USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 697 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 72:sc= 1.27 USER MOD Single : A 15 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.041) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0.00535 X(o=0.0053,f=-0.36) USER MOD Single : A 28 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-4.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= -0.15 (180deg=-0.15) USER MOD Single : A 54 GLN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0795 X(o=-0.08,f=-0.31) USER MOD Single : A 62 CYS SG : rot -97:sc= -1.1 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 77:sc= 0.00689 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 78 HIS : no HE2:sc= -1.88 X(o=-1.9,f=-2.2) USER MOD Single : A 81 ASN : amide:sc= -0.518 K(o=-0.52,f=-1.5!) USER MOD Single : A 86 TYR OH : rot -105:sc= 0.00315 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 31:sc= 0.0899 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.548 6.547 -3.350 1.00 0.00 N ATOM 2 CA GLY A 1 -37.221 6.204 -2.873 1.00 0.00 C ATOM 3 C GLY A 1 -36.278 5.828 -3.999 1.00 0.00 C ATOM 4 O GLY A 1 -36.623 5.023 -4.864 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.154 6.796 -2.542 1.00 0.00 H new ATOM 0 H2 GLY A 1 -38.485 7.358 -3.998 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.958 5.733 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.806 7.049 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.294 5.373 -2.172 1.00 0.00 H new ATOM 8 N SER A 2 -35.086 6.415 -3.991 1.00 0.00 N ATOM 9 CA SER A 2 -34.092 6.142 -5.023 1.00 0.00 C ATOM 10 C SER A 2 -32.892 5.403 -4.439 1.00 0.00 C ATOM 11 O SER A 2 -32.606 5.505 -3.247 1.00 0.00 O ATOM 12 CB SER A 2 -33.634 7.446 -5.677 1.00 0.00 C ATOM 13 OG SER A 2 -34.742 8.222 -6.099 1.00 0.00 O ATOM 0 H SER A 2 -34.785 7.083 -3.281 1.00 0.00 H new ATOM 0 HA SER A 2 -34.554 5.508 -5.780 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.033 8.019 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.996 7.223 -6.532 1.00 0.00 H new ATOM 0 HG SER A 2 -34.422 9.051 -6.512 1.00 0.00 H new ATOM 19 N SER A 3 -32.192 4.659 -5.290 1.00 0.00 N ATOM 20 CA SER A 3 -31.025 3.899 -4.859 1.00 0.00 C ATOM 21 C SER A 3 -29.985 4.816 -4.223 1.00 0.00 C ATOM 22 O SER A 3 -29.523 5.774 -4.842 1.00 0.00 O ATOM 23 CB SER A 3 -30.408 3.155 -6.046 1.00 0.00 C ATOM 24 OG SER A 3 -31.174 2.013 -6.387 1.00 0.00 O ATOM 0 H SER A 3 -32.413 4.567 -6.281 1.00 0.00 H new ATOM 0 HA SER A 3 -31.349 3.173 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.344 3.823 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.390 2.853 -5.801 1.00 0.00 H new ATOM 0 HG SER A 3 -30.760 1.557 -7.149 1.00 0.00 H new ATOM 30 N GLY A 4 -29.620 4.514 -2.980 1.00 0.00 N ATOM 31 CA GLY A 4 -28.638 5.319 -2.279 1.00 0.00 C ATOM 32 C GLY A 4 -27.944 4.553 -1.170 1.00 0.00 C ATOM 33 O GLY A 4 -26.901 3.937 -1.391 1.00 0.00 O ATOM 0 H GLY A 4 -29.987 3.726 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.893 5.678 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.127 6.198 -1.858 1.00 0.00 H new ATOM 37 N SER A 5 -28.523 4.591 0.025 1.00 0.00 N ATOM 38 CA SER A 5 -27.950 3.899 1.174 1.00 0.00 C ATOM 39 C SER A 5 -27.306 2.583 0.750 1.00 0.00 C ATOM 40 O SER A 5 -27.981 1.680 0.255 1.00 0.00 O ATOM 41 CB SER A 5 -29.029 3.636 2.227 1.00 0.00 C ATOM 42 OG SER A 5 -28.450 3.326 3.483 1.00 0.00 O ATOM 0 H SER A 5 -29.388 5.093 0.223 1.00 0.00 H new ATOM 0 HA SER A 5 -27.179 4.538 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.668 4.513 2.324 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.665 2.812 1.903 1.00 0.00 H new ATOM 0 HG SER A 5 -29.160 3.164 4.139 1.00 0.00 H new ATOM 48 N SER A 6 -25.995 2.482 0.948 1.00 0.00 N ATOM 49 CA SER A 6 -25.258 1.278 0.582 1.00 0.00 C ATOM 50 C SER A 6 -24.350 0.831 1.724 1.00 0.00 C ATOM 51 O SER A 6 -23.225 1.309 1.861 1.00 0.00 O ATOM 52 CB SER A 6 -24.427 1.527 -0.678 1.00 0.00 C ATOM 53 OG SER A 6 -25.234 2.024 -1.731 1.00 0.00 O ATOM 0 H SER A 6 -25.422 3.219 1.359 1.00 0.00 H new ATOM 0 HA SER A 6 -25.979 0.486 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.632 2.239 -0.458 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.947 0.599 -0.990 1.00 0.00 H new ATOM 0 HG SER A 6 -25.487 2.951 -1.539 1.00 0.00 H new ATOM 59 N GLY A 7 -24.848 -0.093 2.541 1.00 0.00 N ATOM 60 CA GLY A 7 -24.070 -0.590 3.660 1.00 0.00 C ATOM 61 C GLY A 7 -22.722 -1.137 3.232 1.00 0.00 C ATOM 62 O GLY A 7 -22.647 -2.167 2.561 1.00 0.00 O ATOM 0 H GLY A 7 -25.776 -0.506 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.920 0.214 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.631 -1.373 4.169 1.00 0.00 H new ATOM 66 N ARG A 8 -21.655 -0.446 3.618 1.00 0.00 N ATOM 67 CA ARG A 8 -20.304 -0.867 3.267 1.00 0.00 C ATOM 68 C ARG A 8 -19.774 -1.886 4.272 1.00 0.00 C ATOM 69 O ARG A 8 -20.347 -2.069 5.346 1.00 0.00 O ATOM 70 CB ARG A 8 -19.369 0.343 3.210 1.00 0.00 C ATOM 71 CG ARG A 8 -19.310 1.002 1.842 1.00 0.00 C ATOM 72 CD ARG A 8 -18.342 0.281 0.917 1.00 0.00 C ATOM 73 NE ARG A 8 -18.534 0.661 -0.480 1.00 0.00 N ATOM 74 CZ ARG A 8 -19.513 0.187 -1.243 1.00 0.00 C ATOM 75 NH1 ARG A 8 -20.384 -0.681 -0.747 1.00 0.00 N ATOM 76 NH2 ARG A 8 -19.622 0.581 -2.506 1.00 0.00 N ATOM 0 H ARG A 8 -21.700 0.408 4.174 1.00 0.00 H new ATOM 0 HA ARG A 8 -20.340 -1.337 2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.695 1.079 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.365 0.030 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -20.305 1.007 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.004 2.042 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.318 0.506 1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.475 -0.796 1.021 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.881 1.327 -0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.304 -0.987 0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.135 -1.043 -1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.954 1.248 -2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.374 0.216 -3.091 1.00 0.00 H new ATOM 90 N ILE A 9 -18.677 -2.545 3.915 1.00 0.00 N ATOM 91 CA ILE A 9 -18.070 -3.545 4.785 1.00 0.00 C ATOM 92 C ILE A 9 -16.576 -3.679 4.509 1.00 0.00 C ATOM 93 O ILE A 9 -16.054 -3.093 3.561 1.00 0.00 O ATOM 94 CB ILE A 9 -18.738 -4.922 4.612 1.00 0.00 C ATOM 95 CG1 ILE A 9 -18.978 -5.215 3.130 1.00 0.00 C ATOM 96 CG2 ILE A 9 -20.047 -4.976 5.386 1.00 0.00 C ATOM 97 CD1 ILE A 9 -17.715 -5.556 2.370 1.00 0.00 C ATOM 0 H ILE A 9 -18.190 -2.405 3.030 1.00 0.00 H new ATOM 0 HA ILE A 9 -18.219 -3.204 5.810 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.070 -5.686 5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -19.681 -6.043 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -19.448 -4.347 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.508 -5.955 5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.851 -4.807 6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.722 -4.205 5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.960 -5.752 1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.018 -4.720 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.255 -6.442 2.807 1.00 0.00 H new ATOM 109 N VAL A 10 -15.894 -4.456 5.344 1.00 0.00 N ATOM 110 CA VAL A 10 -14.460 -4.671 5.189 1.00 0.00 C ATOM 111 C VAL A 10 -14.170 -6.052 4.612 1.00 0.00 C ATOM 112 O VAL A 10 -13.091 -6.297 4.074 1.00 0.00 O ATOM 113 CB VAL A 10 -13.722 -4.523 6.533 1.00 0.00 C ATOM 114 CG1 VAL A 10 -12.216 -4.559 6.323 1.00 0.00 C ATOM 115 CG2 VAL A 10 -14.141 -3.238 7.232 1.00 0.00 C ATOM 0 H VAL A 10 -16.311 -4.947 6.135 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.099 -3.909 4.498 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.995 -5.363 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.712 -4.453 7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.935 -5.509 5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.921 -3.741 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.610 -3.150 8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.899 -2.384 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.215 -3.259 7.418 1.00 0.00 H new ATOM 125 N GLY A 11 -15.142 -6.951 4.727 1.00 0.00 N ATOM 126 CA GLY A 11 -14.972 -8.297 4.211 1.00 0.00 C ATOM 127 C GLY A 11 -14.602 -9.291 5.294 1.00 0.00 C ATOM 128 O GLY A 11 -14.608 -8.957 6.478 1.00 0.00 O ATOM 0 H GLY A 11 -16.044 -6.772 5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.896 -8.617 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.197 -8.294 3.445 1.00 0.00 H new ATOM 132 N GLU A 12 -14.280 -10.515 4.887 1.00 0.00 N ATOM 133 CA GLU A 12 -13.908 -11.560 5.834 1.00 0.00 C ATOM 134 C GLU A 12 -12.411 -11.848 5.765 1.00 0.00 C ATOM 135 O GLU A 12 -11.805 -11.792 4.695 1.00 0.00 O ATOM 136 CB GLU A 12 -14.698 -12.840 5.551 1.00 0.00 C ATOM 137 CG GLU A 12 -16.067 -12.869 6.210 1.00 0.00 C ATOM 138 CD GLU A 12 -16.615 -14.275 6.355 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.804 -15.215 6.492 1.00 0.00 O ATOM 140 OE2 GLU A 12 -17.853 -14.435 6.332 1.00 0.00 O ATOM 0 H GLU A 12 -14.269 -10.807 3.910 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.147 -11.208 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.820 -12.951 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.120 -13.697 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.002 -12.405 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.762 -12.271 5.621 1.00 0.00 H new ATOM 147 N LEU A 13 -11.821 -12.155 6.915 1.00 0.00 N ATOM 148 CA LEU A 13 -10.395 -12.452 6.988 1.00 0.00 C ATOM 149 C LEU A 13 -9.993 -13.460 5.916 1.00 0.00 C ATOM 150 O LEU A 13 -9.299 -13.119 4.959 1.00 0.00 O ATOM 151 CB LEU A 13 -10.036 -12.992 8.373 1.00 0.00 C ATOM 152 CG LEU A 13 -8.632 -12.661 8.880 1.00 0.00 C ATOM 153 CD1 LEU A 13 -8.609 -12.618 10.400 1.00 0.00 C ATOM 154 CD2 LEU A 13 -7.624 -13.675 8.359 1.00 0.00 C ATOM 0 H LEU A 13 -12.308 -12.205 7.810 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.847 -11.526 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.760 -12.605 9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.149 -14.076 8.359 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.355 -11.676 8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.602 -12.381 10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.301 -11.854 10.753 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.908 -13.589 10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.630 -13.424 8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.899 -14.672 8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.620 -13.657 7.269 1.00 0.00 H new ATOM 166 N GLU A 14 -10.435 -14.703 6.084 1.00 0.00 N ATOM 167 CA GLU A 14 -10.122 -15.760 5.130 1.00 0.00 C ATOM 168 C GLU A 14 -10.324 -15.276 3.697 1.00 0.00 C ATOM 169 O GLU A 14 -9.502 -15.540 2.820 1.00 0.00 O ATOM 170 CB GLU A 14 -10.993 -16.989 5.393 1.00 0.00 C ATOM 171 CG GLU A 14 -10.491 -17.859 6.533 1.00 0.00 C ATOM 172 CD GLU A 14 -11.344 -19.094 6.745 1.00 0.00 C ATOM 173 OE1 GLU A 14 -12.355 -19.000 7.473 1.00 0.00 O ATOM 174 OE2 GLU A 14 -11.002 -20.155 6.182 1.00 0.00 O ATOM 0 H GLU A 14 -11.010 -15.002 6.871 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.075 -16.033 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.009 -16.663 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.044 -17.589 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.464 -18.162 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.473 -17.273 7.452 1.00 0.00 H new ATOM 181 N GLN A 15 -11.426 -14.568 3.467 1.00 0.00 N ATOM 182 CA GLN A 15 -11.737 -14.049 2.141 1.00 0.00 C ATOM 183 C GLN A 15 -10.599 -13.181 1.615 1.00 0.00 C ATOM 184 O GLN A 15 -10.241 -13.255 0.440 1.00 0.00 O ATOM 185 CB GLN A 15 -13.036 -13.242 2.178 1.00 0.00 C ATOM 186 CG GLN A 15 -14.287 -14.096 2.056 1.00 0.00 C ATOM 187 CD GLN A 15 -14.509 -14.609 0.647 1.00 0.00 C ATOM 188 OE1 GLN A 15 -14.382 -15.804 0.382 1.00 0.00 O ATOM 189 NE2 GLN A 15 -14.843 -13.705 -0.267 1.00 0.00 N ATOM 0 H GLN A 15 -12.117 -14.341 4.182 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.863 -14.896 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.079 -12.681 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.024 -12.513 1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.212 -14.942 2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.153 -13.511 2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.937 -12.724 -0.003 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.005 -13.992 -1.232 1.00 0.00 H new ATOM 198 N MET A 16 -10.035 -12.358 2.493 1.00 0.00 N ATOM 199 CA MET A 16 -8.937 -11.476 2.116 1.00 0.00 C ATOM 200 C MET A 16 -7.902 -12.223 1.281 1.00 0.00 C ATOM 201 O MET A 16 -7.808 -13.449 1.341 1.00 0.00 O ATOM 202 CB MET A 16 -8.274 -10.890 3.364 1.00 0.00 C ATOM 203 CG MET A 16 -9.215 -10.049 4.213 1.00 0.00 C ATOM 204 SD MET A 16 -8.338 -8.895 5.286 1.00 0.00 S ATOM 205 CE MET A 16 -9.694 -8.231 6.249 1.00 0.00 C ATOM 0 H MET A 16 -10.320 -12.284 3.470 1.00 0.00 H new ATOM 0 HA MET A 16 -9.346 -10.664 1.515 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.879 -11.704 3.972 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.425 -10.277 3.061 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.888 -9.493 3.560 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.834 -10.707 4.823 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.311 -7.500 6.961 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.411 -7.749 5.584 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.187 -9.039 6.789 1.00 0.00 H new ATOM 215 N VAL A 17 -7.127 -11.476 0.500 1.00 0.00 N ATOM 216 CA VAL A 17 -6.098 -12.067 -0.347 1.00 0.00 C ATOM 217 C VAL A 17 -4.817 -11.243 -0.313 1.00 0.00 C ATOM 218 O VAL A 17 -4.858 -10.012 -0.299 1.00 0.00 O ATOM 219 CB VAL A 17 -6.577 -12.192 -1.806 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.730 -13.179 -1.907 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.979 -10.831 -2.353 1.00 0.00 C ATOM 0 H VAL A 17 -7.193 -10.460 0.437 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.896 -13.062 0.048 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.752 -12.571 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.055 -13.254 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.402 -14.158 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.560 -12.833 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.315 -10.938 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.788 -10.421 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.123 -10.157 -2.318 1.00 0.00 H new ATOM 231 N SER A 18 -3.678 -11.928 -0.300 1.00 0.00 N ATOM 232 CA SER A 18 -2.383 -11.259 -0.265 1.00 0.00 C ATOM 233 C SER A 18 -1.769 -11.190 -1.659 1.00 0.00 C ATOM 234 O SER A 18 -1.811 -12.159 -2.416 1.00 0.00 O ATOM 235 CB SER A 18 -1.434 -11.990 0.687 1.00 0.00 C ATOM 236 OG SER A 18 -0.873 -13.135 0.069 1.00 0.00 O ATOM 0 H SER A 18 -3.626 -12.947 -0.313 1.00 0.00 H new ATOM 0 HA SER A 18 -2.537 -10.242 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.637 -11.315 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.973 -12.286 1.587 1.00 0.00 H new ATOM 0 HG SER A 18 -0.269 -13.583 0.697 1.00 0.00 H new ATOM 242 N GLU A 19 -1.198 -10.036 -1.991 1.00 0.00 N ATOM 243 CA GLU A 19 -0.576 -9.839 -3.295 1.00 0.00 C ATOM 244 C GLU A 19 0.754 -9.104 -3.158 1.00 0.00 C ATOM 245 O GLU A 19 1.013 -8.450 -2.148 1.00 0.00 O ATOM 246 CB GLU A 19 -1.511 -9.055 -4.218 1.00 0.00 C ATOM 247 CG GLU A 19 -2.456 -9.936 -5.018 1.00 0.00 C ATOM 248 CD GLU A 19 -1.771 -10.619 -6.185 1.00 0.00 C ATOM 249 OE1 GLU A 19 -0.589 -10.995 -6.042 1.00 0.00 O ATOM 250 OE2 GLU A 19 -2.417 -10.777 -7.242 1.00 0.00 O ATOM 0 H GLU A 19 -1.153 -9.224 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.386 -10.820 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.097 -8.357 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.912 -8.459 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.885 -10.692 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.283 -9.331 -5.391 1.00 0.00 H new ATOM 257 N ASP A 20 1.595 -9.219 -4.180 1.00 0.00 N ATOM 258 CA ASP A 20 2.899 -8.565 -4.175 1.00 0.00 C ATOM 259 C ASP A 20 2.907 -7.361 -5.111 1.00 0.00 C ATOM 260 O ASP A 20 2.608 -7.482 -6.299 1.00 0.00 O ATOM 261 CB ASP A 20 3.990 -9.554 -4.587 1.00 0.00 C ATOM 262 CG ASP A 20 3.489 -10.591 -5.573 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.827 -11.555 -5.135 1.00 0.00 O ATOM 264 OD2 ASP A 20 3.760 -10.439 -6.783 1.00 0.00 O ATOM 0 H ASP A 20 1.397 -9.759 -5.023 1.00 0.00 H new ATOM 0 HA ASP A 20 3.099 -8.216 -3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.823 -9.008 -5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.375 -10.057 -3.700 1.00 0.00 H new ATOM 269 N VAL A 21 3.249 -6.197 -4.566 1.00 0.00 N ATOM 270 CA VAL A 21 3.296 -4.970 -5.352 1.00 0.00 C ATOM 271 C VAL A 21 4.714 -4.416 -5.422 1.00 0.00 C ATOM 272 O VAL A 21 5.342 -4.118 -4.406 1.00 0.00 O ATOM 273 CB VAL A 21 2.364 -3.893 -4.766 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.942 -2.908 -5.846 1.00 0.00 C ATOM 275 CG2 VAL A 21 1.149 -4.536 -4.115 1.00 0.00 C ATOM 0 H VAL A 21 3.497 -6.079 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 21 2.959 -5.224 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 21 2.910 -3.343 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.284 -2.154 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.825 -2.423 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.414 -3.440 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.502 -3.760 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.599 -5.112 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.474 -5.197 -3.312 1.00 0.00 H new ATOM 285 N PRO A 22 5.234 -4.274 -6.651 1.00 0.00 N ATOM 286 CA PRO A 22 6.585 -3.754 -6.883 1.00 0.00 C ATOM 287 C PRO A 22 6.698 -2.269 -6.556 1.00 0.00 C ATOM 288 O PRO A 22 6.315 -1.415 -7.358 1.00 0.00 O ATOM 289 CB PRO A 22 6.803 -3.990 -8.380 1.00 0.00 C ATOM 290 CG PRO A 22 5.432 -4.014 -8.963 1.00 0.00 C ATOM 291 CD PRO A 22 4.543 -4.609 -7.907 1.00 0.00 C ATOM 0 HA PRO A 22 7.325 -4.242 -6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.407 -3.198 -8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.327 -4.929 -8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.103 -3.009 -9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.406 -4.610 -9.876 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.540 -4.183 -7.940 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.436 -5.687 -8.032 1.00 0.00 H new ATOM 299 N LEU A 23 7.227 -1.966 -5.376 1.00 0.00 N ATOM 300 CA LEU A 23 7.391 -0.583 -4.943 1.00 0.00 C ATOM 301 C LEU A 23 8.857 -0.272 -4.658 1.00 0.00 C ATOM 302 O LEU A 23 9.476 -0.890 -3.791 1.00 0.00 O ATOM 303 CB LEU A 23 6.549 -0.315 -3.694 1.00 0.00 C ATOM 304 CG LEU A 23 6.521 1.133 -3.202 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.681 1.996 -4.131 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.987 1.202 -1.779 1.00 0.00 C ATOM 0 H LEU A 23 7.550 -2.660 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 23 7.051 0.067 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.525 -0.629 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.922 -0.945 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 23 7.541 1.518 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.673 3.023 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.107 1.972 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.661 1.613 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.974 2.240 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.975 0.799 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.629 0.617 -1.121 1.00 0.00 H new ATOM 318 N ASP A 24 9.406 0.690 -5.392 1.00 0.00 N ATOM 319 CA ASP A 24 10.799 1.085 -5.216 1.00 0.00 C ATOM 320 C ASP A 24 11.071 1.487 -3.769 1.00 0.00 C ATOM 321 O ASP A 24 10.220 2.084 -3.109 1.00 0.00 O ATOM 322 CB ASP A 24 11.145 2.242 -6.153 1.00 0.00 C ATOM 323 CG ASP A 24 12.633 2.338 -6.431 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.402 2.562 -5.473 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.027 2.187 -7.606 1.00 0.00 O ATOM 0 H ASP A 24 8.908 1.210 -6.114 1.00 0.00 H new ATOM 0 HA ASP A 24 11.428 0.229 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.610 2.116 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.800 3.178 -5.713 1.00 0.00 H new ATOM 330 N HIS A 25 12.263 1.154 -3.282 1.00 0.00 N ATOM 331 CA HIS A 25 12.647 1.480 -1.914 1.00 0.00 C ATOM 332 C HIS A 25 12.901 2.977 -1.762 1.00 0.00 C ATOM 333 O HIS A 25 12.951 3.498 -0.648 1.00 0.00 O ATOM 334 CB HIS A 25 13.896 0.696 -1.512 1.00 0.00 C ATOM 335 CG HIS A 25 15.148 1.180 -2.177 1.00 0.00 C ATOM 336 ND1 HIS A 25 15.452 0.910 -3.494 1.00 0.00 N ATOM 337 CD2 HIS A 25 16.173 1.923 -1.700 1.00 0.00 C ATOM 338 CE1 HIS A 25 16.612 1.465 -3.798 1.00 0.00 C ATOM 339 NE2 HIS A 25 17.071 2.086 -2.726 1.00 0.00 N ATOM 0 H HIS A 25 12.978 0.659 -3.815 1.00 0.00 H new ATOM 0 HA HIS A 25 11.824 1.201 -1.256 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.021 0.758 -0.431 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.748 -0.356 -1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.267 2.315 -0.698 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.102 1.419 -4.759 