.675 1.00 0.00 C ATOM 219 O ALA A 15 6.355 -8.472 -2.542 1.00 0.00 O ATOM 220 CB ALA A 15 6.071 -10.463 0.189 1.00 0.00 C ATOM 0 H ALA A 15 8.066 -11.794 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 15 5.789 -10.844 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.206 -9.805 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.786 -11.472 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.861 -10.101 0.847 1.00 0.00 H new ATOM 226 N ARG A 16 7.975 -8.518 -1.066 1.00 0.00 N ATOM 227 CA ARG A 16 8.401 -7.143 -1.427 1.00 0.00 C ATOM 228 C ARG A 16 8.583 -7.043 -2.944 1.00 0.00 C ATOM 229 O ARG A 16 8.235 -6.053 -3.556 1.00 0.00 O ATOM 230 CB ARG A 16 9.714 -6.824 -0.709 1.00 0.00 C ATOM 231 CG ARG A 16 10.895 -7.445 -1.464 1.00 0.00 C ATOM 232 CD ARG A 16 12.206 -7.026 -0.797 1.00 0.00 C ATOM 233 NE ARG A 16 13.132 -6.472 -1.825 1.00 0.00 N ATOM 234 CZ ARG A 16 14.184 -5.790 -1.461 1.00 0.00 C ATOM 235 NH1 ARG A 16 14.428 -5.586 -0.194 1.00 0.00 N ATOM 236 NH2 ARG A 16 14.993 -5.308 -2.366 1.00 0.00 N ATOM 0 H ARG A 16 8.524 -8.965 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 16 7.641 -6.424 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.845 -5.744 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.682 -7.208 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.807 -8.531 -1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.885 -7.122 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.012 -6.279 -0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.665 -7.882 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 16 12.943 -6.626 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 16 13.796 -5.960 0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.251 -5.053 0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.802 -5.465 -3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.815 -4.775 -2.083 1.00 0.00 H new ATOM 250 N TYR A 17 9.120 -8.063 -3.557 1.00 0.00 N ATOM 251 CA TYR A 17 9.314 -8.022 -5.034 1.00 0.00 C ATOM 252 C TYR A 17 7.958 -7.832 -5.715 1.00 0.00 C ATOM 253 O TYR A 17 7.801 -7.003 -6.589 1.00 0.00 O ATOM 254 CB TYR A 17 9.939 -9.336 -5.506 1.00 0.00 C ATOM 255 CG TYR A 17 11.101 -9.037 -6.419 1.00 0.00 C ATOM 256 CD1 TYR A 17 12.229 -8.377 -5.921 1.00 0.00 C ATOM 257 CD2 TYR A 17 11.049 -9.418 -7.765 1.00 0.00 C ATOM 258 CE1 TYR A 17 13.308 -8.099 -6.767 1.00 0.00 C ATOM 259 CE2 TYR A 17 12.128 -9.140 -8.612 1.00 0.00 C ATOM 260 CZ TYR A 17 13.257 -8.480 -8.114 1.00 0.00 C ATOM 261 OH TYR A 17 14.321 -8.207 -8.949 1.00 0.00 O ATOM 0 H TYR A 17 9.432 -8.920 -3.100 1.00 0.00 H new ATOM 0 HA TYR A 17 9.975 -7.194 -5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.276 -9.920 -4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.196 -9.938 -6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.267 -8.082 -4.883 1.00 0.00 H new ATOM 0 HD2 TYR A 17 10.177 -9.926 -8.150 1.00 0.00 H new ATOM 0 HE1 TYR A 17 14.180 -7.591 -6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.089 -9.435 -9.650 1.00 0.00 H new ATOM 0 HH TYR A 17 14.124 -8.539 -9.850 1.00 0.00 H new ATOM 271 N VAL A 18 6.975 -8.594 -5.319 1.00 0.00 N ATOM 272 CA VAL A 18 5.628 -8.457 -5.939 1.00 0.00 C ATOM 273 C VAL A 18 5.178 -6.999 -5.849 1.00 0.00 C ATOM 274 O VAL A 18 4.827 -6.384 -6.836 1.00 0.00 O ATOM 275 CB VAL A 18 4.632 -9.345 -5.192 1.00 0.00 C ATOM 276 CG1 VAL A 18 3.217 -9.058 -5.694 1.00 0.00 C ATOM 277 CG2 VAL A 18 4.972 -10.816 -5.445 1.00 0.00 C ATOM 0 H VAL A 18 7.047 -9.306 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 18 5.673 -8.762 -6.984 1.00 0.00 H new ATOM 0 HB VAL A 18 4.689 -9.136 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.507 -9.691 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.973 -8.010 -5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.160 -9.268 -6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.263 -11.450 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.914 -11.024 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.981 -11.023 -5.089 1.00 0.00 H new ATOM 287 N VAL A 19 5.187 -6.439 -4.670 1.00 0.00 N ATOM 288 CA VAL A 19 4.763 -5.019 -4.517 1.00 0.00 C ATOM 289 C VAL A 19 5.711 -4.122 -5.314 1.00 0.00 C ATOM 290 O VAL A 19 5.379 -3.010 -5.670 1.00 0.00 O ATOM 291 CB VAL A 19 4.816 -4.629 -3.040 1.00 0.00 C ATOM 292 CG1 VAL A 19 4.329 -3.188 -2.875 1.00 0.00 C ATOM 293 CG2 VAL A 19 3.916 -5.568 -2.232 1.00 0.00 C ATOM 0 H VAL A 19 5.470 -6.903 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 19 3.745 -4.898 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 19 5.842 -4.709 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.367 -2.910 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.969 -2.519 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.303 -3.107 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.953 -5.291 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.890 -5.488 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.263 -6.595 -2.349 1.00 0.00 H new ATOM 303 N GLU A 20 6.892 -4.599 -5.592 1.00 0.00 N ATOM 304 CA GLU A 20 7.867 -3.778 -6.362 1.00 0.00 C ATOM 305 C GLU A 20 7.385 -3.621 -7.807 1.00 0.00 C ATOM 306 O GLU A 20 7.437 -2.548 -8.374 1.00 0.00 O ATOM 307 CB GLU A 20 9.233 -4.467 -6.350 1.00 0.00 C ATOM 308 CG GLU A 20 10.293 -3.491 -5.837 1.00 0.00 C ATOM 309 CD GLU A 20 10.111 -3.283 -4.332 1.00 0.00 C ATOM 310 OE1 GLU A 20 10.482 -4.171 -3.582 1.00 0.00 O ATOM 311 OE2 GLU A 20 9.606 -2.238 -3.955 1.00 0.00 O ATOM 0 H GLU A 20 7.225 -5.524 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 20 7.951 -2.793 -5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.200 -5.352 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.490 -4.805 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.290 -3.880 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.208 -2.538 -6.359 1.00 0.00 H new ATOM 318 N ALA A 21 6.917 -4.680 -8.410 1.00 0.00 N ATOM 319 CA ALA A 21 6.436 -4.580 -9.817 1.00 0.00 C ATOM 320 C ALA A 21 5.117 -3.808 -9.847 1.00 0.00 C ATOM 321 O ALA A 21 4.818 -3.107 -10.794 1.00 0.00 O ATOM 322 CB ALA A 21 6.216 -5.983 -10.388 1.00 0.00 C ATOM 0 H ALA A 21 6.847 -5.607 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 21 7.181 -4.058 -10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.864 -5.906 -11.417 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.155 -6.536 -10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.472 -6.507 -9.788 1.00 0.00 H new ATOM 328 N ILE A 22 4.327 -3.927 -8.817 1.00 0.00 N ATOM 329 CA ILE A 22 3.031 -3.196 -8.786 1.00 0.00 C ATOM 330 C ILE A 22 3.304 -1.692 -8.701 1.00 0.00 C ATOM 331 O ILE A 22 2.668 -0.895 -9.366 1.00 0.00 O ATOM 332 CB ILE A 22 2.224 -3.643 -7.565 1.00 0.00 C ATOM 333 CG1 ILE A 22 1.996 -5.157 -7.629 1.00 0.00 C ATOM 334 CG2 ILE A 22 0.873 -2.927 -7.556 1.00 0.00 C ATOM 335 CD1 ILE A 22 1.932 -5.726 -6.210 1.00 0.00 C ATOM 0 H ILE A 22 4.523 -4.499 -7.996 1.00 0.00 H new ATOM 0 HA ILE A 22 2.464 -3.413 -9.691 1.00 0.00 H new ATOM 0 HB ILE A 22 2.774 -3.395 -6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.069 -5.373 -8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.802 -5.633 -8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.298 -3.245 -6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.032 -1.850 -7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.324 -3.175 -8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.770 -6.803 -6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.870 -5.522 -5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.110 -5.259 -5.667 1.00 0.00 H new ATOM 347 N ILE A 23 4.249 -1.299 -7.892 1.00 0.00 N ATOM 348 CA ILE A 23 4.567 0.150 -7.768 1.00 0.00 C ATOM 349 C ILE A 23 5.015 0.686 -9.125 1.00 0.00 C ATOM 350 O ILE A 23 4.464 1.639 -9.638 1.00 0.00 O ATOM 351 CB ILE A 23 5.686 0.340 -6.744 1.00 0.00 C ATOM 352 CG1 ILE A 23 5.164 -0.016 -5.351 1.00 0.00 C ATOM 353 CG2 ILE A 23 6.150 1.796 -6.757 1.00 0.00 C ATOM 354 CD1 ILE A 23 6.335 -0.427 -4.456 1.00 0.00 C ATOM 0 H ILE A 23 4.814 -1.919 -7.312 1.00 0.00 H new ATOM 0 HA ILE A 23 3.681 0.693 -7.438 1.00 0.00 H new ATOM 0 HB ILE A 23 6.524 -0.309 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.643 0.838 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.441 -0.829 -5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.948 1.930 -6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.520 2.051 -7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.313 2.447 -6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.963 -0.681 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.836 -1.293 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.041 