USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 31 HIS : no HD1:sc= -1.04 X(o=-1.4,f=-1.2) USER MOD Set 1.2: A 35 THR OG1 : rot -170:sc= -0.313 USER MOD Single : A 7 SER OG : rot 24:sc= 0.316 USER MOD Single : A 11 ASN : amide:sc= -2.04 K(o=-2,f=-0.018) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.48 K(o=-0.48,f=-4.3!) USER MOD Single : A 17 HIS : no HD1:sc=-0.00635 X(o=-0.0064,f=-0.00013) USER MOD Single : A 18 MET CE :methyl 166:sc= 0 (180deg=-0.179) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -141:sc= -0.183 (180deg=-0.69) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0314 K(o=-0.031,f=-2.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00483 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -96:sc= 0.389 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1.12) USER MOD Single : A 64 GLN : amide:sc= 0.416 K(o=0.42,f=-3!) USER MOD Single : A 65 ASN : amide:sc= 1.23 K(o=1.2,f=-0.32) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0353) USER MOD Single : A 71 THR OG1 : rot -68:sc= 0.0224 USER MOD Single : A 72 ASN : amide:sc= -1.79 K(o=-1.8,f=-8.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 0.918 -7.914 31.068 1.00 0.00 N ATOM 2 CA SER A 7 0.148 -9.073 30.651 1.00 0.00 C ATOM 3 C SER A 7 -0.246 -8.909 29.190 1.00 0.00 C ATOM 4 O SER A 7 -1.175 -8.157 28.869 1.00 0.00 O ATOM 5 CB SER A 7 -1.087 -9.160 31.535 1.00 0.00 C ATOM 6 OG SER A 7 -0.712 -9.050 32.902 1.00 0.00 O ATOM 0 HA SER A 7 0.731 -9.988 30.750 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.787 -8.366 31.276 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.601 -10.106 31.365 1.00 0.00 H new ATOM 0 HG SER A 7 0.145 -8.580 32.969 1.00 0.00 H new ATOM 12 N GLY A 8 0.486 -9.554 28.305 1.00 0.00 N ATOM 13 CA GLY A 8 0.191 -9.479 26.901 1.00 0.00 C ATOM 14 C GLY A 8 -0.946 -10.396 26.562 1.00 0.00 C ATOM 15 O GLY A 8 -0.792 -11.620 26.581 1.00 0.00 O ATOM 0 H GLY A 8 1.290 -10.136 28.540 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.065 -8.455 26.630 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.073 -9.751 26.321 1.00 0.00 H new ATOM 19 N ARG A 9 -2.094 -9.831 26.297 1.00 0.00 N ATOM 20 CA ARG A 9 -3.249 -10.625 25.970 1.00 0.00 C ATOM 21 C ARG A 9 -3.514 -10.408 24.506 1.00 0.00 C ATOM 22 O ARG A 9 -4.202 -9.463 24.125 1.00 0.00 O ATOM 23 CB ARG A 9 -4.471 -10.230 26.801 1.00 0.00 C ATOM 24 CG ARG A 9 -4.202 -10.164 28.295 1.00 0.00 C ATOM 25 CD ARG A 9 -5.477 -9.959 29.089 1.00 0.00 C ATOM 26 NE ARG A 9 -6.267 -8.796 28.655 1.00 0.00 N ATOM 27 CZ ARG A 9 -7.416 -8.427 29.230 1.00 0.00 C ATOM 28 NH1 ARG A 9 -7.772 -8.960 30.390 1.00 0.00 N ATOM 29 NH2 ARG A 9 -8.180 -7.492 28.679 1.00 0.00 N ATOM 0 H ARG A 9 -2.255 -8.824 26.301 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.059 -11.675 26.194 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.830 -9.258 26.463 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.271 -10.947 26.617 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.717 -11.085 28.618 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.509 -9.349 28.504 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.092 -10.855 29.008 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.223 -9.841 30.142 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.919 -8.241 27.873 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.170 -9.649 30.841 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.648 -8.681 30.832 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.893 -7.047 27.808 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.055 -7.219 29.127 1.00 0.00 H new ATOM 43 N GLU A 10 -2.906 -11.235 23.692 1.00 0.00 N ATOM 44 CA GLU A 10 -2.992 -11.094 22.272 1.00 0.00 C ATOM 45 C GLU A 10 -4.266 -11.766 21.802 1.00 0.00 C ATOM 46 O GLU A 10 -4.413 -12.993 21.860 1.00 0.00 O ATOM 47 CB GLU A 10 -1.750 -11.695 21.609 1.00 0.00 C ATOM 48 CG GLU A 10 -1.593 -11.312 20.151 1.00 0.00 C ATOM 49 CD GLU A 10 -1.418 -9.818 19.979 1.00 0.00 C ATOM 50 OE1 GLU A 10 -2.433 -9.086 19.892 1.00 0.00 O ATOM 51 OE2 GLU A 10 -0.273 -9.336 19.955 1.00 0.00 O ATOM 0 H GLU A 10 -2.339 -12.024 24.002 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.026 -10.042 21.991 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.865 -11.374 22.157 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.797 -12.781 21.687 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.731 -11.830 19.730 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.468 -11.642 19.592 1.00 0.00 H new ATOM 58 N ASN A 11 -5.194 -10.954 21.396 1.00 0.00 N ATOM 59 CA ASN A 11 -6.489 -11.402 20.958 1.00 0.00 C ATOM 60 C ASN A 11 -6.655 -10.891 19.554 1.00 0.00 C ATOM 61 O ASN A 11 -6.423 -9.709 19.312 1.00 0.00 O ATOM 62 CB ASN A 11 -7.546 -10.781 21.893 1.00 0.00 C ATOM 63 CG ASN A 11 -9.001 -11.238 21.734 1.00 0.00 C ATOM 64 OD1 ASN A 11 -9.725 -11.278 22.730 1.00 0.00 O ATOM 65 ND2 ASN A 11 -9.480 -11.526 20.541 1.00 0.00 N ATOM 0 H ASN A 11 -5.074 -9.942 21.358 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.596 -12.486 20.982 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.243 -10.982 22.921 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.518 -9.700 21.758 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.461 -11.786 20.434 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.870 -11.489 19.724 1.00 0.00 H new ATOM 72 N LEU A 12 -6.966 -11.770 18.620 1.00 0.00 N ATOM 73 CA LEU A 12 -7.233 -11.340 17.256 1.00 0.00 C ATOM 74 C LEU A 12 -8.473 -10.465 17.299 1.00 0.00 C ATOM 75 O LEU A 12 -9.558 -10.910 17.672 1.00 0.00 O ATOM 76 CB LEU A 12 -7.371 -12.507 16.247 1.00 0.00 C ATOM 77 CG LEU A 12 -8.565 -13.471 16.363 1.00 0.00 C ATOM 78 CD1 LEU A 12 -8.583 -14.410 15.172 1.00 0.00 C ATOM 79 CD2 LEU A 12 -8.533 -14.292 17.645 1.00 0.00 C ATOM 0 H LEU A 12 -7.040 -12.775 18.775 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.376 -10.779 16.883 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.397 -12.073 15.247 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.461 -13.104 16.312 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.467 -12.860 16.384 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.430 -15.091 15.258 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.675 -13.831 14.253 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.657 -14.984 15.147 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.398 -14.954 17.675 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.620 -14.886 17.674 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.558 -13.624 18.506 1.00 0.00 H new ATOM 91 N TYR A 13 -8.291 -9.217 16.989 1.00 0.00 N ATOM 92 CA TYR A 13 -9.331 -8.241 17.156 1.00 0.00 C ATOM 93 C TYR A 13 -9.407 -7.408 15.897 1.00 0.00 C ATOM 94 O TYR A 13 -8.570 -6.536 15.660 1.00 0.00 O ATOM 95 CB TYR A 13 -8.975 -7.372 18.368 1.00 0.00 C ATOM 96 CG TYR A 13 -10.087 -7.151 19.372 1.00 0.00 C ATOM 97 CD1 TYR A 13 -10.579 -8.210 20.123 1.00 0.00 C ATOM 98 CD2 TYR A 13 -10.610 -5.888 19.603 1.00 0.00 C ATOM 99 CE1 TYR A 13 -11.560 -8.016 21.075 1.00 0.00 C ATOM 100 CE2 TYR A 13 -11.597 -5.686 20.550 1.00 0.00 C ATOM 101 CZ TYR A 13 -12.068 -6.754 21.283 1.00 0.00 C ATOM 102 OH TYR A 13 -13.039 -6.555 22.246 1.00 0.00 O ATOM 0 H TYR A 13 -7.419 -8.844 16.613 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.300 -8.710 17.326 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.131 -7.830 18.884 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -8.638 -6.400 18.008 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.187 -9.203 19.960 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.240 -5.048 19.034 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.927 -8.851 21.654 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.997 -4.696 20.715 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.289 -5.608 22.267 1.00 0.00 H new ATOM 112 N PHE A 14 -10.354 -7.728 15.054 1.00 0.00 N ATOM 113 CA PHE A 14 -10.522 -7.013 13.815 1.00 0.00 C ATOM 114 C PHE A 14 -11.334 -5.765 14.032 1.00 0.00 C ATOM 115 O PHE A 14 -12.545 -5.813 14.249 1.00 0.00 O ATOM 116 CB PHE A 14 -11.092 -7.900 12.709 1.00 0.00 C ATOM 117 CG PHE A 14 -10.106 -8.921 12.219 1.00 0.00 C ATOM 118 CD1 PHE A 14 -9.331 -8.657 11.101 1.00 0.00 C ATOM 119 CD2 PHE A 14 -9.941 -10.130 12.874 1.00 0.00 C ATOM 120 CE1 PHE A 14 -8.413 -9.581 10.643 1.00 0.00 C ATOM 121 CE2 PHE A 14 -9.026 -11.058 12.420 1.00 0.00 C ATOM 122 CZ PHE A 14 -8.262 -10.781 11.305 1.00 0.00 C ATOM 0 H PHE A 14 -11.024 -8.483 15.204 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.536 -6.706 13.467 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.982 -8.409 13.079 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.407 -7.275 11.874 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.446 -7.717 10.582 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -10.535 -10.349 13.749 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.816 -9.365 9.770 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.908 -11.999 12.936 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.544 -11.506 10.950 1.00 0.00 H new ATOM 132 N GLN A 15 -10.638 -4.661 14.034 1.00 0.00 N ATOM 133 CA GLN A 15 -11.216 -3.362 14.238 1.00 0.00 C ATOM 134 C GLN A 15 -10.799 -2.475 13.095 1.00 0.00 C ATOM 135 O GLN A 15 -9.792 -2.740 12.424 1.00 0.00 O ATOM 136 CB GLN A 15 -10.697 -2.726 15.532 1.00 0.00 C ATOM 137 CG GLN A 15 -11.070 -3.431 16.824 1.00 0.00 C ATOM 138 CD GLN A 15 -12.547 -3.359 17.184 1.00 0.00 C ATOM 139 OE1 GLN A 15 -13.438 -3.290 16.332 1.00 0.00 O ATOM 140 NE2 GLN A 15 -12.819 -3.347 18.466 1.00 0.00 N ATOM 0 H GLN A 15 -9.628 -4.640 13.890 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.299 -3.468 14.298 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.610 -2.670 15.474 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.066 -1.702 15.582 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.779 -4.479 16.747 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.490 -2.998 17.639 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.063 -3.405 19.148 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.787 -3.279 18.781 1.00 0.00 H new ATOM 149 N GLY A 16 -11.554 -1.438 12.889 1.00 0.00 N ATOM 150 CA GLY A 16 -11.218 -0.480 11.884 1.00 0.00 C ATOM 151 C GLY A 16 -10.388 0.582 12.527 1.00 0.00 C ATOM 152 O GLY A 16 -10.912 1.554 13.071 1.00 0.00 O ATOM 0 H GLY A 16 -12.409 -1.235 13.406 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.668 -0.955 11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.120 -0.049 11.449 1.00 0.00 H new ATOM 156 N HIS A 17 -9.103 0.366 12.521 1.00 0.00 N ATOM 157 CA HIS A 17 -8.185 1.265 13.155 1.00 0.00 C ATOM 158 C HIS A 17 -7.328 1.867 12.057 1.00 0.00 C ATOM 159 O HIS A 17 -6.604 1.143 11.374 1.00 0.00 O ATOM 160 CB HIS A 17 -7.338 0.488 14.175 1.00 0.00 C ATOM 161 CG HIS A 17 -6.584 1.338 15.155 1.00 0.00 C ATOM 162 ND1 HIS A 17 -6.737 1.245 16.521 1.00 0.00 N ATOM 163 CD2 HIS A 17 -5.640 2.289 14.952 1.00 0.00 C ATOM 164 CE1 HIS A 17 -5.908 2.117 17.092 1.00 0.00 C ATOM 165 NE2 HIS A 17 -5.212 2.781 16.180 1.00 0.00 N ATOM 0 H HIS A 17 -8.663 -0.440 12.076 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.698 2.060 13.697 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.992 -0.185 14.729 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.625 -0.134 13.634 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.277 2.614 13.988 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.815 2.264 18.158 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -4.509 3.502 16.345 1.00 0.00 H new ATOM 173 N MET A 18 -7.436 3.170 11.896 1.00 0.00 N ATOM 174 CA MET A 18 -6.747 3.922 10.853 1.00 0.00 C ATOM 175 C MET A 18 -5.241 3.702 10.870 1.00 0.00 C ATOM 176 O MET A 18 -4.567 4.063 11.837 1.00 0.00 O ATOM 177 CB MET A 18 -7.049 5.420 10.995 1.00 0.00 C ATOM 178 CG MET A 18 -6.271 6.309 10.033 1.00 0.00 C ATOM 179 SD MET A 18 -6.581 5.906 8.306 1.00 0.00 S ATOM 180 CE MET A 18 -5.456 7.045 7.502 1.00 0.00 C ATOM 0 H MET A 18 -8.017 3.754 12.497 1.00 0.00 H new ATOM 0 HA MET A 18 -7.121 3.553 9.898 1.00 0.00 H new ATOM 0 HB2 MET A 18 -8.116 5.580 10.838 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.827 5.728 12.017 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.537 7.351 10.212 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.205 6.213 10.238 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.337 6.762 6.456 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.859 8.056 7.560 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.487 7.011 7.999 1.00 0.00 H new ATOM 190 N ALA A 19 -4.740 3.075 9.819 1.00 0.00 N ATOM 191 CA ALA A 19 -3.320 2.868 9.629 1.00 0.00 C ATOM 192 C ALA A 19 -2.701 4.219 9.333 1.00 0.00 C ATOM 193 O ALA A 19 -3.079 4.894 8.374 1.00 0.00 O ATOM 194 CB ALA A 19 -3.068 1.886 8.495 1.00 0.00 C ATOM 0 H ALA A 19 -5.315 2.693 9.068 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.870 2.438 10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.995 1.744 8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.535 0.930 8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.493 2.279 7.572 1.00 0.00 H new ATOM 200 N ALA A 20 -1.787 4.610 10.168 1.00 0.00 N ATOM 201 CA ALA A 20 -1.200 5.924 10.106 1.00 0.00 C ATOM 202 C ALA A 20 0.026 5.934 9.215 1.00 0.00 C ATOM 203 O ALA A 20 0.696 4.908 9.092 1.00 0.00 O ATOM 204 CB ALA A 20 -0.820 6.350 11.515 1.00 0.00 C ATOM 0 H ALA A 20 -1.421 4.025 10.919 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.924 6.619 9.681 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.373 7.344 11.487 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.711 6.370 12.142 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.102 5.641 11.928 1.00 0.00 H new ATOM 210 N PRO A 21 0.293 7.059 8.515 1.00 0.00 N ATOM 211 CA PRO A 21 1.541 7.257 7.776 1.00 0.00 C ATOM 212 C PRO A 21 2.709 7.123 8.753 1.00 0.00 C ATOM 213 O PRO A 21 3.042 8.042 9.507 1.00 0.00 O ATOM 214 CB PRO A 21 1.434 8.684 7.242 1.00 0.00 C ATOM 215 CG PRO A 21 -0.022 8.971 7.214 1.00 0.00 C ATOM 216 CD PRO A 21 -0.627 8.199 8.347 1.00 0.00 C ATOM 0 HA PRO A 21 1.701 6.538 6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.963 9.387 7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.873 8.768 6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.210 10.039 7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.459 8.670 6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.691 8.800 9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.639 7.868 8.112 1.00 0.00 H new ATOM 224 N ALA A 22 3.269 5.939 8.768 1.00 0.00 N ATOM 225 CA ALA A 22 4.263 5.527 9.747 1.00 0.00 C ATOM 226 C ALA A 22 5.675 5.576 9.244 1.00 0.00 C ATOM 227 O ALA A 22 6.567 4.942 9.816 1.00 0.00 O ATOM 228 CB ALA A 22 3.938 4.115 10.135 1.00 0.00 C ATOM 0 H ALA A 22 3.046 5.213 8.087 1.00 0.00 H new ATOM 0 HA ALA A 22 4.217 6.225 10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.662 3.764 10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.937 4.077 10.564 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.979 3.476 9.253 1.00 0.00 H new ATOM 234 N ARG A 23 5.881 6.360 8.219 1.00 0.00 N ATOM 235 CA ARG A 23 7.169 6.452 7.528 1.00 0.00 C ATOM 236 C ARG A 23 7.548 5.069 6.974 1.00 0.00 C ATOM 237 O ARG A 23 8.718 4.737 6.784 1.00 0.00 O ATOM 238 CB ARG A 23 8.277 7.028 8.432 1.00 0.00 C ATOM 239 CG ARG A 23 7.958 8.409 8.987 1.00 0.00 C ATOM 240 CD ARG A 23 9.068 8.948 9.874 1.00 0.00 C ATOM 241 NE ARG A 23 10.280 9.278 9.117 1.00 0.00 N ATOM 242 CZ ARG A 23 11.478 9.558 9.636 1.00 0.00 C ATOM 243 NH1 ARG A 23 11.712 9.379 10.937 1.00 0.00 N ATOM 244 NH2 ARG A 23 12.457 9.978 8.838 1.00 0.00 N ATOM 0 H ARG A 23 5.160 6.965 7.825 1.00 0.00 H new ATOM 0 HA ARG A 23 7.067 7.152 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.449 6.343 9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.206 7.080 7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.789 9.100 8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.031 8.363 9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.714 9.838 10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.310 8.209 10.638 1.00 0.00 H new ATOM 0 HE ARG A 23 10.200 9.295 8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.973 9.025 11.544 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.630 9.596 11.325 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.289 10.084 7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.375 10.194 9.227 1.00 0.00 H new ATOM 258 N SER A 24 6.524 4.299 6.632 1.00 0.00 N ATOM 259 CA SER A 24 6.660 2.973 6.070 1.00 0.00 C ATOM 260 C SER A 24 5.425 2.611 5.254 1.00 0.00 C ATOM 261 O SER A 24 4.308 2.796 5.734 1.00 0.00 O ATOM 262 CB SER A 24 6.828 1.953 7.193 1.00 0.00 C ATOM 263 OG SER A 24 8.048 2.142 7.892 1.00 0.00 O ATOM 0 H SER A 24 5.553 4.592 6.743 1.00 0.00 H new ATOM 0 HA SER A 24 7.536 2.961 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.993 2.036 7.889 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.798 0.946 6.778 1.00 0.00 H new ATOM 0 HG SER A 24 8.123 1.474 8.605 1.00 0.00 H new ATOM 269 N CYS A 25 5.634 2.082 4.059 1.00 0.00 N ATOM 270 CA CYS A 25 4.573 1.610 3.207 1.00 0.00 C ATOM 271 C CYS A 25 4.671 0.120 3.232 1.00 0.00 C ATOM 272 O CYS A 25 5.740 -0.451 3.082 1.00 0.00 O ATOM 273 CB CYS A 25 4.712 2.119 1.773 1.00 0.00 C ATOM 274 SG CYS A 25 4.313 3.877 1.589 1.00 0.00 S ATOM 0 H CYS A 25 6.564 1.970 3.654 1.00 0.00 H new ATOM 0 HA CYS A 25 3.609 1.974 3.563 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.733 1.949 1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.058 1.536 1.124 1.00 0.00 H new ATOM 279 N VAL A 26 3.571 -0.498 3.458 1.00 0.00 N ATOM 280 CA VAL A 26 3.521 -1.909 3.677 1.00 0.00 C ATOM 281 C VAL A 26 2.789 -2.503 2.514 1.00 0.00 C ATOM 282 O VAL A 26 1.672 -2.094 2.208 1.00 0.00 O ATOM 283 CB VAL A 26 2.778 -2.153 4.994 1.00 0.00 C ATOM 284 CG1 VAL A 26 2.986 -3.531 5.547 1.00 0.00 C ATOM 285 CG2 VAL A 26 3.211 -1.134 5.978 1.00 0.00 C ATOM 0 H VAL A 26 2.662 -0.037 3.498 1.00 0.00 H new ATOM 0 HA VAL A 26 4.509 -2.363 3.751 1.00 0.00 H new ATOM 0 HB VAL A 26 1.710 -2.069 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.432 -3.636 6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.630 -4.269 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.048 -3.691 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.690 -1.295 6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.286 -1.217 6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.976 -0.139 5.599 1.00 0.00 H new ATOM 295 N TYR A 27 3.436 -3.419 1.851 1.00 0.00 N ATOM 296 CA TYR A 27 2.918 -3.982 0.638 1.00 0.00 C ATOM 297 C TYR A 27 2.197 -5.272 0.913 1.00 0.00 C ATOM 298 O TYR A 27 2.696 -6.153 1.629 1.00 0.00 O ATOM 299 CB TYR A 27 4.027 -4.132 -0.413 1.00 0.00 C ATOM 300 CG TYR A 27 4.547 -2.796 -0.922 1.00 0.00 C ATOM 301 CD1 TYR A 27 5.159 -1.889 -0.068 1.00 0.00 C ATOM 302 CD2 TYR A 27 4.425 -2.440 -2.256 1.00 0.00 C ATOM 303 CE1 TYR A 27 5.626 -0.673 -0.513 1.00 0.00 C ATOM 304 CE2 TYR A 27 4.896 -1.222 -2.711 1.00 0.00 C ATOM 305 CZ TYR A 27 5.495 -0.344 -1.838 1.00 0.00 C ATOM 306 OH TYR A 27 5.958 0.870 -2.296 1.00 0.00 O ATOM 0 H TYR A 27 4.339 -3.797 2.137 1.00 0.00 H new ATOM 0 HA TYR A 27 2.182 -3.296 0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.854 -4.698 0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.647 -4.712 -1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.272 -2.145 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.956 -3.123 -2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.092 0.016 0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.793 -0.960 -3.754 1.00 0.00 H new ATOM 0 HH TYR A 27 5.788 0.943 -3.258 1.00 0.00 H new ATOM 316 N TYR A 28 1.017 -5.349 0.372 1.00 0.00 N ATOM 317 CA TYR A 28 0.140 -6.456 0.529 1.00 0.00 C ATOM 318 C TYR A 28 -0.316 -6.936 -0.825 1.00 0.00 C ATOM 319 O TYR A 28 -0.453 -6.155 -1.755 1.00 0.00 O ATOM 320 CB TYR A 28 -1.108 -6.047 1.312 1.00 0.00 C ATOM 321 CG TYR A 28 -0.906 -5.704 2.769 1.00 0.00 C ATOM 322 CD1 TYR A 28 -0.531 -4.432 3.179 1.00 0.00 C ATOM 323 CD2 TYR A 28 -1.111 -6.666 3.744 1.00 0.00 C ATOM 324 CE1 TYR A 28 -0.363 -4.142 4.517 1.00 0.00 C ATOM 325 CE2 TYR A 28 -0.946 -6.381 5.078 1.00 0.00 C ATOM 326 CZ TYR A 28 -0.572 -5.118 5.460 1.00 0.00 C ATOM 327 OH TYR A 28 -0.402 -4.834 6.794 1.00 0.00 O ATOM 0 H TYR A 28 0.630 -4.609 -0.213 1.00 0.00 H new ATOM 0 HA TYR A 28 0.679 -7.239 1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.554 -5.184 0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.832 -6.860 1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.369 -3.660 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.407 -7.662 3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.068 -3.149 4.822 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.110 -7.147 5.821 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.591 -5.635 7.326 1.00 0.00 H new ATOM 337 N ASP A 29 -0.506 -8.216 -0.938 1.00 0.00 N ATOM 338 CA ASP A 29 -1.118 -8.786 -2.119 1.00 0.00 C ATOM 339 C ASP A 29 -2.583 -8.817 -1.786 1.00 0.00 C ATOM 340 O ASP A 29 -3.002 -9.620 -0.955 1.00 0.00 O ATOM 341 CB ASP A 29 -0.620 -10.218 -2.361 1.00 0.00 C ATOM 342 CG ASP A 29 -1.210 -10.928 -3.585 1.00 0.00 C ATOM 343 OD1 ASP A 29 -0.451 -11.582 -4.335 1.00 0.00 O ATOM 344 OD2 ASP A 29 -2.435 -10.874 -3.829 1.00 0.00 O ATOM 0 H ASP A 29 -0.246 -8.897 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.886 -8.215 -3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.465 -10.193 -2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.841 -10.815 -1.476 1.00 0.00 H new ATOM 349 N GLY A 30 -3.341 -7.911 -2.328 1.00 0.00 N ATOM 350 CA GLY A 30 -4.735 -7.906 -2.041 1.00 0.00 C ATOM 351 C GLY A 30 -5.529 -7.276 -3.123 1.00 0.00 C ATOM 352 O GLY A 30 -5.313 -6.129 -3.521 1.00 0.00 O ATOM 0 H GLY A 30 -3.020 -7.179 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.077 -8.930 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.910 -7.372 -1.107 1.00 0.00 H new ATOM 356 N HIS A 31 -6.483 -8.029 -3.551 1.00 0.00 N ATOM 357 CA HIS A 31 -7.412 -7.610 -4.578 1.00 0.00 C ATOM 358 C HIS A 31 -8.598 -6.939 -3.906 1.00 0.00 C ATOM 359 O HIS A 31 -9.351 -6.184 -4.508 1.00 0.00 O ATOM 360 CB HIS A 31 -7.775 -8.775 -5.527 1.00 0.00 C ATOM 361 CG HIS A 31 -8.237 -10.051 -4.873 1.00 0.00 C ATOM 362 ND1 HIS A 31 -7.390 -11.023 -4.376 1.00 0.00 N ATOM 363 CD2 HIS A 31 -9.485 -10.512 -4.657 1.00 0.00 C ATOM 364 CE1 HIS A 31 -8.133 -12.015 -3.887 1.00 0.00 C ATOM 365 NE2 HIS A 31 -9.417 -11.752 -4.030 1.00 0.00 N ATOM 0 H HIS A 31 -6.654 -8.971 -3.200 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.954 -6.873 -5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.559 -8.434 -6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.902 -9.001 -6.140 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.396 -9.999 -4.928 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.737 -12.912 -3.435 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -10.200 -12.338 -3.740 1.00 0.00 H new ATOM 373 N LEU A 32 -8.737 -7.254 -2.636 1.00 0.00 N ATOM 374 CA LEU A 32 -9.642 -6.628 -1.710 1.00 0.00 C ATOM 375 C LEU A 32 -8.784 -6.331 -0.504 1.00 0.00 C ATOM 376 O LEU A 32 -7.840 -7.084 -0.249 1.00 0.00 O ATOM 377 CB LEU A 32 -10.782 -7.554 -1.236 1.00 0.00 C ATOM 378 CG LEU A 32 -12.030 -7.722 -2.105 1.00 0.00 C ATOM 379 CD1 LEU A 32 -11.747 -8.388 -3.432 1.00 0.00 C ATOM 380 CD2 LEU A 32 -13.090 -8.494 -1.338 1.00 0.00 C ATOM 0 H LEU A 32 -8.188 -7.996 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.113 -5.767 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.355 -8.545 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.110 -7.195 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.394 -6.721 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.673 -8.477 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.033 -7.788 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.331 -9.380 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.977 -8.611 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.702 -9.477 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.353 -7.949 -0.432 1.00 0.00 H new ATOM 392 N PRO A 33 -9.071 -5.279 0.270 1.00 0.00 N ATOM 393 CA PRO A 33 -8.329 -5.003 1.509 1.00 0.00 C ATOM 394 C PRO A 33 -8.608 -6.084 2.566 1.00 0.00 C ATOM 395 O PRO A 33 -8.006 -6.118 3.627 1.00 0.00 O ATOM 396 CB PRO A 33 -8.862 -3.643 1.963 1.00 0.00 C ATOM 397 CG PRO A 33 -10.174 -3.485 1.275 1.00 0.00 C ATOM 398 CD PRO A 33 -10.077 -4.238 -0.019 1.00 0.00 C ATOM 0 HA PRO A 33 -7.249 -5.001 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.979 -3.608 3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.176 -2.841 1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.983 -3.877 1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.392 -2.432 1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.035 -4.672 -0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.763 -3.591 -0.838 1.00 0.00 H new ATOM 406 N ALA A 34 -9.545 -6.965 2.252 1.00 0.00 N ATOM 407 CA ALA A 34 -9.884 -8.084 3.105 1.00 0.00 C ATOM 408 C ALA A 34 -9.007 -9.293 2.774 1.00 0.00 C ATOM 409 O ALA A 34 -8.763 -10.141 3.627 1.00 0.00 O ATOM 410 CB ALA A 34 -11.355 -8.438 2.943 1.00 0.00 C ATOM 0 H ALA A 34 -10.092 -6.920 1.393 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.703 -7.800 4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.600 -9.281 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.968 -7.580 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.552 -8.707 1.905 1.00 0.00 H new ATOM 416 N THR A 35 -8.503 -9.348 1.546 1.00 0.00 N ATOM 417 CA THR A 35 -7.704 -10.476 1.085 1.00 0.00 C ATOM 418 C THR A 35 -6.228 -10.098 0.984 1.00 0.00 C ATOM 419 O THR A 35 -5.449 -10.752 0.289 1.00 0.00 O ATOM 420 CB THR A 35 -8.233 -10.996 -0.278 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.452 -9.910 -1.200 1.00 0.00 O ATOM 422 CG2 THR A 35 -9.527 -11.773 -0.105 1.00 0.00 C ATOM 0 H THR A 35 -8.636 -8.617 0.847 1.00 0.00 H new ATOM 0 HA THR A 35 -7.794 -11.277 1.818 1.00 0.00 H new ATOM 0 HB THR A 35 -7.470 -11.660 -0.684 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.930 -10.242 -1.989 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.873 -12.124 -1.077 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.354 -12.627 0.549 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.284 -11.125 0.337 1.00 0.00 H new ATOM 430 N ARG A 36 -5.866 -9.049 1.710 1.00 0.00 N ATOM 431 CA ARG A 36 -4.507 -8.527 1.750 1.00 0.00 C ATOM 432 C ARG A 36 -3.554 -9.513 2.446 1.00 0.00 C ATOM 433 O ARG A 36 -3.814 -9.973 3.561 1.00 0.00 O ATOM 434 CB ARG A 36 -4.480 -7.151 2.452 1.00 0.00 C ATOM 435 CG ARG A 36 -4.975 -7.169 3.894 1.00 0.00 C ATOM 436 CD ARG A 36 -4.860 -5.817 4.584 1.00 0.00 C ATOM 437 NE ARG A 36 -5.329 -5.922 5.968 1.00 0.00 N ATOM 438 CZ ARG A 36 -5.052 -5.087 6.971 1.00 0.00 C ATOM 439 NH1 ARG A 36 -4.404 -3.945 6.758 1.00 0.00 N ATOM 440 NH2 ARG A 36 -5.481 -5.392 8.195 1.00 0.00 N ATOM 0 H ARG A 36 -6.518 -8.529 2.297 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.162 -8.400 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.459 -6.769 2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.091 -6.453 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.016 -7.490 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.405 -7.907 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.825 -5.477 4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.449 -5.073 4.047 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.930 -6.716 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.109 -3.694 5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.202 -3.320 7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.010 -6.250 8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.280 -4.768 8.976 1.00 0.00 H new ATOM 454 N VAL A 37 -2.484 -9.865 1.770 1.00 0.00 N ATOM 455 CA VAL A 37 -1.461 -10.750 2.311 1.00 0.00 C ATOM 456 C VAL A 37 -0.205 -9.920 2.542 1.00 0.00 C ATOM 457 O VAL A 37 0.221 -9.204 1.638 1.00 0.00 O ATOM 458 CB VAL A 37 -1.128 -11.900 1.327 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.115 -12.864 1.924 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.384 -12.646 0.897 1.00 0.00 C ATOM 0 H VAL A 37 -2.292 -9.546 0.821 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.826 -11.194 3.237 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.684 -11.446 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.097 -13.659 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.806 -12.328 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.520 -13.298 2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.114 -13.446 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.872 -13.072 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.066 -11.955 0.402 1.00 0.00 H new ATOM 470 N LEU A 38 0.368 -10.005 3.732 1.00 0.00 N ATOM 471 CA LEU A 38 1.551 -9.228 4.104 1.00 0.00 C ATOM 472 C LEU A 38 2.747 -9.703 3.276 1.00 0.00 C ATOM 473 O LEU A 38 3.205 -10.840 3.420 1.00 0.00 O ATOM 474 CB LEU A 38 1.802 -9.382 5.629 1.00 0.00 C ATOM 475 CG LEU A 38 2.844 -8.479 6.343 1.00 0.00 C ATOM 476 CD1 LEU A 38 4.284 -8.749 5.929 1.00 0.00 C ATOM 477 CD2 LEU A 38 2.509 -7.014 6.158 1.00 0.00 C ATOM 0 H LEU A 38 0.028 -10.616 4.474 1.00 0.00 H new ATOM 0 HA LEU A 38 1.399 -8.169 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.846 -9.232 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.096 -10.417 5.806 1.00 0.00 H new ATOM 0 HG LEU A 38 2.778 -8.737 7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.950 -8.078 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.542 -9.782 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.392 -8.580 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.254 -6.403 6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.507 -6.773 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.524 -6.810 6.578 1.00 0.00 H new ATOM 489 N LEU A 39 3.200 -8.863 2.371 1.00 0.00 N ATOM 490 CA LEU A 39 4.339 -9.191 1.538 1.00 0.00 C ATOM 491 C LEU A 39 5.641 -8.718 2.164 1.00 0.00 C ATOM 492 O LEU A 39 6.514 -9.524 2.484 1.00 0.00 O ATOM 493 CB LEU A 39 4.173 -8.576 0.148 1.00 0.00 C ATOM 494 CG LEU A 39 2.942 -9.031 -0.630 1.00 0.00 C ATOM 495 CD1 LEU A 39 2.845 -8.299 -1.950 1.00 0.00 C ATOM 496 CD2 LEU A 39 2.990 -10.526 -0.859 1.00 0.00 C ATOM 0 H LEU A 39 2.796 -7.944 2.192 1.00 0.00 H new ATOM 0 HA LEU A 39 4.383 -10.276 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.135 -7.492 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.060 -8.809 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 39 2.055 -8.795 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.961 -8.638 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.770 -7.227 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.734 -8.504 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.106 -10.837 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.884 -10.778 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.014 -11.041 0.102 1.00 0.00 H new ATOM 508 N MET A 40 5.751 -7.412 2.364 1.00 0.00 N ATOM 509 CA MET A 40 6.951 -6.800 2.874 1.00 0.00 C ATOM 510 C MET A 40 6.665 -5.379 3.353 1.00 0.00 C ATOM 511 O MET A 40 5.739 -4.724 2.858 1.00 0.00 O ATOM 512 CB MET A 40 7.968 -6.739 1.735 1.00 0.00 C ATOM 513 CG MET A 40 9.336 -6.339 2.202 1.00 0.00 C ATOM 514 SD MET A 40 10.607 -6.368 0.918 1.00 0.00 S ATOM 515 CE MET A 40 10.560 -8.091 0.422 1.00 0.00 C ATOM 0 H MET A 40 4.999 -6.750 2.173 1.00 0.00 H new ATOM 0 HA MET A 40 7.330 -7.383 3.713 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.024 -7.714 1.251 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.623 -6.029 0.983 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.283 -5.334 2.620 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.639 -7.005 3.010 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.574 -8.443 0.232 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.112 -8.687 1.218 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.965 -8.192 -0.486 1.00 0.00 H new ATOM 525 N TYR A 41 7.446 -4.926 4.316 1.00 0.00 N ATOM 526 CA TYR A 41 7.399 -3.560 4.812 1.00 0.00 C ATOM 527 C TYR A 41 8.481 -2.771 4.088 1.00 0.00 C ATOM 528 O TYR A 41 9.614 -3.237 3.972 1.00 0.00 O ATOM 529 CB TYR A 41 7.685 -3.505 6.323 1.00 0.00 C ATOM 530 CG TYR A 41 6.660 -4.171 7.215 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.660 -3.427 7.823 1.00 0.00 C ATOM 532 CD2 TYR A 41 6.696 -5.535 7.454 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.722 -4.027 8.639 1.00 0.00 C ATOM 534 CE2 TYR A 41 5.763 -6.144 8.269 1.00 0.00 C ATOM 535 CZ TYR A 41 4.779 -5.384 8.858 1.00 0.00 C ATOM 536 OH TYR A 41 3.840 -5.983 9.663 1.00 0.00 O ATOM 0 H TYR A 41 8.143 -5.505 4.784 1.00 0.00 H new ATOM 0 HA TYR A 41 6.406 -3.148 4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.654 -3.969 6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.771 -2.459 6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.614 -2.361 7.655 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.469 -6.133 6.994 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.948 -3.434 9.103 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.805 -7.209 8.443 1.00 0.00 H new ATOM 0 HH TYR A 41 4.019 -6.945 9.715 1.00 0.00 H new ATOM 546 N VAL A 42 8.135 -1.626 3.552 1.00 0.00 N ATOM 547 CA VAL A 42 9.094 -0.781 2.869 1.00 0.00 C ATOM 548 C VAL A 42 9.097 0.580 3.530 1.00 0.00 C ATOM 549 O VAL A 42 8.133 1.324 3.418 1.00 0.00 O ATOM 550 CB VAL A 42 8.745 -0.596 1.383 1.00 0.00 C ATOM 551 CG1 VAL A 42 9.876 0.107 0.642 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.431 -1.926 0.753 1.00 0.00 C ATOM 0 H VAL A 42 7.186 -1.252 3.575 1.00 0.00 H new ATOM 0 HA VAL A 42 10.070 -1.262 2.933 1.00 0.00 H new ATOM 0 HB VAL A 42 7.860 0.036 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.605 0.226 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.048 1.088 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.786 -0.489 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.185 -1.781 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.298 -2.582 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.582 -2.380 1.265 1.00 0.00 H new ATOM 562 N ARG A 43 10.158 0.897 4.224 1.00 0.00 N ATOM 563 CA ARG A 43 10.289 2.156 4.907 1.00 0.00 C ATOM 564 C ARG A 43 10.371 3.254 3.849 1.00 0.00 C ATOM 565 O ARG A 43 11.003 3.069 2.807 1.00 0.00 O ATOM 566 CB ARG A 43 11.540 2.059 5.789 1.00 0.00 C ATOM 567 CG ARG A 43 11.759 3.135 6.841 1.00 0.00 C ATOM 568 CD ARG A 43 12.197 4.461 6.275 1.00 0.00 C ATOM 569 NE ARG A 43 12.576 5.383 7.338 1.00 0.00 N ATOM 570 CZ ARG A 43 13.192 6.549 7.164 1.00 0.00 C ATOM 571 NH1 ARG A 43 13.341 7.056 5.944 1.00 0.00 N ATOM 572 NH2 ARG A 43 13.632 7.229 8.212 1.00 0.00 N ATOM 0 H ARG A 43 10.964 0.281 4.332 1.00 0.00 H new ATOM 0 HA ARG A 43 9.443 2.395 5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.516 1.095 6.298 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.411 2.051 5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.834 3.277 7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.510 2.788 7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.040 4.312 5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.389 4.893 5.685 1.00 0.00 H new ATOM 0 HE ARG A 43 12.350 5.112 8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.982 6.550 5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.814 7.951 5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.499 6.859 9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.104 8.123 8.078 1.00 0.00 H new ATOM 586 N ILE A 44 9.701 4.357 4.102 1.00 0.00 N ATOM 587 CA ILE A 44 9.664 5.476 3.133 1.00 0.00 C ATOM 588 C ILE A 44 11.073 5.986 2.860 1.00 0.00 C ATOM 589 O ILE A 44 11.814 6.351 3.778 1.00 0.00 O ATOM 590 CB ILE A 44 8.831 6.689 3.595 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.475 6.274 4.125 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.653 7.701 2.460 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.460 5.693 3.184 1.00 0.00 C ATOM 0 H ILE A 44 9.172 4.521 4.959 1.00 0.00 H new ATOM 0 HA ILE A 44 9.193 5.056 2.244 1.00 0.00 H new ATOM 0 HB ILE A 44 9.386 7.159 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.643 5.543 4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.024 7.150 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.062 8.545 2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.630 8.055 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.140 7.224 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.550 5.453 3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.232 6.417 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.860 4.785 2.732 1.00 0.00 H new ATOM 605 N GLY A 45 11.430 5.968 1.612 1.00 0.00 N ATOM 606 CA GLY A 45 