USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 694 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 52 GLN : amide:sc= -10.5! C(o=-10!,f=-8.1!) USER MOD Set 1.2: A 80 ASN : amide:sc= 0 K(o=-10,f=-8.6) USER MOD Single : A 22 MET CE :methyl -149:sc= -4.05! (180deg=-5.66!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -6.47! C(o=-6.5!,f=-9.1!) USER MOD Single : A 27 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.3!) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0295) USER MOD Single : A 33 GLN : amide:sc= -4.9! K(o=-4.9!,f=-2.7) USER MOD Single : A 36 HIS : no HD1:sc= -6.35! C(o=-6.4!,f=-4.1!) USER MOD Single : A 46 HIS : no HD1:sc= -2.09! K(o=-2.1!,f=0.62) USER MOD Single : A 50 LYS NZ :NH3+ -144:sc= -0.267 (180deg=-0.997) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0668 X(o=-0.067,f=-0.48) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 170:sc= -2.73! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -0.716 18.018 4.276 1.00 0.00 N ATOM 2 CA GLY A 17 -0.285 17.629 2.902 1.00 0.00 C ATOM 3 C GLY A 17 0.626 16.403 2.982 1.00 0.00 C ATOM 4 O GLY A 17 1.782 16.499 3.345 1.00 0.00 O ATOM 0 HA2 GLY A 17 -1.156 17.409 2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.242 18.456 2.426 1.00 0.00 H new ATOM 10 N GLU A 18 0.116 15.251 2.646 1.00 0.00 N ATOM 11 CA GLU A 18 0.952 14.016 2.704 1.00 0.00 C ATOM 12 C GLU A 18 0.879 13.262 1.374 1.00 0.00 C ATOM 13 O GLU A 18 -0.123 13.290 0.688 1.00 0.00 O ATOM 14 CB GLU A 18 0.338 13.180 3.830 1.00 0.00 C ATOM 15 CG GLU A 18 0.946 13.601 5.169 1.00 0.00 C ATOM 16 CD GLU A 18 1.672 12.409 5.797 1.00 0.00 C ATOM 17 OE1 GLU A 18 0.995 11.500 6.249 1.00 0.00 O ATOM 18 OE2 GLU A 18 2.891 12.425 5.815 1.00 0.00 O ATOM 0 H GLU A 18 -0.845 15.110 2.333 1.00 0.00 H new ATOM 0 HA GLU A 18 2.004 14.236 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.743 13.317 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.522 12.120 3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.641 14.427 5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.164 13.959 5.839 1.00 0.00 H new ATOM 25 N GLU A 19 1.937 12.589 1.003 1.00 0.00 N ATOM 26 CA GLU A 19 1.931 11.835 -0.282 1.00 0.00 C ATOM 27 C GLU A 19 0.593 11.116 -0.478 1.00 0.00 C ATOM 28 O GLU A 19 -0.030 11.218 -1.515 1.00 0.00 O ATOM 29 CB GLU A 19 3.070 10.825 -0.148 1.00 0.00 C ATOM 30 CG GLU A 19 4.411 11.559 -0.223 1.00 0.00 C ATOM 31 CD GLU A 19 5.092 11.528 1.147 1.00 0.00 C ATOM 32 OE1 GLU A 19 4.420 11.200 2.112 1.00 0.00 O ATOM 33 OE2 GLU A 19 6.271 11.835 1.209 1.00 0.00 O ATOM 0 H GLU A 19 2.805 12.530 1.536 1.00 0.00 H new ATOM 0 HA GLU A 19 2.061 12.489 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.988 10.291 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.006 10.080 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.052 11.090 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.255 12.590 -0.539 1.00 0.00 H new ATOM 40 N PHE A 20 0.147 10.386 0.507 1.00 0.00 N ATOM 41 CA PHE A 20 -1.149 9.660 0.369 1.00 0.00 C ATOM 42 C PHE A 20 -2.187 10.238 1.344 1.00 0.00 C ATOM 43 O PHE A 20 -1.901 11.149 2.095 1.00 0.00 O ATOM 44 CB PHE A 20 -0.803 8.208 0.693 1.00 0.00 C ATOM 45 CG PHE A 20 0.205 7.714 -0.325 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.583 7.885 -0.101 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.236 7.095 -1.504 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.509 7.440 -1.054 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.694 6.653 -2.454 1.00 0.00 C ATOM 50 CZ PHE A 20 2.064 6.826 -2.228 1.00 0.00 C ATOM 0 H PHE A 20 0.622 10.260 1.401 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.592 9.753 -0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.392 8.132 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.701 7.590 0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.928 8.359 0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.293 6.959 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.567 7.572 -0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.353 6.178 -3.362 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.779 6.484 -2.962 1.00 0.00 H new ATOM 60 N ARG A 21 -3.397 9.736 1.328 1.00 0.00 N ATOM 61 CA ARG A 21 -4.441 10.292 2.243 1.00 0.00 C ATOM 62 C ARG A 21 -4.413 9.598 3.604 1.00 0.00 C ATOM 63 O ARG A 21 -4.304 10.231 4.636 1.00 0.00 O ATOM 64 CB ARG A 21 -5.771 10.011 1.547 1.00 0.00 C ATOM 65 CG ARG A 21 -5.842 10.800 0.244 1.00 0.00 C ATOM 66 CD ARG A 21 -5.157 10.001 -0.863 1.00 0.00 C ATOM 67 NE ARG A 21 -5.671 10.592 -2.128 1.00 0.00 N ATOM 68 CZ ARG A 21 -4.991 11.528 -2.731 1.00 0.00 C ATOM 69 NH1 ARG A 21 -4.744 12.653 -2.115 1.00 0.00 N ATOM 70 NH2 ARG A 21 -4.559 11.340 -3.946 1.00 0.00 N ATOM 0 H ARG A 21 -3.705 8.972 0.727 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.279 11.354 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.869 8.945 1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.600 10.289 2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.881 10.995 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.356 11.768 0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.072 10.085 -0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.399 8.941 -0.794 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.553 10.266 -2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.083 12.799 -1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.212 13.386 -2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.753 10.461 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.027 12.072 -4.417 1.00 0.00 H new ATOM 84 N MET A 22 -4.535 8.303 3.617 1.00 0.00 N ATOM 85 CA MET A 22 -4.544 7.571 4.912 1.00 0.00 C ATOM 86 C MET A 22 -3.128 7.379 5.443 1.00 0.00 C ATOM 87 O MET A 22 -2.184 7.217 4.694 1.00 0.00 O ATOM 88 CB MET A 22 -5.178 6.224 4.595 1.00 0.00 C ATOM 89 CG MET A 22 -6.576 6.448 4.030 1.00 0.00 C ATOM 90 SD MET A 22 -7.420 4.857 3.905 1.00 0.00 S ATOM 91 CE MET A 22 -7.238 4.648 2.120 1.00 0.00 C ATOM 0 H MET A 22 -4.629 7.718 2.787 1.00 0.00 H new ATOM 0 HA MET A 22 -5.090 8.117 5.681 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.565 5.680 3.876 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.231 5.612 5.496 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.139 7.123 4.674 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.515 6.920 3.049 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.087 4.087 1.731 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.200 5.626 1.641 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.317 4.105 1.909 1.00 0.00 H new ATOM 101 N GLU A 23 -2.979 7.383 6.735 1.00 0.00 N ATOM 102 CA GLU A 23 -1.632 7.189 7.326 1.00 0.00 C ATOM 103 C GLU A 23 -1.047 5.860 6.851 1.00 0.00 C ATOM 104 O GLU A 23 0.086 5.791 6.440 1.00 0.00 O ATOM 105 CB GLU A 23 -1.859 7.175 8.837 1.00 0.00 C ATOM 106 CG GLU A 23 -0.544 6.867 9.551 1.00 0.00 C ATOM 107 CD GLU A 23 -0.495 7.629 10.875 1.00 0.00 C ATOM 108 OE1 GLU A 23 -1.269 8.561 11.027 1.00 0.00 O ATOM 109 OE2 GLU A 23 0.314 7.270 11.714 1.00 0.00 O ATOM 0 H GLU A 23 -3.734 7.513 7.408 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.929 7.970 7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.245 8.140 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.608 6.427 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.458 5.796 9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.299 7.153 8.923 1.00 0.00 H new ATOM 116 N LYS A 24 -1.812 4.804 6.893 1.00 0.00 N ATOM 117 CA LYS A 24 -1.282 3.488 6.432 1.00 0.00 C ATOM 118 C LYS A 24 -0.443 3.676 5.160 1.00 0.00 C ATOM 119 O LYS A 24 0.700 3.262 5.092 1.00 0.00 O ATOM 120 CB LYS A 24 -2.516 2.625 6.153 1.00 0.00 C ATOM 121 CG LYS A 24 -3.510 3.392 5.280 1.00 0.00 C ATOM 122 CD LYS A 24 -4.930 2.914 5.589 1.00 0.00 C ATOM 123 CE LYS A 24 -5.078 1.452 5.165 1.00 0.00 C ATOM 124 NZ LYS A 24 -5.363 0.712 6.426 1.00 0.00 N ATOM 0 H LYS A 24 -2.777 4.794 7.225 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.633 3.022 7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.219 1.703 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.990 2.341 7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.426 4.462 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.282 3.234 4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.137 3.018 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.656 3.532 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.887 1.330 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.169 1.085 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.477 -0.300 6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.573 0.841 7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.238 1.078 6.853 1.00 0.00 H new ATOM 138 N LEU A 25 -0.987 4.323 4.160 1.00 0.00 N ATOM 139 CA LEU A 25 -0.196 4.550 2.921 1.00 0.00 C ATOM 140 C LEU A 25 0.988 5.450 3.250 1.00 0.00 C ATOM 141 O LEU A 25 2.121 5.131 2.960 1.00 0.00 O ATOM 142 CB LEU A 25 -1.147 5.239 1.935 1.00 0.00 C ATOM 143 CG LEU A 25 -2.259 4.279 1.485 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.757 4.704 0.107 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.730 2.846 1.389 1.00 0.00 C ATOM 0 H LEU A 25 -1.935 4.699 4.151 1.00 0.00 H new ATOM 0 HA LEU A 25 0.195 3.625 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.588 6.119 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.588 5.587 1.067 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.066 4.315 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.547 4.027 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.148 5.720 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.932 4.669 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.533 2.182 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.916 2.806 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.363 2.527 2.365 1.00 0.00 H new ATOM 157 N ASN A 26 0.743 6.564 3.883 1.00 0.00 N ATOM 158 CA ASN A 26 1.875 7.455 4.251 1.00 0.00 C ATOM 159 C ASN A 26 2.944 6.606 4.934 1.00 0.00 C ATOM 160 O ASN A 26 3.942 6.262 4.340 1.00 0.00 O ATOM 161 CB ASN A 26 1.293 8.477 5.226 1.00 0.00 C ATOM 162 CG ASN A 26 0.757 9.676 4.447 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.456 10.249 3.636 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.465 