USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 815 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 96 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-2.7) USER MOD Set 1.2: A 99 THR OG1 : rot -130:sc= 0.0469 USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0.0638 USER MOD Set 2.2: A 79 SER OG : rot 89:sc= 0.137 USER MOD Set 2.3: A 82 GLN : amide:sc= 0.341 K(o=0.54,f=-4.9!) USER MOD Set 3.1: A 55 ASN : amide:sc= 2.04 K(o=3.3,f=-12!) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -169:sc= 1.22 (180deg=-0.0559) USER MOD Set 4.1: A 44 SER OG : rot -94:sc= 0.438 USER MOD Set 4.2: A 58 HIS : no HD1:sc= 1.1 K(o=1.5,f=-5.9!) USER MOD Set 5.1: A 34 SER OG : rot 75:sc= 2.17 USER MOD Set 5.2: A 42 CYS SG : rot 69:sc= 1.09 USER MOD Set 6.1: A 28 THR OG1 : rot 77:sc= 0.339 USER MOD Set 6.2: A 100 ASN : amide:sc= 0.884 K(o=1.2,f=-0.37) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0217 USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -0.0147 (180deg=-0.197) USER MOD Single : A 11 THR OG1 : rot -76:sc= 1.18 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.38 K(o=-2.4,f=-8.7!) USER MOD Single : A 24 ASN : amide:sc= 0.0842 K(o=0.084,f=-0.59) USER MOD Single : A 36 THR OG1 : rot -60:sc= 1.04 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 151:sc= 0.564 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.466 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.12) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0299) USER MOD Single : A 66 SER OG : rot 74:sc= 1.25 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 103:sc= 1.3 USER MOD Single : A 76 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.6!) USER MOD Single : A 81 GLN : amide:sc= 0.524 K(o=0.52,f=-4.7!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 49:sc= 1.25 USER MOD Single : A 88 SER OG : rot 44:sc= 1.26 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.322 K(o=0.32,f=-1.4) USER MOD Single : A 95 CYS SG : rot -20:sc= 0.153 USER MOD Single : A 102 CYS SG : rot -42:sc= 0.26 USER MOD Single : A 104 THR OG1 : rot 41:sc= 0.0348 USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 5.209 -3.235 -12.161 1.00 0.00 N ATOM 31 CA GLU A 3 4.092 -2.370 -11.809 1.00 0.00 C ATOM 32 C GLU A 3 4.570 -1.288 -10.848 1.00 0.00 C ATOM 33 O GLU A 3 5.297 -1.568 -9.896 1.00 0.00 O ATOM 34 CB GLU A 3 2.963 -3.174 -11.164 1.00 0.00 C ATOM 35 CG GLU A 3 2.409 -4.284 -12.043 1.00 0.00 C ATOM 36 CD GLU A 3 1.900 -3.780 -13.381 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.049 -2.866 -13.396 1.00 0.00 O ATOM 38 OE2 GLU A 3 2.354 -4.300 -14.420 1.00 0.00 O ATOM 0 HA GLU A 3 3.708 -1.910 -12.719 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.328 -3.610 -10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.152 -2.495 -10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.187 -5.028 -12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.597 -4.786 -11.517 1.00 0.00 H new ATOM 45 N GLU A 4 4.153 -0.055 -11.114 1.00 0.00 N ATOM 46 CA GLU A 4 4.616 1.114 -10.369 1.00 0.00 C ATOM 47 C GLU A 4 4.310 1.003 -8.879 1.00 0.00 C ATOM 48 O GLU A 4 5.009 1.587 -8.053 1.00 0.00 O ATOM 49 CB GLU A 4 3.956 2.378 -10.921 1.00 0.00 C ATOM 50 CG GLU A 4 4.131 2.551 -12.418 1.00 0.00 C ATOM 51 CD GLU A 4 3.466 3.808 -12.936 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.271 3.750 -13.295 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.139 4.862 -12.986 1.00 0.00 O ATOM 