0.400 -4.378 1.00 0.00 H new ATOM 366 N GLN A 24 6.003 0.077 -9.720 1.00 0.00 N ATOM 367 CA GLN A 24 6.465 0.558 -11.049 1.00 0.00 C ATOM 368 C GLN A 24 5.285 0.517 -12.018 1.00 0.00 C ATOM 369 O GLN A 24 5.179 1.331 -12.914 1.00 0.00 O ATOM 370 CB GLN A 24 7.591 -0.342 -11.564 1.00 0.00 C ATOM 371 CG GLN A 24 8.944 0.306 -11.259 1.00 0.00 C ATOM 372 CD GLN A 24 10.071 -0.638 -11.683 1.00 0.00 C ATOM 373 OE1 GLN A 24 9.836 -1.616 -12.365 1.00 0.00 O ATOM 374 NE2 GLN A 24 11.295 -0.386 -11.305 1.00 0.00 N ATOM 0 H GLN A 24 6.507 -0.727 -9.346 1.00 0.00 H new ATOM 0 HA GLN A 24 6.843 1.577 -10.965 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.531 -1.323 -11.092 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.484 -0.497 -12.638 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.032 1.255 -11.788 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.022 0.526 -10.194 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.493 0.435 -10.733 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.053 -1.010 -11.582 1.00 0.00 H new ATOM 383 N ASP A 25 4.381 -0.411 -11.833 1.00 0.00 N ATOM 384 CA ASP A 25 3.199 -0.477 -12.735 1.00 0.00 C ATOM 385 C ASP A 25 2.649 0.937 -12.887 1.00 0.00 C ATOM 386 O ASP A 25 2.396 1.407 -13.980 1.00 0.00 O ATOM 387 CB ASP A 25 2.129 -1.382 -12.123 1.00 0.00 C ATOM 388 CG ASP A 25 1.196 -1.888 -13.225 1.00 0.00 C ATOM 389 OD1 ASP A 25 1.659 -2.641 -14.066 1.00 0.00 O ATOM 390 OD2 ASP A 25 0.035 -1.513 -13.210 1.00 0.00 O ATOM 0 H ASP A 25 4.412 -1.120 -11.101 1.00 0.00 H new ATOM 0 HA ASP A 25 3.484 -0.884 -13.705 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.598 -2.224 -11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.559 -0.833 -11.373 1.00 0.00 H new ATOM 395 N ASN A 26 2.490 1.630 -11.793 1.00 0.00 N ATOM 396 CA ASN A 26 1.990 3.026 -11.864 1.00 0.00 C ATOM 397 C ASN A 26 3.181 3.948 -12.131 1.00 0.00 C ATOM 398 O ASN A 26 4.222 3.798 -11.523 1.00 0.00 O ATOM 399 CB ASN A 26 1.337 3.401 -10.533 1.00 0.00 C ATOM 400 CG ASN A 26 0.390 2.282 -10.095 1.00 0.00 C ATOM 401 OD1 ASN A 26 -0.794 2.333 -10.362 1.00 0.00 O ATOM 402 ND2 ASN A 26 0.866 1.265 -9.429 1.00 0.00 N ATOM 0 H ASN A 26 2.686 1.286 -10.853 1.00 0.00 H new ATOM 0 HA ASN A 26 1.253 3.125 -12.661 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.102 3.562 -9.773 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.788 4.337 -10.636 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.244 0.513 -9.133 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.860 1.222 -9.205 1.00 0.00 H new ATOM 409 N PRO A 27 2.997 4.868 -13.038 1.00 0.00 N ATOM 410 CA PRO A 27 4.113 5.789 -13.349 1.00 0.00 C ATOM 411 C PRO A 27 4.139 6.944 -12.345 1.00 0.00 C ATOM 412 O PRO A 27 4.282 8.094 -12.713 1.00 0.00 O ATOM 413 CB PRO A 27 3.836 6.315 -14.762 1.00 0.00 C ATOM 414 CG PRO A 27 2.526 5.662 -15.254 1.00 0.00 C ATOM 415 CD PRO A 27 2.016 4.744 -14.136 1.00 0.00 C ATOM 0 HA PRO A 27 5.079 5.288 -13.290 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.744 7.401 -14.755 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.661 6.070 -15.431 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.784 6.424 -15.492 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.701 5.093 -16.167 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.021 5.043 -13.807 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.942 3.712 -14.480 1.00 0.00 H new ATOM 423 N HIS A 28 3.995 6.652 -11.080 1.00 0.00 N ATOM 424 CA HIS A 28 4.003 7.733 -10.062 1.00 0.00 C ATOM 425 C HIS A 28 4.517 7.185 -8.730 1.00 0.00 C ATOM 426 O HIS A 28 5.380 7.766 -8.102 1.00 0.00 O ATOM 427 CB HIS A 28 2.579 8.242 -9.880 1.00 0.00 C ATOM 428 CG HIS A 28 2.615 9.655 -9.367 1.00 0.00 C ATOM 429 ND1 HIS A 28 2.108 10.718 -10.096 1.00 0.00 N ATOM 430 CD2 HIS A 28 3.103 10.195 -8.203 1.00 0.00 C ATOM 431 CE1 HIS A 28 2.301 11.835 -9.370 1.00 0.00 C ATOM 432 NE2 HIS A 28 2.904 11.572 -8.207 1.00 0.00 N ATOM 0 H HIS A 28 3.872 5.709 -10.711 1.00 0.00 H new ATOM 0 HA HIS A 28 4.654 8.543 -10.390 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.043 8.201 -10.828 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.039 7.603 -9.181 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.570 9.636 -7.406 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.005 12.823 -9.689 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.163 12.238 -7.479 1.00 0.00 H new ATOM 440 N ALA A 29 3.988 6.074 -8.292 1.00 0.00 N ATOM 441 CA ALA A 29 4.438 5.488 -6.997 1.00 0.00 C ATOM 442 C ALA A 29 5.961 5.592 -6.885 1.00 0.00 C ATOM 443 O ALA A 29 6.679 5.414 -7.849 1.00 0.00 O ATOM 444 CB ALA A 29 4.019 4.019 -6.930 1.00 0.00 C ATOM 0 H ALA A 29 3.262 5.546 -8.777 1.00 0.00 H new ATOM 0 HA ALA A 29 3.979 6.035 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.348 3.590 -5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.934 3.946 -7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.476 3.472 -7.755 1.00 0.00 H new ATOM 450 N VAL A 30 6.460 5.879 -5.712 1.00 0.00 N ATOM 451 CA VAL A 30 7.937 5.995 -5.537 1.00 0.00 C ATOM 452 C VAL A 30 8.471 4.708 -4.907 1.00 0.00 C ATOM 453 O VAL A 30 7.773 3.719 -4.806 1.00 0.00 O ATOM 454 CB VAL A 30 8.260 7.180 -4.619 1.00 0.00 C ATOM 455 CG1 VAL A 30 9.589 7.808 -5.043 1.00 0.00 C ATOM 456 CG2 VAL A 30 7.150 8.231 -4.720 1.00 0.00 C ATOM 0 H VAL A 30 5.909 6.038 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 30 8.405 6.154 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 30 8.333 6.826 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.818 8.650 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.383 7.065 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.514 8.157 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.384 9.071 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.074 8.582 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.201 7.788 -4.417 1.00 0.00 H new ATOM 466 N VAL A 31 9.704 4.713 -4.483 1.00 0.00 N ATOM 467 CA VAL A 31 10.279 3.490 -3.860 1.00 0.00 C ATOM 468 C VAL A 31 11.620 3.830 -3.209 1.00 0.00 C ATOM 469 O VAL A 31 12.190 4.877 -3.442 1.00 0.00 O ATOM 470 CB VAL A 31 10.484 2.423 -4.936 1.00 0.00 C ATOM 471 CG1 VAL A 31 11.137 3.057 -6.165 1.00 0.00 C ATOM 472 CG2 VAL A 31 11.385 1.308 -4.399 1.00 0.00 C ATOM 0 H VAL A 31 10.337 5.511 -4.541 1.00 0.00 H new ATOM 0 HA VAL A 31 9.596 3.112 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 31 9.517 2.002 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.283 2.297 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.492 3.845 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.101 3.481 -5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.527 0.551 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.352 1.725 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.919 0.852 -3.525 1.00 0.00 H new ATOM 482 N GLN A 32 12.124 2.949 -2.394 1.00 0.00 N ATOM 483 CA GLN A 32 13.428 3.212 -1.723 1.00 0.00 C ATOM 484 C GLN A 32 14.199 1.899 -1.584 1.00 0.00 C ATOM 485 O GLN A 32 14.255 1.310 -0.523 1.00 0.00 O ATOM 486 CB GLN A 32 13.180 3.807 -0.336 1.00 0.00 C ATOM 487 CG GLN A 32 13.613 5.274 -0.327 1.00 0.00 C ATOM 488 CD GLN A 32 15.120 5.362 -0.570 1.00 0.00 C ATOM 489 OE1 GLN A 32 15.903 4.828 0.190 1.00 0.00 O ATOM 490 NE2 GLN A 32 15.563 6.020 -1.606 1.00 0.00 N ATOM 0 H GLN A 32 11.689 2.056 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 32 14.009 3.916 -2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.124 3.727 -0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 32 13.736 3.248 0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.077 5.827 -1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.361 5.733 0.629 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.906 6.469 -2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.566 6.086 -1.777 1.00 0.00 H new ATOM 499 N HIS A 33 14.793 1.433 -2.649 1.00 0.00 N ATOM 500 CA HIS A 33 15.557 0.157 -2.578 1.00 0.00 C ATOM 501 C HIS A 33 16.494 0.188 -1.369 1.00 0.00 C ATOM 502 O HIS A 33 17.529 0.823 -1.391 1.00 0.00 O ATOM 503 CB HIS A 33 16.382 -0.011 -3.853 1.00 0.00 C ATOM 504 CG HIS A 33 17.060 1.290 -4.185 1.00 0.00 C ATOM 505 ND1 HIS A 33 17.637 1.525 -5.422 1.00 0.00 N ATOM 506 CD2 HIS A 33 17.262 2.433 -3.452 1.00 0.00 C ATOM 507 CE1 HIS A 33 18.156 2.766 -5.397 1.00 0.00 C ATOM 508 NE2 HIS A 33 17.955 3.365 -4.220 1.00 0.00 N ATOM 0 H HIS A 33 14.782 1.882 -3.565 1.00 0.00 H new ATOM 0 HA HIS A 33 14.862 -0.677 -2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 33 17.125 -0.797 -3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 33 15.739 -0.319 -4.677 1.00 0.00 