10.082 4.660 1.00 0.00 N ATOM 0 H ASN A 26 -0.183 6.892 4.158 1.00 0.00 H new ATOM 0 HA ASN A 26 2.327 7.953 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.493 8.023 5.811 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.059 8.801 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.834 10.881 4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.051 9.600 5.341 1.00 0.00 H new ATOM 171 N GLN A 27 2.718 6.254 6.175 1.00 0.00 N ATOM 172 CA GLN A 27 3.687 5.401 6.921 1.00 0.00 C ATOM 173 C GLN A 27 4.373 4.421 5.968 1.00 0.00 C ATOM 174 O GLN A 27 5.562 4.216 6.044 1.00 0.00 O ATOM 175 CB GLN A 27 2.839 4.645 7.944 1.00 0.00 C ATOM 176 CG GLN A 27 2.847 5.397 9.276 1.00 0.00 C ATOM 177 CD GLN A 27 3.013 4.400 10.425 1.00 0.00 C ATOM 178 OE1 GLN A 27 3.739 3.435 10.304 1.00 0.00 O ATOM 179 NE2 GLN A 27 2.364 4.593 11.541 1.00 0.00 N ATOM 0 H GLN A 27 1.892 6.526 6.708 1.00 0.00 H new ATOM 0 HA GLN A 27 4.474 5.988 7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.817 4.543 7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.231 3.637 8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.660 6.123 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.918 5.955 9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.754 5.404 11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.467 3.933 12.312 1.00 0.00 H new ATOM 188 N LEU A 28 3.643 3.821 5.059 1.00 0.00 N ATOM 189 CA LEU A 28 4.300 2.874 4.106 1.00 0.00 C ATOM 190 C LEU A 28 5.335 3.628 3.269 1.00 0.00 C ATOM 191 O LEU A 28 6.525 3.499 3.467 1.00 0.00 O ATOM 192 CB LEU A 28 3.182 2.335 3.204 1.00 0.00 C ATOM 193 CG LEU A 28 3.097 0.816 3.355 1.00 0.00 C ATOM 194 CD1 LEU A 28 1.926 0.459 4.270 1.00 0.00 C ATOM 195 CD2 LEU A 28 2.879 0.181 1.980 1.00 0.00 C ATOM 0 H LEU A 28 2.638 3.943 4.937 1.00 0.00 H new ATOM 0 HA LEU A 28 4.813 2.065 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.230 2.792 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.379 2.598 2.165 1.00 0.00 H new ATOM 0 HG LEU A 28 4.024 0.441 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.865 -0.624 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.078 0.913 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.998 0.833 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.818 -0.902 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.951 0.557 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.712 0.436 1.325 1.00 0.00 H new ATOM 207 N TRP A 29 4.879 4.420 2.342 1.00 0.00 N ATOM 208 CA TRP A 29 5.806 5.207 1.481 1.00 0.00 C ATOM 209 C TRP A 29 6.943 5.804 2.322 1.00 0.00 C ATOM 210 O TRP A 29 8.114 5.519 2.111 1.00 0.00 O ATOM 211 CB TRP A 29 4.897 6.298 0.915 1.00 0.00 C ATOM 212 CG TRP A 29 5.687 7.309 0.159 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.651 8.640 0.384 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.604 7.101 -0.947 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.497 9.266 -0.512 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.109 8.358 -1.354 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.044 5.955 -1.627 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.020 8.472 -2.403 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.960 6.065 -2.682 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.446 7.320 -3.069 1.00 0.00 C ATOM 0 H TRP A 29 3.889 4.558 2.140 1.00 0.00 H new ATOM 0 HA TRP A 29 6.295 4.617 0.705 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.150 5.850 0.260 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.358 6.785 1.727 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.059 9.134 1.140 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.650 10.274 -0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.675 4.983 -1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.393 9.442 -2.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.293 5.177 -3.199 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.151 7.398 -3.883 1.00 0.00 H new ATOM 231 N GLU A 30 6.609 6.628 3.275 1.00 0.00 N ATOM 232 CA GLU A 30 7.659 7.238 4.130 1.00 0.00 C ATOM 233 C GLU A 30 8.615 6.153 4.632 1.00 0.00 C ATOM 234 O GLU A 30 9.813 6.346 4.675 1.00 0.00 O ATOM 235 CB GLU A 30 6.904 7.879 5.295 1.00 0.00 C ATOM 236 CG GLU A 30 6.535 9.322 4.939 1.00 0.00 C ATOM 237 CD GLU A 30 7.499 10.283 5.638 1.00 0.00 C ATOM 238 OE1 GLU A 30 7.694 10.130 6.832 1.00 0.00 O ATOM 239 OE2 GLU A 30 8.025 11.155 4.966 1.00 0.00 O ATOM 0 H GLU A 30 5.653 6.904 3.497 1.00 0.00 H new ATOM 0 HA GLU A 30 8.261 7.970 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.003 7.307 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.520 7.862 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.582 9.465 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.510 9.532 5.244 1.00 0.00 H new ATOM 246 N LYS A 31 8.103 5.005 4.994 1.00 0.00 N ATOM 247 CA LYS A 31 9.010 3.921 5.465 1.00 0.00 C ATOM 248 C LYS A 31 9.986 3.603 4.342 1.00 0.00 C ATOM 249 O LYS A 31 11.181 3.547 4.538 1.00 0.00 O ATOM 250 CB LYS A 31 8.111 2.722 5.759 1.00 0.00 C ATOM 251 CG LYS A 31 8.847 1.742 6.673 1.00 0.00 C ATOM 252 CD LYS A 31 7.827 0.852 7.383 1.00 0.00 C ATOM 253 CE LYS A 31 7.647 -0.445 6.594 1.00 0.00 C ATOM 254 NZ LYS A 31 6.315 -0.317 5.942 1.00 0.00 N ATOM 0 H LYS A 31 7.109 4.775 4.984 1.00 0.00 H new ATOM 0 HA LYS A 31 9.582 4.195 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.188 3.054 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.831 2.228 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.537 1.131 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.443 2.287 7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.164 0.631 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.873 1.372 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.438 -0.570 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.683 -1.315 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.090 -1.198 5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.590 -0.138 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.333 0.474 5.267 1.00 0.00 H new ATOM 268 N ALA A 32 9.478 3.423 3.152 1.00 0.00 N ATOM 269 CA ALA A 32 10.365 3.144 2.000 1.00 0.00 C ATOM 270 C ALA A 32 11.496 4.164 2.001 1.00 0.00 C ATOM 271 O ALA A 32 12.655 3.830 1.856 1.00 0.00 O ATOM 272 CB ALA A 32 9.482 3.329 0.767 1.00 0.00 C ATOM 0 H ALA A 32 8.482 3.459 2.934 1.00 0.00 H new ATOM 0 HA ALA A 32 10.807 2.148 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.068 3.139 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.647 2.630 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.100 4.350 0.743 1.00 0.00 H new ATOM 278 N GLN A 33 11.163 5.415 2.181 1.00 0.00 N ATOM 279 CA GLN A 33 12.224 6.462 2.212 1.00 0.00 C ATOM 280 C GLN A 33 13.201 6.157 3.345 1.00 0.00 C ATOM 281 O GLN A 33 14.398 6.319 3.212 1.00 0.00 O ATOM 282 CB GLN A 33 11.486 7.773 2.472 1.00 0.00 C ATOM 283 CG GLN A 33 10.619 8.109 1.261 1.00 0.00 C ATOM 284 CD GLN A 33 9.546 9.119 1.655 1.00 0.00 C ATOM 285 OE1 GLN A 33 9.844 10.170 2.187 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.298 8.839 1.410 1.00 0.00 N ATOM 0 H GLN A 33 10.209 5.755 2.307 1.00 0.00 H new ATOM 0 HA GLN A 33 12.800 6.507 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.867 7.685 3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.200 8.576 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.238 8.516 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.153 7.203 0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.052 7.956 0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.567 9.503 1.665 1.00 0.00 H new ATOM 295 N ARG A 34 12.694 5.706 4.459 1.00 0.00 N ATOM 296 CA ARG A 34 13.585 5.376 5.604 1.00 0.00 C ATOM 297 C ARG A 34 14.428 4.141 5.271 1.00 0.00 C ATOM 298 O ARG A 34 15.490 3.936 5.823 1.00 0.00 O ATOM 299 CB ARG A 34 12.639 5.089 6.769 1.00 0.00 C ATOM 300 CG ARG A 34 12.815 6.165 7.842 1.00 0.00 C ATOM 301 CD ARG A 34 11.550 7.023 7.916 1.00 0.00 C ATOM 302 NE ARG A 34 12.035 8.432 7.867 1.00 0.00 N ATOM 303 CZ ARG A 34 12.123 9.053 6.721 1.00 0.00 C ATOM 304 NH1 ARG A 34 11.052 9.254 6.003 1.00 0.00 N ATOM 305 NH2 ARG A 34 13.282 9.472 6.294 1.00 0.00 N ATOM 0 H ARG A 34 11.699 5.552 4.625 1.00 0.00 H new ATOM 0 HA ARG A 34 14.281 6.181 5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.607 5.074 6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.848 4.104 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.010 5.701 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.678 6.789 7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.878 6.808 7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.995 6.829 8.833 1.00 0.00 H new ATOM 0 HE ARG A 34 12.298 8.911 8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.146 8.926 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.121 9.739 5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.119 9.315 6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.351 9.957 5.399 1.00 0.00 H new ATOM 319 N LEU A 35 13.971 3.325 4.358 1.00 0.00 N ATOM 320 CA LEU A 35 14.758 2.118 3.978 1.00 0.00 C ATOM 321 C LEU A 35 15.908 2.529 3.060 1.00 0.00 C ATOM 322 O LEU A 35 16.683 1.710 2.610 1.00 0.00 O ATOM 323 CB LEU A 35 13.773 1.214 3.233 1.00 0.00 C ATOM 324 CG LEU A 35 13.036 0.337 4.242 1.00 0.00 C ATOM 325 CD1 LEU A 35 11.762 1.050 4.694 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.672 -0.998 3.589 1.00 0.00 C ATOM 0 H LEU A 35 13.088 3.443 3.861 1.00 0.00 H new ATOM 0 HA LEU A 35 15.192 1.612 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.061 1.818 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.305 0.592 2.513 1.00 0.00 H new ATOM 0 HG LEU A 35 13.677 0.154 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.233 0.427 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.023 2.001 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.121 1.231 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.146 -1.624 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.029 -0.818 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.581 -1.504 3.264 1.00 0.00 H new ATOM 338 N HIS A 36 16.013 3.800 2.778 1.00 0.00 N ATOM 339 CA HIS A 36 17.099 4.296 1.888 1.00 0.00 C ATOM 340 C HIS A 36 16.886 3.792 0.460 1.00 0.00 C ATOM 341 O HIS A 36 17.768 3.876 -0.373 