12.722 6.434 1.168 1.00 0.00 C ATOM 607 C GLY A 45 13.597 5.269 0.803 1.00 0.00 C ATOM 608 O GLY A 45 14.662 5.421 0.212 1.00 0.00 O ATOM 0 H GLY A 45 10.831 5.627 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.603 7.092 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.195 7.021 1.955 1.00 0.00 H new ATOM 612 N ASN A 46 13.132 4.096 1.155 1.00 0.00 N ATOM 613 CA ASN A 46 13.843 2.867 0.904 1.00 0.00 C ATOM 614 C ASN A 46 13.191 2.133 -0.241 1.00 0.00 C ATOM 615 O ASN A 46 12.012 2.350 -0.565 1.00 0.00 O ATOM 616 CB ASN A 46 13.857 2.027 2.174 1.00 0.00 C ATOM 617 CG ASN A 46 14.559 0.675 2.090 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.502 0.496 1.318 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.143 -0.273 2.902 1.00 0.00 N ATOM 0 H ASN A 46 12.238 3.966 1.630 1.00 0.00 H new ATOM 0 HA ASN A 46 14.875 3.076 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.333 2.610 2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.825 1.857 2.482 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.604 -1.183 2.902 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.360 -0.098 3.531 1.00 0.00 H new ATOM 626 N THR A 47 13.959 1.293 -0.849 1.00 0.00 N ATOM 627 CA THR A 47 13.526 0.506 -1.959 1.00 0.00 C ATOM 628 C THR A 47 13.333 -0.921 -1.526 1.00 0.00 C ATOM 629 O THR A 47 13.987 -1.385 -0.591 1.00 0.00 O ATOM 630 CB THR A 47 14.573 0.493 -3.067 1.00 0.00 C ATOM 631 OG1 THR A 47 15.857 0.142 -2.503 1.00 0.00 O ATOM 632 CG2 THR A 47 14.667 1.822 -3.792 1.00 0.00 C ATOM 0 H THR A 47 14.930 1.129 -0.583 1.00 0.00 H new ATOM 0 HA THR A 47 12.597 0.944 -2.324 1.00 0.00 H new ATOM 0 HB THR A 47 14.269 -0.249 -3.805 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.534 0.131 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.427 1.759 -4.571 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.704 2.059 -4.243 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.938 2.605 -3.083 1.00 0.00 H new ATOM 640 N ALA A 48 12.472 -1.610 -2.201 1.00 0.00 N ATOM 641 CA ALA A 48 12.266 -3.015 -1.897 1.00 0.00 C ATOM 642 C ALA A 48 11.879 -3.806 -3.124 1.00 0.00 C ATOM 643 O ALA A 48 11.209 -3.294 -4.008 1.00 0.00 O ATOM 644 CB ALA A 48 11.223 -3.188 -0.816 1.00 0.00 C ATOM 0 H ALA A 48 11.899 -1.242 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 48 13.217 -3.405 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.088 -4.249 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.550 -2.679 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.278 -2.761 -1.151 1.00 0.00 H new ATOM 650 N THR A 49 12.330 -5.035 -3.181 1.00 0.00 N ATOM 651 CA THR A 49 11.980 -5.943 -4.237 1.00 0.00 C ATOM 652 C THR A 49 10.921 -6.881 -3.695 1.00 0.00 C ATOM 653 O THR A 49 11.193 -7.710 -2.829 1.00 0.00 O ATOM 654 CB THR A 49 13.207 -6.733 -4.708 1.00 0.00 C ATOM 655 OG1 THR A 49 14.225 -5.791 -5.068 1.00 0.00 O ATOM 656 CG2 THR A 49 12.864 -7.586 -5.922 1.00 0.00 C ATOM 0 H THR A 49 12.959 -5.435 -2.484 1.00 0.00 H new ATOM 0 HA THR A 49 11.602 -5.393 -5.099 1.00 0.00 H new ATOM 0 HB THR A 49 13.546 -7.393 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.023 -6.272 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.748 -8.138 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.072 -8.288 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.526 -6.943 -6.735 1.00 0.00 H new ATOM 664 N ILE A 50 9.717 -6.707 -4.159 1.00 0.00 N ATOM 665 CA ILE A 50 8.605 -7.472 -3.666 1.00 0.00 C ATOM 666 C ILE A 50 8.365 -8.636 -4.581 1.00 0.00 C ATOM 667 O ILE A 50 7.961 -8.440 -5.714 1.00 0.00 O ATOM 668 CB ILE A 50 7.304 -6.634 -3.714 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.517 -5.208 -3.202 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.190 -7.323 -2.936 1.00 0.00 C ATOM 671 CD1 ILE A 50 7.984 -5.119 -1.776 1.00 0.00 C ATOM 0 H ILE A 50 9.478 -6.034 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 50 8.839 -7.780 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 50 7.008 -6.561 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.247 -4.712 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.581 -4.657 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.285 -6.717 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.994 -8.303 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.493 -7.443 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.108 -4.072 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.246 -5.583 -1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.937 -5.638 -1.672 1.00 0.00 H new ATOM 683 N THR A 51 8.640 -9.821 -4.136 1.00 0.00 N ATOM 684 CA THR A 51 8.221 -10.950 -4.908 1.00 0.00 C ATOM 685 C THR A 51 6.823 -11.303 -4.433 1.00 0.00 C ATOM 686 O THR A 51 6.584 -11.471 -3.237 1.00 0.00 O ATOM 687 CB THR A 51 9.196 -12.154 -4.797 1.00 0.00 C ATOM 688 OG1 THR A 51 10.448 -11.812 -5.420 1.00 0.00 O ATOM 689 CG2 THR A 51 8.636 -13.402 -5.474 1.00 0.00 C ATOM 0 H THR A 51 9.137 -10.031 -3.270 1.00 0.00 H new ATOM 0 HA THR A 51 8.221 -10.699 -5.969 1.00 0.00 H new ATOM 0 HB THR A 51 9.336 -12.372 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.458 -12.148 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.348 -14.221 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.694 -13.681 -5.002 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.465 -13.197 -6.531 1.00 0.00 H new ATOM 697 N ALA A 52 5.908 -11.336 -5.361 1.00 0.00 N ATOM 698 CA ALA A 52 4.549 -11.701 -5.098 1.00 0.00 C ATOM 699 C ALA A 52 4.064 -12.461 -6.299 1.00 0.00 C ATOM 700 O ALA A 52 4.216 -11.988 -7.425 1.00 0.00 O ATOM 701 CB ALA A 52 3.697 -10.469 -4.856 1.00 0.00 C ATOM 0 H ALA A 52 6.091 -11.106 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 52 4.478 -12.313 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.668 -10.771 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.086 -9.921 -3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.724 -9.829 -5.738 1.00 0.00 H new ATOM 707 N ARG A 53 3.600 -13.681 -6.068 1.00 0.00 N ATOM 708 CA ARG A 53 3.069 -14.569 -7.110 1.00 0.00 C ATOM 709 C ARG A 53 4.182 -14.988 -8.064 1.00 0.00 C ATOM 710 O ARG A 53 3.945 -15.463 -9.172 1.00 0.00 O ATOM 711 CB ARG A 53 1.899 -13.916 -7.866 1.00 0.00 C ATOM 712 CG ARG A 53 0.778 -13.449 -6.955 1.00 0.00 C ATOM 713 CD ARG A 53 -0.313 -12.735 -7.723 1.00 0.00 C ATOM 714 NE ARG A 53 -1.321 -12.172 -6.825 1.00 0.00 N ATOM 715 CZ ARG A 53 -2.574 -11.863 -7.157 1.00 0.00 C ATOM 716 NH1 ARG A 53 -3.028 -12.087 -8.386 1.00 0.00 N ATOM 717 NH2 ARG A 53 -3.367 -11.310 -6.260 1.00 0.00 N ATOM 0 H ARG A 53 3.579 -14.095 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 53 2.676 -15.464 -6.627 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.273 -13.065 -8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.498 -14.629 -8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.353 -14.307 -6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.183 -12.782 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.126 -11.939 -8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.788 -13.431 -8.414 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.040 -12.001 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.415 -12.500 -9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.989 -11.846 -8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.020 -11.122 -5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.327 -11.071 -6.507 1.00 0.00 H new ATOM 731 N GLY A 54 5.398 -14.857 -7.580 1.00 0.00 N ATOM 732 CA GLY A 54 6.572 -15.189 -8.355 1.00 0.00 C ATOM 733 C GLY A 54 7.068 -14.028 -9.206 1.00 0.00 C ATOM 734 O GLY A 54 7.986 -14.194 -10.019 1.00 0.00 O ATOM 0 H GLY A 54 5.600 -14.518 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.368 -15.505 -7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.346 -16.037 -9.002 1.00 0.00 H new ATOM 738 N HIS A 55 6.474 -12.861 -9.036 1.00 0.00 N ATOM 739 CA HIS A 55 6.873 -11.675 -9.791 1.00 0.00 C ATOM 740 C HIS A 55 7.496 -10.662 -8.844 1.00 0.00 C ATOM 741 O HIS A 55 6.971 -10.439 -7.759 1.00 0.00 O ATOM 742 CB HIS A 55 5.673 -11.037 -10.518 1.00 0.00 C ATOM 743 CG HIS A 55 5.032 -11.904 -11.570 1.00 0.00 C ATOM 744 ND1 HIS A 55 5.163 -11.697 -12.927 1.00 0.00 N ATOM 745 CD2 HIS A 55 4.228 -12.988 -11.439 1.00 0.00 C ATOM 746 CE1 HIS A 55 4.454 -12.637 -13.561 1.00 0.00 C ATOM 747 NE2 HIS A 55 3.866 -13.451 -12.701 1.00 0.00 N ATOM 0 H HIS A 55 5.709 -12.703 -8.380 1.00 0.00 H new ATOM 0 HA HIS A 55 7.598 -11.979 -10.546 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.918 -10.772 -9.778 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.002 -10.109 -10.985 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.917 -13.424 -10.501 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.372 -12.720 -14.635 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.271 -14.251 -12.917 1.00 0.00 H new ATOM 755 N GLU A 56 8.625 -10.098 -9.237 1.00 0.00 N ATOM 756 CA GLU A 56 9.336 -9.104 -8.462 1.00 0.00 C ATOM 757 C GLU A 56 8.905 -7.713 -8.843 1.00 0.00 C ATOM 758 O GLU A 56 8.857 -7.367 -10.030 1.00 0.00 O ATOM 759 CB GLU A 56 10.852 -9.179 -8.684 1.00 0.00 C ATOM 760 CG GLU A 56 11.535 -10.413 -8.150 1.00 0.00 C ATOM 761 CD GLU A 56 11.098 -11.684 -8.807 1.00 0.00 C ATOM 762 