H new ATOM 0 HD2 HIS A 33 16.933 2.586 -2.435 1.00 0.00 H new ATOM 0 HE1 HIS A 33 18.673 3.223 -6.228 1.00 0.00 H new ATOM 0 HE2 HIS A 33 18.246 4.303 -3.944 1.00 0.00 H new ATOM 516 N HIS A 34 16.141 -0.494 -0.315 1.00 0.00 N ATOM 517 CA HIS A 34 17.017 -0.503 0.890 1.00 0.00 C ATOM 518 C HIS A 34 17.747 -1.843 0.976 1.00 0.00 C ATOM 519 O HIS A 34 17.588 -2.694 0.124 1.00 0.00 O ATOM 520 CB HIS A 34 16.164 -0.307 2.144 1.00 0.00 C ATOM 521 CG HIS A 34 16.463 1.037 2.746 1.00 0.00 C ATOM 522 ND1 HIS A 34 16.215 2.221 2.069 1.00 0.00 N ATOM 523 CD2 HIS A 34 16.992 1.403 3.959 1.00 0.00 C ATOM 524 CE1 HIS A 34 16.591 3.233 2.872 1.00 0.00 C ATOM 525 NE2 HIS A 34 17.071 2.791 4.036 1.00 0.00 N ATOM 0 H HIS A 34 15.286 -1.044 -0.236 1.00 0.00 H new ATOM 0 HA HIS A 34 17.744 0.305 0.817 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.106 -0.378 1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.373 -1.096 2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 34 17.300 0.718 4.735 1.00 0.00 H new ATOM 0 HE1 HIS A 34 16.514 4.277 2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 34 17.421 3.350 4.815 1.00 0.00 H new ATOM 533 N PRO A 35 18.528 -1.986 2.012 1.00 0.00 N ATOM 534 CA PRO A 35 19.272 -3.252 2.178 1.00 0.00 C ATOM 535 C PRO A 35 18.301 -4.399 2.469 1.00 0.00 C ATOM 536 O PRO A 35 18.028 -5.224 1.619 1.00 0.00 O ATOM 537 CB PRO A 35 20.209 -3.029 3.371 1.00 0.00 C ATOM 538 CG PRO A 35 19.990 -1.586 3.873 1.00 0.00 C ATOM 539 CD PRO A 35 18.913 -0.944 2.987 1.00 0.00 C ATOM 0 HA PRO A 35 19.826 -3.518 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 35 19.997 -3.746 4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 35 21.247 -3.178 3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.676 -1.587 4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.918 -1.017 3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.056 -0.626 3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 35 19.298 -0.058 2.482 1.00 0.00 H new ATOM 547 N ALA A 36 17.778 -4.459 3.663 1.00 0.00 N ATOM 548 CA ALA A 36 16.828 -5.555 4.005 1.00 0.00 C ATOM 549 C ALA A 36 15.472 -4.962 4.392 1.00 0.00 C ATOM 550 O ALA A 36 14.561 -5.671 4.770 1.00 0.00 O ATOM 551 CB ALA A 36 17.383 -6.361 5.181 1.00 0.00 C ATOM 0 H ALA A 36 17.967 -3.797 4.416 1.00 0.00 H new ATOM 0 HA ALA A 36 16.704 -6.206 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.689 -7.163 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.347 -6.788 4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.509 -5.707 6.044 1.00 0.00 H new ATOM 557 N MET A 37 15.328 -3.669 4.304 1.00 0.00 N ATOM 558 CA MET A 37 14.028 -3.041 4.671 1.00 0.00 C ATOM 559 C MET A 37 13.369 -2.466 3.415 1.00 0.00 C ATOM 560 O MET A 37 14.024 -2.192 2.429 1.00 0.00 O ATOM 561 CB MET A 37 14.273 -1.922 5.685 1.00 0.00 C ATOM 562 CG MET A 37 15.082 -2.474 6.861 1.00 0.00 C ATOM 563 SD MET A 37 15.337 -1.169 8.088 1.00 0.00 S ATOM 564 CE MET A 37 15.466 -2.247 9.537 1.00 0.00 C ATOM 0 H MET A 37 16.053 -3.021 3.995 1.00 0.00 H new ATOM 0 HA MET A 37 13.370 -3.790 5.112 1.00 0.00 H new ATOM 0 HB2 MET A 37 14.810 -1.099 5.213 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.323 -1.521 6.038 1.00 0.00 H new ATOM 0 HG2 MET A 37 14.557 -3.315 7.314 1.00 0.00 H new ATOM 0 HG3 MET A 37 16.043 -2.850 6.510 1.00 0.00 H new ATOM 0 HE1 MET A 37 15.629 -1.641 10.428 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.544 -2.817 9.649 1.00 0.00 H new ATOM 0 HE3 MET A 37 16.303 -2.933 9.407 1.00 0.00 H new ATOM 574 N ILE A 38 12.076 -2.288 3.439 1.00 0.00 N ATOM 575 CA ILE A 38 11.380 -1.739 2.242 1.00 0.00 C ATOM 576 C ILE A 38 10.394 -0.650 2.674 1.00 0.00 C ATOM 577 O ILE A 38 9.256 -0.920 2.997 1.00 0.00 O ATOM 578 CB ILE A 38 10.630 -2.873 1.542 1.00 0.00 C ATOM 579 CG1 ILE A 38 9.824 -3.666 2.575 1.00 0.00 C ATOM 580 CG2 ILE A 38 11.641 -3.805 0.870 1.00 0.00 C ATOM 581 CD1 ILE A 38 9.055 -4.787 1.875 1.00 0.00 C ATOM 0 H ILE A 38 11.473 -2.499 4.234 1.00 0.00 H new ATOM 0 HA ILE A 38 12.108 -1.304 1.557 1.00 0.00 H new ATOM 0 HB ILE A 38 9.955 -2.457 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.491 -4.085 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.130 -3.005 3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.112 -4.616 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.222 -3.244 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.310 -4.220 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.482 -5.350 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.376 -4.358 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.758 -5.454 1.375 1.00 0.00 H new ATOM 593 N ARG A 39 10.826 0.582 2.688 1.00 0.00 N ATOM 594 CA ARG A 39 9.917 1.686 3.108 1.00 0.00 C ATOM 595 C ARG A 39 9.087 2.167 1.914 1.00 0.00 C ATOM 596 O ARG A 39 9.417 1.914 0.773 1.00 0.00 O ATOM 597 CB ARG A 39 10.749 2.848 3.655 1.00 0.00 C ATOM 598 CG ARG A 39 10.339 3.134 5.100 1.00 0.00 C ATOM 599 CD ARG A 39 11.116 4.344 5.623 1.00 0.00 C ATOM 600 NE ARG A 39 10.839 5.526 4.759 1.00 0.00 N ATOM 601 CZ ARG A 39 11.149 6.727 5.171 1.00 0.00 C ATOM 602 NH1 ARG A 39 11.701 6.897 6.342 1.00 0.00 N ATOM 603 NH2 ARG A 39 10.907 7.761 4.411 1.00 0.00 N ATOM 0 H ARG A 39 11.769 0.871 2.427 1.00 0.00 H new ATOM 0 HA ARG A 39 9.244 1.320 3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.810 2.603 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.600 3.736 3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.267 3.326 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.538 2.263 5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.827 4.557 6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.184 4.128 5.630 1.00 0.00 H new ATOM 0 HE ARG A 39 10.407 5.398 3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.891 6.091 6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.942 7.835 6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.476 7.631 3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.149 8.698 4.733 1.00 0.00 H new ATOM 617 N ILE A 40 8.011 2.864 2.173 1.00 0.00 N ATOM 618 CA ILE A 40 7.156 3.366 1.060 1.00 0.00 C ATOM 619 C ILE A 40 6.459 4.660 1.494 1.00 0.00 C ATOM 620 O ILE A 40 6.384 4.965 2.666 1.00 0.00 O ATOM 621 CB ILE A 40 6.104 2.312 0.706 1.00 0.00 C ATOM 622 CG1 ILE A 40 6.792 1.091 0.090 1.00 0.00 C ATOM 623 CG2 ILE A 40 5.109 2.897 -0.299 1.00 0.00 C ATOM 624 CD1 ILE A 40 7.094 0.067 1.188 1.00 0.00 C ATOM 0 H ILE A 40 7.688 3.107 3.110 1.00 0.00 H new ATOM 0 HA ILE A 40 7.778 3.564 0.187 1.00 0.00 H new ATOM 0 HB ILE A 40 5.573 2.014 1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.152 0.645 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.715 1.392 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.361 2.145 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.618 3.766 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.639 3.197 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.584 -0.803 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.750 0.516 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.163 -0.242 1.663 1.00 0.00 H new ATOM 636 N GLU A 41 5.962 5.434 0.562 1.00 0.00 N ATOM 637 CA GLU A 41 5.289 6.702 0.934 1.00 0.00 C ATOM 638 C GLU A 41 4.416 7.201 -0.227 1.00 0.00 C ATOM 639 O GLU A 41 4.638 6.867 -1.374 1.00 0.00 O ATOM 640 CB GLU A 41 6.354 7.747 1.243 1.00 0.00 C ATOM 641 CG GLU A 41 7.596 7.498 0.384 1.00 0.00 C ATOM 642 CD GLU A 41 8.177 8.838 -0.070 1.00 0.00 C ATOM 643 OE1 GLU A 41 7.495 9.838 0.080 1.00 0.00 O ATOM 644 OE2 GLU A 41 9.295 8.842 -0.560 1.00 0.00 O ATOM 0 H GLU A 41 5.996 5.237 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 41 4.656 6.533 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.962 8.746 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.619 7.707 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.340 6.941 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.336 6.889 -0.482 1.00 0.00 H new ATOM 651 N ALA A 42 3.430 8.010 0.069 1.00 0.00 N ATOM 652 CA ALA A 42 2.542 8.550 -1.008 1.00 0.00 C ATOM 653 C ALA A 42 2.447 10.073 -0.862 1.00 0.00 C ATOM 654 O ALA A 42 3.016 10.647 0.045 1.00 0.00 O ATOM 655 CB ALA A 42 1.145 7.939 -0.880 1.00 0.00 C ATOM 0 H ALA A 42 3.200 8.321 1.013 1.00 0.00 H new ATOM 0 HA ALA A 42 2.956 8.297 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.501 8.335 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.212 6.855 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.725 8.191 0.094 1.00 0.00 H new ATOM 661 N GLU A 43 1.745 10.740 -1.746 1.00 0.00 N ATOM 662 CA GLU A 43 1.648 12.227 -1.635 1.00 0.00 C ATOM 663 C GLU A 43 0.420 12.765 -2.383 1.00 0.00 C ATOM 664 O GLU A 