1.00 0.00 O ATOM 342 CB HIS A 36 18.400 3.748 2.480 1.00 0.00 C ATOM 343 CG HIS A 36 18.408 3.998 3.962 1.00 0.00 C ATOM 344 ND1 HIS A 36 19.025 5.108 4.520 1.00 0.00 N ATOM 345 CD2 HIS A 36 17.864 3.304 5.014 1.00 0.00 C ATOM 346 CE1 HIS A 36 18.836 5.050 5.853 1.00 0.00 C ATOM 347 NE2 HIS A 36 18.135 3.970 6.206 1.00 0.00 N ATOM 0 H HIS A 36 15.385 4.522 3.131 1.00 0.00 H new ATOM 0 HA HIS A 36 17.119 5.384 1.834 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.485 2.680 2.278 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.259 4.230 2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.310 2.381 4.930 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.206 5.787 6.550 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.857 3.692 7.147 1.00 0.00 H new ATOM 355 N LEU A 37 15.718 3.286 0.159 1.00 0.00 N ATOM 356 CA LEU A 37 15.470 2.807 -1.226 1.00 0.00 C ATOM 357 C LEU A 37 15.903 3.888 -2.214 1.00 0.00 C ATOM 358 O LEU A 37 15.669 5.058 -1.985 1.00 0.00 O ATOM 359 CB LEU A 37 13.951 2.628 -1.338 1.00 0.00 C ATOM 360 CG LEU A 37 13.481 1.376 -0.599 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.955 1.335 -0.633 1.00 0.00 C ATOM 362 CD2 LEU A 37 14.016 0.123 -1.292 1.00 0.00 C ATOM 0 H LEU A 37 14.936 3.186 0.806 1.00 0.00 H new ATOM 0 HA LEU A 37 16.014 1.887 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.449 3.504 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.668 2.560 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 37 13.847 1.405 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.603 0.446 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.556 2.225 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.615 1.305 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.675 -0.763 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.650 0.090 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.106 0.147 -1.296 1.00 0.00 H new ATOM 374 N PRO A 38 16.472 3.470 -3.304 1.00 0.00 N ATOM 375 CA PRO A 38 16.872 4.432 -4.351 1.00 0.00 C ATOM 376 C PRO A 38 15.612 5.124 -4.860 1.00 0.00 C ATOM 377 O PRO A 38 14.516 4.678 -4.584 1.00 0.00 O ATOM 378 CB PRO A 38 17.515 3.545 -5.421 1.00 0.00 C ATOM 379 CG PRO A 38 16.940 2.191 -5.171 1.00 0.00 C ATOM 380 CD PRO A 38 16.784 2.094 -3.679 1.00 0.00 C ATOM 0 HA PRO A 38 17.555 5.216 -4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.279 3.898 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.601 3.539 -5.332 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.981 2.072 -5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.598 1.409 -5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.986 1.406 -3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.695 1.739 -3.198 1.00 0.00 H new ATOM 388 N PRO A 39 15.790 6.188 -5.578 1.00 0.00 N ATOM 389 CA PRO A 39 14.623 6.928 -6.105 1.00 0.00 C ATOM 390 C PRO A 39 13.851 6.054 -7.095 1.00 0.00 C ATOM 391 O PRO A 39 12.682 6.269 -7.340 1.00 0.00 O ATOM 392 CB PRO A 39 15.247 8.149 -6.780 1.00 0.00 C ATOM 393 CG PRO A 39 16.648 7.732 -7.089 1.00 0.00 C ATOM 394 CD PRO A 39 17.059 6.800 -5.979 1.00 0.00 C ATOM 0 HA PRO A 39 13.900 7.213 -5.341 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.705 8.422 -7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.228 9.019 -6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.702 7.234 -8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.310 8.596 -7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.776 6.054 -6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.527 7.336 -5.154 1.00 0.00 H new ATOM 402 N VAL A 40 14.488 5.059 -7.654 1.00 0.00 N ATOM 403 CA VAL A 40 13.771 4.175 -8.616 1.00 0.00 C ATOM 404 C VAL A 40 12.762 3.288 -7.880 1.00 0.00 C ATOM 405 O VAL A 40 11.607 3.219 -8.256 1.00 0.00 O ATOM 406 CB VAL A 40 14.854 3.338 -9.301 1.00 0.00 C ATOM 407 CG1 VAL A 40 15.337 2.222 -8.375 1.00 0.00 C ATOM 408 CG2 VAL A 40 14.277 2.725 -10.576 1.00 0.00 C ATOM 0 H VAL A 40 15.466 4.822 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 40 13.200 4.749 -9.346 1.00 0.00 H new ATOM 0 HB VAL A 40 15.700 3.981 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.107 1.638 -8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.750 2.657 -7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.499 1.574 -8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.042 2.127 -11.071 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.428 2.090 -10.323 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.949 3.520 -11.246 1.00 0.00 H new ATOM 418 N ARG A 41 13.165 2.618 -6.832 1.00 0.00 N ATOM 419 CA ARG A 41 12.192 1.769 -6.103 1.00 0.00 C ATOM 420 C ARG A 41 11.174 2.656 -5.399 1.00 0.00 C ATOM 421 O ARG A 41 10.055 2.259 -5.153 1.00 0.00 O ATOM 422 CB ARG A 41 13.021 0.986 -5.095 1.00 0.00 C ATOM 423 CG ARG A 41 13.040 -0.480 -5.511 1.00 0.00 C ATOM 424 CD ARG A 41 13.610 -1.320 -4.377 1.00 0.00 C ATOM 425 NE ARG A 41 14.874 -0.644 -4.003 1.00 0.00 N ATOM 426 CZ ARG A 41 16.014 -1.115 -4.417 1.00 0.00 C ATOM 427 NH1 ARG A 41 16.383 -0.936 -5.654 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.785 -1.768 -3.592 1.00 0.00 N ATOM 0 H ARG A 41 14.114 2.624 -6.457 1.00 0.00 H new ATOM 0 HA ARG A 41 11.637 1.102 -6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.036 1.380 -5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.598 1.090 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.031 -0.814 -5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.643 -0.606 -6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.921 -1.365 -3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.790 -2.346 -4.697 1.00 0.00 H new ATOM 0 HE ARG A 41 14.851 0.192 -3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.778 -0.426 -6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.277 -1.305 -5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.494 -1.908 -2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.679 -2.138 -3.914 1.00 0.00 H new ATOM 442 N LEU A 42 11.551 3.866 -5.092 1.00 0.00 N ATOM 443 CA LEU A 42 10.597 4.789 -4.428 1.00 0.00 C ATOM 444 C LEU A 42 9.628 5.330 -5.478 1.00 0.00 C ATOM 445 O LEU A 42 8.495 5.647 -5.191 1.00 0.00 O ATOM 446 CB LEU A 42 11.457 5.907 -3.851 1.00 0.00 C ATOM 447 CG LEU A 42 12.307 5.343 -2.718 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.439 6.318 -2.403 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.432 5.150 -1.477 1.00 0.00 C ATOM 0 H LEU A 42 12.477 4.253 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 42 10.006 4.308 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.096 6.330 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.826 6.716 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 42 12.729 4.383 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.049 5.918 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.058 6.456 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.019 7.278 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.037 4.747 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.012 6.109 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.623 4.456 -1.706 1.00 0.00 H new ATOM 461 N ALA A 43 10.067 5.417 -6.704 1.00 0.00 N ATOM 462 CA ALA A 43 9.160 5.908 -7.781 1.00 0.00 C ATOM 463 C ALA A 43 8.138 4.817 -8.094 1.00 0.00 C ATOM 464 O ALA A 43 6.940 5.010 -7.985 1.00 0.00 O ATOM 465 CB ALA A 43 10.058 6.159 -8.992 1.00 0.00 C ATOM 0 H ALA A 43 11.010 5.171 -7.006 1.00 0.00 H new ATOM 0 HA ALA A 43 8.619 6.811 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.454 6.523 -9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.812 6.904 -8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.549 5.229 -9.280 1.00 0.00 H new ATOM 471 N GLU A 44 8.611 3.653 -8.458 1.00 0.00 N ATOM 472 CA GLU A 44 7.672 2.539 -8.752 1.00 0.00 C ATOM 473 C GLU A 44 6.838 2.260 -7.503 1.00 0.00 C ATOM 474 O GLU A 44 5.650 2.006 -7.575 1.00 0.00 O ATOM 475 CB GLU A 44 8.567 1.348 -9.094 1.00 0.00 C ATOM 476 CG GLU A 44 9.463 1.710 -10.283 1.00 0.00 C ATOM 477 CD GLU A 44 9.753 0.453 -11.105 1.00 0.00 C ATOM 478 OE1 GLU A 44 9.835 -0.611 -10.513 1.00 0.00 O ATOM 479 OE2 GLU A 44 9.888 0.574 -12.312 1.00 0.00 O ATOM 0 H GLU A 44 9.601 3.430 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 44 6.981 2.757 -9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.178 1.079 -8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.957 0.478 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.974 2.460 -10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.396 2.149 -9.929 1.00 0.00 H new ATOM 486 N LEU A 45 7.451 2.338 -6.353 1.00 0.00 N ATOM 487 CA LEU A 45 6.698 2.112 -5.091 1.00 0.00 C ATOM 488 C LEU A 45 5.597 3.160 -4.987 1.00 0.00 C ATOM 489 O LEU A 45 4.478 2.864 -4.632 1.00 0.00 O ATOM 490 CB LEU A 45 7.728 2.293 -3.972 1.00 0.00 C ATOM 491 CG LEU A 45 7.021 2.606 -2.647 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.293 1.357 -2.138 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.059 3.039 -1.613 1.00 0.00 C ATOM 0 H LEU A 45 8.442 2.549 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 45 6.230 1.129 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.326 1.388 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.414 3.101 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 45 6.298 3.406 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.793 1.586 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.554 1.041 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.014 0.555 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.561 3.263 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.779 2.235 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.578 3.929 -1.969 1.00 0.00 H new ATOM 505 N HIS A 46 5.905 4.386 -5.314 1.00 0.00 N ATOM 506 CA HIS A 46 4.867 5.446 -5.248 1.00 0.00 C ATOM 507 C HIS A 46 3.735 5.085 -6.200 1.00 0.00 C ATOM 508 O HIS A 46 2.581 5.313 -5.919 1.00 0.00 O ATOM 509 CB HIS A 46 5.556 6.735 -5.694 1.00 0.00 C ATOM 510 CG HIS A 46 4.808 7.909 -5.128 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.729 8.482 -5.783 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.960 8.620 -3.964 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.277 9.490 -5.015 1.00 0.00 C ATOM 514 NE2 HIS A 46 3.992 9.618 -3.895 1.00 0.00 N ATOM 0 H HIS A 