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.949 2.602 -2.670 1.00 0.00 H new ATOM 347 N ARG A 26 13.061 3.662 -2.890 1.00 0.00 N ATOM 348 CA ARG A 26 13.312 5.098 -2.882 1.00 0.00 C ATOM 349 C ARG A 26 12.040 5.870 -2.544 1.00 0.00 C ATOM 350 O ARG A 26 12.073 7.084 -2.342 1.00 0.00 O ATOM 351 CB ARG A 26 13.850 5.550 -4.241 1.00 0.00 C ATOM 352 CG ARG A 26 15.361 5.442 -4.364 1.00 0.00 C ATOM 353 CD ARG A 26 15.907 6.416 -5.396 1.00 0.00 C ATOM 354 NE ARG A 26 15.900 7.792 -4.908 1.00 0.00 N ATOM 355 CZ ARG A 26 16.625 8.767 -5.446 1.00 0.00 C ATOM 356 NH1 ARG A 26 17.410 8.517 -6.485 1.00 0.00 N ATOM 357 NH2 ARG A 26 16.564 9.994 -4.946 1.00 0.00 N ATOM 0 H ARG A 26 13.021 3.246 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 26 14.058 5.307 -2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.386 4.950 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.553 6.584 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.821 5.640 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.633 4.424 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.925 6.131 -5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.311 6.351 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 26 15.306 8.017 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 26 17.458 7.575 -6.873 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.966 9.267 -6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.960 10.190 -4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.121 10.742 -5.360 1.00 0.00 H new ATOM 371 N VAL A 27 10.919 5.158 -2.485 1.00 0.00 N ATOM 372 CA VAL A 27 9.636 5.776 -2.172 1.00 0.00 C ATOM 373 C VAL A 27 8.979 5.100 -0.974 1.00 0.00 C ATOM 374 O VAL A 27 7.960 5.567 -0.465 1.00 0.00 O ATOM 375 CB VAL A 27 8.675 5.714 -3.373 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.298 6.379 -4.591 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.296 4.272 -3.678 1.00 0.00 C ATOM 0 H VAL A 27 10.873 4.152 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 27 9.838 6.820 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 27 7.766 6.258 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.604 6.325 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.514 7.423 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.223 5.866 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.616 4.247 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.194 3.702 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.805 3.833 -2.809 1.00 0.00 H new ATOM 387 N HIS A 28 9.570 3.997 -0.526 1.00 0.00 N ATOM 388 CA HIS A 28 9.043 3.256 0.615 1.00 0.00 C ATOM 389 C HIS A 28 8.819 4.181 1.807 1.00 0.00 C ATOM 390 O HIS A 28 7.708 4.282 2.327 1.00 0.00 O ATOM 391 CB HIS A 28 9.999 2.127 1.003 1.00 0.00 C ATOM 392 CG HIS A 28 9.771 0.860 0.237 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.305 -0.354 0.615 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.061 0.623 -0.891 1.00 0.00 C ATOM 395 CE1 HIS A 28 9.934 -1.283 -0.248 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.178 -0.717 -1.171 1.00 0.00 N ATOM 0 H HIS A 28 10.414 3.596 -0.935 1.00 0.00 H new ATOM 0 HA HIS A 28 8.084 2.826 0.326 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.025 2.459 0.843 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.893 1.922 2.068 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.506 1.351 -1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.203 -2.328 -0.206 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.750 -1.197 -1.963 1.00 0.00 H new ATOM 404 N ALA A 29 9.882 4.854 2.235 1.00 0.00 N ATOM 405 CA ALA A 29 9.801 5.771 3.365 1.00 0.00 C ATOM 406 C ALA A 29 8.901 6.960 3.044 1.00 0.00 C ATOM 407 O ALA A 29 8.080 7.368 3.866 1.00 0.00 O ATOM 408 CB ALA A 29 11.191 6.251 3.757 1.00 0.00 C ATOM 0 H ALA A 29 10.809 4.781 1.816 1.00 0.00 H new ATOM 0 HA ALA A 29 9.363 5.233 4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.115 6.935 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.806 5.396 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.649 6.767 2.913 1.00 0.00 H new ATOM 414 N ARG A 30 9.060 7.510 1.845 1.00 0.00 N ATOM 415 CA ARG A 30 8.263 8.653 1.417 1.00 0.00 C ATOM 416 C ARG A 30 6.773 8.366 1.576 1.00 0.00 C ATOM 417 O ARG A 30 5.987 9.264 1.878 1.00 0.00 O ATOM 418 CB ARG A 30 8.574 9.001 -0.040 1.00 0.00 C ATOM 419 CG ARG A 30 9.929 9.662 -0.233 1.00 0.00 C ATOM 420 CD ARG A 30 9.852 11.165 -0.015 1.00 0.00 C ATOM 421 NE ARG A 30 10.033 11.525 1.389 1.00 0.00 N ATOM 422 CZ ARG A 30 10.390 12.737 1.797 1.00 0.00 C ATOM 423 NH1 ARG A 30 10.603 13.702 0.912 1.00 0.00 N ATOM 424 NH2 ARG A 30 10.534 12.987 3.092 1.00 0.00 N ATOM 0 H ARG A 30 9.734 7.183 1.153 1.00 0.00 H new ATOM 0 HA ARG A 30 8.521 9.502 2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.535 8.091 -0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.798 9.666 -0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.649 9.229 0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.295 9.457 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.615 11.658 -0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.886 11.532 -0.362 1.00 0.00 H new ATOM 0 HE ARG A 30 9.876 10.806 2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.493 13.514 -0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.877 14.632 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.370 12.248 3.775 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.808 13.919 3.404 1.00 0.00 H new ATOM 438 N ILE A 31 6.392 7.110 1.369 1.00 0.00 N ATOM 439 CA ILE A 31 4.997 6.706 1.490 1.00 0.00 C ATOM 440 C ILE A 31 4.662 6.307 2.924 1.00 0.00 C ATOM 441 O ILE A 31 3.634 6.710 3.467 1.00 0.00 O ATOM 442 CB ILE A 31 4.668 5.529 0.552 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.985 5.901 -0.898 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.207 5.130 0.695 1.00 0.00 C ATOM 445 CD1 ILE A 31 5.175 4.703 -1.802 1.00 0.00 C ATOM 0 H ILE A 31 7.030 6.355 1.117 1.00 0.00 H new ATOM 0 HA ILE A 31 4.394 7.568 1.204 1.00 0.00 H new ATOM 0 HB ILE A 31 5.286 4.676 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.177 6.518 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.889 6.509 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.990 4.297 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.011 4.829 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.572 5.977 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.397 5.042 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.002 4.097 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.263 4.106 -1.811 1.00 0.00 H new ATOM 457 N ILE A 32 5.539 5.513 3.531 1.00 0.00 N ATOM 458 CA ILE A 32 5.338 5.062 4.902 1.00 0.00 C ATOM 459 C ILE A 32 5.070 6.239 5.834 1.00 0.00 C ATOM 460 O ILE A 32 4.227 6.159 6.727 1.00 0.00 O ATOM 461 CB ILE A 32 6.557 4.278 5.421 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.682 2.942 4.686 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.443 4.054 6.922 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.091 2.390 4.672 1.00 0.00 C ATOM 0 H ILE A 32 6.395 5.169 3.095 1.00 0.00 H new ATOM 0 HA ILE A 32 4.470 4.403 4.893 1.00 0.00 H new ATOM 0 HB ILE A 32 7.456 4.863 5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.020 2.215 5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.339 3.068 3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.312 3.498 7.274 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.397 5.017 7.431 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.538 3.486 7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.105 1.442 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.754 3.098 4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.430 2.232 5.696 1.00 0.00 H new ATOM 476 N GLY A 33 5.793 7.334 5.619 1.00 0.00 N ATOM 477 CA GLY A 33 5.618 8.513 6.447 1.00 0.00 C ATOM 478 C GLY A 33 6.565 8.537 7.630 1.00 0.00 C ATOM 479 O GLY A 33 7.478 7.718 7.719 1.00 0.00 O ATOM 0 H GLY A 33 6.497 7.426 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.776 9.405 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.590 8.550 6.808 1.00 0.00 H new ATOM 483 N ALA A 34 6.347 9.480 8.541 1.00 0.00 N ATOM 484 CA ALA A 34 7.188 9.607 9.725 1.00 0.00 C ATOM 485 C ALA A 34 6.849 8.537 10.757 1.00 0.00 C ATOM 486 O ALA A 34 7.655 7.648 11.031 1.00 0.00 O ATOM 487 CB ALA A 34 7.039 10.994 10.332 1.00 0.00 C ATOM 0 H ALA A 34 5.595 10.167 8.482 1.00 0.00 H new ATOM 0 HA ALA A 34 8.225 9.465 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.673 11.075 11.215 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.338 11.745 9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.999 11.157 10.615 1.00 0.00 H new ATOM 493 N ARG A 35 5.652 8.629 11.326 1.00 0.00 N ATOM 494 CA ARG A 35 5.207 7.669 12.329 1.00 0.00 C ATOM 495 C ARG A 35 4.271 6.633 11.713 1.00 0.00 C ATOM 496 O ARG A 35 3.502 5.979 12.418 1.00 0.00 O ATOM 497 CB ARG A 35 4.501 8.390 13.479 1.00 0.00 C ATOM 498 CG ARG A 35 4.629 7.678 14.815 1.00 0.00 C ATOM 499 CD ARG A 35 6.019 7.849 15.408 1.00 0.00 C ATOM 500 NE ARG A 35 6.222 9.191 15.947 1.00 0.00 N ATOM 501 CZ ARG A 35 5.751 9.589 17.124 1.00 0.00 C ATOM 502 NH1 ARG A 35 5.055 8.752 17.880 1.00 0.00 N ATOM 503 NH2 ARG A 35 5.978 10.826 17.546 1.00 0.00 N ATOM 0 H ARG A 35 4.973 9.359 11.110 1.00 0.00 H new ATOM 0 HA ARG A 35 6.086 7.154 12.717 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.911 9.396 13.572 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.444 8.498 13.234 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.886 8.069 15.509 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.416 6.617 14.685 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.169 7.114 16.199 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.767 7.649 14.641 1.00 0.00 H new ATOM 0 HE ARG A 35 6.754 9.859 15.390 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.880 7.800 17.559 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.695 9.060 18.783 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.514 11.472 16.967 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.616 11.131 18.450 1.00 0.00 H new ATOM 517 N GLY A 36 4.340 6.490 10.393 1.00 0.00 N ATOM 518 CA GLY A 36 3.494 5.534 9.705 1.00 0.00 C ATOM 519 C GLY A 36 2.091 6.060 9.477 1.00 0.00 C ATOM 520 O GLY A 36 1.133 5.289 9.414 1.00 0.00 O ATOM 0 H GLY A 36 4.967 7.020 9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.944 5.280 8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.444 4.614 10.287 1.00 0.00 H new ATOM 524 N LYS A 37 1.967 7.377 9.354 1.00 0.00 N ATOM 525 CA LYS A 37 0.671 8.008 9.133 1.00 0.00 C ATOM 526 C LYS A 37 0.338 8.057 7.645 1.00 0.00 C ATOM 527 O LYS A 