0 H GLU A 4 3.484 0.164 -11.852 1.00 0.00 H new ATOM 0 HA GLU A 4 5.698 1.166 -10.490 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.891 2.353 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.373 3.247 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.194 2.582 -12.655 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.715 1.685 -12.932 1.00 0.00 H new ATOM 60 N TRP A 5 3.261 0.263 -8.557 1.00 0.00 N ATOM 61 CA TRP A 5 2.789 0.135 -7.184 1.00 0.00 C ATOM 62 C TRP A 5 3.155 -1.220 -6.574 1.00 0.00 C ATOM 63 O TRP A 5 3.395 -1.317 -5.371 1.00 0.00 O ATOM 64 CB TRP A 5 1.269 0.348 -7.141 1.00 0.00 C ATOM 65 CG TRP A 5 0.555 -0.206 -8.340 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.285 0.458 -9.503 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.024 -1.527 -8.504 1.00 0.00 C ATOM 68 NE1 TRP A 5 -0.365 -0.371 -10.380 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.542 -1.592 -9.790 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.028 -2.660 -7.692 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -1.142 -2.747 -10.281 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.626 -3.804 -8.181 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.177 -3.840 -9.464 1.00 0.00 C ATOM 0 H TRP A 5 2.713 -0.265 -9.236 1.00 0.00 H new ATOM 0 HA TRP A 5 3.285 0.900 -6.586 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.869 -0.120 -6.241 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.061 1.415 -7.065 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.546 1.487 -9.702 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.668 -0.118 -11.321 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.393 -2.642 -6.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.565 -2.778 -11.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.669 -4.687 -7.561 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.640 -4.750 -9.816 1.00 0.00 H new ATOM 84 N TYR A 6 3.201 -2.256 -7.403 1.00 0.00 N ATOM 85 CA TYR A 6 3.430 -3.616 -6.923 1.00 0.00 C ATOM 86 C TYR A 6 4.914 -3.938 -6.903 1.00 0.00 C ATOM 87 O TYR A 6 5.545 -4.075 -7.949 1.00 0.00 O ATOM 88 CB TYR A 6 2.690 -4.625 -7.805 1.00 0.00 C ATOM 89 CG TYR A 6 2.684 -6.033 -7.257 1.00 0.00 C ATOM 90 CD1 TYR A 6 1.804 -6.398 -6.247 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.549 -7.000 -7.754 1.00 0.00 C ATOM 92 CE1 TYR A 6 1.792 -7.682 -5.744 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.541 -8.289 -7.256 1.00 0.00 C ATOM 94 CZ TYR A 6 2.660 -8.626 -6.251 1.00 0.00 C ATOM 95 OH TYR A 6 2.647 -9.908 -5.752 1.00 0.00 O ATOM 0 H TYR A 6 3.083 -2.181 -8.413 1.00 0.00 H new ATOM 0 HA TYR A 6 3.045 -3.685 -5.905 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.660 -4.292 -7.934 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.149 -4.633 -8.794 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.118 -5.665 -5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.239 -6.740 -8.543 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.104 -7.948 -4.955 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.221 -9.028 -7.652 1.00 0.00 H new ATOM 0 HH TYR A 6 3.319 -10.447 -6.219 1.00 0.00 H new ATOM 105 N PHE A 7 5.464 -4.073 -5.710 1.00 0.00 N ATOM 106 CA PHE A 7 6.884 -4.358 -5.557 1.00 0.00 C ATOM 107 C PHE A 7 7.122 -5.801 -5.122 1.00 0.00 C ATOM 108 O PHE A 7 8.149 -6.118 -4.517 1.00 0.00 O ATOM 109 CB PHE A 7 7.514 -3.375 -4.568 1.00 0.00 C ATOM 110 CG PHE A 7 7.701 -2.005 -5.152 1.00 0.00 C ATOM 111 CD1 PHE A 7 8.838 -1.703 -5.885 1.00 0.00 C ATOM 112 CD2 PHE A 7 6.739 -1.024 -4.980 1.00 0.00 C ATOM 113 CE1 PHE A 7 9.012 -0.449 -6.436 1.00 0.00 C ATOM 114 CE2 PHE A 7 6.907 0.233 -5.528 1.00 0.00 C ATOM 115 CZ PHE A 7 8.045 0.521 -6.257 1.00 0.00 C ATOM 0 H PHE A 7 4.952 -3.990 -4.832 1.00 0.00 H new ATOM 0 HA PHE A 7 7.363 -4.232 -6.528 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.884 -3.304 -3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.480 -3.762 -4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.597 -2.458 -6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.848 -1.244 -4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 7 9.902 -0.227 -7.006 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.150 0.990 -5.387 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.178 1.503 -6.686 1.00 0.00 H new ATOM 125 N GLY A 8 6.177 -6.674 -5.445 1.00 0.00 N ATOM 126 CA GLY A 8 6.318 -8.084 -5.122 1.00 0.00 C ATOM 127 C GLY A 8 6.148 -8.333 -3.644 1.00 0.00 C ATOM 128 O GLY A 8 5.426 -7.601 -2.976 1.00 0.00 O ATOM 0 H GLY A 8 5.311 -6.431 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.578 -8.661 -5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.300 -8.435 -5.440 1.00 0.00 H new ATOM 132 N LYS A 9 6.802 -9.356 -3.123 1.00 0.00 N ATOM 133 CA LYS A 9 6.775 -9.595 -1.692 1.00 0.00 C ATOM 134 C LYS A 9 8.120 -9.254 -1.067 1.00 0.00 C ATOM 135 O LYS A 9 8.886 -10.134 -0.668 1.00 0.00 O ATOM 136 CB LYS A 9 6.354 -11.031 -1.341 1.00 0.00 C ATOM 137 CG LYS A 9 7.105 -12.138 -2.059 1.00 0.00 C ATOM 138 CD LYS A 9 6.858 -13.473 -1.375 1.00 0.00 C ATOM 139 CE LYS A 9 7.343 -14.644 -2.211 1.00 0.00 C ATOM 140 NZ LYS A 9 6.525 -14.823 -3.437 1.00 0.00 N ATOM 0 H LYS A 9 7.351 -10.026 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 9 6.015 -8.936 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.477 -11.173 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.291 -11.140 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.783 -12.190 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.172 -11.917 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.364 -13.484 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.792 -13.586 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.385 -14.485 -2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.308 -15.556 -1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.700 -15.767 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.517 -14.729 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.784 -14.098 -4.136 1.00 0.00 H new ATOM 154 N ILE A 10 8.415 -7.963 -1.010 1.00 0.00 N ATOM 155 CA ILE A 10 9.583 -7.485 -0.292 1.00 0.00 C ATOM 156 C ILE A 10 9.323 -7.579 1.203 1.00 0.00 C ATOM 157 O ILE A 10 8.179 -7.464 1.653 1.00 0.00 O ATOM 158 CB ILE A 10 9.944 -6.027 -0.657 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.770 -5.087 -0.372 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.367 -5.930 -2.117 1.00 0.00 C ATOM 161 CD1 ILE A 10 9.098 -3.626 -0.593 1.00 0.00 C ATOM 0 H ILE A 10 7.861 -7.230 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 10 10.426 -8.113 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 10 10.784 -5.719 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.931 -5.363 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.446 -5.226 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.617 -4.896 