46 6.827 4.695 -5.622 1.00 0.00 H new ATOM 0 HA HIS A 46 4.445 5.558 -4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.591 6.747 -5.352 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.580 6.792 -6.782 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.716 8.434 -3.215 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.438 10.119 -5.273 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.858 10.300 -3.149 1.00 0.00 H new ATOM 522 N ALA A 47 4.059 4.505 -7.322 1.00 0.00 N ATOM 523 CA ALA A 47 2.991 4.110 -8.280 1.00 0.00 C ATOM 524 C ALA A 47 2.097 3.044 -7.635 1.00 0.00 C ATOM 525 O ALA A 47 0.882 3.099 -7.710 1.00 0.00 O ATOM 526 CB ALA A 47 3.735 3.530 -9.484 1.00 0.00 C ATOM 0 H ALA A 47 5.012 4.289 -7.615 1.00 0.00 H new ATOM 0 HA ALA A 47 2.350 4.944 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.015 3.214 -10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.393 4.290 -9.906 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.328 2.672 -9.167 1.00 0.00 H new ATOM 532 N ASP A 48 2.697 2.075 -6.996 1.00 0.00 N ATOM 533 CA ASP A 48 1.900 0.996 -6.341 1.00 0.00 C ATOM 534 C ASP A 48 1.105 1.547 -5.153 1.00 0.00 C ATOM 535 O ASP A 48 0.042 1.054 -4.827 1.00 0.00 O ATOM 536 CB ASP A 48 2.938 -0.021 -5.866 1.00 0.00 C ATOM 537 CG ASP A 48 3.889 -0.355 -7.017 1.00 0.00 C ATOM 538 OD1 ASP A 48 3.635 0.102 -8.119 1.00 0.00 O ATOM 539 OD2 ASP A 48 4.853 -1.063 -6.776 1.00 0.00 O ATOM 0 H ASP A 48 3.708 1.984 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 48 1.170 0.557 -7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.498 0.382 -5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.442 -0.926 -5.516 1.00 0.00 H new ATOM 544 N LEU A 49 1.600 2.568 -4.501 1.00 0.00 N ATOM 545 CA LEU A 49 0.857 3.138 -3.346 1.00 0.00 C ATOM 546 C LEU A 49 -0.283 3.998 -3.862 1.00 0.00 C ATOM 547 O LEU A 49 -1.339 4.070 -3.268 1.00 0.00 O ATOM 548 CB LEU A 49 1.873 3.992 -2.593 1.00 0.00 C ATOM 549 CG LEU A 49 2.990 3.099 -2.064 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.065 3.963 -1.409 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.419 2.128 -1.032 1.00 0.00 C ATOM 0 H LEU A 49 2.484 3.028 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 49 0.428 2.370 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.284 4.755 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.387 4.513 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 49 3.428 2.537 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.864 3.325 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.472 4.657 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.627 4.525 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.217 1.489 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.981 2.690 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.651 1.511 -1.499 1.00 0.00 H new ATOM 563 N LYS A 50 -0.083 4.637 -4.979 1.00 0.00 N ATOM 564 CA LYS A 50 -1.164 5.472 -5.545 1.00 0.00 C ATOM 565 C LYS A 50 -2.285 4.546 -6.003 1.00 0.00 C ATOM 566 O LYS A 50 -3.444 4.786 -5.745 1.00 0.00 O ATOM 567 CB LYS A 50 -0.544 6.211 -6.730 1.00 0.00 C ATOM 568 CG LYS A 50 0.371 7.331 -6.222 1.00 0.00 C ATOM 569 CD LYS A 50 -0.364 8.172 -5.177 1.00 0.00 C ATOM 570 CE LYS A 50 -1.742 8.562 -5.713 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.472 9.269 -6.995 1.00 0.00 N ATOM 0 H LYS A 50 0.782 4.614 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.578 6.183 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.025 5.515 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.329 6.628 -7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.275 6.904 -5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.684 7.962 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.469 7.609 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.213 9.066 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.367 7.683 -5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.271 9.207 -5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.156 10.043 -7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.508 9.658 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.563 8.600 -7.786 1.00 0.00 H new ATOM 585 N ILE A 51 -1.941 3.466 -6.653 1.00 0.00 N ATOM 586 CA ILE A 51 -2.990 2.506 -7.089 1.00 0.00 C ATOM 587 C ILE A 51 -3.677 1.937 -5.847 1.00 0.00 C ATOM 588 O ILE A 51 -4.888 1.848 -5.778 1.00 0.00 O ATOM 589 CB ILE A 51 -2.244 1.406 -7.839 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.657 1.977 -9.132 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.217 0.274 -8.174 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.724 2.793 -9.866 1.00 0.00 C ATOM 0 H ILE A 51 -0.985 3.210 -6.898 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.753 2.964 -7.718 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.437 1.021 -7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.796 2.606 -8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.301 1.168 -9.770 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.688 -0.514 -8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.635 -0.131 -7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.023 0.660 -8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.303 3.198 -10.786 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.571 2.151 -10.107 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.058 3.612 -9.229 1.00 0.00 H new ATOM 604 N GLN A 52 -2.905 1.573 -4.854 1.00 0.00 N ATOM 605 CA GLN A 52 -3.508 1.034 -3.607 1.00 0.00 C ATOM 606 C GLN A 52 -4.285 2.149 -2.912 1.00 0.00 C ATOM 607 O GLN A 52 -5.179 1.904 -2.129 1.00 0.00 O ATOM 608 CB GLN A 52 -2.316 0.590 -2.750 1.00 0.00 C ATOM 609 CG GLN A 52 -2.822 -0.053 -1.459 1.00 0.00 C ATOM 610 CD GLN A 52 -3.736 -1.230 -1.797 1.00 0.00 C ATOM 611 OE1 GLN A 52 -3.687 -1.761 -2.889 1.00 0.00 O ATOM 612 NE2 GLN A 52 -4.572 -1.663 -0.898 1.00 0.00 N ATOM 0 H GLN A 52 -1.886 1.627 -4.857 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.199 0.210 -3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.701 -0.119 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.683 1.447 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.980 -0.394 -0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.363 0.682 -0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.612 -1.216 0.018 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.187 -2.449 -1.110 1.00 0.00 H new ATOM 621 N GLU A 53 -3.956 3.379 -3.206 1.00 0.00 N ATOM 622 CA GLU A 53 -4.682 4.512 -2.574 1.00 0.00 C ATOM 623 C GLU A 53 -6.076 4.624 -3.189 1.00 0.00 C ATOM 624 O GLU A 53 -7.071 4.560 -2.502 1.00 0.00 O ATOM 625 CB GLU A 53 -3.848 5.750 -2.894 1.00 0.00 C ATOM 626 CG GLU A 53 -4.154 6.845 -1.874 1.00 0.00 C ATOM 627 CD GLU A 53 -3.672 8.191 -2.415 1.00 0.00 C ATOM 628 OE1 GLU A 53 -4.408 8.799 -3.173 1.00 0.00 O ATOM 629 OE2 GLU A 53 -2.571 8.587 -2.068 1.00 0.00 O ATOM 0 H GLU A 53 -3.216 3.645 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.809 4.385 -1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.787 5.503 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.072 6.103 -3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.225 6.883 -1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.661 6.624 -0.927 1.00 0.00 H new ATOM 636 N ARG A 54 -6.155 4.772 -4.484 1.00 0.00 N ATOM 637 CA ARG A 54 -7.488 4.866 -5.140 1.00 0.00 C ATOM 638 C ARG A 54 -8.305 3.624 -4.793 1.00 0.00 C ATOM 639 O ARG A 54 -9.488 3.696 -4.523 1.00 0.00 O ATOM 640 CB ARG A 54 -7.195 4.912 -6.640 1.00 0.00 C ATOM 641 CG ARG A 54 -8.512 4.942 -7.418 1.00 0.00 C ATOM 642 CD ARG A 54 -8.320 5.726 -8.718 1.00 0.00 C ATOM 643 NE ARG A 54 -8.239 4.691 -9.784 1.00 0.00 N ATOM 644 CZ ARG A 54 -8.480 5.013 -11.025 1.00 0.00 C ATOM 645 NH1 ARG A 54 -7.616 5.728 -11.693 1.00 0.00 N ATOM 646 NH2 ARG A 54 -9.585 4.620 -11.598 1.00 0.00 N ATOM 0 H ARG A 54 -5.355 4.832 -5.114 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.057 5.738 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.600 5.794 -6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.607 4.042 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.839 3.926 -7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.293 5.404 -6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.151 6.409 -8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.413 6.330 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.995 3.730 -9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.753 6.035 -11.245 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.804 5.980 -12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.260 4.061 -11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.774 4.872 -12.568 1.00 0.00 H new ATOM 660 N ASP A 55 -7.672 2.483 -4.793 1.00 0.00 N ATOM 661 CA ASP A 55 -8.392 1.222 -4.460 1.00 0.00 C ATOM 662 C ASP A 55 -8.782 1.214 -2.983 1.00 0.00 C ATOM 663 O ASP A 55 -9.786 0.646 -2.595 1.00 0.00 O ATOM 664 CB ASP A 55 -7.377 0.111 -4.738 1.00 0.00 C ATOM 665 CG ASP A 55 -7.243 -0.103 -6.246 1.00 0.00 C ATOM 666 OD1 ASP A 55 -6.664 0.750 -6.897 1.00 0.00 O ATOM 667 OD2 ASP A 55 -7.723 -1.118 -6.726 1.00 0.00 O ATOM 0 H ASP A 55 -6.682 2.370 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.309 1.104 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.409 0.375 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.696 -0.814 -4.257 1.00 0.00 H new ATOM 672 N GLU A 56 -7.984 1.823 -2.151 1.00 0.00 N ATOM 673 CA GLU A 56 -8.299 1.827 -0.699 1.00 0.00 C ATOM 674 C GLU A 56 -9.368 2.864 -0.357 1.00 0.00 C ATOM 675 O GLU A 56 -10.090 2.699 0.588 1.00 0.00 O ATOM 676 CB GLU A 56 -6.985 2.152 0.005 1.00 0.00 C ATOM 677 CG GLU A 56 -6.259 0.852 0.357 1.00 0.00 C ATOM 678 CD GLU A 56 -5.539 1.019 1.697 1.00 0.00 C ATOM 679 OE1 GLU A 56 -4.693 1.892 1.787 1.00 0.00 O ATOM 680 OE2 GLU A 56 -5.847 0.271 2.608 1.00 0.00 O ATOM 0 H GLU A 56 -7.131 2.316 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.703 0.865 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.358 2.768 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.178 2.730 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.971 0.029 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.542 0.600 -0.425 1.00 0.00 H new ATOM 687 N LEU A 57 -9.507 3.917 -1.111 1.00 0.00 N ATOM 688 CA LEU A 57 -10.578 4.896 -0.772 1.00 0.00 C ATOM 689 C LEU A 57 -11.868 4.389 -1.389 1.00 0.00 C ATOM 690 O LEU A 57 -12.899 4.302 -0.748 1.00 0.00 O ATOM 691 CB LEU A 57 -10.183 6.235 -1.401 1.00 0.00 C ATOM 692 CG LEU A 57 -8.683 6.483 -1.260 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.150 6.956 -2.608 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.442 7.566 -0.205 1.00 0.00 C ATOM 0 H LEU A 57 -8.941 4.141 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.708 5.016 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.459 6.241 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.736 7.043 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.175 5.569 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.078 7.140 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.334 6.190 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.656 7.877 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.371 7.744 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.935 8.488 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.847 7.238 0.752 1.00 0.00 H new ATOM 706 N ALA A 58 -11.800 4.019 -2.635 1.00 0.00 N ATOM 707 CA ALA A 58 -13.000 3.477 -3.309 1.00 0.00 C ATOM 708 C ALA A 58 -13.502 2.286 -2.503 1.00 0.00 C ATOM 709 O ALA A 58 -14.674 2.171 -2.175 1.00 0.00 O ATOM 710 CB ALA A 58 -12.515 3.036 -4.690 1.00 0.00 C ATOM 0 H ALA A 58 -10.962 4.070 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.815 4.196 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.351 2.621 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.108 3.895 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.740 2.278 -4.578 1.00 0.00 H new ATOM 716 N TRP A 59 -12.621 1.402 -2.144 1.00 0.00 N ATOM 717 CA TRP A 59 -13.074 0.259 -1.338 1.00 0.00 C ATOM 718 C TRP A 59 -13.389 0.744 0.074 1.00 0.00 C ATOM 719 O TRP A 59 -14.306 0.280 0.704 1.00 0.00 O ATOM 720 CB TRP A 59 -11.926 -0.736 -1.312 1.00 0.00 C ATOM 721 CG TRP A 59 -12.270 -1.764 -0.297 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.960 -2.895 -0.549 1.00 0.00 C ATOM 723 CD2 TRP A 59 -12.001 -1.747 1.131 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.123 -3.590 0.633 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.538 -2.927 1.699 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.338 -0.838 1.980 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.423 -3.194 3.062 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.223 -1.104 3.346 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.761 -2.280 3.886 1.00 0.00 C ATOM 0 H TRP A 59 -11.627 1.425 -2.371 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.971 -0.202 -1.751 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.788 -1.192 -2.292 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.990 -0.239 -1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.325 -3.206 -1.517 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.613 -4.481 0.711 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.917 0.069 1.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.842 -4.099 3.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.717 -0.400 3.990 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.664 -2.481 4.943 1.00 0.00 H new ATOM 740 N LYS A 60 -12.658 1.691 0.582 1.00 0.00 N ATOM 741 CA LYS A 60 -12.993 2.175 1.945 1.00 0.00 C ATOM 742 C LYS A 60 -14.479 2.505 1.934 1.00 0.00 C ATOM 743 O LYS A 60 -15.191 2.302 2.901 1.00 0.00 O ATOM 744 CB LYS A 60 -12.131 3.409 2.188 1.00 0.00 C ATOM 745 CG LYS A 60 -10.869 2.996 2.948 1.00 0.00 C ATOM 746 CD LYS A 60 -11.216 2.709 4.401 1.00 0.00 C ATOM 747 CE LYS A 60 -10.472 3.701 5.294 1.00 0.00 C ATOM 748 NZ LYS A 60 -10.076 2.919 6.499 1.00 0.00 N ATOM 0 H LYS A 60 -11.864 2.141 0.128 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.801 1.451 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.863 3.874 1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.689 4.151 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.429 2.111 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.123 3.789 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.291 2.796 4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.938 1.687 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.599 4.111 4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.109 4.544 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.560 3.535 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.927 2.547 6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.464 2.128 6.214 1.00 0.00 H new ATOM 762 N LYS A 61 -14.965 2.939 0.798 1.00 0.00 N ATOM 763 CA LYS A 61 -16.416 3.199 0.675 1.00 0.00 C ATOM 764 C LYS A 61 -17.110 1.837 0.628 1.00 0.00 C ATOM 765 O LYS A 61 -18.120 1.623 1.266 1.00 0.00 O ATOM 766 CB LYS A 61 -16.592 3.959 -0.641 1.00 0.00 C ATOM 767 CG LYS A 61 -16.514 5.463 -0.373 1.00 0.00 C ATOM 768 CD LYS A 61 -17.926 6.034 -0.242 1.00 0.00 C ATOM 769 CE LYS A 61 -18.194 6.402 1.219 1.00 0.00 C ATOM 770 NZ LYS A 61 -17.560 7.738 1.404 1.00 0.00 N ATOM 0 H LYS A 61 -14.416 3.121 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.835 3.779 1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.819 3.664 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.552 3.708 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.949 5.651 0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.983 5.960 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.034 6.914 -0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.659 5.303 -0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.263 6.441 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.765 5.664 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.702 8.057 2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.541 7.669 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.994 8.421 0.751 1.00 0.00 H new ATOM 784 N LEU A 62 -16.549 0.897 -0.102 1.00 0.00 N ATOM 785 CA LEU A 62 -17.166 -0.470 -0.149 1.00 0.00 C ATOM 786 C LEU A 62 -17.512 -0.921 1.279 1.00 0.00 C ATOM 787 O LEU A 62 -18.631 -1.280 1.582 1.00 0.00 O ATOM 788 CB LEU A 62 -16.091 -1.410 -0.728 1.00 0.00 C ATOM 789 CG LEU A 62 -16.127 -1.461 -2.263 1.00 0.00 C ATOM 790 CD1 LEU A 62 -16.917 -2.690 -2.710 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.762 -0.191 -2.842 1.00 0.00 C ATOM 0 H LEU A 62 -15.703 1.015 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.075 -0.478 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.106 -1.077 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.237 -2.414 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.104 -1.525 -2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.944 -2.729 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.437 -3.590 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.934 -2.629 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.775 -0.254 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -17.783 -0.094 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -16.181 0.679 -2.536 1.00 0.00 H new ATOM 803 N LYS A 63 -16.537 -0.911 2.153 1.00 0.00 N ATOM 804 CA LYS A 63 -16.756 -1.342 3.561 1.00 0.00 C ATOM 805 C LYS A 63 -17.728 -0.403 4.284 1.00 0.00 C ATOM 806 O LYS A 63 -18.611 -0.841 4.994 1.00 0.00 O ATOM 807 CB LYS A 63 -15.364 -1.255 4.187 1.00 0.00 C ATOM 808 CG LYS A 63 -15.226 -2.289 5.304 1.00 0.00 C ATOM 809 CD LYS A 63 -14.965 -1.576 6.633 1.00 0.00 C ATOM 810 CE LYS A 63 -14.976 -2.602 7.770 1.00 0.00 C ATOM 811 NZ LYS A 63 -14.889 -1.796 9.021 1.00 0.00 N ATOM 0 H LYS A 63 -15.583 -0.617 1.943 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.195 -2.337 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.603 -1.426 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.197 -0.254 4.585 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.134 -2.888 5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.408 -2.974 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.004 -1.063 6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.727 -0.816 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.885 -3.203 7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.136 -3.292 7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.891 -2.431 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.010 -1.240 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.705 -1.153 9.077 1.00 0.00 H new ATOM 825 N LEU A 64 -17.570 0.883 4.123 1.00 0.00 N ATOM 826 CA LEU A 64 -18.490 1.832 4.819 1.00 0.00 C ATOM 827 C LEU A 64 -19.945 1.551 4.430 1.00 0.00 C ATOM 828 O LEU A 64 -20.860 1.795 5.190 1.00 0.00 O ATOM 829 CB LEU A 64 -18.066 3.218 4.337 1.00 0.00 C ATOM 830 CG LEU A 64 -16.677 3.543 4.884 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.078 4.706 4.094 1.00 0.00 C ATOM 832 CD2 LEU A 64 -16.791 3.932 6.358 1.00 0.00 C ATOM 0 H LEU A 64 -16.850 1.316 3.545 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.431 1.739 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.056 3.249 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -18.785 3.967 4.671 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.033 2.669 4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.087 4.938 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.999 4.429 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.721 5.581 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.801 4.164 6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.434 4.807 6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.219 3.103 6.921 1.00 0.00 H new ATOM 844 N ASP A 65 -20.164 1.045 3.248 1.00 0.00 N ATOM 845 CA ASP A 65 -21.560 0.758 2.803 1.00 0.00 C ATOM 846 C ASP A 65 -21.903 -0.722 3.010 1.00 0.00 C ATOM 847 O ASP A 65 -23.033 -1.135 2.834 1.00 0.00 O ATOM 848 CB ASP A 65 -21.574 1.105 1.314 1.00 0.00 C ATOM 849 CG ASP A 65 -22.264 2.455 1.110 1.00 0.00 C ATOM 850 OD1 ASP A 65 -23.432 2.558 1.449 1.00 0.00 O ATOM 851 OD2 ASP A 65 -21.612 3.362 0.620 1.00 0.00 O ATOM 0 H ASP A 65 -19.437 0.817 2.569 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.295 1.330 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.555 1.144 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.097 0.329 0.754 1.00 0.00 H new ATOM 856 N GLY A 66 -20.942 -1.522 3.377 1.00 0.00 N ATOM 857 CA GLY A 66 -21.222 -2.971 3.588 1.00 0.00 C ATOM 858 C GLY