37 -0.694 7.543 7.214 1.00 0.00 O ATOM 528 CB LYS A 37 0.663 9.423 9.715 1.00 0.00 C ATOM 529 CG LYS A 37 -0.732 9.986 9.926 1.00 0.00 C ATOM 530 CD LYS A 37 -0.707 11.216 10.818 1.00 0.00 C ATOM 531 CE LYS A 37 -1.894 12.127 10.543 1.00 0.00 C ATOM 532 NZ LYS A 37 -3.152 11.592 11.133 1.00 0.00 N ATOM 0 H LYS A 37 2.750 8.029 9.404 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.087 7.410 9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.192 9.418 10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.216 10.084 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.171 10.243 8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.369 9.223 10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.717 10.909 11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.220 11.766 10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.694 13.118 10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.019 12.245 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.937 12.241 10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.357 10.658 10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.042 11.503 12.163 1.00 0.00 H new ATOM 546 N ALA A 38 1.218 8.676 6.866 1.00 0.00 N ATOM 547 CA ALA A 38 1.018 8.789 5.426 1.00 0.00 C ATOM 548 C ALA A 38 0.466 7.491 4.846 1.00 0.00 C ATOM 549 O ALA A 38 -0.378 7.511 3.949 1.00 0.00 O ATOM 550 CB ALA A 38 2.323 9.163 4.740 1.00 0.00 C ATOM 0 H ALA A 38 2.077 9.107 7.208 1.00 0.00 H new ATOM 0 HA ALA A 38 0.287 9.577 5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.159 9.244 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.676 10.119 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.070 8.394 4.936 1.00 0.00 H new ATOM 556 N ILE A 39 0.947 6.366 5.362 1.00 0.00 N ATOM 557 CA ILE A 39 0.501 5.059 4.895 1.00 0.00 C ATOM 558 C ILE A 39 -0.820 4.664 5.546 1.00 0.00 C ATOM 559 O ILE A 39 -1.646 3.985 4.936 1.00 0.00 O ATOM 560 CB ILE A 39 1.549 3.969 5.185 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.110 2.634 4.579 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.769 3.830 6.684 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.355 2.536 3.090 1.00 0.00 C ATOM 0 H ILE A 39 1.646 6.333 6.104 1.00 0.00 H new ATOM 0 HA ILE A 39 0.362 5.140 3.817 1.00 0.00 H new ATOM 0 HB ILE A 39 2.493 4.262 4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.641 1.825 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.048 2.487 4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.513 3.056 6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.122 4.778 7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.830 3.556 7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.020 1.564 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.802 3.323 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.420 2.650 2.888 1.00 0.00 H new ATOM 575 N ARG A 40 -1.014 5.096 6.788 1.00 0.00 N ATOM 576 CA ARG A 40 -2.235 4.788 7.522 1.00 0.00 C ATOM 577 C ARG A 40 -3.467 5.243 6.744 1.00 0.00 C ATOM 578 O ARG A 40 -4.370 4.451 6.472 1.00 0.00 O ATOM 579 CB ARG A 40 -2.212 5.458 8.897 1.00 0.00 C ATOM 580 CG ARG A 40 -3.296 4.957 9.837 1.00 0.00 C ATOM 581 CD ARG A 40 -2.851 3.712 10.587 1.00 0.00 C ATOM 582 NE ARG A 40 -1.989 4.034 11.721 1.00 0.00 N ATOM 583 CZ ARG A 40 -2.416 4.653 12.816 1.00 0.00 C ATOM 584 NH1 ARG A 40 -3.687 5.014 12.925 1.00 0.00 N ATOM 585 NH2 ARG A 40 -1.570 4.911 13.806 1.00 0.00 N ATOM 0 H ARG A 40 -0.341 5.660 7.307 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.287 3.707 7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.238 5.291 9.357 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.323 6.535 8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.551 5.741 10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.199 4.737 9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.728 3.169 10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.319 3.049 9.905 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.005 3.769 11.669 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.340 4.817 12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.012 5.489 13.767 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.592 4.634 13.726 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.898 5.386 14.647 1.00 0.00 H new ATOM 599 N LYS A 41 -3.496 6.522 6.388 1.00 0.00 N ATOM 600 CA LYS A 41 -4.615 7.083 5.640 1.00 0.00 C ATOM 601 C LYS A 41 -4.928 6.236 4.411 1.00 0.00 C ATOM 602 O LYS A 41 -6.074 6.173 3.964 1.00 0.00 O ATOM 603 CB LYS A 41 -4.303 8.520 5.216 1.00 0.00 C ATOM 604 CG LYS A 41 -3.362 8.613 4.027 1.00 0.00 C ATOM 605 CD LYS A 41 -3.368 10.005 3.418 1.00 0.00 C ATOM 606 CE LYS A 41 -2.660 11.009 4.315 1.00 0.00 C ATOM 607 NZ LYS A 41 -3.144 12.398 4.082 1.00 0.00 N ATOM 0 H LYS A 41 -2.757 7.191 6.605 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.489 7.084 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.236 9.028 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.862 9.051 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.350 8.357 4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.655 7.883 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.880 9.979 2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.396 10.326 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.819 10.739 5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.586 10.963 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.638 13.052 4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.969 12.665 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.164 12.448 4.279 1.00 0.00 H new ATOM 621 N ILE A 42 -3.903 5.585 3.870 1.00 0.00 N ATOM 622 CA ILE A 42 -4.070 4.740 2.695 1.00 0.00 C ATOM 623 C ILE A 42 -4.702 3.402 3.065 1.00 0.00 C ATOM 624 O ILE A 42 -5.627 2.937 2.401 1.00 0.00 O ATOM 625 CB ILE A 42 -2.725 4.483 1.990 1.00 0.00 C ATOM 626 CG1 ILE A 42 -2.110 5.803 1.521 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.915 3.534 0.817 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.715 5.652 0.955 1.00 0.00 C ATOM 0 H ILE A 42 -2.949 5.627 4.227 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.731 5.275 2.013 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.042 4.018 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.755 6.246 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.080 6.499 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.956 3.362 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.314 2.586 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.612 3.973 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.342 6.627 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.056 5.238 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.741 4.982 0.096 1.00 0.00 H new ATOM 640 N MET A 43 -4.195 2.790 4.130 1.00 0.00 N ATOM 641 CA MET A 43 -4.712 1.506 4.591 1.00 0.00 C ATOM 642 C MET A 43 -6.205 1.597 4.889 1.00 0.00 C ATOM 643 O MET A 43 -6.989 0.762 4.438 1.00 0.00 O ATOM 644 CB MET A 43 -3.957 1.047 5.840 1.00 0.00 C ATOM 645 CG MET A 43 -2.665 0.309 5.531 1.00 0.00 C ATOM 646 SD MET A 43 -2.005 -0.565 6.964 1.00 0.00 S ATOM 647 CE MET A 43 -0.701 0.554 7.472 1.00 0.00 C ATOM 0 H MET A 43 -3.428 3.162 4.690 1.00 0.00 H new ATOM 0 HA MET A 43 -4.562 0.775 3.796 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.731 1.916 6.458 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.605 0.398 6.428 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.842 -0.404 4.725 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.922 1.020 5.170 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.197 0.151 8.350 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.018 0.667 6.661 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.130 1.526 7.714 1.00 0.00 H new ATOM 657 N ASP A 44 -6.590 2.614 5.652 1.00 0.00 N ATOM 658 CA ASP A 44 -7.990 2.813 6.011 1.00 0.00 C ATOM 659 C ASP A 44 -8.819 3.172 4.782 1.00 0.00 C ATOM 660 O ASP A 44 -9.978 2.774 4.666 1.00 0.00 O ATOM 661 CB ASP A 44 -8.116 3.913 7.066 1.00 0.00 C ATOM 662 CG ASP A 44 -7.924 3.388 8.475 1.00 0.00 C ATOM 663 OD1 ASP A 44 -6.769 3.091 8.845 1.00 0.00 O ATOM 664 OD2 ASP A 44 -8.929 3.272 9.208 1.00 0.00 O ATOM 0 H ASP A 44 -5.953 3.313 6.034 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.371 1.879 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.378 4.690 6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.098 4.379 6.986 1.00 0.00 H new ATOM 669 N GLU A 45 -8.218 3.928 3.868 1.00 0.00 N ATOM 670 CA GLU A 45 -8.903 4.342 2.649 1.00 0.00 C ATOM 671 C GLU A 45 -9.609 3.159 1.993 1.00 0.00 C ATOM 672 O GLU A 45 -10.822 3.184 1.784 1.00 0.00 O ATOM 673 CB GLU A 45 -7.910 4.966 1.666 1.00 0.00 C ATOM 674 CG GLU A 45 -8.564 5.533 0.418 1.00 0.00 C ATOM 675 CD GLU A 45 -7.678 6.531 -0.303 1.00 0.00 C ATOM 676 OE1 GLU A 45 -6.448 6.316 -0.337 1.00 0.00 O ATOM 677 OE2 GLU A 45 -8.214 7.527 -0.832 1.00 0.00 O ATOM 0 H GLU A 45 -7.259 4.266 3.949 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.652 5.086 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.362 5.761 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.180 4.212 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.812 4.717 -0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.502 6.017 0.691 1.00 0.00 H new ATOM 684 N PHE A 46 -8.841 2.124 1.671 1.00 0.00 N ATOM 685 CA PHE A 46 -9.392 0.931 1.038 1.00 0.00 C ATOM 686 C PHE A 46 -9.548 -0.200 2.050 1.00 0.00 C ATOM 687 O PHE A 46 -9.936 -1.314 1.699 1.00 0.00 O ATOM 688 CB PHE A 46 -8.493 0.479 -0.115 1.00 0.00 C ATOM 689 CG PHE A 46 -7.999 1.611 -0.969 1.00 0.00 C ATOM 690 CD1 PHE A 46 -6.959 2.418 -0.539 1.00 0.00 C ATOM 691 CD2 PHE A 46 -8.575 1.868 -2.203 1.00 0.00 C ATOM 692 CE1 PHE A 46 -6.501 3.460 -1.323 1.00 0.00 C ATOM 693 CE2 PHE A 46 -8.121 2.908 -2.992 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.084 3.706 -2.550 1.00 0.00 C ATOM 0 H PHE A 46 -7.835 2.087 1.838 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.378 1.181 0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.637 -0.059 0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.043 -0.224 -0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.500 2.231 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.388 1.249 -2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.688 4.081 -0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.577 3.096 -3.953 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.730 4.521 -3.163 1.00 0.00 H new ATOM 704 N LYS A 47 -9.243 0.095 3.309 1.00 0.00 N ATOM 705 CA LYS A 47 -9.349 -0.895 4.374 1.00 0.00 C ATOM 706 C LYS A 47 -8.405 -2.067 4.124 1.00 0.00 C ATOM 707 O LYS A 47 -8.767 -3.224 4.334 1.00 0.00 O ATOM 708 CB LYS