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.238 -6.563 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.548 -6.262 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.220 -3.019 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.917 -3.333 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.394 -3.472 -1.631 1.00 0.00 H new ATOM 173 N THR A 11 10.375 -7.799 1.966 1.00 0.00 N ATOM 174 CA THR A 11 10.245 -7.973 3.397 1.00 0.00 C ATOM 175 C THR A 11 10.055 -6.634 4.101 1.00 0.00 C ATOM 176 O THR A 11 10.261 -5.575 3.495 1.00 0.00 O ATOM 177 CB THR A 11 11.467 -8.707 3.981 1.00 0.00 C ATOM 178 OG1 THR A 11 12.677 -8.031 3.609 1.00 0.00 O ATOM 179 CG2 THR A 11 11.513 -10.150 3.495 1.00 0.00 C ATOM 0 H THR A 11 11.331 -7.861 1.617 1.00 0.00 H new ATOM 0 HA THR A 11 9.358 -8.583 3.570 1.00 0.00 H new ATOM 0 HB THR A 11 11.376 -8.707 5.067 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.884 -8.224 2.671 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.384 -10.649 3.920 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.608 -10.669 3.810 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.580 -10.166 2.407 1.00 0.00 H new ATOM 187 N ARG A 12 9.664 -6.674 5.365 1.00 0.00 N ATOM 188 CA ARG A 12 9.412 -5.462 6.124 1.00 0.00 C ATOM 189 C ARG A 12 10.658 -4.583 6.171 1.00 0.00 C ATOM 190 O ARG A 12 10.572 -3.370 5.970 1.00 0.00 O ATOM 191 CB ARG A 12 8.948 -5.787 7.545 1.00 0.00 C ATOM 192 CG ARG A 12 8.635 -4.541 8.345 1.00 0.00 C ATOM 193 CD ARG A 12 8.189 -4.845 9.764 1.00 0.00 C ATOM 194 NE ARG A 12 7.900 -3.606 10.474 1.00 0.00 N ATOM 195 CZ ARG A 12 7.061 -3.488 11.493 1.00 0.00 C ATOM 196 NH1 ARG A 12 6.509 -4.560 12.046 1.00 0.00 N ATOM 197 NH2 ARG A 12 6.792 -2.283 11.974 1.00 0.00 N ATOM 0 H ARG A 12 9.514 -7.537 5.888 1.00 0.00 H new ATOM 0 HA ARG A 12 8.616 -4.916 5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.061 -6.420 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.722 -6.359 8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.519 -3.904 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.853 -3.976 7.837 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.302 -5.479 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.968 -5.400 10.287 1.00 0.00 H new ATOM 0 HE ARG A 12 8.382 -2.763 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.729 -5.489 11.687 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.865 -4.455 12.830 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.229 -1.459 11.560 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.148 -2.179 12.758 1.00 0.00 H new ATOM 211 N ARG A 13 11.812 -5.206 6.415 1.00 0.00 N ATOM 212 CA ARG A 13 13.080 -4.488 6.489 1.00 0.00 C ATOM 213 C ARG A 13 13.299 -3.648 5.236 1.00 0.00 C ATOM 214 O ARG A 13 13.681 -2.486 5.318 1.00 0.00 O ATOM 215 CB ARG A 13 14.247 -5.465 6.658 1.00 0.00 C ATOM 216 CG ARG A 13 14.175 -6.317 7.914 1.00 0.00 C ATOM 217 CD ARG A 13 13.973 -5.477 9.165 1.00 0.00 C ATOM 218 NE ARG A 13 15.024 -4.477 9.346 1.00 0.00 N ATOM 219 CZ ARG A 13 15.264 -3.857 10.500 1.00 0.00 C ATOM 220 NH1 ARG A 13 14.594 -4.209 11.589 1.00 0.00 N ATOM 221 NH2 ARG A 13 16.180 -2.900 10.567 1.00 0.00 N ATOM 0 H ARG A 13 11.892 -6.212 6.565 1.00 0.00 H new ATOM 0 HA ARG A 13 13.038 -3.829 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 13 14.283 -6.122 5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.179 -4.900 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.356 -7.030 