A 66 -21.221 -3.687 2.238 1.00 0.00 C ATOM 859 O GLY A 66 -22.221 -4.231 1.810 1.00 0.00 O ATOM 0 H GLY A 66 -19.976 -1.237 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.469 -3.407 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.186 -3.099 4.080 1.00 0.00 H new ATOM 863 N LEU A 67 -20.107 -3.684 1.561 1.00 0.00 N ATOM 864 CA LEU A 67 -20.035 -4.353 0.233 1.00 0.00 C ATOM 865 C LEU A 67 -19.155 -5.600 0.309 1.00 0.00 C ATOM 866 O LEU A 67 -19.546 -6.673 -0.105 1.00 0.00 O ATOM 867 CB LEU A 67 -19.402 -3.309 -0.685 1.00 0.00 C ATOM 868 CG LEU A 67 -20.288 -2.056 -0.735 1.00 0.00 C ATOM 869 CD1 LEU A 67 -19.913 -1.211 -1.954 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.760 -2.467 -0.842 1.00 0.00 C ATOM 0 H LEU A 67 -19.240 -3.245 1.872 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.012 -4.682 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.407 -3.048 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -19.279 -3.719 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.137 -1.476 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.543 -0.322 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.867 -0.912 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.061 -1.796 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.385 -1.575 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.910 -3.051 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -22.034 -3.068 0.025 1.00 0.00 H new ATOM 882 N ASP A 68 -17.968 -5.464 0.831 1.00 0.00 N ATOM 883 CA ASP A 68 -17.062 -6.640 0.932 1.00 0.00 C ATOM 884 C ASP A 68 -17.369 -7.429 2.212 1.00 0.00 C ATOM 885 O ASP A 68 -16.531 -7.572 3.079 1.00 0.00 O ATOM 886 CB ASP A 68 -15.653 -6.046 0.989 1.00 0.00 C ATOM 887 CG ASP A 68 -14.645 -7.149 1.314 1.00 0.00 C ATOM 888 OD1 ASP A 68 -14.237 -7.842 0.395 1.00 0.00 O ATOM 889 OD2 ASP A 68 -14.294 -7.282 2.475 1.00 0.00 O ATOM 0 H ASP A 68 -17.587 -4.589 1.192 1.00 0.00 H new ATOM 0 HA ASP A 68 -17.178 -7.331 0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.404 -5.581 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.608 -5.263 1.746 1.00 0.00 H new ATOM 894 N GLU A 69 -18.568 -7.935 2.338 1.00 0.00 N ATOM 895 CA GLU A 69 -18.934 -8.703 3.565 1.00 0.00 C ATOM 896 C GLU A 69 -18.248 -10.073 3.572 1.00 0.00 C ATOM 897 O GLU A 69 -18.338 -10.816 4.529 1.00 0.00 O ATOM 898 CB GLU A 69 -20.451 -8.875 3.489 1.00 0.00 C ATOM 899 CG GLU A 69 -21.132 -7.514 3.648 1.00 0.00 C ATOM 900 CD GLU A 69 -22.297 -7.639 4.632 1.00 0.00 C ATOM 901 OE1 GLU A 69 -22.037 -7.873 5.801 1.00 0.00 O ATOM 902 OE2 GLU A 69 -23.429 -7.498 4.200 1.00 0.00 O ATOM 0 H GLU A 69 -19.310 -7.849 1.644 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.620 -8.188 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.729 -9.322 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.789 -9.555 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.415 -6.776 4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.494 -7.161 2.682 1.00 0.00 H new ATOM 909 N ASP A 70 -17.564 -10.415 2.517 1.00 0.00 N ATOM 910 CA ASP A 70 -16.879 -11.741 2.478 1.00 0.00 C ATOM 911 C ASP A 70 -15.360 -11.552 2.473 1.00 0.00 C ATOM 912 O ASP A 70 -14.632 -12.296 3.100 1.00 0.00 O ATOM 913 CB ASP A 70 -17.349 -12.415 1.182 1.00 0.00 C ATOM 914 CG ASP A 70 -17.446 -11.382 0.055 1.00 0.00 C ATOM 915 OD1 ASP A 70 -16.412 -10.886 -0.358 1.00 0.00 O ATOM 916 OD2 ASP A 70 -18.554 -11.107 -0.374 1.00 0.00 O ATOM 0 H ASP A 70 -17.448 -9.839 1.683 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.120 -12.349 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.653 -13.206 0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -18.320 -12.885 1.339 1.00 0.00 H new ATOM 921 N GLY A 71 -14.876 -10.559 1.778 1.00 0.00 N ATOM 922 CA GLY A 71 -13.405 -10.323 1.748 1.00 0.00 C ATOM 923 C GLY A 71 -12.885 -10.464 0.316 1.00 0.00 C ATOM 924 O GLY A 71 -11.777 -10.910 0.091 1.00 0.00 O ATOM 0 H GLY A 71 -15.434 -9.903 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.180 -9.327 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.900 -11.036 2.400 1.00 0.00 H new ATOM 928 N GLU A 72 -13.673 -10.087 -0.655 1.00 0.00 N ATOM 929 CA GLU A 72 -13.216 -10.201 -2.070 1.00 0.00 C ATOM 930 C GLU A 72 -12.548 -8.898 -2.516 1.00 0.00 C ATOM 931 O GLU A 72 -11.369 -8.864 -2.807 1.00 0.00 O ATOM 932 CB GLU A 72 -14.486 -10.460 -2.880 1.00 0.00 C ATOM 933 CG GLU A 72 -15.105 -11.790 -2.446 1.00 0.00 C ATOM 934 CD GLU A 72 -14.855 -12.847 -3.523 1.00 0.00 C ATOM 935 OE1 GLU A 72 -13.769 -12.850 -4.081 1.00 0.00 O ATOM 936 OE2 GLU A 72 -15.753 -13.633 -3.773 1.00 0.00 O ATOM 0 H GLU A 72 -14.611 -9.706 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.482 -10.995 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.198 -9.649 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.253 -10.485 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.673 -12.112 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.176 -11.668 -2.283 1.00 0.00 H new ATOM 943 N LYS A 73 -13.288 -7.825 -2.570 1.00 0.00 N ATOM 944 CA LYS A 73 -12.687 -6.528 -2.993 1.00 0.00 C ATOM 945 C LYS A 73 -11.567 -6.138 -2.027 1.00 0.00 C ATOM 946 O LYS A 73 -10.489 -5.751 -2.431 1.00 0.00 O ATOM 947 CB LYS A 73 -13.831 -5.515 -2.926 1.00 0.00 C ATOM 948 CG LYS A 73 -14.989 -5.995 -3.803 1.00 0.00 C ATOM 949 CD LYS A 73 -15.120 -5.079 -5.023 1.00 0.00 C ATOM 950 CE LYS A 73 -16.074 -5.708 -6.041 1.00 0.00 C ATOM 951 NZ LYS A 73 -17.032 -4.622 -6.393 1.00 0.00 N ATOM 0 H LYS A 73 -14.281 -7.790 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.251 -6.577 -3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.166 -5.396 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.486 -4.538 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.815 -7.022 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.917 -5.992 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.492 -4.101 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.142 -4.920 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.536 -6.060 -6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.591 -6.569 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.719 -4.977 -7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.534 -4.311 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.512 -3.819 -6.800 1.00 0.00 H new ATOM 965 N GLU A 74 -11.815 -6.246 -0.751 1.00 0.00 N ATOM 966 CA GLU A 74 -10.766 -5.891 0.246 1.00 0.00 C ATOM 967 C GLU A 74 -9.569 -6.835 0.100 1.00 0.00 C ATOM 968 O GLU A 74 -8.452 -6.492 0.434 1.00 0.00 O ATOM 969 CB GLU A 74 -11.435 -6.072 1.609 1.00 0.00 C ATOM 970 CG GLU A 74 -10.369 -6.098 2.706 1.00 0.00 C ATOM 971 CD GLU A 74 -9.759 -4.703 2.857 1.00 0.00 C ATOM 972 OE1 GLU A 74 -9.960 -3.891 1.970 1.00 0.00 O ATOM 973 OE2 GLU A 74 -9.102 -4.471 3.860 1.00 0.00 O ATOM 0 H GLU A 74 -12.699 -6.565 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.391 -4.876 0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.138 -5.259 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.008 -6.999 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.811 -6.418 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.593 -6.821 2.456 1.00 0.00 H new ATOM 980 N ALA A 75 -9.793 -8.020 -0.403 1.00 0.00 N ATOM 981 CA ALA A 75 -8.664 -8.980 -0.575 1.00 0.00 C ATOM 982 C ALA A 75 -7.677 -8.441 -1.612 1.00 0.00 C ATOM 983 O ALA A 75 -6.477 -8.524 -1.443 1.00 0.00 O ATOM 984 CB ALA A 75 -9.314 -10.270 -1.074 1.00 0.00 C ATOM 0 H ALA A 75 -10.706 -8.364 -0.701 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.107 -9.138 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.547 -11.029 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.034 -10.624 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.826 -10.078 -2.017 1.00 0.00 H new ATOM 990 N ARG A 76 -8.174 -7.880 -2.679 1.00 0.00 N ATOM 991 CA ARG A 76 -7.259 -7.327 -3.715 1.00 0.00 C ATOM 992 C ARG A 76 -6.352 -6.276 -3.079 1.00 0.00 C ATOM 993 O ARG A 76 -5.181 -6.174 -3.393 1.00 0.00 O ATOM 994 CB ARG A 76 -8.175 -6.689 -4.758 1.00 0.00 C ATOM 995 CG ARG A 76 -7.344 -6.251 -5.965 1.00 0.00 C ATOM 996 CD ARG A 76 -8.062 -5.114 -6.693 1.00 0.00 C ATOM 997 NE ARG A 76 -8.922 -5.788 -7.704 1.00 0.00 N ATOM 998 CZ ARG A 76 -8.448 -6.063 -8.888 1.00 0.00 C ATOM 999 NH1 ARG A 76 -8.328 -5.118 -9.780 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -8.091 -7.285 -9.179 1.00 0.00 N ATOM 0 H ARG A 76 -9.170 -7.781 -2.878 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.617 -8.087 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.941 -7.400 -5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.692 -5.831 -4.328 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.357 -5.923 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.194 -7.093 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.658 -4.517 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.351 -4.438 -7.167 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.884 -6.035 -7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.605 -4.163 -9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.957 -5.334 -10.705 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.183 -8.023 -8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.720 -7.501 -10.104 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.883 -5.501 -2.175 1.00 0.00 N ATOM 1015 CA LEU A 77 -6.053 -4.463 -1.506 1.00 0.00 C ATOM 1016 C LEU A 77 -4.923 -5.132 -0.725 1.00 0.00 C ATOM 1017 O LEU A 77 -3.776 -4.739 -0.805 1.00 0.00 O ATOM 1018 CB LEU A 77 -7.002 -3.733 -0.549 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.935 -2.825 -1.346 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.127 -2.413 -0.477 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.187 -1.571 -1.793 1.00 0.00 C ATOM 0 H LEU A 77 -7.856 -5.542 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.598 -3.777 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.583 -4.455 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.430 -3.144 0.168 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.290 -3.369 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.789 -1.765 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.673 -3.303 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.769 -1.878 