OE1 GLU A 56 11.409 -11.886 -9.998 1.00 0.00 O ATOM 763 OE2 GLU A 56 10.441 -12.498 -8.137 1.00 0.00 O ATOM 0 H GLU A 56 9.079 -10.325 -10.122 1.00 0.00 H new ATOM 0 HA GLU A 56 9.101 -9.314 -7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.047 -9.114 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.311 -8.305 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.612 -10.303 -8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.345 -10.486 -7.079 1.00 0.00 H new ATOM 770 N PHE A 57 8.580 -6.929 -7.857 1.00 0.00 N ATOM 771 CA PHE A 57 8.256 -5.560 -8.049 1.00 0.00 C ATOM 772 C PHE A 57 9.243 -4.774 -7.238 1.00 0.00 C ATOM 773 O PHE A 57 9.151 -4.754 -6.017 1.00 0.00 O ATOM 774 CB PHE A 57 6.842 -5.295 -7.540 1.00 0.00 C ATOM 775 CG PHE A 57 5.791 -6.146 -8.184 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.253 -5.801 -9.410 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.344 -7.292 -7.554 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.287 -6.589 -9.994 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.383 -8.080 -8.132 1.00 0.00 C ATOM 780 CZ PHE A 57 3.852 -7.730 -9.352 1.00 0.00 C ATOM 0 H PHE A 57 8.534 -7.235 -6.885 1.00 0.00 H new ATOM 0 HA PHE A 57 8.298 -5.282 -9.102 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.818 -5.460 -6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.598 -4.246 -7.707 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.593 -4.908 -9.913 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.757 -7.570 -6.595 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.871 -6.315 -10.952 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.043 -8.974 -7.631 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.094 -8.349 -9.808 1.00 0.00 H new ATOM 790 N GLU A 58 10.228 -4.198 -7.871 1.00 0.00 N ATOM 791 CA GLU A 58 11.147 -3.410 -7.120 1.00 0.00 C ATOM 792 C GLU A 58 10.584 -2.021 -7.104 1.00 0.00 C ATOM 793 O GLU A 58 10.419 -1.394 -8.142 1.00 0.00 O ATOM 794 CB GLU A 58 12.571 -3.437 -7.657 1.00 0.00 C ATOM 795 CG GLU A 58 13.516 -2.726 -6.727 1.00 0.00 C ATOM 796 CD GLU A 58 14.913 -2.598 -7.255 1.00 0.00 C ATOM 797 OE1 GLU A 58 15.126 -1.807 -8.195 1.00 0.00 O ATOM 798 OE2 GLU A 58 15.835 -3.245 -6.711 1.00 0.00 O ATOM 0 H GLU A 58 10.407 -4.259 -8.873 1.00 0.00 H new ATOM 0 HA GLU A 58 11.245 -3.821 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.894 -4.470 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.601 -2.967 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.125 -1.730 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.545 -3.261 -5.778 1.00 0.00 H new ATOM 805 N VAL A 59 10.237 -1.588 -5.938 1.00 0.00 N ATOM 806 CA VAL A 59 9.604 -0.315 -5.719 1.00 0.00 C ATOM 807 C VAL A 59 10.453 0.526 -4.826 1.00 0.00 C ATOM 808 O VAL A 59 11.417 0.050 -4.208 1.00 0.00 O ATOM 809 CB VAL A 59 8.250 -0.490 -4.998 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.257 -1.236 -5.839 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.458 -1.237 -3.715 1.00 0.00 C ATOM 0 H VAL A 59 10.387 -2.120 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 59 9.463 0.149 -6.695 1.00 0.00 H new ATOM 0 HB VAL A 59 7.851 0.506 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.319 -1.336 -5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.081 -0.689 -6.765 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.648 -2.226 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.502 -1.360 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.884 -2.217 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.140 -0.678 -3.075 1.00 0.00 H new ATOM 821 N GLU A 60 10.077 1.754 -4.754 1.00 0.00 N ATOM 822 CA GLU A 60 10.665 2.665 -3.838 1.00 0.00 C ATOM 823 C GLU A 60 9.503 3.292 -3.118 1.00 0.00 C ATOM 824 O GLU A 60 8.550 3.738 -3.760 1.00 0.00 O ATOM 825 CB GLU A 60 11.514 3.723 -4.546 1.00 0.00 C ATOM 826 CG GLU A 60 12.293 4.604 -3.578 1.00 0.00 C ATOM 827 CD GLU A 60 13.176 5.609 -4.272 1.00 0.00 C ATOM 828 OE1 GLU A 60 14.249 5.238 -4.783 1.00 0.00 O ATOM 829 OE2 GLU A 60 12.839 6.805 -4.305 1.00 0.00 O ATOM 0 H GLU A 60 9.344 2.159 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 60 11.349 2.160 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.212 3.229 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.867 4.350 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.592 5.131 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.907 3.973 -2.935 1.00 0.00 H new ATOM 836 N ALA A 61 9.534 3.268 -1.812 1.00 0.00 N ATOM 837 CA ALA A 61 8.474 3.912 -1.054 1.00 0.00 C ATOM 838 C ALA A 61 8.723 5.411 -1.093 1.00 0.00 C ATOM 839 O ALA A 61 9.505 5.948 -0.318 1.00 0.00 O ATOM 840 CB ALA A 61 8.407 3.390 0.368 1.00 0.00 C ATOM 0 H ALA A 61 10.261 2.822 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 61 7.506 3.685 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.603 3.895 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.215 2.317 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.355 3.582 0.871 1.00 0.00 H new ATOM 846 N LYS A 62 8.109 6.037 -2.079 1.00 0.00 N ATOM 847 CA LYS A 62 8.299 7.441 -2.393 1.00 0.00 C ATOM 848 C LYS A 62 7.643 8.355 -1.379 1.00 0.00 C ATOM 849 O LYS A 62 8.287 9.225 -0.791 1.00 0.00 O ATOM 850 CB LYS A 62 7.662 7.746 -3.750 1.00 0.00 C ATOM 851 CG LYS A 62 8.079 6.839 -4.901 1.00 0.00 C ATOM 852 CD LYS A 62 9.568 6.898 -5.232 1.00 0.00 C ATOM 853 CE LYS A 62 10.024 8.290 -5.635 1.00 0.00 C ATOM 854 NZ LYS A 62 11.464 8.325 -5.966 1.00 0.00 N ATOM 0 H LYS A 62 7.447 5.571 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 62 9.374 7.622 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.579 7.689 -3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.901 8.775 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.813 5.811 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.509 7.112 -5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.142 6.569 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.784 6.201 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.446 8.626 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.821 8.988 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.780 9.313 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.004 7.842 -5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.623 7.845 -6.875 1.00 0.00 H new ATOM 868 N ASP A 63 6.368 8.141 -1.180 1.00 0.00 N ATOM 869 CA ASP A 63 5.537 9.013 -0.378 1.00 0.00 C ATOM 870 C ASP A 63 4.756 8.149 0.595 1.00 0.00 C ATOM 871 O ASP A 63 4.568 6.966 0.319 1.00 0.00 O ATOM 872 CB ASP A 63 4.584 9.741 -1.334 1.00 0.00 C ATOM 873 CG ASP A 63 3.728 10.784 -0.673 1.00 0.00 C ATOM 874 OD1 ASP A 63 4.030 11.985 -0.802 1.00 0.00 O ATOM 875 OD2 ASP A 63 2.744 10.433 -0.031 1.00 0.00 O ATOM 0 H ASP A 63 5.867 7.345 -1.575 1.00 0.00 H new ATOM 0 HA ASP A 63 6.124 9.741 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.169 10.214 -2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.937 9.007 -1.814 1.00 0.00 H new ATOM 880 N GLN A 64 4.257 8.727 1.687 1.00 0.00 N ATOM 881 CA GLN A 64 3.568 7.940 2.710 1.00 0.00 C ATOM 882 C GLN A 64 2.114 7.689 2.337 1.00 0.00 C ATOM 883 O GLN A 64 1.356 7.095 3.106 1.00 0.00 O ATOM 884 CB GLN A 64 3.659 8.570 4.099 1.00 0.00 C ATOM 885 CG GLN A 64 5.059 9.032 4.463 1.00 0.00 C ATOM 886 CD GLN A 64 5.265 9.286 5.944 1.00 0.00 C ATOM 887 OE1 GLN A 64 4.663 8.632 6.797 1.00 0.00 O ATOM 888 NE2 GLN A 64 6.117 10.235 6.265 1.00 0.00 N ATOM 0 H GLN A 64 4.315 9.726 1.885 1.00 0.00 H new ATOM 0 HA GLN A 64 4.086 6.982 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.980 9.421 4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.319 7.847 4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.775 8.280 4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.281 9.947 3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.598 10.757 5.533 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.296 10.449 7.246 1.00 0.00 H new ATOM 897 N ASN A 65 1.718 8.157 1.158 1.00 0.00 N ATOM 898 CA ASN A 65 0.393 7.861 0.608 1.00 0.00 C ATOM 899 C ASN A 65 0.376 6.436 0.092 1.00 0.00 C ATOM 900 O ASN A 65 -0.677 5.854 -0.168 1.00 0.00 O ATOM 901 CB ASN A 65 -0.039 8.869 -0.466 1.00 0.00 C ATOM 902 CG ASN A 65 -0.597 10.152 0.130 1.00 0.00 C ATOM 903 OD1 ASN A 65 -1.804 10.278 0.323 1.00 0.00 O ATOM 904 ND2 ASN A 65 0.251 11.104 0.443 1.00 0.00 N ATOM 0 H ASN A 65 2.297 8.746 0.560 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.342 7.959 1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.815 9.108 -1.100 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.793 8.412 -1.106 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.087 11.973 0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.248 10.975 0.273 1.00 0.00 H new ATOM 911 N CYS A 66 1.573 5.891 -0.047 1.00 0.00 N ATOM 912 CA CYS A 66 1.807 4.501 -0.364 1.00 0.00 C ATOM 913 C CYS A 66 1.207 4.006 -1.669 1.00 0.00 C ATOM 914 O CYS A 66 0.570 2.953 -1.723 1.00 0.00 O ATOM 915 CB CYS A 66 1.420 3.623 0.818 1.00 0.00 C ATOM 916 SG CYS A 66 2.419 3.978 2.298 1.00 0.00 S ATOM 0 H CYS A 66 2.434 6.426 0.062 1.00 0.00 H new ATOM 0 HA CYS A 66 2.879 4.422 -0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.365 3.773 1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.540 