7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.093 -6.896 8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.006 -4.977 9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.945 -6.131 10.037 1.00 0.00 H new ATOM 0 HE ARG A 13 15.607 -4.241 8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.897 -4.953 11.541 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.775 -3.736 12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.704 -2.636 9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.360 -2.428 11.453 1.00 0.00 H new ATOM 235 N GLU A 14 13.037 -4.247 4.081 1.00 0.00 N ATOM 236 CA GLU A 14 13.191 -3.563 2.803 1.00 0.00 C ATOM 237 C GLU A 14 12.184 -2.428 2.676 1.00 0.00 C ATOM 238 O GLU A 14 12.543 -1.287 2.368 1.00 0.00 O ATOM 239 CB GLU A 14 12.992 -4.552 1.655 1.00 0.00 C ATOM 240 CG GLU A 14 13.986 -5.696 1.657 1.00 0.00 C ATOM 241 CD GLU A 14 13.630 -6.769 0.652 1.00 0.00 C ATOM 242 OE1 GLU A 14 14.077 -6.677 -0.510 1.00 0.00 O ATOM 243 OE2 GLU A 14 12.898 -7.710 1.018 1.00 0.00 O ATOM 0 H GLU A 14 12.715 -5.212 4.003 1.00 0.00 H new ATOM 0 HA GLU A 14 14.197 -3.147 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.982 -4.959 1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.069 -4.017 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.981 -5.310 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.029 -6.135 2.654 1.00 0.00 H new ATOM 250 N SER A 15 10.925 -2.754 2.937 1.00 0.00 N ATOM 251 CA SER A 15 9.830 -1.814 2.765 1.00 0.00 C ATOM 252 C SER A 15 10.006 -0.586 3.656 1.00 0.00 C ATOM 253 O SER A 15 9.960 0.548 3.178 1.00 0.00 O ATOM 254 CB SER A 15 8.497 -2.506 3.070 1.00 0.00 C ATOM 255 OG SER A 15 7.390 -1.693 2.715 1.00 0.00 O ATOM 0 H SER A 15 10.637 -3.673 3.272 1.00 0.00 H new ATOM 0 HA SER A 15 9.831 -1.475 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.444 -3.450 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.446 -2.746 4.132 1.00 0.00 H new ATOM 0 HG SER A 15 6.557 -2.166 2.922 1.00 0.00 H new ATOM 261 N GLU A 16 10.234 -0.807 4.942 1.00 0.00 N ATOM 262 CA GLU A 16 10.305 0.297 5.888 1.00 0.00 C ATOM 263 C GLU A 16 11.638 1.030 5.797 1.00 0.00 C ATOM 264 O GLU A 16 11.741 2.182 6.213 1.00 0.00 O ATOM 265 CB GLU A 16 10.047 -0.183 7.315 1.00 0.00 C ATOM 266 CG GLU A 16 8.626 -0.680 7.530 1.00 0.00 C ATOM 267 CD GLU A 16 8.303 -0.926 8.988 1.00 0.00 C ATOM 268 OE1 GLU A 16 9.189 -1.409 9.724 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.161 -0.646 9.406 1.00 0.00 O ATOM 0 H GLU A 16 10.372 -1.731 5.352 1.00 0.00 H new ATOM 0 HA GLU A 16 9.520 1.004 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.746 -0.985 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.249 0.633 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.926 0.051 7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.481 -1.604 6.970 1.00 0.00 H new ATOM 276 N ARG A 17 12.656 0.385 5.238 1.00 0.00 N ATOM 277 CA ARG A 17 13.938 1.051 5.027 1.00 0.00 C ATOM 278 C ARG A 17 13.743 2.235 4.084 1.00 0.00 C ATOM 279 O ARG A 17 14.369 3.288 4.235 1.00 0.00 O ATOM 280 CB ARG A 17 14.967 0.079 4.443 1.00 0.00 C ATOM 281 CG ARG A 17 16.388 0.618 4.440 1.00 0.00 C ATOM 282 CD ARG A 17 17.362 -0.383 3.838 1.00 0.00 C ATOM 283 NE ARG A 17 17.119 -0.593 2.414 1.00 0.00 N ATOM 284 CZ ARG A 17 17.170 -1.775 1.805 1.00 0.00 C ATOM 285 NH1 ARG A 17 17.512 -2.872 2.474 1.00 0.00 N ATOM 286 NH2 ARG A 17 16.904 -1.844 0.514 1.00 0.00 N ATOM 0 H ARG A 