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.860 -0.929 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.824 -1.032 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.342 -1.855 -2.420 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.245 -6.142 0.032 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.201 -6.851 0.827 1.00 0.00 C ATOM 1035 C ILE A 78 -3.119 -7.415 -0.098 1.00 0.00 C ATOM 1036 O ILE A 78 -1.941 -7.318 0.180 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.947 -7.982 1.533 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.808 -7.402 2.659 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -3.937 -8.968 2.122 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.596 -8.527 3.332 1.00 0.00 C ATOM 0 H ILE A 78 -6.191 -6.510 0.136 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.698 -6.189 1.532 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.586 -8.498 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.177 -6.898 3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.492 -6.654 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.468 -9.775 2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.323 -9.381 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.299 -8.451 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.208 -8.113 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.239 -9.011 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.903 -9.259 3.746 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.509 -8.007 -1.196 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.498 -8.576 -2.135 1.00 0.00 C ATOM 1054 C ARG A 79 -1.628 -7.457 -2.710 1.00 0.00 C ATOM 1055 O ARG A 79 -0.437 -7.612 -2.863 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.313 -9.252 -3.238 1.00 0.00 C ATOM 1057 CG ARG A 79 -4.055 -10.459 -2.661 1.00 0.00 C ATOM 1058 CD ARG A 79 -4.129 -11.566 -3.715 1.00 0.00 C ATOM 1059 NE ARG A 79 -5.538 -11.544 -4.198 1.00 0.00 N ATOM 1060 CZ ARG A 79 -6.444 -12.269 -3.599 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -6.156 -13.478 -3.203 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -7.639 -11.786 -3.398 1.00 0.00 N ATOM 0 H ARG A 79 -4.481 -8.121 -1.483 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.825 -9.279 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.024 -8.545 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.656 -9.569 -4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.541 -10.823 -1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.059 -10.168 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.429 -11.382 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.873 -12.536 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.795 -10.963 -4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.223 -13.858 -3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.864 -14.044 -2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.866 -10.841 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.346 -12.353 -2.930 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.204 -6.325 -3.017 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.375 -5.208 -3.559 1.00 0.00 C ATOM 1078 C ASN A 80 -0.361 -4.791 -2.495 1.00 0.00 C ATOM 1079 O ASN A 80 0.809 -4.609 -2.770 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.355 -4.069 -3.838 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.810 -4.130 -5.296 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -2.928 -5.197 -5.866 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.074 -3.020 -5.927 1.00 0.00 N ATOM 0 H ASN A 80 -3.200 -6.126 -2.918 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.828 -5.485 -4.460 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.216 -4.146 -3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.880 -3.109 -3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.380 -3.047 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.975 -2.125 -5.448 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.801 -4.664 -1.273 1.00 0.00 N ATOM 1091 CA LEU A 81 0.138 -4.289 -0.184 1.00 0.00 C ATOM 1092 C LEU A 81 1.283 -5.297 -0.163 1.00 0.00 C ATOM 1093 O LEU A 81 2.423 -4.954 -0.330 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.683 -4.381 1.105 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.397 -3.163 1.987 1.00 0.00 C ATOM 1096 CD1 LEU A 81 1.114 -2.931 2.073 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.069 -1.929 1.381 1.00 0.00 C ATOM 0 H LEU A 81 -1.769 -4.804 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 81 0.565 -3.294 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.746 -4.429 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.434 -5.297 1.641 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.791 -3.340 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.314 -2.063 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.593 -3.810 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.512 -2.755 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.867 -1.060 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.674 -1.754 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.145 -2.092 1.323 1.00 0.00 H new ATOM 1109 N ASN A 82 0.969 -6.545 0.027 1.00 0.00 N ATOM 1110 CA ASN A 82 2.014 -7.606 0.049 1.00 0.00 C ATOM 1111 C ASN A 82 2.935 -7.483 -1.172 1.00 0.00 C ATOM 1112 O ASN A 82 4.132 -7.686 -1.087 1.00 0.00 O ATOM 1113 CB ASN A 82 1.207 -8.905 -0.009 1.00 0.00 C ATOM 1114 CG ASN A 82 1.049 -9.479 1.400 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.997 -9.534 2.157 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.120 -9.912 1.785 1.00 0.00 N ATOM 0 H ASN A 82 0.017 -6.882 0.171 1.00 0.00 H new ATOM 0 HA ASN A 82 2.662 -7.548 0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.227 -8.716 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.709 -9.628 -0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.238 -10.297 2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.916 -9.866 1.149 1.00 0.00 H new ATOM 1123 N VAL A 83 2.385 -7.149 -2.304 1.00 0.00 N ATOM 1124 CA VAL A 83 3.213 -7.009 -3.536 1.00 0.00 C ATOM 1125 C VAL A 83 4.245 -5.895 -3.341 1.00 0.00 C ATOM 1126 O VAL A 83 5.419 -6.054 -3.624 1.00 0.00 O ATOM 1127 CB VAL A 83 2.198 -6.647 -4.623 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.903 -5.975 -5.800 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.503 -7.920 -5.109 1.00 0.00 C ATOM 0 H VAL A 83 1.390 -6.965 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 83 3.775 -7.908 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 83 1.463 -5.957 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.171 -5.722 -6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.398 -5.066 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.644 -6.656 -6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.779 -7.666 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.245 -8.607 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.989 -8.395 -4.274 1.00 0.00 H new ATOM 1139 N ILE A 84 3.814 -4.774 -2.839 1.00 0.00 N ATOM 1140 CA ILE A 84 4.759 -3.649 -2.601 1.00 0.00 C ATOM 1141 C ILE A 84 5.739 -4.047 -1.497 1.00 0.00 C ATOM 1142 O ILE A 84 6.935 -3.995 -1.669 1.00 0.00 O ATOM 1143 CB ILE A 84 3.863 -2.489 -2.160 1.00 0.00 C ATOM 1144 CG1 ILE A 84 3.019 -2.030 -3.350 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.712 -1.319 -1.661 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.726 -1.400 -2.839 1.00 0.00 C ATOM 0 H ILE A 84 2.845 -4.587 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 84 5.354 -3.384 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 84 3.218 -2.826 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.576 -1.310 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.793 -2.877 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.060 -0.502 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.316 -1.643 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.367 -0.977 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.122 -1.072 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.168 -2.135 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.963 -0.543 -2.208 1.00 0.00 H new ATOM 1158 N LEU A 85 5.233 -4.474 -0.378 1.00 0.00 N ATOM 1159 CA LEU A 85 6.115 -4.909 0.732 1.00 0.00 C ATOM 1160 C LEU A 85 7.036 -6.017 0.236 1.00 0.00 C ATOM 1161 O LEU A 85 8.089 -6.261 0.787 1.00 0.00 O ATOM 1162 CB LEU A 85 5.145 -5.425 1.792 1.00 0.00 C ATOM 1163 CG LEU A 85 4.261 -4.268 2.239 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.401 -4.704 3.424 1.00 0.00 C ATOM 1165 CD2 LEU A 85 5.138 -3.086 2.642 1.00 0.00 C ATOM 0 H LEU A 85 4.234 -4.540 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 85 6.756 -4.118 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.536 -6.233 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.693 -5.833 2.641 1.00 0.00 H new ATOM 0 HG LEU A 85 3.609 -3.970 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.770 -3.874 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.773 -5.544 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.045 -5.006 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.507 -2.257 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.793 -3.381 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.742 -2.774 1.790 1.00 0.00 H new ATOM 1177 N ALA A 86 6.646 -6.678 -0.820 1.00 0.00 N ATOM 1178 CA ALA A 86 7.504 -7.761 -1.378 1.00 0.00 C ATOM 1179 C ALA A 86 8.562 -7.148 -2.300 1.00 0.00 C ATOM 1180 O ALA A 86 9.667 -7.641 -2.416 1.00 0.00 O ATOM 1181 CB ALA A 86 6.550 -8.653 -2.172 1.00 0.00 C ATOM 0 H ALA A 86 5.772 -6.515 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 86 8.030 -8.323 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.108 -9.478 -2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.784 -9.050 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.077 -8.068 -2.961 1.00 0.00 H new ATOM 1187 N LYS A 87 8.225 -6.068 -2.952 1.00 0.00 N ATOM 1188 CA LYS A 87 9.195 -5.402 -3.866 1.00 0.00 C ATOM 1189 C LYS A 87 10.152 -4.522 -3.066 1.00 0.00 C ATOM 1190 O LYS A 87 11.217 -4.158 -3.525 1.00 0.00 O ATOM 1191 CB LYS A 87 8.331 -4.528 -4.764 1.00 0.00 C ATOM 1192 CG LYS A 87 9.188 -3.937 -5.880 1.00 0.00 C ATOM 1193 CD LYS A 87 8.311 -3.083 -6.792 1.00 0.00 C ATOM 1194 