A 47 -10.789 -1.401 4.487 1.00 0.00 C ATOM 709 CG LYS A 47 -11.828 -0.295 4.426 1.00 0.00 C ATOM 710 CD LYS A 47 -11.924 0.453 5.745 1.00 0.00 C ATOM 711 CE LYS A 47 -12.850 -0.256 6.722 1.00 0.00 C ATOM 712 NZ LYS A 47 -14.277 0.106 6.496 1.00 0.00 N ATOM 0 H LYS A 47 -8.920 1.012 3.617 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.064 -0.416 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.980 -2.112 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.902 -1.943 5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.572 0.403 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.800 -0.721 4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.931 0.546 6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.289 1.464 5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.728 -1.334 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.567 0.002 7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.876 -0.398 7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.398 1.132 6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.555 -0.163 5.531 1.00 0.00 H new ATOM 726 N VAL A 48 -7.192 -1.759 3.676 1.00 0.00 N ATOM 727 CA VAL A 48 -6.195 -2.786 3.400 1.00 0.00 C ATOM 728 C VAL A 48 -5.015 -2.679 4.360 1.00 0.00 C ATOM 729 O VAL A 48 -4.844 -1.667 5.039 1.00 0.00 O ATOM 730 CB VAL A 48 -5.676 -2.690 1.953 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.735 -3.172 0.973 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.250 -1.265 1.634 1.00 0.00 C ATOM 0 H VAL A 48 -6.876 -0.806 3.496 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.686 -3.749 3.539 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.804 -3.336 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.351 -3.097 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.986 -4.210 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.628 -2.555 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.886 -1.215 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.103 -0.596 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.456 -0.961 2.316 1.00 0.00 H new ATOM 742 N ASP A 49 -4.204 -3.730 4.410 1.00 0.00 N ATOM 743 CA ASP A 49 -3.038 -3.754 5.286 1.00 0.00 C ATOM 744 C ASP A 49 -1.756 -3.938 4.479 1.00 0.00 C ATOM 745 O ASP A 49 -1.406 -5.056 4.099 1.00 0.00 O ATOM 746 CB ASP A 49 -3.172 -4.876 6.317 1.00 0.00 C ATOM 747 CG ASP A 49 -4.614 -5.136 6.706 1.00 0.00 C ATOM 748 OD1 ASP A 49 -5.395 -5.569 5.834 1.00 0.00 O ATOM 749 OD2 ASP A 49 -4.960 -4.907 7.884 1.00 0.00 O ATOM 0 H ASP A 49 -4.332 -4.576 3.855 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.984 -2.798 5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.737 -5.790 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.600 -4.617 7.208 1.00 0.00 H new ATOM 754 N ILE A 50 -1.063 -2.835 4.221 1.00 0.00 N ATOM 755 CA ILE A 50 0.180 -2.875 3.459 1.00 0.00 C ATOM 756 C ILE A 50 1.341 -3.348 4.327 1.00 0.00 C ATOM 757 O ILE A 50 1.545 -2.850 5.434 1.00 0.00 O ATOM 758 CB ILE A 50 0.523 -1.495 2.869 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.655 -0.957 2.054 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.774 -1.583 2.007 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.542 0.516 1.729 1.00 0.00 C ATOM 0 H ILE A 50 -1.340 -1.903 4.528 1.00 0.00 H new ATOM 0 HA ILE A 50 0.028 -3.582 2.643 1.00 0.00 H new ATOM 0 HB ILE A 50 0.718 -0.804 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.731 -1.521 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.578 -1.129 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.003 -0.599 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.611 -1.927 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.605 -2.286 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.411 0.829 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.497 1.090 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.363 0.692 1.148 1.00 0.00 H new ATOM 773 N ARG A 51 2.101 -4.311 3.815 1.00 0.00 N ATOM 774 CA ARG A 51 3.243 -4.851 4.543 1.00 0.00 C ATOM 775 C ARG A 51 4.537 -4.633 3.764 1.00 0.00 C ATOM 776 O ARG A 51 4.750 -5.237 2.713 1.00 0.00 O ATOM 777 CB ARG A 51 3.043 -6.343 4.814 1.00 0.00 C ATOM 778 CG ARG A 51 3.852 -6.862 5.991 1.00 0.00 C ATOM 779 CD ARG A 51 3.178 -6.539 7.316 1.00 0.00 C ATOM 780 NE ARG A 51 2.251 -7.590 7.729 1.00 0.00 N ATOM 781 CZ ARG A 51 2.624 -8.838 7.988 1.00 0.00 C ATOM 782 NH1 ARG A 51 3.897 -9.190 7.879 1.00 0.00 N ATOM 783 NH2 ARG A 51 1.721 -9.737 8.359 1.00 0.00 N ATOM 0 H ARG A 51 1.946 -4.733 2.899 1.00 0.00 H new ATOM 0 HA ARG A 51 3.318 -4.323 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.986 -6.531 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.315 -6.906 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.979 -7.941 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.849 -6.421 5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.938 -6.403 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.640 -5.595 7.229 1.00 0.00 H new ATOM 0 HE ARG A 51 1.264 -7.352 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.594 -8.501 7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.180 -10.149 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.741 -9.469 8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.007 -10.696 8.558 1.00 0.00 H new ATOM 797 N PHE A 52 5.397 -3.766 4.287 1.00 0.00 N ATOM 798 CA PHE A 52 6.669 -3.466 3.640 1.00 0.00 C ATOM 799 C PHE A 52 7.708 -4.536 3.962 1.00 0.00 C ATOM 800 O PHE A 52 7.633 -5.224 4.981 1.00 0.00 O ATOM 801 CB PHE A 52 7.180 -2.094 4.082 1.00 0.00 C ATOM 802 CG PHE A 52 6.436 -0.948 3.459 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.276 -0.460 4.039 1.00 0.00 C ATOM 804 CD2 PHE A 52 6.897 -0.357 2.293 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.589 0.594 3.466 1.00 0.00 C ATOM 806 CE2 PHE A 52 6.214 0.697 1.716 1.00 0.00 C ATOM 807 CZ PHE A 52 5.059 1.174 2.305 1.00 0.00 C ATOM 0 H PHE A 52 5.236 -3.259 5.157 1.00 0.00 H new ATOM 0 HA PHE A 52 6.506 -3.455 2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.104 -2.019 5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.237 -2.010 3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.904 -0.908 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.801 -0.725 1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.685 0.964 3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.583 1.147 0.806 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.525 1.999 1.858 1.00 0.00 H new ATOM 817 N PRO A 53 8.702 -4.682 3.073 1.00 0.00 N ATOM 818 CA PRO A 53 9.776 -5.666 3.240 1.00 0.00 C ATOM 819 C PRO A 53 10.719 -5.306 4.383 1.00 0.00 C ATOM 820 O PRO A 53 11.357 -4.254 4.365 1.00 0.00 O ATOM 821 CB PRO A 53 10.515 -5.615 1.901 1.00 0.00 C ATOM 822 CG PRO A 53 10.238 -4.253 1.367 1.00 0.00 C ATOM 823 CD PRO A 53 8.855 -3.897 1.837 1.00 0.00 C ATOM 0 HA PRO A 53 9.389 -6.653 3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.585 -5.779 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.156 -6.387 1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.971 -3.534 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.295 -4.242 0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.757 -2.828 2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.099 -4.161 1.097 1.00 0.00 H new ATOM 831 N GLN A 54 10.802 -6.187 5.375 1.00 0.00 N ATOM 832 CA GLN A 54 11.668 -5.961 6.526 1.00 0.00 C ATOM 833 C GLN A 54 13.127 -5.847 6.096 1.00 0.00 C ATOM 834 O GLN A 54 13.457 -6.044 4.927 1.00 0.00 O ATOM 835 CB GLN A 54 11.510 -7.095 7.541 1.00 0.00 C ATOM 836 CG GLN A 54 11.772 -8.474 6.957 1.00 0.00 C ATOM 837 CD GLN A 54 11.830 -9.556 8.017 1.00 0.00 C ATOM 838 OE1 GLN A 54 11.018 -10.482 8.022 1.00 0.00 O ATOM 839 NE2 GLN A 54 12.793 -9.444 8.924 1.00 0.00 N ATOM 0 H GLN A 54 10.280 -7.063 5.405 1.00 0.00 H new ATOM 0 HA GLN A 54 11.371 -5.022 6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.194 -6.925 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.500 -7.068 7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.988 -8.715 6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.713 -8.459 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.444 -8.660 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.881 -10.142 9.663 1.00 0.00 H new ATOM 848 N SER A 55 13.996 -5.526 7.049 1.00 0.00 N ATOM 849 CA SER A 55 15.420 -5.382 6.768 1.00 0.00 C ATOM 850 C SER A 55 15.988 -6.664 6.168 1.00 0.00 C ATOM 851 O SER A 55 16.825 -6.623 5.267 1.00 0.00 O ATOM 852 CB SER A 55 16.180 -5.023 8.046 1.00 0.00 C ATOM 853 OG SER A 55 17.406 -4.379 7.747 1.00 0.00 O ATOM 0 H SER A 55 13.739 -5.361 8.022 1.00 0.00 H new ATOM 0 HA SER A 55 15.542 -4.577 6.043 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.566 -4.371 8.667 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.372 -5.927 8.625 1.00 0.00 H new ATOM 0 HG SER A 55 17.872 -4.159 8.581 1.00 0.00 H new ATOM 859 N GLY A 56 15.526 -7.803 6.674 1.00 0.00 N ATOM 860 CA GLY A 56 15.998 -9.082 6.177 1.00 0.00 C ATOM 861 C GLY A 56 15.022 -9.726 5.213 1.00 0.00 C ATOM 862 O GLY A 56 14.988 -10.948 5.077 1.00 0.00 O ATOM 0 H GLY A 56 14.833 -7.863 7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.957 -8.943 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.170 -9.754 7.018 1.00 0.00 H new ATOM 866 N ALA A 57 14.223 -8.901 4.543 1.00 0.00 N ATOM 867 CA ALA A 57 13.241 -9.397 3.587 1.00 0.00 C ATOM 868 C ALA A 57 13.908 -9.803 2.277 1.00 0.00 C ATOM 869 O ALA A 57 14.946 -9.267 1.888 1.00 0.00 O ATOM 870 CB ALA A 57 12.173 -8.344 3.333 1.00 0.00 C ATOM 0 H ALA A 57 14.237 -7.886 4.645 1.00 0.00 H new ATOM 0 HA ALA A 57 12.769 -10.282 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.446 -8.728 2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.668 -8.104 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.638 -7.444 2.931 1.00 0.00 H new ATOM 876 N PRO A 58 13.299 -10.773 1.578 1.00 0.00 N ATOM 877 CA PRO A 58 13.817 -11.272 0.301 1.00 0.00 C ATOM 878 C PRO A 58 13.684 -10.246 -0.820 1.00 0.00 C ATOM 879 O PRO A 58 14.547 -10.151 -1.693 1.00 0.00 O ATOM 880 CB PRO A 58 12.939 -12.493 0.015 1.00 0.00 C ATOM 881 CG PRO A 58 11.670 -12.228 0.750 1.00 0.00 C ATOM 882 CD PRO A 58 12.059 -11.456 1.981 1.00 0.00 C ATOM 0 HA PRO A 58 14.882 -11.498 0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.760 -12.610 -1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.413 -13.411 0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.974 -11.657 0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.170 -13.160 1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.285 -10.745 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.222 -12.115 2.834 1.00 0.00 H new ATOM 