43 0.556 13.452 -3.375 1.00 0.00 O ATOM 665 CB GLU A 43 2.909 12.853 -2.233 1.00 0.00 C ATOM 666 CG GLU A 43 3.309 12.095 -3.501 1.00 0.00 C ATOM 667 CD GLU A 43 4.193 12.990 -4.373 1.00 0.00 C ATOM 668 OE1 GLU A 43 4.335 14.154 -4.038 1.00 0.00 O ATOM 669 OE2 GLU A 43 4.713 12.496 -5.359 1.00 0.00 O ATOM 0 H GLU A 43 1.241 10.325 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 43 1.549 12.487 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.730 13.903 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.722 12.822 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.844 11.182 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.419 11.795 -4.054 1.00 0.00 H new ATOM 676 N LYS A 44 -0.776 12.492 -1.912 1.00 0.00 N ATOM 677 CA LYS A 44 -1.981 13.033 -2.614 1.00 0.00 C ATOM 678 C LYS A 44 -3.264 12.399 -2.062 1.00 0.00 C ATOM 679 O LYS A 44 -3.330 11.999 -0.916 1.00 0.00 O ATOM 680 CB LYS A 44 -1.869 12.740 -4.114 1.00 0.00 C ATOM 681 CG LYS A 44 -2.071 14.036 -4.902 1.00 0.00 C ATOM 682 CD LYS A 44 -2.364 13.705 -6.366 1.00 0.00 C ATOM 683 CE LYS A 44 -1.771 14.793 -7.264 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.313 14.543 -7.451 1.00 0.00 N ATOM 0 H LYS A 44 -0.966 11.927 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.028 14.109 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.892 12.313 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.616 12.002 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.895 14.608 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.180 14.660 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.939 12.735 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.440 13.633 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.277 14.798 -8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.928 15.774 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.090 15.282 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.163 14.559 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.174 13.613 -7.896 1.00 0.00 H new ATOM 698 N ARG A 45 -4.288 12.314 -2.876 1.00 0.00 N ATOM 699 CA ARG A 45 -5.575 11.719 -2.415 1.00 0.00 C ATOM 700 C ARG A 45 -5.967 10.593 -3.370 1.00 0.00 C ATOM 701 O ARG A 45 -5.869 10.722 -4.574 1.00 0.00 O ATOM 702 CB ARG A 45 -6.666 12.790 -2.419 1.00 0.00 C ATOM 703 CG ARG A 45 -6.544 13.648 -1.160 1.00 0.00 C ATOM 704 CD ARG A 45 -6.993 15.076 -1.472 1.00 0.00 C ATOM 705 NE ARG A 45 -8.481 15.125 -1.543 1.00 0.00 N ATOM 706 CZ ARG A 45 -9.102 16.272 -1.498 1.00 0.00 C ATOM 707 NH1 ARG A 45 -8.422 17.382 -1.388 1.00 0.00 N ATOM 708 NH2 ARG A 45 -10.405 16.310 -1.564 1.00 0.00 N ATOM 0 H ARG A 45 -4.285 12.634 -3.845 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.460 11.328 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.574 13.414 -3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.650 12.322 -2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.156 13.229 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.513 13.649 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.632 15.758 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.562 15.406 -2.417 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.015 14.260 -1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.404 17.353 -1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.909 18.277 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.937 15.444 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.892 17.206 -1.529 1.00 0.00 H new ATOM 722 N LEU A 46 -6.385 9.479 -2.837 1.00 0.00 N ATOM 723 CA LEU A 46 -6.758 8.321 -3.696 1.00 0.00 C ATOM 724 C LEU A 46 -8.163 7.847 -3.318 1.00 0.00 C ATOM 725 O LEU A 46 -8.667 8.166 -2.258 1.00 0.00 O ATOM 726 CB LEU A 46 -5.761 7.168 -3.474 1.00 0.00 C ATOM 727 CG LEU A 46 -4.513 7.667 -2.728 1.00 0.00 C ATOM 728 CD1 LEU A 46 -3.499 6.533 -2.598 1.00 0.00 C ATOM 729 CD2 LEU A 46 -3.870 8.816 -3.501 1.00 0.00 C ATOM 0 H LEU A 46 -6.485 9.320 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.736 8.625 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.239 6.372 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.471 6.741 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.812 8.011 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.617 6.893 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.945 5.708 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.211 6.187 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.986 9.165 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.581 8.470 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.583 9.635 -3.596 1.00 0.00 H new ATOM 741 N GLU A 47 -8.804 7.086 -4.166 1.00 0.00 N ATOM 742 CA GLU A 47 -10.173 6.603 -3.826 1.00 0.00 C ATOM 743 C GLU A 47 -10.696 5.658 -4.908 1.00 0.00 C ATOM 744 O GLU A 47 -10.248 5.671 -6.037 1.00 0.00 O ATOM 745 CB GLU A 47 -11.119 7.800 -3.699 1.00 0.00 C ATOM 746 CG GLU A 47 -11.348 8.421 -5.078 1.00 0.00 C ATOM 747 CD GLU A 47 -11.235 9.943 -4.978 1.00 0.00 C ATOM 748 OE1 GLU A 47 -10.123 10.440 -5.051 1.00 0.00 O ATOM 749 OE2 GLU A 47 -12.261 10.586 -4.829 1.00 0.00 O ATOM 0 H GLU A 47 -8.443 6.781 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.127 6.062 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.069 7.482 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.695 8.541 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.615 8.037 -5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.332 8.143 -5.455 1.00 0.00 H new ATOM 756 N ILE A 48 -11.657 4.844 -4.560 1.00 0.00 N ATOM 757 CA ILE A 48 -12.242 3.892 -5.547 1.00 0.00 C ATOM 758 C ILE A 48 -13.690 3.597 -5.150 1.00 0.00 C ATOM 759 O ILE A 48 -14.070 3.736 -4.003 1.00 0.00 O ATOM 760 CB ILE A 48 -11.444 2.581 -5.572 1.00 0.00 C ATOM 761 CG1 ILE A 48 -10.089 2.768 -4.883 1.00 0.00 C ATOM 762 CG2 ILE A 48 -11.212 2.161 -7.022 1.00 0.00 C ATOM 763 CD1 ILE A 48 -9.455 1.399 -4.628 1.00 0.00 C ATOM 0 H ILE A 48 -12.065 4.798 -3.626 1.00 0.00 H new ATOM 0 HA ILE A 48 -12.205 4.340 -6.540 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.009 1.814 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -9.432 3.375 -5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.218 3.302 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -10.645 1.230 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -12.172 2.014 -7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.652 2.939 -7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.490 1.530 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.110 0.808 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.312 0.882 -5.577 1.00 0.00 H new ATOM 775 N ARG A 49 -14.506 3.202 -6.089 1.00 0.00 N ATOM 776 CA ARG A 49 -15.930 2.915 -5.761 1.00 0.00 C ATOM 777 C ARG A 49 -16.143 1.398 -5.610 1.00 0.00 C ATOM 778 O ARG A 49 -15.646 0.785 -4.685 1.00 0.00 O ATOM 779 CB ARG A 49 -16.814 3.469 -6.878 1.00 0.00 C ATOM 780 CG ARG A 49 -18.284 3.375 -6.464 1.00 0.00 C ATOM 781 CD ARG A 49 -19.112 4.346 -7.306 1.00 0.00 C ATOM 782 NE ARG A 49 -19.291 3.789 -8.676 1.00 0.00 N ATOM 783 CZ ARG A 49 -20.199 4.286 -9.473 1.00 0.00 C ATOM 784 NH1 ARG A 49 -20.955 5.273 -9.074 1.00 0.00 N ATOM 785 NH2 ARG A 49 -20.350 3.796 -10.673 1.00 0.00 N ATOM 0 H ARG A 49 -14.248 3.066 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.195 3.391 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.549 4.506 -7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -16.648 2.909 -7.798 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -18.647 2.357 -6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -18.391 3.612 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -20.083 4.511 -6.840 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.614 5.314 -7.358 1.00 0.00 H new ATOM 0 HE ARG A 49 -18.703 3.018 -8.993 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -20.838 5.659 -8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -21.663 5.658 -9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -19.760 3.026 -10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -21.059 4.183 -11.296 1.00 0.00 H new ATOM 799 N ARG A 50 -16.877 0.786 -6.509 1.00 0.00 N ATOM 800 CA ARG A 50 -17.124 -0.682 -6.425 1.00 0.00 C ATOM 801 C ARG A 50 -15.805 -1.455 -6.524 1.00 0.00 C ATOM 802 O ARG A 50 -15.779 -2.659 -6.378 1.00 0.00 O ATOM 803 CB ARG A 50 -18.043 -1.105 -7.574 1.00 0.00 C ATOM 804 CG ARG A 50 -19.459 -1.336 -7.043 1.00 0.00 C ATOM 805 CD ARG A 50 -19.945 -0.083 -6.314 1.00 0.00 C ATOM 806 NE ARG A 50 -20.804 -0.481 -5.163 1.00 0.00 N ATOM 807 CZ ARG A 50 -21.077 0.380 -4.220 1.00 0.00 C ATOM 808 NH1 ARG A 50 -20.589 1.590 -4.273 1.00 0.00 N ATOM 809 NH2 ARG A 50 -21.837 