CE LYS A 87 8.381 -3.618 -8.222 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.226 -2.991 -8.923 1.00 0.00 N ATOM 0 H LYS A 87 7.313 -5.616 -2.890 1.00 0.00 H new ATOM 0 HA LYS A 87 9.798 -6.119 -4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.518 -5.117 -5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.874 -3.729 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.990 -3.332 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.660 -4.735 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.280 -3.097 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.643 -2.045 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.324 -3.351 -8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.311 -4.706 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.206 -3.310 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.342 -3.269 -8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.323 -1.956 -8.895 1.00 0.00 H new ATOM 1209 N TYR A 88 9.766 -4.164 -1.878 1.00 0.00 N ATOM 1210 CA TYR A 88 10.626 -3.290 -1.040 1.00 0.00 C ATOM 1211 C TYR A 88 10.833 -3.918 0.330 1.00 0.00 C ATOM 1212 O TYR A 88 11.442 -3.332 1.202 1.00 0.00 O ATOM 1213 CB TYR A 88 9.834 -1.990 -0.890 1.00 0.00 C ATOM 1214 CG TYR A 88 9.264 -1.578 -2.221 1.00 0.00 C ATOM 1215 CD1 TYR A 88 10.118 -1.137 -3.231 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.885 -1.638 -2.439 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.599 -0.755 -4.469 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.356 -1.257 -3.678 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.215 -0.814 -4.697 1.00 0.00 C ATOM 1220 OH TYR A 88 7.697 -0.433 -5.918 1.00 0.00 O ATOM 0 H TYR A 88 8.884 -4.442 -1.447 1.00 0.00 H new ATOM 0 HA TYR A 88 11.609 -3.135 -1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.030 -2.126 -0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.481 -1.203 -0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.183 -1.091 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.228 -1.978 -1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.262 -0.414 -5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.291 -1.304 -3.850 1.00 0.00 H new ATOM 0 HH TYR A 88 6.750 -0.681 -5.963 1.00 0.00 H new ATOM 1230 N GLY A 89 10.312 -5.095 0.543 1.00 0.00 N ATOM 1231 CA GLY A 89 10.470 -5.725 1.879 1.00 0.00 C ATOM 1232 C GLY A 89 10.131 -4.676 2.936 1.00 0.00 C ATOM 1233 O GLY A 89 10.709 -4.642 4.006 1.00 0.00 O ATOM 0 H GLY A 89 9.790 -5.641 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.812 -6.589 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.490 -6.085 2.013 1.00 0.00 H new ATOM 1237 N LEU A 90 9.198 -3.809 2.635 1.00 0.00 N ATOM 1238 CA LEU A 90 8.820 -2.750 3.609 1.00 0.00 C ATOM 1239 C LEU A 90 8.153 -3.394 4.824 1.00 0.00 C ATOM 1240 O LEU A 90 8.159 -2.858 5.912 1.00 0.00 O ATOM 1241 CB LEU A 90 7.832 -1.859 2.848 1.00 0.00 C ATOM 1242 CG LEU A 90 8.584 -0.751 2.105 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.810 -0.364 0.839 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.715 0.475 3.014 1.00 0.00 C ATOM 0 H LEU A 90 8.683 -3.792 1.755 1.00 0.00 H new ATOM 0 HA LEU A 90 9.673 -2.180 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.261 -2.459 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.117 -1.420 3.543 1.00 0.00 H new ATOM 0 HG LEU A 90 9.576 -1.110 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.346 0.425 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.715 -1.235 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.818 -0.006 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.250 1.264 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.722 0.831 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.266 0.203 3.914 1.00 0.00 H new ATOM 1256 N ASP A 91 7.585 -4.551 4.638 1.00 0.00 N ATOM 1257 CA ASP A 91 6.918 -5.255 5.768 1.00 0.00 C ATOM 1258 C ASP A 91 6.362 -6.598 5.284 1.00 0.00 C ATOM 1259 O ASP A 91 5.360 -7.078 5.774 1.00 0.00 O ATOM 1260 CB ASP A 91 5.785 -4.328 6.205 1.00 0.00 C ATOM 1261 CG ASP A 91 4.956 -5.017 7.290 1.00 0.00 C ATOM 1262 OD1 ASP A 91 5.473 -5.933 7.910 1.00 0.00 O ATOM 1263 OD2 ASP A 91 3.820 -4.618 7.482 1.00 0.00 O ATOM 0 H ASP A 91 7.554 -5.043 3.745 1.00 0.00 H new ATOM 0 HA ASP A 91 7.602 -5.466 6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.193 -3.391 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.154 -4.080 5.352 1.00 0.00 H new ATOM 1268 N GLY A 92 7.006 -7.202 4.322 1.00 0.00 N ATOM 1269 CA GLY A 92 6.517 -8.509 3.800 1.00 0.00 C ATOM 1270 C GLY A 92 7.103 -9.646 4.635 1.00 0.00 C ATOM 1271 O GLY A 92 8.303 -9.792 4.749 1.00 0.00 O ATOM 0 H GLY A 92 7.851 -6.846 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.428 -8.542 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.805 -8.626 2.755 1.00 0.00 H new ATOM 1275 N LYS A 93 6.264 -10.453 5.220 1.00 0.00 N ATOM 1276 CA LYS A 93 6.768 -11.584 6.048 1.00 0.00 C ATOM 1277 C LYS A 93 7.903 -12.312 5.318 1.00 0.00 C ATOM 1278 O LYS A 93 9.065 -12.017 5.513 1.00 0.00 O ATOM 1279 CB LYS A 93 5.558 -12.501 6.227 1.00 0.00 C ATOM 1280 CG LYS A 93 5.970 -13.749 7.008 1.00 0.00 C ATOM 1281 CD LYS A 93 5.293 -13.733 8.378 1.00 0.00 C ATOM 1282 CE LYS A 93 6.309 -13.331 9.449 1.00 0.00 C ATOM 1283 NZ LYS A 93 5.504 -13.129 10.686 1.00 0.00 N ATOM 0 H LYS A 93 5.248 -10.378 5.161 1.00 0.00 H new ATOM 0 HA LYS A 93 7.175 -11.255 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.765 -11.974 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.157 -12.785 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.685 -14.646 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.053 -13.778 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.458 -13.033 8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.882 -14.717 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.062 -14.107 9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.838 -12.420 9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.132 -12.851 11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.800 -12.381 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.017 -14.014 10.932 1.00 0.00 H new ATOM 1297 N LYS A 94 7.577 -13.259 4.480 1.00 0.00 N ATOM 1298 CA LYS A 94 8.637 -14.001 3.739 1.00 0.00 C ATOM 1299 C LYS A 94 8.009 -14.808 2.602 1.00 0.00 C ATOM 1300 O LYS A 94 8.423 -15.912 2.308 1.00 0.00 O ATOM 1301 CB LYS A 94 9.270 -14.934 4.772 1.00 0.00 C ATOM 1302 CG LYS A 94 10.745 -14.571 4.950 1.00 0.00 C ATOM 1303 CD LYS A 94 11.338 -15.386 6.103 1.00 0.00 C ATOM 1304 CE LYS A 94 11.879 -16.712 5.565 1.00 0.00 C ATOM 1305 NZ LYS A 94 13.355 -16.523 5.489 1.00 0.00 N ATOM 0 H LYS A 94 6.621 -13.551 4.276 1.00 0.00 H new ATOM 0 HA LYS A 94 9.374 -13.334 3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.746 -14.849 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.176 -15.970 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.293 -14.772 4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.846 -13.505 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.137 -14.824 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.576 -15.572 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.621 -17.541 6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.459 -16.941 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.798 -17.392 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.571 -15.732 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.727 -16.313 6.437 1.00 0.00 H new ATOM 1319 N ASP A 95 7.011 -14.265 1.960 1.00 0.00 N ATOM 1320 CA ASP A 95 6.352 -15.004 0.844 1.00 0.00 C ATOM 1321 C ASP A 95 5.498 -14.050 0.004 1.00 0.00 C ATOM 1322 O ASP A 95 4.827 -13.179 0.522 1.00 0.00 O ATOM 1323 CB ASP A 95 5.472 -16.049 1.530 1.00 0.00 C ATOM 1324 CG ASP A 95 5.549 -17.367 0.758 1.00 0.00 C ATOM 1325 OD1 ASP A 95 4.972 -17.436 -0.316 1.00 0.00 O ATOM 1326 OD2 ASP A 95 6.181 -18.285 1.253 1.00 0.00 O ATOM 0 H ASP A 95 6.623 -13.343 2.159 1.00 0.00 H new ATOM 0 HA ASP A 95 7.075 -15.458 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.801 -16.198 2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.440 -15.700 1.572 1.00 0.00 H new ATOM 1331 N ALA A 96 5.517 -14.209 -1.292 1.00 0.00 N ATOM 1332 CA ALA A 96 4.708 -13.315 -2.169 1.00 0.00 C ATOM 1333 C ALA A 96 4.666 -13.874 -3.593 1.00 0.00 C ATOM 1334 O ALA A 96 4.792 -13.148 -4.560 1.00 0.00 O ATOM 1335 CB ALA A 96 5.433 -11.967 -2.142 1.00 0.00 C ATOM 0 H ALA A 96 6.059 -14.921 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 96 3.676 -13.227 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.896 -11.253 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.473 -11.596 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.447 -12.092 -2.522 1.00 0.00 H new ATOM 1341 N ARG A 97 4.492 -15.161 -3.728 1.00 0.00 N ATOM 1342 CA ARG A 97 4.445 -15.769 -5.088 1.00 0.00 C ATOM 1343 C ARG A 97 3.577 -14.918 -6.018 1.00 0.00 C ATOM 1344 O ARG A 97 4.123 -14.339 -6.943 1.00 0.00 O ATOM 1345 CB ARG A 97 3.819 -17.150 -4.886 1.00 0.00 C ATOM 1346 CG ARG A 97 2.451 -17.002 -4.218 1.00 0.00 C ATOM 1347 CD ARG A 97 2.126 -18.272 -3.428 1.00 0.00 C ATOM 1348 NE ARG A 97 1.469 -19.180 -4.410 1.00 0.00 N ATOM 1349 CZ ARG A 97 0.256 -19.607 -4.191 1.00 0.00 C ATOM 1350 NH1 ARG A 97 -0.137 -19.861 -2.973 1.00 0.00 N ATOM 1351 NH2 ARG A 97 -0.565 -19.785 -5.191 1.00 0.00 N ATOM 1352 OXT ARG A 97 2.380 -14.859 -5.789 1.00 0.00 O ATOM 0 H ARG A 97 4.380 -15.817 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 97 5.433 -15.833 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.713 -17.656 -5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 97 4.471 -17.769 -4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.451 -16.138 -3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.684 -16.824 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.029 -18.723 -3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.466 -18.056 -2.588 1.00 0.00 H new ATOM 0 HE ARG A 97 1.967 -19.467 -5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.504 -19.726 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.086 -20.195 -2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.258 -19.590 -6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.513 -20.119 -5.019 1.00 0.00 H new TER 1366 ARG A 97