890 N ASP A 59 12.599 -9.481 -0.789 1.00 0.00 N ATOM 891 CA ASP A 59 12.354 -8.460 -1.801 1.00 0.00 C ATOM 892 C ASP A 59 12.171 -7.089 -1.158 1.00 0.00 C ATOM 893 O ASP A 59 11.062 -6.681 -0.812 1.00 0.00 O ATOM 894 CB ASP A 59 11.117 -8.818 -2.628 1.00 0.00 C ATOM 895 CG ASP A 59 11.389 -9.927 -3.625 1.00 0.00 C ATOM 896 OD1 ASP A 59 12.361 -9.804 -4.399 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.629 -10.918 -3.632 1.00 0.00 O ATOM 0 H ASP A 59 11.875 -9.548 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 59 13.223 -8.420 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.312 -9.124 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.770 -7.932 -3.160 1.00 0.00 H new ATOM 902 N PRO A 60 13.285 -6.360 -0.992 1.00 0.00 N ATOM 903 CA PRO A 60 13.274 -5.024 -0.388 1.00 0.00 C ATOM 904 C PRO A 60 12.612 -3.987 -1.289 1.00 0.00 C ATOM 905 O PRO A 60 12.488 -2.820 -0.920 1.00 0.00 O ATOM 906 CB PRO A 60 14.760 -4.705 -0.208 1.00 0.00 C ATOM 907 CG PRO A 60 15.452 -5.526 -1.239 1.00 0.00 C ATOM 908 CD PRO A 60 14.641 -6.784 -1.381 1.00 0.00 C ATOM 0 HA PRO A 60 12.703 -5.000 0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.957 -3.642 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.101 -4.960 0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.512 -4.992 -2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.474 -5.753 -0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.666 -7.165 -2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.015 -7.578 -0.735 1.00 0.00 H new ATOM 916 N ASN A 61 12.187 -4.421 -2.471 1.00 0.00 N ATOM 917 CA ASN A 61 11.537 -3.529 -3.424 1.00 0.00 C ATOM 918 C ASN A 61 10.104 -3.976 -3.697 1.00 0.00 C ATOM 919 O ASN A 61 9.458 -3.492 -4.627 1.00 0.00 O ATOM 920 CB ASN A 61 12.327 -3.485 -4.733 1.00 0.00 C ATOM 921 CG ASN A 61 12.911 -4.835 -5.103 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.180 -5.803 -5.313 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.234 -4.905 -5.182 1.00 0.00 N ATOM 0 H ASN A 61 12.281 -5.385 -2.792 1.00 0.00 H new ATOM 0 HA ASN A 61 11.511 -2.530 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.675 -3.142 -5.536 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.133 -2.756 -4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.684 -5.787 -5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.800 -4.077 -5.000 1.00 0.00 H new ATOM 930 N CYS A 62 9.613 -4.901 -2.880 1.00 0.00 N ATOM 931 CA CYS A 62 8.256 -5.414 -3.033 1.00 0.00 C ATOM 932 C CYS A 62 7.490 -5.328 -1.716 1.00 0.00 C ATOM 933 O CYS A 62 8.058 -5.527 -0.642 1.00 0.00 O ATOM 934 CB CYS A 62 8.287 -6.861 -3.525 1.00 0.00 C ATOM 935 SG CYS A 62 6.790 -7.378 -4.396 1.00 0.00 S ATOM 0 H CYS A 62 10.134 -5.311 -2.105 1.00 0.00 H new ATOM 0 HA CYS A 62 7.743 -4.798 -3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.143 -6.990 -4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.443 -7.520 -2.671 1.00 0.00 H new ATOM 0 HG CYS A 62 6.005 -8.008 -3.573 1.00 0.00 H new ATOM 941 N VAL A 63 6.199 -5.028 -1.807 1.00 0.00 N ATOM 942 CA VAL A 63 5.355 -4.915 -0.623 1.00 0.00 C ATOM 943 C VAL A 63 4.189 -5.895 -0.683 1.00 0.00 C ATOM 944 O VAL A 63 3.556 -6.062 -1.726 1.00 0.00 O ATOM 945 CB VAL A 63 4.802 -3.486 -0.462 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.929 -2.467 -0.529 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.749 -3.200 -1.523 1.00 0.00 C ATOM 0 H VAL A 63 5.714 -4.859 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 63 5.982 -5.153 0.236 1.00 0.00 H new ATOM 0 HB VAL A 63 4.330 -3.405 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.520 -1.463 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.644 -2.662 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.433 -2.545 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.369 -2.186 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.194 -3.298 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.929 -3.911 -1.422 1.00 0.00 H new ATOM 957 N THR A 64 3.910 -6.544 0.443 1.00 0.00 N ATOM 958 CA THR A 64 2.820 -7.509 0.520 1.00 0.00 C ATOM 959 C THR A 64 1.530 -6.846 0.987 1.00 0.00 C ATOM 960 O THR A 64 1.353 -6.578 2.175 1.00 0.00 O ATOM 961 CB THR A 64 3.163 -8.669 1.474 1.00 0.00 C ATOM 962 OG1 THR A 64 4.178 -9.496 0.895 1.00 0.00 O ATOM 963 CG2 THR A 64 1.929 -9.506 1.773 1.00 0.00 C ATOM 0 H THR A 64 4.424 -6.419 1.315 1.00 0.00 H new ATOM 0 HA THR A 64 2.678 -7.905 -0.485 1.00 0.00 H new ATOM 0 HB THR A 64 3.530 -8.245 2.409 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.391 -10.230 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.196 -10.319 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.169 -8.880 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.536 -9.920 0.844 1.00 0.00 H new ATOM 971 N VAL A 65 0.630 -6.583 0.044 1.00 0.00 N ATOM 972 CA VAL A 65 -0.646 -5.953 0.360 1.00 0.00 C ATOM 973 C VAL A 65 -1.714 -6.997 0.667 1.00 0.00 C ATOM 974 O VAL A 65 -1.887 -7.962 -0.078 1.00 0.00 O ATOM 975 CB VAL A 65 -1.133 -5.061 -0.798 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.437 -4.370 -0.427 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.067 -4.042 -1.169 1.00 0.00 C ATOM 0 H VAL A 65 0.761 -6.797 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.484 -5.334 1.242 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.318 -5.692 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.766 -3.744 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.199 -5.120 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.282 -3.750 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.428 -3.420 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.152 -3.413 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.840 -4.561 -1.479 1.00 0.00 H new ATOM 987 N THR A 66 -2.430 -6.797 1.769 1.00 0.00 N ATOM 988 CA THR A 66 -3.481 -7.720 2.176 1.00 0.00 C ATOM 989 C THR A 66 -4.861 -7.099 1.992 1.00 0.00 C ATOM 990 O THR A 66 -4.997 -5.879 1.910 1.00 0.00 O ATOM 991 CB THR A 66 -3.315 -8.149 3.646 1.00 0.00 C ATOM 992 OG1 THR A 66 -1.925 -8.289 3.961 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.036 -9.461 3.912 1.00 0.00 C ATOM 0 H THR A 66 -2.301 -6.003 2.396 1.00 0.00 H new ATOM 0 HA THR A 66 -3.393 -8.599 1.537 1.00 0.00 H new ATOM 0 HB THR A 66 -3.754 -7.378 4.279 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.527 -7.402 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.904 -9.743 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.098 -9.342 3.699 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.623 -10.240 3.271 1.00 0.00 H new ATOM 1001 N GLY A 67 -5.883 -7.946 1.929 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.240 -7.461 1.756 1.00 0.00 C ATOM 1003 C GLY A 67 -7.929 -8.081 0.557 1.00 0.00 C ATOM 1004 O GLY A 67 -7.307 -8.807 -0.219 1.00 0.00 O ATOM 0 H GLY A 67 -5.796 -8.960 1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.817 -7.678 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.223 -6.377 1.641 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.218 -7.795 0.404 1.00 0.00 N ATOM 1009 CA LEU A 68 -9.994 -8.332 -0.709 1.00 0.00 C ATOM 1010 C LEU A 68 -9.353 -7.967 -2.045 1.00 0.00 C ATOM 1011 O LEU A 68 -8.630 -6.978 -2.165 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.428 -7.803 -0.658 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.330 -8.414 0.415 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.551 -9.895 0.148 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -11.732 -8.203 1.798 1.00 0.00 C ATOM 0 H LEU A 68 -9.747 -7.195 1.036 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.010 -9.418 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.391 -6.725 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.890 -7.969 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.297 -7.912 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.195 -10.312 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.024 -10.023 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.592 -10.413 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.387 -8.644 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.752 -8.678 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.627 -7.135 1.990 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.625 -8.784 -3.074 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.087 -8.566 -4.420 1.00 0.00 C ATOM 1029 C PRO A 69 -9.700 -7.346 -5.099 1.00 0.00 C ATOM 1030 O PRO A 69 -9.195 -6.873 -6.116 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.475 -9.845 -5.167 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.673 -10.357 -4.445 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.479 -9.981 -3.002 1.00 0.00 C ATOM 0 HA PRO A 69 -8.014 -8.373 -4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.701 -9.639 -6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.664 -10.573 -5.154 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.587 -9.916 -4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.765 -11.437 -4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.429 -9.768 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.001 -10.782 -2.439 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.789 -6.841 -4.528 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.469 -5.675 -5.080 1.00 0.00 C ATOM 1043 C GLU A 70 -10.922 -4.387 -4.470 1.00 0.00 C ATOM 1044 O GLU A 70 -10.923 -3.337 -5.110 1.00 0.00 O ATOM 1045 CB GLU A 70 -12.976 -5.771 -4.830 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.358 -5.661 -3.364 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.855 -5.759 -3.142 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.605 -5.046 -3.840 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.276 -6.549 -2.271 1.00 0.00 O ATOM 0 H GLU A 70 -11.219 -7.220 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.286 -5.654 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.479 -4.981 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.341 -6.721 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.859 -6.450 -2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.997 -4.711 -2.969 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.456 -4.478 -3.229 1.00 0.00 N ATOM 1057 CA ASN A 71 -9.907 -3.321 -2.532 1.00 0.00 C ATOM 1058 C ASN A 71 -8.413 -3.179 -2.806 1.00 0.00 C ATOM 1059 O ASN A 71 -7.904 -2.071 -2.973 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.152 -3.442 -1.027 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.616 -3.282 -0.664 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.304 -2.404 -1.186 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.099 -4.131 0.235 1.00 0.00 N ATOM 0 H ASN A 71 -10.448 -5.341 