0.029 -3.218 1.00 0.00 N ATOM 0 H ARG A 50 -17.318 1.249 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.593 -0.906 -5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -18.055 -0.335 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.665 -2.016 -8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -20.132 -1.574 -7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.469 -2.190 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.094 0.499 -5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.506 0.554 -6.998 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.179 -1.428 -5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.992 1.866 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.805 2.260 -3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -22.217 -0.917 -3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -22.051 0.700 -2.481 1.00 0.00 H new ATOM 823 N GLU A 51 -14.707 -0.788 -6.766 1.00 0.00 N ATOM 824 CA GLU A 51 -13.409 -1.512 -6.857 1.00 0.00 C ATOM 825 C GLU A 51 -13.195 -2.334 -5.581 1.00 0.00 C ATOM 826 O GLU A 51 -12.347 -3.202 -5.523 1.00 0.00 O ATOM 827 CB GLU A 51 -12.268 -0.507 -7.015 1.00 0.00 C ATOM 828 CG GLU A 51 -10.953 -1.257 -7.241 1.00 0.00 C ATOM 829 CD GLU A 51 -10.279 -0.736 -8.512 1.00 0.00 C ATOM 830 OE1 GLU A 51 -10.592 -1.245 -9.576 1.00 0.00 O ATOM 831 OE2 GLU A 51 -9.462 0.162 -8.399 1.00 0.00 O ATOM 0 H GLU A 51 -14.655 0.221 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.425 -2.176 -7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.469 0.158 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.194 0.118 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.293 -1.121 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.143 -2.327 -7.330 1.00 0.00 H new ATOM 838 N THR A 52 -13.949 -2.070 -4.550 1.00 0.00 N ATOM 839 CA THR A 52 -13.767 -2.855 -3.297 1.00 0.00 C ATOM 840 C THR A 52 -13.975 -4.342 -3.592 1.00 0.00 C ATOM 841 O THR A 52 -13.267 -5.188 -3.081 1.00 0.00 O ATOM 842 CB THR A 52 -14.774 -2.391 -2.244 1.00 0.00 C ATOM 843 OG1 THR A 52 -14.948 -0.985 -2.345 1.00 0.00 O ATOM 844 CG2 THR A 52 -14.258 -2.746 -0.849 1.00 0.00 C ATOM 0 H THR A 52 -14.675 -1.354 -4.520 1.00 0.00 H new ATOM 0 HA THR A 52 -12.757 -2.699 -2.917 1.00 0.00 H new ATOM 0 HB THR A 52 -15.730 -2.888 -2.411 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.687 -0.790 -2.959 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.977 -2.415 -0.100 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.127 -3.825 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.302 -2.251 -0.678 1.00 0.00 H new ATOM 852 N VAL A 53 -14.929 -4.675 -4.419 1.00 0.00 N ATOM 853 CA VAL A 53 -15.147 -6.110 -4.746 1.00 0.00 C ATOM 854 C VAL A 53 -13.817 -6.696 -5.209 1.00 0.00 C ATOM 855 O VAL A 53 -13.511 -7.849 -4.973 1.00 0.00 O ATOM 856 CB VAL A 53 -16.181 -6.236 -5.867 1.00 0.00 C ATOM 857 CG1 VAL A 53 -16.188 -7.672 -6.395 1.00 0.00 C ATOM 858 CG2 VAL A 53 -17.568 -5.887 -5.324 1.00 0.00 C ATOM 0 H VAL A 53 -15.562 -4.020 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.515 -6.644 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.924 -5.552 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -16.924 -7.762 -7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.200 -7.922 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.444 -8.356 -5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.305 -5.977 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.825 -6.571 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.564 -4.864 -4.947 1.00 0.00 H new ATOM 868 N GLU A 54 -13.009 -5.893 -5.848 1.00 0.00 N ATOM 869 CA GLU A 54 -11.684 -6.390 -6.304 1.00 0.00 C ATOM 870 C GLU A 54 -10.844 -6.659 -5.061 1.00 0.00 C ATOM 871 O GLU A 54 -10.142 -7.646 -4.969 1.00 0.00 O ATOM 872 CB GLU A 54 -11.004 -5.334 -7.190 1.00 0.00 C ATOM 873 CG GLU A 54 -9.490 -5.567 -7.218 1.00 0.00 C ATOM 874 CD GLU A 54 -8.992 -5.522 -8.664 1.00 0.00 C ATOM 875 OE1 GLU A 54 -9.187 -4.503 -9.305 1.00 0.00 O ATOM 876 OE2 GLU A 54 -8.423 -6.507 -9.104 1.00 0.00 O ATOM 0 H GLU A 54 -13.210 -4.918 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.794 -7.301 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.406 -5.383 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.219 -4.335 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.983 -4.806 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.252 -6.532 -6.770 1.00 0.00 H new ATOM 883 N GLU A 55 -10.928 -5.797 -4.089 1.00 0.00 N ATOM 884 CA GLU A 55 -10.153 -6.029 -2.845 1.00 0.00 C ATOM 885 C GLU A 55 -10.419 -7.462 -2.384 1.00 0.00 C ATOM 886 O GLU A 55 -9.529 -8.287 -2.357 1.00 0.00 O ATOM 887 CB GLU A 55 -10.603 -5.041 -1.765 1.00 0.00 C ATOM 888 CG GLU A 55 -9.964 -5.417 -0.427 1.00 0.00 C ATOM 889 CD GLU A 55 -9.386 -4.164 0.234 1.00 0.00 C ATOM 890 OE1 GLU A 55 -8.291 -3.774 -0.137 1.00 0.00 O ATOM 891 OE2 GLU A 55 -10.049 -3.614 1.098 1.00 0.00 O ATOM 0 H GLU A 55 -11.495 -4.949 -4.103 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.088 -5.883 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.317 -4.027 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.689 -5.053 -1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.706 -5.876 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.177 -6.155 -0.583 1.00 0.00 H new ATOM 898 N ASN A 56 -11.648 -7.766 -2.048 1.00 0.00 N ATOM 899 CA ASN A 56 -11.989 -9.155 -1.608 1.00 0.00 C ATOM 900 C ASN A 56 -11.412 -10.151 -2.594 1.00 0.00 C ATOM 901 O ASN A 56 -11.028 -11.232 -2.209 1.00 0.00 O ATOM 902 CB ASN A 56 -13.509 -9.316 -1.537 1.00 0.00 C ATOM 903 CG ASN A 56 -13.888 -10.006 -0.226 1.00 0.00 C ATOM 904 OD1 ASN A 56 -14.837 -9.618 0.426 1.00 0.00 O ATOM 905 ND2 ASN A 56 -13.180 -11.020 0.191 1.00 0.00 N ATOM 0 H ASN A 56 -12.431 -7.112 -2.059 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.566 -9.337 -0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.992 -8.341 -1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.863 -9.903 -2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.423 -11.487 1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.383 -11.345 -0.357 1.00 0.00 H new ATOM 912 N LEU A 57 -11.310 -9.806 -3.852 1.00 0.00 N ATOM 913 CA LEU A 57 -10.703 -10.772 -4.806 1.00 0.00 C ATOM 914 C LEU A 57 -9.363 -11.191 -4.215 1.00 0.00 C ATOM 915 O LEU A 57 -9.138 -12.347 -3.915 1.00 0.00 O ATOM 916 CB LEU A 57 -10.486 -10.119 -6.170 1.00 0.00 C ATOM 917 CG LEU A 57 -9.977 -11.171 -7.154 1.00 0.00 C ATOM 918 CD1 LEU A 57 -11.163 -11.905 -7.780 1.00 0.00 C ATOM 919 CD2 LEU A 57 -9.163 -10.484 -8.250 1.00 0.00 C ATOM 0 H LEU A 57 -11.614 -8.917 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.359 -11.630 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.419 -9.686 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.767 -9.304 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.348 -11.889 -6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.798 -12.655 -8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.743 -12.393 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.795 -11.191 -8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.798 -11.231 -8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.793 -9.767 -8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.317 -9.963 -7.802 1.00 0.00 H new ATOM 931 N GLY A 58 -8.487 -10.247 -3.990 1.00 0.00 N ATOM 932 CA GLY A 58 -7.188 -10.594 -3.356 1.00 0.00 C ATOM 933 C GLY A 58 -7.511 -11.346 -2.068 1.00 0.00 C ATOM 934 O GLY A 58 -6.714 -12.116 -1.572 1.00 0.00 O ATOM 0 H GLY A 58 -8.616 -9.261 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.585 -11.211 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.609 -9.695 -3.144 1.00 0.00 H new ATOM 938 N ARG A 59 -8.705 -11.089 -1.550 1.00 0.00 N ATOM 939 CA ARG A 59 -9.239 -11.700 -0.299 1.00 0.00 C ATOM 940 C ARG A 59 -9.313 -10.635 0.760 1.00 0.00 C ATOM 941 O ARG A 59 -9.042 -10.876 1.919 1.00 0.00 O ATOM 942 CB ARG A 59 -8.311 -12.765 0.116 1.00 0.00 C ATOM 943 CG ARG A 59 -8.874 -13.578 1.285 1.00 0.00 C ATOM 944 CD ARG A 59 -7.722 -14.221 2.057 1.00 0.00 C ATOM 945 NE ARG A 59 -7.623 -15.676 1.708 1.00 0.00 N ATOM 946 CZ ARG A 59 -8.670 -16.461 1.750 1.00 0.00 C ATOM 947 NH1 ARG A 59 -9.800 -16.043 2.259 1.00 0.00 N ATOM 948 NH2 ARG A 59 -8.571 -17.694 1.329 1.00 0.00 N ATOM 0 H ARG A 59 -9.359 -10.437 -1.984 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.234 -12.118 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.115 -13.427 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.356 -12.325 0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.454 -12.933 