2.575 0.544 1.00 0.00 H new ATOM 921 N LYS A 67 1.352 4.789 -2.706 1.00 0.00 N ATOM 922 CA LYS A 67 1.084 4.296 -4.026 1.00 0.00 C ATOM 923 C LYS A 67 2.266 3.491 -4.464 1.00 0.00 C ATOM 924 O LYS A 67 3.391 3.702 -3.998 1.00 0.00 O ATOM 925 CB LYS A 67 0.815 5.407 -5.019 1.00 0.00 C ATOM 926 CG LYS A 67 -0.588 5.901 -5.074 1.00 0.00 C ATOM 927 CD LYS A 67 -0.992 6.390 -3.714 1.00 0.00 C ATOM 928 CE LYS A 67 -2.258 7.174 -3.781 1.00 0.00 C ATOM 929 NZ LYS A 67 -3.412 6.421 -4.337 1.00 0.00 N ATOM 0 H LYS A 67 1.652 5.763 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 67 0.181 3.687 -3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.467 6.247 -4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.096 5.057 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.674 6.706 -5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.255 5.103 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.121 5.541 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.198 7.009 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.512 7.519 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.090 8.062 -4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.277 6.991 -4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.241 6.217 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.527 5.528 -3.817 1.00 0.00 H new ATOM 943 N VAL A 68 2.017 2.594 -5.346 1.00 0.00 N ATOM 944 CA VAL A 68 3.066 1.725 -5.803 1.00 0.00 C ATOM 945 C VAL A 68 3.795 2.295 -7.011 1.00 0.00 C ATOM 946 O VAL A 68 3.286 2.302 -8.146 1.00 0.00 O ATOM 947 CB VAL A 68 2.630 0.247 -5.997 1.00 0.00 C ATOM 948 CG1 VAL A 68 1.407 0.112 -6.901 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.798 -0.568 -6.539 1.00 0.00 C ATOM 0 H VAL A 68 1.104 2.433 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 68 3.788 1.687 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 68 2.338 -0.142 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.145 -0.941 -7.003 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.569 0.654 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.633 0.526 -7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.487 -1.604 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.115 -0.157 -7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.629 -0.527 -5.834 1.00 0.00 H new ATOM 959 N ILE A 69 4.963 2.826 -6.747 1.00 0.00 N ATOM 960 CA ILE A 69 5.811 3.324 -7.793 1.00 0.00 C ATOM 961 C ILE A 69 7.001 2.396 -7.841 1.00 0.00 C ATOM 962 O ILE A 69 7.723 2.248 -6.844 1.00 0.00 O ATOM 963 CB ILE A 69 6.300 4.799 -7.592 1.00 0.00 C ATOM 964 CG1 ILE A 69 5.150 5.821 -7.614 1.00 0.00 C ATOM 965 CG2 ILE A 69 7.327 5.193 -8.647 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.322 5.913 -6.351 1.00 0.00 C ATOM 0 H ILE A 69 5.348 2.923 -5.807 1.00 0.00 H new ATOM 0 HA ILE A 69 5.238 3.347 -8.720 1.00 0.00 H new ATOM 0 HB ILE A 69 6.757 4.821 -6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.569 6.805 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.487 5.574 -8.443 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.645 6.222 -8.479 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.190 4.531 -8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.881 5.109 -9.638 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.542 6.664 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.864 4.946 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.963 6.196 -5.516 1.00 0.00 H new ATOM 978 N LEU A 70 7.188 1.746 -8.965 1.00 0.00 N ATOM 979 CA LEU A 70 8.299 0.859 -9.137 1.00 0.00 C ATOM 980 C LEU A 70 9.531 1.678 -9.364 1.00 0.00 C ATOM 981 O LEU A 70 9.450 2.839 -9.765 1.00 0.00 O ATOM 982 CB LEU A 70 8.118 -0.086 -10.327 1.00 0.00 C ATOM 983 CG LEU A 70 7.070 -1.195 -10.238 1.00 0.00 C ATOM 984 CD1 LEU A 70 7.364 -2.170 -9.140 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.677 -0.658 -10.129 1.00 0.00 C ATOM 0 H LEU A 70 6.575 1.820 -9.777 1.00 0.00 H new ATOM 0 HA LEU A 70 8.378 0.249 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.879 0.524 -11.198 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.081 -0.558 -10.522 1.00 0.00 H new ATOM 0 HG LEU A 70 7.131 -1.741 -11.180 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.591 -2.938 -9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.333 -2.636 -9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.382 -1.647 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.971 -1.487 -10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.593 -0.044 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.451 -0.052 -11.006 1.00 0.00 H new ATOM 997 N THR A 71 10.651 1.062 -9.158 1.00 0.00 N ATOM 998 CA THR A 71 11.944 1.723 -9.346 1.00 0.00 C ATOM 999 C THR A 71 12.180 2.116 -10.796 1.00 0.00 C ATOM 1000 O THR A 71 12.900 3.071 -11.099 1.00 0.00 O ATOM 1001 CB THR A 71 13.106 0.879 -8.812 1.00 0.00 C ATOM 1002 OG1 THR A 71 13.109 -0.431 -9.412 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.929 0.744 -7.332 1.00 0.00 C ATOM 0 H THR A 71 10.717 0.090 -8.856 1.00 0.00 H new ATOM 0 HA THR A 71 11.906 2.640 -8.758 1.00 0.00 H new ATOM 0 HB THR A 71 14.052 1.364 -9.054 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.327 -0.934 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.743 0.147 -6.921 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.937 1.733 -6.873 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.978 0.254 -7.122 1.00 0.00 H new ATOM 1011 N ASN A 72 11.523 1.405 -11.688 1.00 0.00 N ATOM 1012 CA ASN A 72 11.598 1.685 -13.105 1.00 0.00 C ATOM 1013 C ASN A 72 10.611 2.777 -13.485 1.00 0.00 C ATOM 1014 O ASN A 72 10.583 3.244 -14.629 1.00 0.00 O ATOM 1015 CB ASN A 72 11.422 0.415 -13.946 1.00 0.00 C ATOM 1016 CG ASN A 72 10.193 -0.412 -13.615 1.00 0.00 C ATOM 1017 OD1 ASN A 72 9.158 0.112 -13.206 1.00 0.00 O ATOM 1018 ND2 ASN A 72 10.308 -1.719 -13.765 1.00 0.00 N ATOM 0 H ASN A 72 10.922 0.616 -11.450 1.00 0.00 H new ATOM 0 HA ASN A 72 12.598 2.057 -13.327 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.378 0.698 -14.998 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.306 -0.210 -13.821 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.523 -2.329 -13.539 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.182 -2.118 -14.107 1.00 0.00 H new ATOM 1025 N GLY A 73 9.789 3.168 -12.525 1.00 0.00 N ATOM 1026 CA GLY A 73 8.896 4.278 -12.712 1.00 0.00 C ATOM 1027 C GLY A 73 7.487 3.856 -13.000 1.00 0.00 C ATOM 1028 O GLY A 73 6.591 4.700 -13.098 1.00 0.00 O ATOM 0 H GLY A 73 9.729 2.725 -11.608 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.907 4.900 -11.817 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.260 4.895 -13.534 1.00 0.00 H new ATOM 1032 N LYS A 74 7.266 2.567 -13.166 1.00 0.00 N ATOM 1033 CA LYS A 74 5.936 2.096 -13.471 1.00 0.00 C ATOM 1034 C LYS A 74 5.010 2.059 -12.280 1.00 0.00 C ATOM 1035 O LYS A 74 5.375 2.383 -11.142 1.00 0.00 O ATOM 1036 CB LYS A 74 5.967 0.705 -14.078 1.00 0.00 C ATOM 1037 CG LYS A 74 6.820 0.569 -15.307 1.00 0.00 C ATOM 1038 CD LYS A 74 6.709 -0.823 -15.883 1.00 0.00 C ATOM 1039 CE LYS A 74 7.000 -1.917 -14.857 1.00 0.00 C ATOM 1040 NZ LYS A 74 6.911 -3.269 -15.445 1.00 0.00 N ATOM 0 H LYS A 74 7.978 1.840 -13.096 1.00 0.00 H new ATOM 0 HA LYS A 74 5.547 2.824 -14.183 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.327 0.004 -13.325 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.947 0.410 -14.327 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.512 1.302 -16.053 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.860 0.784 -15.060 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.705 -0.966 -16.284 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.403 -0.921 -16.718 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.997 -1.768 -14.442 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.295 -1.835 -14.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.116 -3.980 -14.