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.413 -2.430 -2.905 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.799 -4.414 -0.681 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.566 -2.686 -0.504 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.077 -4.071 0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.492 -4.843 0.642 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.715 -4.310 -2.851 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.280 -4.313 -3.106 1.00 0.00 C ATOM 1072 C VAL A 72 -5.957 -3.637 -4.434 1.00 0.00 C ATOM 1073 O VAL A 72 -5.125 -2.731 -4.494 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.715 -5.746 -3.121 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.330 -5.767 -3.749 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.681 -6.319 -1.713 1.00 0.00 C ATOM 0 H VAL A 72 -8.121 -5.236 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.813 -3.755 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.371 -6.371 -3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.947 -6.787 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.389 -5.400 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.660 -5.129 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.279 -7.332 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.048 -5.695 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.691 -6.341 -1.305 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.620 -4.083 -5.496 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.402 -3.520 -6.824 1.00 0.00 C ATOM 1088 C GLU A 73 -6.464 -1.996 -6.786 1.00 0.00 C ATOM 1089 O GLU A 73 -5.677 -1.317 -7.443 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.442 -4.060 -7.807 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.875 -3.736 -7.417 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.864 -4.040 -8.525 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.461 -4.009 -9.707 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -11.042 -4.310 -8.210 1.00 0.00 O ATOM 0 H GLU A 73 -7.312 -4.832 -5.463 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.408 -3.817 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.242 -3.649 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.331 -5.142 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.144 -4.307 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.946 -2.681 -7.151 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.407 -1.467 -6.012 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.573 -0.024 -5.890 1.00 0.00 C ATOM 1103 C GLU A 74 -6.416 0.593 -5.110 1.00 0.00 C ATOM 1104 O GLU A 74 -5.952 1.687 -5.428 1.00 0.00 O ATOM 1105 CB GLU A 74 -8.899 0.303 -5.200 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.113 -0.270 -5.912 1.00 0.00 C ATOM 1107 CD GLU A 74 -11.418 0.303 -5.394 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -11.690 0.157 -4.184 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -12.167 0.897 -6.198 1.00 0.00 O ATOM 0 H GLU A 74 -8.067 -2.016 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.579 0.401 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.872 -0.080 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.006 1.386 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.031 -0.069 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.123 -1.353 -5.791 1.00 0.00 H new ATOM 1116 N ALA A 75 -5.955 -0.118 -4.086 1.00 0.00 N ATOM 1117 CA ALA A 75 -4.852 0.357 -3.261 1.00 0.00 C ATOM 1118 C ALA A 75 -3.565 0.461 -4.072 1.00 0.00 C ATOM 1119 O ALA A 75 -2.851 1.462 -3.995 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.652 -0.563 -2.065 1.00 0.00 C ATOM 0 H ALA A 75 -6.329 -1.025 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.105 1.354 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.825 -0.196 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.562 -0.583 -1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.426 -1.570 -2.415 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.274 -0.577 -4.848 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.073 -0.602 -5.673 1.00 0.00 C ATOM 1128 C ILE A 76 -1.985 0.641 -6.552 1.00 0.00 C ATOM 1129 O ILE A 76 -0.991 1.367 -6.521 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.030 -1.854 -6.568 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.089 -3.121 -5.713 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.776 -1.847 -7.429 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.525 -4.349 -6.481 1.00 0.00 C ATOM 0 H ILE A 76 -3.854 -1.413 -4.923 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.222 -0.624 -4.992 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.899 -1.842 -7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.105 -3.303 -5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.777 -2.958 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.760 -2.738 -8.056 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.773 -0.959 -8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.105 -1.839 -6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.544 -5.209 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.522 -4.187 -6.891 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.824 -4.537 -7.294 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.032 0.881 -7.334 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.075 2.038 -8.221 1.00 0.00 C ATOM 1147 C ASP A 77 -2.631 3.301 -7.488 1.00 0.00 C ATOM 1148 O ASP A 77 -1.963 4.161 -8.062 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.486 2.227 -8.780 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.498 3.046 -10.056 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.438 3.143 -10.709 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.568 3.589 -10.401 1.00 0.00 O ATOM 0 H ASP A 77 -3.862 0.290 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.387 1.858 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.931 1.251 -8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.108 2.717 -8.031 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.007 3.405 -6.218 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.649 4.563 -5.407 1.00 0.00 C ATOM 1159 C HIS A 78 -1.175 4.516 -5.015 1.00 0.00 C ATOM 1160 O HIS A 78 -0.481 5.532 -5.048 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.521 4.623 -4.152 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.218 5.793 -3.268 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.145 6.769 -2.967 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.083 6.141 -2.617 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.593 7.667 -2.170 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.342 7.309 -1.942 1.00 0.00 N ATOM 0 H HIS A 78 -3.560 2.702 -5.728 1.00 0.00 H new ATOM 0 HA HIS A 78 -2.821 5.460 -6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.569 4.664 -4.449 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.387 3.703 -3.582 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.106 6.794 -3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.148 5.601 -2.627 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.082 8.544 -1.773 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.704 3.330 -4.643 1.00 0.00 N ATOM 1175 CA ILE A 79 0.687 3.151 -4.245 1.00 0.00 C ATOM 1176 C ILE A 79 1.635 3.533 -5.376 1.00 0.00 C ATOM 1177 O ILE A 79 2.476 4.421 -5.223 1.00 0.00 O ATOM 1178 CB ILE A 79 0.969 1.698 -3.821 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.094 1.312 -2.627 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.442 1.520 -3.485 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.136 -0.163 -2.298 1.00 0.00 C ATOM 0 H ILE A 79 -1.265 2.479 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 79 0.859 3.808 -3.393 1.00 0.00 H new ATOM 0 HB ILE A 79 0.724 1.039 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.415 1.880 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.937 1.600 -2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.625 0.488 -3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.046 1.758 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.712 2.187 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.508 -0.363 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.213 -0.737 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.159 -0.453 -2.059 1.00 0.00 H new ATOM 1193 N LEU A 80 1.495 2.858 -6.511 1.00 0.00 N ATOM 1194 CA LEU A 80 2.338 3.127 -7.671 1.00 0.00 C ATOM 1195 C LEU A 80 2.190 4.575 -8.128 1.00 0.00 C ATOM 1196 O LEU A 80 3.135 5.175 -8.637 1.00 0.00 O ATOM 1197 CB LEU A 80 1.981 2.180 -8.817 1.00 0.00 C ATOM 1198 CG LEU A 80 2.736 0.851 -8.850 1.00 0.00 C ATOM 1199 CD1 LEU A 80 2.112 -0.094 -9.865 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.207 1.080 -9.166 1.00 0.00 C ATOM 0 H LEU A 80 0.805 2.120 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 80 3.375 2.961 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.913 1.967 -8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.158 2.699 -9.759 1.00 0.00 H new ATOM 0 HG LEU A 80 2.664 0.391 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.663 -1.034 -9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.074 -0.285 -9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.151 0.359 -10.856 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.728 0.123 -9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.299 1.563 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.648 1.718 -8.401 1.00 0.00 H new ATOM 1212 N ASN A 81 0.997 5.130 -7.940 1.00 0.00 N ATOM 1213 CA ASN A 81 0.725 6.509 -8.331 1.00 0.00 C ATOM 1214 C ASN A 81 1.703 7.468 -7.659 1.00 0.00 C ATOM 1215 O ASN A 81 2.265 8.353 -8.306 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.711 6.890 -7.969 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.885 8.386 -7.791 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.296 9.182 -8.523 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.697 8.775 -6.815 1.00 0.00 N ATOM 0 H ASN A 81 0.203 4.646 -7.520 1.00 0.00 H new ATOM 0 HA ASN A 81 0.853 6.586 -9.411 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.385 6.539 -8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.998 6.382 -7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.853 9.769 -6.647 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.164 8.080 -6.233 1.00 0.00 H new ATOM 1226 N LEU A 82 1.902 7.286 -6.358 1.00 0.00 N ATOM 1227 CA LEU A 82 2.812 8.134 -5.597 1.00 0.00 C ATOM 1228 C LEU A 82 4.262 7.859 -5.982 1.00 0.00 C ATOM 1229 O LEU A 82 5.044 8.784 -6.197 1.00 0.00 O ATOM 1230 CB LEU A 82 2.618 7.908 -4.097 1.00 0.00 C ATOM 1231 CG LEU A 82 1.190 8.066 -3.574 1.00 0.00 C ATOM 1232 CD1 LEU A 82 1.112 7.671 -2.107 