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.552 -14.347 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.786 -13.716 1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.882 -14.105 3.129 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.720 -16.063 1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.873 -15.095 2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.608 -16.665 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.681 -18.040 0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.383 -18.310 1.359 1.00 0.00 H new ATOM 962 N ALA A 60 -9.620 -9.435 0.364 1.00 0.00 N ATOM 963 CA ALA A 60 -9.630 -8.349 1.350 1.00 0.00 C ATOM 964 C ALA A 60 -8.195 -8.299 1.797 1.00 0.00 C ATOM 965 O ALA A 60 -7.790 -9.106 2.596 1.00 0.00 O ATOM 966 CB ALA A 60 -10.550 -8.696 2.525 1.00 0.00 C ATOM 0 H ALA A 60 -9.861 -9.170 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.996 -7.402 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.544 -7.878 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.565 -8.850 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.196 -9.607 3.007 1.00 0.00 H new ATOM 972 N TRP A 61 -7.420 -7.415 1.214 1.00 0.00 N ATOM 973 CA TRP A 61 -5.943 -7.353 1.498 1.00 0.00 C ATOM 974 C TRP A 61 -5.654 -8.048 2.823 1.00 0.00 C ATOM 975 O TRP A 61 -5.601 -7.461 3.886 1.00 0.00 O ATOM 976 CB TRP A 61 -5.518 -5.888 1.546 1.00 0.00 C ATOM 977 CG TRP A 61 -4.129 -5.774 2.079 1.00 0.00 C ATOM 978 CD1 TRP A 61 -3.808 -5.682 3.386 1.00 0.00 C ATOM 979 CD2 TRP A 61 -2.875 -5.728 1.342 1.00 0.00 C ATOM 980 NE1 TRP A 61 -2.432 -5.580 3.502 1.00 0.00 N ATOM 981 CE2 TRP A 61 -1.813 -5.606 2.267 1.00 0.00 C ATOM 982 CE3 TRP A 61 -2.560 -5.782 -0.028 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -0.483 -5.537 1.848 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -1.224 -5.713 -0.453 1.00 0.00 C ATOM 985 CH2 TRP A 61 -0.188 -5.591 0.483 1.00 0.00 C ATOM 0 H TRP A 61 -7.750 -6.722 0.543 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.379 -7.861 0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -5.569 -5.454 0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.205 -5.322 2.176 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -4.509 -5.687 4.207 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.936 -5.496 4.390 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.351 -5.877 -0.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.312 -5.443 2.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.993 -5.754 -1.507 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.838 -5.539 0.150 1.00 0.00 H new ATOM 996 N ASP A 62 -5.549 -9.352 2.716 1.00 0.00 N ATOM 997 CA ASP A 62 -5.351 -10.236 3.886 1.00 0.00 C ATOM 998 C ASP A 62 -3.931 -10.802 3.871 1.00 0.00 C ATOM 999 O ASP A 62 -3.719 -11.972 3.618 1.00 0.00 O ATOM 1000 CB ASP A 62 -6.375 -11.382 3.775 1.00 0.00 C ATOM 1001 CG ASP A 62 -6.220 -12.329 4.967 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -6.842 -12.074 5.985 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -5.484 -13.293 4.840 1.00 0.00 O ATOM 0 H ASP A 62 -5.596 -9.848 1.826 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.490 -9.685 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.387 -10.977 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.226 -11.927 2.843 1.00 0.00 H new ATOM 1008 N VAL A 63 -2.956 -9.979 4.137 1.00 0.00 N ATOM 1009 CA VAL A 63 -1.547 -10.463 4.137 1.00 0.00 C ATOM 1010 C VAL A 63 -1.192 -11.023 5.514 1.00 0.00 C ATOM 1011 O VAL A 63 -0.057 -11.359 5.781 1.00 0.00 O ATOM 1012 CB VAL A 63 -0.618 -9.298 3.818 1.00 0.00 C ATOM 1013 CG1 VAL A 63 0.695 -9.830 3.244 1.00 0.00 C ATOM 1014 CG2 VAL A 63 -1.288 -8.385 2.792 1.00 0.00 C ATOM 0 H VAL A 63 -3.074 -8.990 4.355 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.434 -11.246 3.388 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.412 -8.737 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.358 -8.995 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.173 -10.484 3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.492 -10.391 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.626 -7.550 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.492 -8.949 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.224 -8.004 3.200 1.00 0.00 H new ATOM 1024 N GLN A 64 -2.152 -11.117 6.391 1.00 0.00 N ATOM 1025 CA GLN A 64 -1.870 -11.651 7.754 1.00 0.00 C ATOM 1026 C GLN A 64 -0.932 -12.854 7.650 1.00 0.00 C ATOM 1027 O GLN A 64 -0.098 -13.076 8.501 1.00 0.00 O ATOM 1028 CB GLN A 64 -3.181 -12.079 8.416 1.00 0.00 C ATOM 1029 CG GLN A 64 -3.729 -10.922 9.255 1.00 0.00 C ATOM 1030 CD GLN A 64 -3.810 -9.661 8.393 1.00 0.00 C ATOM 1031 OE1 GLN A 64 -4.824 -9.396 7.778 1.00 0.00 O ATOM 1032 NE2 GLN A 64 -2.776 -8.868 8.320 1.00 0.00 N ATOM 0 H GLN A 64 -3.121 -10.847 6.223 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.396 -10.875 8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.907 -12.368 7.656 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.015 -12.953 9.046 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.716 -11.175 9.642 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.084 -10.746 10.116 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.925 -9.091 8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.819 -8.026 7.747 1.00 0.00 H new ATOM 1041 N GLU A 65 -1.052 -13.630 6.608 1.00 0.00 N ATOM 1042 CA GLU A 65 -0.153 -14.809 6.458 1.00 0.00 C ATOM 1043 C GLU A 65 1.290 -14.320 6.320 1.00 0.00 C ATOM 1044 O GLU A 65 2.182 -14.768 7.013 1.00 0.00 O ATOM 1045 CB GLU A 65 -0.548 -15.595 5.205 1.00 0.00 C ATOM 1046 CG GLU A 65 -1.382 -16.815 5.602 1.00 0.00 C ATOM 1047 CD GLU A 65 -0.457 -18.004 5.867 1.00 0.00 C ATOM 1048 OE1 GLU A 65 0.492 -18.170 5.117 1.00 0.00 O ATOM 1049 OE2 GLU A 65 -0.713 -18.730 6.814 1.00 0.00 O ATOM 0 H GLU A 65 -1.730 -13.500 5.857 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.242 -15.455 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.118 -14.958 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.345 -15.913 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.969 -16.592 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.088 -17.060 4.808 1.00 0.00 H new ATOM 1056 N MET A 66 1.520 -13.399 5.426 1.00 0.00 N ATOM 1057 CA MET A 66 2.897 -12.862 5.227 1.00 0.00 C ATOM 1058 C MET A 66 3.255 -11.903 6.365 1.00 0.00 C ATOM 1059 O MET A 66 4.344 -11.373 6.423 1.00 0.00 O ATOM 1060 CB MET A 66 2.933 -12.099 3.912 1.00 0.00 C ATOM 1061 CG MET A 66 3.837 -12.826 2.916 1.00 0.00 C ATOM 1062 SD MET A 66 2.878 -14.087 2.039 1.00 0.00 S ATOM 1063 CE MET A 66 1.638 -12.976 1.330 1.00 0.00 C ATOM 0 H MET A 66 0.808 -12.992 4.820 1.00 0.00 H new ATOM 0 HA MET A 66 3.611 -13.686 5.214 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.926 -12.010 3.505 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.300 -11.086 4.078 1.00 0.00 H new ATOM 0 HG2 MET A 66 4.259 -12.115 2.205 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.674 -13.289 3.439 1.00 0.00 H new ATOM 0 HE1 MET A 66 1.338 -13.344 0.349 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.768 -12.937 1.985 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.061 -11.976 1.228 1.00 0.00 H new ATOM 1073 N LEU A 67 2.337 -11.669 7.256 1.00 0.00 N ATOM 1074 CA LEU A 67 2.594 -10.734 8.395 1.00 0.00 C ATOM 1075 C LEU A 67 4.029 -10.888 8.919 1.00 0.00 C ATOM 1076 O LEU A 67 4.583 -9.968 9.488 1.00 0.00 O ATOM 1077 CB LEU A 67 1.609 -11.032 9.532 1.00 0.00 C ATOM 1078 CG LEU A 67 1.969 -12.366 10.196 1.00 0.00 C ATOM 1079 CD1 LEU A 67 3.083 -12.151 11.223 1.00 0.00 C ATOM 1080 CD2 LEU A 67 0.736 -12.930 10.906 1.00 0.00 C ATOM 0 H LEU A 67 1.407 -12.088 7.248 1.00 0.00 H new ATOM 0 HA LEU A 67 2.460 -9.713 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.637 -10.229 10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.592 -11.072 9.143 1.00 0.00 H new ATOM 0 HG LEU A 67 2.309 -13.065 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.335 -13.102 11.692 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.964 -11.748 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.745 -11.449 11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.990 -13.879 11.379 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.399 -12.225 11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.061 -13.089 10.180 1.00 0.00 H new ATOM 1092 N VAL A 68 4.630 -12.038 8.747 1.00 0.00 N ATOM 1093 CA VAL A 68 6.023 -12.243 9.250 1.00 0.00 C ATOM 1094 C VAL A 68 6.864 -10.984 9.005 1.00 0.00 C ATOM 1095 O VAL A 68 7.583 -10.528 9.872 1.00 0.00 O ATOM 1096 CB VAL A 68 6.654 -13.427 8.516 1.00 0.00 C