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.953 -3.423 -15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.602 -3.358 -16.217 1.00 0.00 H new ATOM 1054 N GLN A 75 3.799 1.689 -12.599 1.00 0.00 N ATOM 1055 CA GLN A 75 2.772 1.376 -11.640 1.00 0.00 C ATOM 1056 C GLN A 75 2.710 -0.134 -11.622 1.00 0.00 C ATOM 1057 O GLN A 75 3.105 -0.786 -12.600 1.00 0.00 O ATOM 1058 CB GLN A 75 1.393 1.874 -12.059 1.00 0.00 C ATOM 1059 CG GLN A 75 1.238 3.369 -12.233 1.00 0.00 C ATOM 1060 CD GLN A 75 -0.193 3.746 -12.595 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -0.665 4.839 -12.270 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -0.901 2.863 -13.278 1.00 0.00 N ATOM 0 H GLN A 75 3.489 1.594 -13.566 1.00 0.00 H new ATOM 0 HA GLN A 75 3.010 1.844 -10.685 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.128 1.392 -13.000 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.670 1.541 -11.315 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.526 3.875 -11.312 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.915 3.717 -13.013 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.488 1.966 -13.534 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.861 3.078 -13.549 1.00 0.00 H new ATOM 1071 N ALA A 76 2.254 -0.685 -10.551 1.00 0.00 N ATOM 1072 CA ALA A 76 2.149 -2.123 -10.445 1.00 0.00 C ATOM 1073 C ALA A 76 0.668 -2.502 -10.499 1.00 0.00 C ATOM 1074 O ALA A 76 -0.174 -1.594 -10.443 1.00 0.00 O ATOM 1075 CB ALA A 76 2.846 -2.594 -9.179 1.00 0.00 C ATOM 0 H ALA A 76 1.943 -0.171 -9.726 1.00 0.00 H new ATOM 0 HA ALA A 76 2.649 -2.623 -11.274 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.766 -3.678 -9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.898 -2.310 -9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.375 -2.132 -8.311 1.00 0.00 H new ATOM 1081 N PRO A 77 0.311 -3.804 -10.635 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.092 -4.234 -10.701 1.00 0.00 C ATOM 1083 C PRO A 77 -1.889 -3.826 -9.471 1.00 0.00 C ATOM 1084 O PRO A 77 -1.333 -3.671 -8.387 1.00 0.00 O ATOM 1085 CB PRO A 77 -1.006 -5.749 -10.798 1.00 0.00 C ATOM 1086 CG PRO A 77 0.355 -6.031 -11.304 1.00 0.00 C ATOM 1087 CD PRO A 77 1.223 -4.960 -10.737 1.00 0.00 C ATOM 0 HA PRO A 77 -1.611 -3.771 -11.541 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.169 -6.215 -9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.766 -6.144 -11.472 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.694 -7.018 -10.989 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.378 -6.019 -12.394 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.626 -5.242 -9.764 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.073 -4.746 -11.385 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.193 -3.703 -9.655 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.139 -3.211 -8.642 1.00 0.00 C ATOM 1097 C ASP A 78 -4.127 -4.057 -7.390 1.00 0.00 C ATOM 1098 O ASP A 78 -4.394 -3.566 -6.290 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.564 -3.206 -9.195 1.00 0.00 C ATOM 1100 CG ASP A 78 -5.708 -2.401 -10.458 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -5.415 -2.939 -11.551 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -6.107 -1.220 -10.402 1.00 0.00 O ATOM 0 H ASP A 78 -3.645 -3.947 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.820 -2.200 -8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.875 -4.233 -9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.239 -2.806 -8.438 1.00 0.00 H new ATOM 1107 N TRP A 79 -3.818 -5.331 -7.557 1.00 0.00 N ATOM 1108 CA TRP A 79 -3.768 -6.253 -6.447 1.00 0.00 C ATOM 1109 C TRP A 79 -2.545 -5.999 -5.568 1.00 0.00 C ATOM 1110 O TRP A 79 -2.494 -6.434 -4.434 1.00 0.00 O ATOM 1111 CB TRP A 79 -3.827 -7.709 -6.926 1.00 0.00 C ATOM 1112 CG TRP A 79 -2.715 -8.128 -7.831 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -2.764 -8.179 -9.178 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.397 -8.564 -7.457 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -1.573 -8.625 -9.678 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -0.713 -8.862 -8.645 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -0.727 -8.730 -6.239 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 0.598 -9.312 -8.658 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.574 -9.178 -6.258 1.00 0.00 C ATOM 1120 CH2 TRP A 79 1.223 -9.462 -7.457 1.00 0.00 C ATOM 0 H TRP A 79 -3.597 -5.749 -8.461 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.651 -6.078 -5.833 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -3.829 -8.362 -6.053 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.773 -7.866 -7.443 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.621 -7.906 -9.776 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.360 -8.759 -10.666 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.221 -8.511 -5.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.105 -9.535 -9.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.102 -9.312 -5.325 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.245 -9.809 -7.434 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.550 -5.311 -6.087 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.404 -5.001 -5.287 1.00 0.00 C ATOM 1133 C LEU A 80 -0.765 -3.755 -4.499 1.00 0.00 C ATOM 1134 O LEU A 80 -0.814 -2.642 -5.035 1.00 0.00 O ATOM 1135 CB LEU A 80 0.849 -4.789 -6.143 1.00 0.00 C ATOM 1136 CG LEU A 80 2.150 -4.627 -5.358 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.461 -5.888 -4.590 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.306 -4.313 -6.267 1.00 0.00 C ATOM 0 H LEU A 80 -1.518 -4.964 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.158 -5.828 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.955 -5.636 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.703 -3.903 -6.761 1.00 0.00 H new ATOM 0 HG LEU A 80 2.010 -3.796 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.391 -5.757 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.650 -6.099 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.568 -6.721 -5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.215 -4.204 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.435 -5.123 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.107 -3.384 -6.801 1.00 0.00 H new ATOM 1150 N ALA A 81 -1.087 -3.967 -3.253 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.545 -2.926 -2.380 1.00 0.00 C ATOM 1152 C ALA A 81 -0.424 -2.456 -1.498 1.00 0.00 C ATOM 1153 O ALA A 81 0.537 -3.173 -1.248 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.677 -3.428 -1.501 1.00 0.00 C ATOM 0 H ALA A 81 -1.037 -4.884 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.900 -2.101 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.012 -2.625 -0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.507 -3.755 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.326 -4.266 -0.899 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.566 -1.254 -1.040 1.00 0.00 N ATOM 1161 CA ALA A 82 0.346 -0.667 -0.108 1.00 0.00 C ATOM 1162 C ALA A 82 -0.437 0.282 0.771 1.00 0.00 C ATOM 1163 O ALA A 82 -1.283 1.043 0.273 1.00 0.00 O ATOM 1164 CB ALA A 82 1.490 0.043 -0.818 1.00 0.00 C ATOM 0 H ALA A 82 -1.334 -0.639 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 82 0.805 -1.444 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.163 0.477 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.037 -0.673 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.090 0.834 -1.453 1.00 0.00 H new ATOM 1170 N GLU A 83 -0.216 0.188 2.055 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.841 1.036 3.038 1.00 0.00 C ATOM 1172 C GLU A 83 0.252 1.272 4.050 1.00 0.00 C ATOM 1173 O GLU A 83 1.113 0.412 4.170 1.00 0.00 O ATOM 1174 CB GLU A 83 -2.050 0.319 3.687 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.720 -1.006 4.354 1.00 0.00 C ATOM 1176 CD GLU A 83 -2.879 -1.613 5.116 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -3.589 -2.488 4.573 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -3.100 -1.245 6.296 1.00 0.00 O ATOM 0 H GLU A 83 0.421 -0.499 2.458 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.232 1.962 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.493 0.983 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.806 0.146 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.388 -1.712 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.885 -0.859 5.039 1.00 0.00 H new ATOM 1185 N PRO A 84 0.347 2.419 4.706 1.00 0.00 N ATOM 1186 CA PRO A 84 1.359 2.597 5.726 1.00 0.00 C ATOM 1187 C PRO A 84 1.011 1.793 6.988 1.00 0.00 C ATOM 1188 O PRO A 84 -0.154 1.468 7.235 1.00 0.00 O ATOM 1189 CB PRO A 84 1.365 4.112 5.913 1.00 0.00 C ATOM 1190 CG PRO A 84 -0.051 4.484 5.690 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.438 3.653 4.504 1.00 0.00 C ATOM 0 HA PRO A 84 2.350 2.225 5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.703 4.394 6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.028 4.603 5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.669 4.258 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.161 5.550 5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.509 3.453 4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.186 4.145 3.565 1.00 0.00 H new ATOM 1199 N TYR A 85 2.031 1.407 7.718 1.00 0.00 N ATOM 1200 CA TYR A 85 1.876 0.556 8.892 1.00 0.00 C ATOM 1201 C TYR A 85 1.344 1.295 10.138 1.00 0.00 C ATOM 1202 O TYR A 85 2.124 1.787 10.959 1.00 0.00 O ATOM 1203 CB TYR A 85 3.154 -0.339 9.068 1.00 0.00 C ATOM 1204 CG TYR A 85 3.685 -0.639 10.457 1.00 0.00 C ATOM 1205 CD1 TYR A 85 3.209 -1.723 11.183 1.00 0.00 C ATOM 1206 CD2 TYR A 85 4.661 0.160 11.043 1.00 0.00 C ATOM 1207 CE1 TYR A 85 3.683 -1.999 12.450 1.00 0.00 C ATOM 1208 CE2 TYR A 85 5.140 -0.112 12.308 1.00 0.00 C ATOM 1209 CZ TYR A 85 4.648 -1.191 13.009 1.00 0.00 C ATOM 1210 OH TYR A 85 5.119 -1.459 14.278 1.00 0.00 O ATOM 1211 OXT TYR A 85 0.106 1.368 10.326 1.00 0.00 O ATOM 0 H TYR A 85 2.996 1.670 7.521 1.00 0.00 H new ATOM 0 HA TYR A 85 1.057 -0.145 8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.949 -1.295 8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.961 0.134 8.508 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.454 -2.362 10.749 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.050 1.008 10.499 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.299 -2.845 13.000 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.898 0.519 12.747 1.00 0.00 H new ATOM 0 HH TYR A 85 5.797 -0.795 14.522 1.00 0.00 H new TER 1221 TYR A 85