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.706 9.495 -3.769 1.00 0.00 C ATOM 0 H LEU A 82 1.445 6.558 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 82 2.584 9.173 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.964 6.903 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.260 8.605 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 82 0.540 7.402 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.088 7.790 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.417 6.631 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.775 8.309 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.312 9.589 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.359 10.178 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.724 9.743 -4.830 1.00 0.00 H new ATOM 1245 N GLU A 83 4.614 6.579 -6.067 1.00 0.00 N ATOM 1246 CA GLU A 83 5.970 6.183 -6.426 1.00 0.00 C ATOM 1247 C GLU A 83 6.565 7.145 -7.450 1.00 0.00 C ATOM 1248 O GLU A 83 7.691 7.615 -7.293 1.00 0.00 O ATOM 1249 CB GLU A 83 5.977 4.758 -6.985 1.00 0.00 C ATOM 1250 CG GLU A 83 7.372 4.185 -7.172 1.00 0.00 C ATOM 1251 CD GLU A 83 7.427 3.125 -8.255 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.607 2.184 -8.206 1.00 0.00 O ATOM 1253 OE2 GLU A 83 8.289 3.237 -9.151 1.00 0.00 O ATOM 0 H GLU A 83 3.979 5.800 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 83 6.582 6.216 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.414 4.110 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.458 4.750 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.061 4.991 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.713 3.755 -6.230 1.00 0.00 H new ATOM 1260 N GLU A 84 5.799 7.432 -8.498 1.00 0.00 N ATOM 1261 CA GLU A 84 6.252 8.338 -9.548 1.00 0.00 C ATOM 1262 C GLU A 84 6.338 9.771 -9.032 1.00 0.00 C ATOM 1263 O GLU A 84 7.369 10.428 -9.166 1.00 0.00 O ATOM 1264 CB GLU A 84 5.306 8.273 -10.750 1.00 0.00 C ATOM 1265 CG GLU A 84 5.918 8.805 -12.035 1.00 0.00 C ATOM 1266 CD GLU A 84 6.570 10.162 -11.853 1.00 0.00 C ATOM 1267 OE1 GLU A 84 5.833 11.165 -11.749 1.00 0.00 O ATOM 1268 OE2 GLU A 84 7.817 10.220 -11.815 1.00 0.00 O ATOM 0 H GLU A 84 4.864 7.051 -8.643 1.00 0.00 H new ATOM 0 HA GLU A 84 7.248 8.023 -9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.999 7.239 -10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.405 8.843 -10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.660 8.095 -12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.144 8.878 -12.799 1.00 0.00 H new ATOM 1275 N GLU A 85 5.246 10.247 -8.441 1.00 0.00 N ATOM 1276 CA GLU A 85 5.198 11.603 -7.905 1.00 0.00 C ATOM 1277 C GLU A 85 6.456 11.914 -7.099 1.00 0.00 C ATOM 1278 O GLU A 85 7.009 13.010 -7.190 1.00 0.00 O ATOM 1279 CB GLU A 85 3.958 11.784 -7.027 1.00 0.00 C ATOM 1280 CG GLU A 85 3.892 13.138 -6.340 1.00 0.00 C ATOM 1281 CD GLU A 85 3.761 14.285 -7.323 1.00 0.00 C ATOM 1282 OE1 GLU A 85 4.592 14.368 -8.252 1.00 0.00 O ATOM 1283 OE2 GLU A 85 2.828 15.100 -7.164 1.00 0.00 O ATOM 0 H GLU A 85 4.384 9.715 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 85 5.145 12.297 -8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.066 11.653 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.942 11.000 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.044 13.153 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.790 13.280 -5.739 1.00 0.00 H new ATOM 1290 N TYR A 86 6.901 10.943 -6.310 1.00 0.00 N ATOM 1291 CA TYR A 86 8.091 11.113 -5.486 1.00 0.00 C ATOM 1292 C TYR A 86 9.359 10.985 -6.325 1.00 0.00 C ATOM 1293 O TYR A 86 10.276 11.800 -6.214 1.00 0.00 O ATOM 1294 CB TYR A 86 8.107 10.080 -4.357 1.00 0.00 C ATOM 1295 CG TYR A 86 7.104 10.364 -3.263 1.00 0.00 C ATOM 1296 CD1 TYR A 86 7.099 11.582 -2.595 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.159 9.413 -2.897 1.00 0.00 C ATOM 1298 CE1 TYR A 86 6.185 11.845 -1.594 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.239 9.668 -1.898 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.256 10.885 -1.249 1.00 0.00 C ATOM 1301 OH TYR A 86 4.342 11.143 -0.253 1.00 0.00 O ATOM 0 H TYR A 86 6.455 10.030 -6.224 1.00 0.00 H new ATOM 0 HA TYR A 86 8.062 12.114 -5.055 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.906 9.094 -4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.106 10.045 -3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.823 12.337 -2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.143 8.458 -3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.197 12.797 -1.084 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.510 8.918 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 86 4.597 10.657 0.559 1.00 0.00 H new ATOM 1311 N LEU A 87 9.402 9.958 -7.166 1.00 0.00 N ATOM 1312 CA LEU A 87 10.556 9.722 -8.027 1.00 0.00 C ATOM 1313 C LEU A 87 10.875 10.958 -8.861 1.00 0.00 C ATOM 1314 O LEU A 87 12.031 11.210 -9.200 1.00 0.00 O ATOM 1315 CB LEU A 87 10.297 8.526 -8.944 1.00 0.00 C ATOM 1316 CG LEU A 87 10.385 7.147 -8.291 1.00 0.00 C ATOM 1317 CD1 LEU A 87 9.694 6.102 -9.153 1.00 0.00 C ATOM 1318 CD2 LEU A 87 11.838 6.764 -8.047 1.00 0.00 C ATOM 0 H LEU A 87 8.651 9.275 -7.270 1.00 0.00 H new ATOM 0 HA LEU A 87 11.414 9.505 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.304 8.637 -9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.012 8.563 -9.766 1.00 0.00 H new ATOM 0 HG LEU A 87 9.874 7.189 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.767 5.127 -8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.644 6.368 -9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.175 6.061 -10.130 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.881 5.779 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.372 6.740 -8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.302 7.498 -7.388 1.00 0.00 H new ATOM 1330 N ALA A 88 9.842 11.728 -9.187 1.00 0.00 N ATOM 1331 CA ALA A 88 10.012 12.941 -9.978 1.00 0.00 C ATOM 1332 C ALA A 88 11.018 13.884 -9.327 1.00 0.00 C ATOM 1333 O ALA A 88 11.638 14.708 -10.001 1.00 0.00 O ATOM 1334 CB ALA A 88 8.675 13.640 -10.167 1.00 0.00 C ATOM 0 H ALA A 88 8.878 11.533 -8.915 1.00 0.00 H new ATOM 0 HA ALA A 88 10.401 12.656 -10.956 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.817 14.544 -10.759 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.985 12.973 -10.684 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.262 13.905 -9.194 1.00 0.00 H new ATOM 1340 N ASP A 89 11.174 13.760 -8.014 1.00 0.00 N ATOM 1341 CA ASP A 89 12.105 14.601 -7.271 1.00 0.00 C ATOM 1342 C ASP A 89 13.494 13.972 -7.231 1.00 0.00 C ATOM 1343 O ASP A 89 14.075 13.792 -6.161 1.00 0.00 O ATOM 1344 CB ASP A 89 11.595 14.831 -5.848 1.00 0.00 C ATOM 1345 CG ASP A 89 12.263 16.014 -5.177 1.00 0.00 C ATOM 1346 OD1 ASP A 89 12.756 16.906 -5.899 1.00 0.00 O ATOM 1347 OD2 ASP A 89 12.293 16.050 -3.929 1.00 0.00 O ATOM 0 H ASP A 89 10.667 13.085 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 89 12.175 15.561 -7.783 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.517 14.992 -5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.769 13.934 -5.254 1.00 0.00 H new ATOM 1352 N SER A 90 14.021 13.637 -8.405 1.00 0.00 N ATOM 1353 CA SER A 90 15.339 13.023 -8.504 1.00 0.00 C ATOM 1354 C SER A 90 16.289 13.901 -9.312 1.00 0.00 C ATOM 1355 O SER A 90 17.432 14.127 -8.917 1.00 0.00 O ATOM 1356 CB SER A 90 15.233 11.639 -9.148 1.00 0.00 C ATOM 1357 OG SER A 90 16.517 11.089 -9.388 1.00 0.00 O ATOM 0 H SER A 90 13.555 13.781 -9.301 1.00 0.00 H new ATOM 0 HA SER A 90 15.740 12.917 -7.496 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.665 10.974 -8.497 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.684 11.712 -10.087 1.00 0.00 H new ATOM 0 HG SER A 90 16.422 10.204 -9.798 1.00 0.00 H new ATOM 1363 N GLY A 91 15.806 14.395 -10.449 1.00 0.00 N ATOM 1364 CA GLY A 91 16.623 15.243 -11.296 1.00 0.00 C ATOM 1365 C GLY A 91 17.132 14.517 -12.525 1.00 0.00 C ATOM 1366 O GLY A 91 17.392 13.314 -12.499 1.00 0.00 O ATOM 0 H GLY A 91 14.863 14.222 -10.798 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.041 16.111 -11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.471 15.616 -10.721 1.00 0.00 H new ATOM 1370 N PRO A 92 17.279 15.256 -13.635 1.00 0.00 N ATOM 1371 CA PRO A 92 17.759 14.695 -14.902 1.00 0.00 C ATOM 1372 C PRO A 92 19.234 14.312 -14.844 1.00 0.00 C ATOM 1373 O PRO A 92 19.681 13.416 -15.560 1.00 0.00 O ATOM 1374 CB PRO A 92 17.542 15.835 -15.900 1.00 0.00 C ATOM 1375 CG PRO A 92 17.572 17.073 -15.072 1.00 0.00 C ATOM 1376 CD PRO A 92 16.988 16.695 -13.739 1.00 0.00 C ATOM 0 HA PRO A 92 17.236 13.775 -15.164 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.322 15.849 -16.661 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.590 15.730 -16.421 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.591 17.443 -14.961 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.993 17.869 -15.540 1.00 0.00 H new ATOM 0 HD2 PRO A 92 17.446 17.257 -12.925 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.917 16.892 -13.699 1.00 0.00 H new ATOM 1384 N SER A 93 19.985 14.995 -13.986 1.00 0.00 N ATOM 1385 CA SER A 93 21.411 14.728 -13.837 1.00 0.00 C ATOM 1386 C SER A 93 21.643 13.420 -13.087 1.00 0.00 C ATOM 1387 O SER A 93 21.048 13.180 -12.036 1.00 0.00 O ATOM 1388 CB SER A 93 22.092 15.881 -13.098 1.00 0.00 C ATOM 1389 OG SER A 93 21.585 16.013 -11.781 1.00 0.00 O ATOM 0 H SER A 93 19.630 15.737 -13.383 1.00 0.00 H new ATOM 0 HA SER A 93 21.845 14.637 -14.833 1.00 0.00 H new ATOM 0 HB2 SER A 93 23.168 15.709 -13.061 1.00 0.00 H new ATOM 0 HB3 SER A 93 21.937 16.810 -13.646 1.00 0.00 H new ATOM 0 HG SER A 93 21.318 15.133 -11.444 1.00 0.00 H new ATOM 1395 N SER A 94 22.512 12.577 -13.635 1.00 0.00 N ATOM 1396 CA SER A 94 22.822 11.291 -13.021 1.00 0.00 C ATOM 1397 C SER A 94 23.308 11.477 -11.587 1.00 0.00 C ATOM 1398 O SER A 94 23.950 12.475 -11.262 1.00 0.00 O ATOM 1399 CB SER A 94 23.882 10.553 -13.840 1.00 0.00 C ATOM 1400 OG SER A 94 23.298 9.874 -14.938 1.00 0.00 O ATOM 0 H SER A 94 23.014 12.761 -14.503 1.00 0.00 H new ATOM 0 HA SER A 94 21.909 10.696 -13.002 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.626 11.263 -14.202 1.00 0.00 H new ATOM 0 HB3 SER A 94 24.405 9.839 -13.204 1.00 0.00 H new ATOM 0 HG SER A 94 23.997 9.412 -15.446 1.00 0.00 H new ATOM 1406 N GLY A 95 22.997 10.507 -10.733 1.00 0.00 N ATOM 1407 CA GLY A 95 23.409 10.581 -9.343 1.00 0.00 C ATOM 1408 C GLY A 95 24.876 10.934 -9.192 1.00 0.00 C ATOM 1409 O GLY A 95 25.628 10.216 -8.533 1.00 0.00 O ATOM 0 H GLY A 95 22.467 9.671 -10.979 1.00 0.00 H new ATOM 0 HA2 GLY A 95 22.804 11.326 -8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 95 23.217 9.624 -8.859 1.00 0.00 H new TER 1413 GLY A 95