ATOM 1097 CG1 VAL A 68 6.030 -14.731 9.017 1.00 0.00 C ATOM 1098 CG2 VAL A 68 6.404 -13.290 7.013 1.00 0.00 C ATOM 0 H VAL A 68 4.216 -12.845 8.280 1.00 0.00 H new ATOM 0 HA VAL A 68 5.991 -12.445 10.321 1.00 0.00 H new ATOM 0 HB VAL A 68 7.727 -13.439 8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.480 -15.574 8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.208 -14.832 10.088 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.957 -14.717 8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.854 -14.134 6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.331 -13.276 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.849 -12.362 6.653 1.00 0.00 H new ATOM 1108 N ASP A 69 6.775 -10.419 7.833 1.00 0.00 N ATOM 1109 CA ASP A 69 7.563 -9.191 7.526 1.00 0.00 C ATOM 1110 C ASP A 69 7.082 -8.037 8.407 1.00 0.00 C ATOM 1111 O ASP A 69 5.924 -7.962 8.768 1.00 0.00 O ATOM 1112 CB ASP A 69 7.353 -8.816 6.058 1.00 0.00 C ATOM 1113 CG ASP A 69 5.857 -8.811 5.740 1.00 0.00 C ATOM 1114 OD1 ASP A 69 5.072 -8.756 6.672 1.00 0.00 O ATOM 1115 OD2 ASP A 69 5.521 -8.860 4.568 1.00 0.00 O ATOM 0 H ASP A 69 6.188 -10.756 7.070 1.00 0.00 H new ATOM 0 HA ASP A 69 8.619 -9.381 7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.781 -7.834 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.870 -9.526 5.413 1.00 0.00 H new ATOM 1120 N VAL A 70 7.956 -7.128 8.743 1.00 0.00 N ATOM 1121 CA VAL A 70 7.533 -5.974 9.587 1.00 0.00 C ATOM 1122 C VAL A 70 6.483 -5.171 8.818 1.00 0.00 C ATOM 1123 O VAL A 70 6.253 -5.405 7.647 1.00 0.00 O ATOM 1124 CB VAL A 70 8.738 -5.084 9.896 1.00 0.00 C ATOM 1125 CG1 VAL A 70 8.338 -4.016 10.916 1.00 0.00 C ATOM 1126 CG2 VAL A 70 9.867 -5.939 10.475 1.00 0.00 C ATOM 0 H VAL A 70 8.939 -7.134 8.472 1.00 0.00 H new ATOM 0 HA VAL A 70 7.116 -6.335 10.527 1.00 0.00 H new ATOM 0 HB VAL A 70 9.077 -4.602 8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.197 -3.382 11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.532 -3.406 10.507 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.999 -4.498 11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.726 -5.306 10.696 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.526 -6.420 11.392 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.154 -6.701 9.751 1.00 0.00 H new ATOM 1136 N ILE A 71 5.834 -4.237 9.458 1.00 0.00 N ATOM 1137 CA ILE A 71 4.793 -3.447 8.742 1.00 0.00 C ATOM 1138 C ILE A 71 4.802 -1.990 9.213 1.00 0.00 C ATOM 1139 O ILE A 71 5.247 -1.676 10.299 1.00 0.00 O ATOM 1140 CB ILE A 71 3.423 -4.057 9.026 1.00 0.00 C ATOM 1141 CG1 ILE A 71 3.519 -5.582 8.938 1.00 0.00 C ATOM 1142 CG2 ILE A 71 2.417 -3.548 7.996 1.00 0.00 C ATOM 1143 CD1 ILE A 71 2.249 -6.209 9.515 1.00 0.00 C ATOM 0 H ILE A 71 5.978 -3.988 10.437 1.00 0.00 H new ATOM 0 HA ILE A 71 5.005 -3.471 7.673 1.00 0.00 H new ATOM 0 HB ILE A 71 3.095 -3.770 10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.649 -5.889 7.900 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.392 -5.934 9.487 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.438 -3.983 8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.351 -2.462 8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.743 -3.836 6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.318 -7.295 9.452 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.138 -5.912 10.558 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.384 -5.867 8.947 1.00 0.00 H new ATOM 1155 N THR A 72 4.297 -1.103 8.398 1.00 0.00 N ATOM 1156 CA THR A 72 4.250 0.337 8.781 1.00 0.00 C ATOM 1157 C THR A 72 3.190 1.042 7.931 1.00 0.00 C ATOM 1158 O THR A 72 3.014 0.740 6.767 1.00 0.00 O ATOM 1159 CB THR A 72 5.623 0.978 8.556 1.00 0.00 C ATOM 1160 OG1 THR A 72 6.565 -0.035 8.234 1.00 0.00 O ATOM 1161 CG2 THR A 72 6.067 1.696 9.830 1.00 0.00 C ATOM 0 H THR A 72 3.913 -1.316 7.478 1.00 0.00 H new ATOM 0 HA THR A 72 3.991 0.433 9.836 1.00 0.00 H new ATOM 0 HB THR A 72 5.561 1.696 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.331 0.025 8.843 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.044 2.152 9.669 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.343 2.470 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.132 0.979 10.648 1.00 0.00 H new ATOM 1169 N ILE A 73 2.468 1.966 8.504 1.00 0.00 N ATOM 1170 CA ILE A 73 1.410 2.669 7.731 1.00 0.00 C ATOM 1171 C ILE A 73 1.334 4.140 8.155 1.00 0.00 C ATOM 1172 O ILE A 73 1.836 4.529 9.191 1.00 0.00 O ATOM 1173 CB ILE A 73 0.057 2.002 7.989 1.00 0.00 C ATOM 1174 CG1 ILE A 73 0.056 1.339 9.371 1.00 0.00 C ATOM 1175 CG2 ILE A 73 -0.206 0.942 6.919 1.00 0.00 C ATOM 1176 CD1 ILE A 73 -1.292 1.585 10.051 1.00 0.00 C ATOM 0 H ILE A 73 2.567 2.263 9.475 1.00 0.00 H new ATOM 0 HA ILE A 73 1.654 2.613 6.670 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.725 2.760 7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.237 0.269 9.273 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.863 1.744 9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.170 0.469 7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.216 1.412 5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.581 0.188 6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.295 1.114 11.034 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.453 2.657 10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.090 1.159 9.442 1.00 0.00 H new ATOM 1188 N GLY A 74 0.703 4.958 7.353 1.00 0.00 N ATOM 1189 CA GLY A 74 0.580 6.406 7.688 1.00 0.00 C ATOM 1190 C GLY A 74 -0.320 7.078 6.654 1.00 0.00 C ATOM 1191 O GLY A 74 0.130 7.823 5.808 1.00 0.00 O ATOM 0 H GLY A 74 0.265 4.682 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.162 6.528 8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.563 6.876 7.694 1.00 0.00 H new ATOM 1195 N GLY A 75 -1.587 6.804 6.711 1.00 0.00 N ATOM 1196 CA GLY A 75 -2.532 7.398 5.730 1.00 0.00 C ATOM 1197 C GLY A 75 -3.478 6.297 5.268 1.00 0.00 C ATOM 1198 O GLY A 75 -3.090 5.394 4.553 1.00 0.00 O ATOM 0 H GLY A 75 -2.015 6.188 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.091 8.216 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.989 7.816 4.882 1.00 0.00 H new ATOM 1202 N ASN A 76 -4.708 6.344 5.685 1.00 0.00 N ATOM 1203 CA ASN A 76 -5.657 5.276 5.284 1.00 0.00 C ATOM 1204 C ASN A 76 -7.100 5.762 5.389 1.00 0.00 C ATOM 1205 O ASN A 76 -7.487 6.434 6.325 1.00 0.00 O ATOM 1206 CB ASN A 76 -5.471 4.066 6.194 1.00 0.00 C ATOM 1207 CG ASN A 76 -5.068 4.530 7.595 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -3.927 4.877 7.828 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -5.962 4.555 8.545 1.00 0.00 N ATOM 0 H ASN A 76 -5.096 7.073 6.284 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.453 5.005 4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.395 3.491 6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.706 3.406 5.785 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.703 4.865 9.481 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.920 4.264 8.351 1.00 0.00 H new ATOM 1216 N VAL A 77 -7.892 5.395 4.430 1.00 0.00 N ATOM 1217 CA VAL A 77 -9.322 5.773 4.413 1.00 0.00 C ATOM 1218 C VAL A 77 -10.046 4.682 3.633 1.00 0.00 C ATOM 1219 O VAL A 77 -11.013 4.917 2.940 1.00 0.00 O ATOM 1220 CB VAL A 77 -9.484 7.117 3.710 1.00 0.00 C ATOM 1221 CG1 VAL A 77 -10.748 7.800 4.219 1.00 0.00 C ATOM 1222 CG2 VAL A 77 -8.272 7.999 4.013 1.00 0.00 C ATOM 0 H VAL A 77 -7.597 4.831 3.633 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.726 5.868 5.421 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.559 6.961 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.868 8.761 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.612 7.170 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.669 7.957 5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.387 8.960 3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.198 8.158 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.367 7.509 3.655 1.00 0.00 H new ATOM 1232 N ASP A 78 -9.526 3.488 3.718 1.00 0.00 N ATOM 1233 CA ASP A 78 -10.091 2.329 2.959 1.00 0.00 C ATOM 1234 C ASP A 78 -11.587 2.252 3.115 1.00 0.00 C ATOM 1235 O ASP A 78 -12.312 1.931 2.196 1.00 0.00 O ATOM 1236 CB ASP A 78 -9.491 1.044 3.518 1.00 0.00 C ATOM 1237 CG ASP A 78 -10.002 0.823 4.944 1.00 0.00 C ATOM 1238 OD1 ASP A 78 -9.414 1.382 5.856 1.00 0.00 O ATOM 1239 OD2 ASP A 78 -10.972 0.100 5.100 1.00 0.00 O ATOM 0 H ASP A 78 -8.715 3.260 4.294 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.851 2.458 1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.763 0.198 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.403 1.106 3.515 1.00 0.00 H new ATOM 1244 N GLU A 79 -12.045 2.524 4.264 1.00 0.00 N ATOM 1245 CA GLU A 79 -13.508 2.450 4.500 1.00 0.00 C ATOM 1246 C GLU A 79 -14.097 3.843 4.717 1.00 0.00 C ATOM 1247 O GLU A 79 -13.979 4.423 5.778 1.00 0.00 O ATOM 1248 CB GLU A 79 -13.780 1.583 5.727 1.00 0.00 C ATOM 1249 CG GLU A 79 -13.865 0.116 5.307 1.00 0.00 C ATOM 1250 CD GLU A 79 -15.330 -0.319 5.273 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -15.991 -0.029 4.289 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -15.768 -0.931 6.233 1.00 0.00 O ATOM 0 H GLU A 79 -11.483 2.799 5.070 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.980 2.010 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.987 1.716 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.711 1.890 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.411 -0.019 4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.306 -0.507 6.005 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.749 4.375 3.719 1.00 0.00 N ATOM 1260 CA ASP A 80 -15.369 5.721 3.866 1.00 0.00 C ATOM 1261 C ASP A 80 -16.891 5.584 3.762 1.00 0.00 C ATOM 1262 O ASP A 80 -17.609 5.769 4.725 1.00 0.00 O ATOM 1263 CB ASP A 80 -14.855 6.646 2.764 1.00 0.00 C ATOM 1264 CG ASP A 80 -15.510 8.021 2.902 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -16.440 8.137 3.682 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -15.068 8.936 2.226 1.00 0.00 O ATOM 0 H ASP A 80 -14.879 3.935 2.808 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.106 6.144 4.835 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.771 6.740 2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.079 6.222 1.785 1.00 0.00 H new ATOM 1271 N ASP A 81 -17.389 5.254 2.599 1.00 0.00 N ATOM 1272 CA ASP A 81 -18.860 5.099 2.434 1.00 0.00 C ATOM 1273 C ASP A 81 -19.200 3.612 2.275 1.00 0.00 C ATOM 1274 O ASP A 81 -19.320 2.890 3.245 1.00 0.00 O ATOM 1275 CB ASP A 81 -19.314 5.871 1.194 1.00 0.00 C ATOM 1276 CG ASP A 81 -19.363 7.366 1.514 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -20.112 7.738 2.403 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -18.651 8.114 0.865 1.00 0.00 O ATOM 0 H ASP A 81 -16.838 5.086 1.757 1.00 0.00 H new ATOM 0 HA ASP A 81 -19.373 5.493 3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -18.628 5.688 0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -20.297 5.524 0.876 1.00 0.00 H new ATOM 1283 N ASP A 82 -19.347 3.143 1.063 1.00 0.00 N ATOM 1284 CA ASP A 82 -19.667 1.702 0.855 1.00 0.00 C ATOM 1285 C ASP A 82 -18.716 1.121 -0.194 1.00 0.00 C ATOM 1286 O ASP A 82 -18.786 -0.042 -0.538 1.00 0.00 O ATOM 1287 CB ASP A 82 -21.113 1.565 0.373 1.00 0.00 C ATOM 1288 CG ASP A 82 -22.060 1.689 1.569 1.00 0.00 C ATOM 1289 OD1 ASP A 82 -21.596 1.524 2.685 1.00 0.00 O ATOM 1290 OD2 ASP A 82 -23.232 1.947 1.348 1.00 0.00 O ATOM 0 H ASP A 82 -19.259 3.696 0.210 1.00 0.00 H new ATOM 0 HA ASP A 82 -19.548 1.160 1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -21.337 2.336 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.255 0.603 -0.119 1.00 0.00 H new ATOM 1295 N ARG A 83 -17.827 1.930 -0.705 1.00 0.00 N ATOM 1296 CA ARG A 83 -16.867 1.446 -1.734 1.00 0.00 C ATOM 1297 C ARG A 83 -15.493 1.209 -1.081 1.00 0.00 C ATOM 1298 O ARG A 83 -15.310 0.263 -0.341 1.00 0.00 O ATOM 1299 CB ARG A 83 -16.757 2.491 -2.843 1.00 0.00 C ATOM 1300 CG ARG A 83 -16.911 3.900 -2.263 1.00 0.00 C ATOM 1301 CD ARG A 83 -18.391 4.278 -2.233 1.00 0.00 C ATOM 1302 NE ARG A 83 -18.655 5.346 -3.247 1.00 0.00 N ATOM 1303 CZ ARG A 83 -17.916 6.424 -3.305 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -17.049 6.689 -2.363 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -18.084 7.272 -4.283 1.00 0.00 N ATOM 0 H ARG A 83 -17.726 2.913 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 83 -17.218 0.507 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -15.793 2.400 -3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -17.525 2.314 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.494 3.938 -1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.354 4.616 -2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -19.005 3.402 -2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.667 4.630 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 83 -19.426 5.231 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.944 6.052 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.478 7.532 -2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -18.789 7.093 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.510 8.114 -4.332 1.00 0.00 H new ATOM 1319 N PHE A 84 -14.526 2.057 -1.340 1.00 0.00 N ATOM 1320 CA PHE A 84 -13.179 1.872 -0.726 1.00 0.00 C ATOM 1321 C PHE A 84 -12.303 3.068 -1.096 1.00 0.00 C ATOM 1322 O PHE A 84 -12.052 3.319 -2.256 1.00 0.00 O ATOM 1323 CB PHE A 84 -12.543 0.590 -1.264 1.00 0.00 C ATOM 1324 CG PHE A 84 -11.096 0.526 -0.837 1.00 0.00 C ATOM 1325 CD1 PHE A 84 -10.129 1.264 -1.529 1.00 0.00 C ATOM 1326 CD2 PHE A 84 -10.722 -0.270 0.252 1.00 0.00 C ATOM 1327 CE1 PHE A 84 -8.787 1.206 -1.133 1.00 0.00 C ATOM 1328 CE2 PHE A 84 -9.380 -0.328 0.649 1.00 0.00 C ATOM 1329 CZ PHE A 84 -8.413 0.410 -0.044 1.00 0.00 C ATOM 0 H PHE A 84 -14.615 2.869 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.272 1.798 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -13.082 -0.280 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.613 0.565 -2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.418 1.879 -2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.468 -0.839 0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.041 1.775 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.091 -0.942 1.489 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.378 0.365 0.262 1.00 0.00 H new ATOM 1339 N VAL A 85 -11.846 3.824 -0.132 1.00 0.00 N ATOM 1340 CA VAL A 85 -11.006 5.016 -0.478 1.00 0.00 C ATOM 1341 C VAL A 85 -9.734 5.051 0.387 1.00 0.00 C ATOM 1342 O VAL A 85 -9.552 4.250 1.264 1.00 0.00 O ATOM 1343 CB VAL A 85 -11.847 6.284 -0.246 1.00 0.00 C ATOM 1344 CG1 VAL A 85 -12.125 6.456 1.244 1.00 0.00 C ATOM 1345 CG2 VAL A 85 -11.107 7.522 -0.761 1.00 0.00 C ATOM 0 H VAL A 85 -12.012 3.675 0.863 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.696 4.959 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.786 6.176 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.721 7.355 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.672 5.589 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.181 6.547 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.717 8.409 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.159 7.625 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.917 7.414 -1.829 1.00 0.00 H new ATOM 1355 N LEU A 86 -8.853 5.978 0.129 1.00 0.00 N ATOM 1356 CA LEU A 86 -7.596 6.100 0.923 1.00 0.00 C ATOM 1357 C LEU A 86 -6.849 7.320 0.371 1.00 0.00 C ATOM 1358 O LEU A 86 -6.687 7.464 -0.824 1.00 0.00 O ATOM 1359 CB LEU A 86 -6.775 4.824 0.713 1.00 0.00 C ATOM 1360 CG LEU A 86 -5.291 5.061 1.016 1.00 0.00 C ATOM 1361 CD1 LEU A 86 -4.621 5.713 -0.189 1.00 0.00 C ATOM 1362 CD2 LEU A 86 -5.134 5.972 2.231 1.00 0.00 C ATOM 0 H LEU A 86 -8.953 6.670 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.783 6.223 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.158 4.032 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.888 4.481 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.821 4.101 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.566 5.881 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.714 5.058 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.104 6.667 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.075 6.130 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.612 6.931 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.603 5.506 3.098 1.00 0.00 H new ATOM 1374 N GLU A 87 -6.413 8.209 1.217 1.00 0.00 N ATOM 1375 CA GLU A 87 -5.707 9.418 0.719 1.00 0.00 C ATOM 1376 C GLU A 87 -4.367 9.617 1.423 1.00 0.00 C ATOM 1377 O GLU A 87 -3.731 8.688 1.879 1.00 0.00 O ATOM 1378 CB GLU A 87 -6.595 10.630 0.963 1.00 0.00 C ATOM 1379 CG GLU A 87 -7.998 10.354 0.417 1.00 0.00 C ATOM 1380 CD GLU A 87 -9.041 10.734 1.468 1.00 0.00 C ATOM 1381 OE1 GLU A 87 -8.694 11.463 2.383 1.00 0.00 O ATOM 1382 OE2 GLU A 87 -10.170 10.289 1.341 1.00 0.00 O ATOM 0 H GLU A 87 -6.515 8.150 2.230 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.506 9.292 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.645 10.848 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.171 11.509 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.163 10.925 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.097 9.300 0.156 1.00 0.00 H new