17 12.621 -0.586 4.926 1.00 0.00 H new ATOM 0 HA ARG A 17 14.313 1.405 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.942 -0.849 5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.680 -0.168 3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.424 1.548 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.691 0.854 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 17 18.382 -0.028 3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.277 -1.334 4.365 1.00 0.00 H new ATOM 0 HE ARG A 17 16.894 0.224 1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.739 -2.814 3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.547 -3.772 1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.663 -0.998 -0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.939 -2.743 0.033 1.00 0.00 H new ATOM 300 N LEU A 18 12.852 2.053 3.117 1.00 0.00 N ATOM 301 CA LEU A 18 12.521 3.101 2.160 1.00 0.00 C ATOM 302 C LEU A 18 11.502 4.080 2.748 1.00 0.00 C ATOM 303 O LEU A 18 11.652 5.295 2.621 1.00 0.00 O ATOM 304 CB LEU A 18 11.963 2.481 0.877 1.00 0.00 C ATOM 305 CG LEU A 18 12.932 1.575 0.115 1.00 0.00 C ATOM 306 CD1 LEU A 18 12.216 0.875 -1.029 1.00 0.00 C ATOM 307 CD2 LEU A 18 14.109 2.380 -0.413 1.00 0.00 C ATOM 0 H LEU A 18 12.342 1.181 2.975 1.00 0.00 H new ATOM 0 HA LEU A 18 13.433 3.651 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.073 1.904 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.644 3.285 0.213 1.00 0.00 H new ATOM 0 HG LEU A 18 13.310 0.819 0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.919 0.234 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.402 0.269 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.813 1.619 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.788 1.720 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.746 3.156 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.638 2.842 0.421 1.00 0.00 H new ATOM 319 N LEU A 19 10.481 3.543 3.405 1.00 0.00 N ATOM 320 CA LEU A 19 9.366 4.357 3.893 1.00 0.00 C ATOM 321 C LEU A 19 9.754 5.224 5.092 1.00 0.00 C ATOM 322 O LEU A 19 9.183 6.294 5.295 1.00 0.00 O ATOM 323 CB LEU A 19 8.178 3.466 4.260 1.00 0.00 C ATOM 324 CG LEU A 19 7.664 2.566 3.135 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.499 1.727 3.628 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.257 3.389 1.920 1.00 0.00 C ATOM 0 H LEU A 19 10.399 2.548 3.614 1.00 0.00 H new ATOM 0 HA LEU A 19 9.086 5.029 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.463 2.838 5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.359 4.101 4.598 1.00 0.00 H new ATOM 0 HG LEU A 19 8.472 1.900 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.141 1.090 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.825 1.105 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.693 2.382 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.895 2.725 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.466 4.084 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.118 3.948 1.554 1.00 0.00 H new ATOM 338 N LEU A 20 10.720 4.769 5.885 1.00 0.00 N ATOM 339 CA LEU A 20 11.182 5.534 7.045 1.00 0.00 C ATOM 340 C LEU A 20 12.204 6.591 6.642 1.00 0.00 C ATOM 341 O LEU A 20 12.978 7.073 7.471 1.00 0.00 O ATOM 342 CB LEU A 20 11.782 4.614 8.118 1.00 0.00 C ATOM 343 CG LEU A 20 10.797 4.070 9.159 1.00 0.00 C ATOM 344 CD1 LEU A 20 10.160 5.207 9.941 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.727 3.211 8.509 1.00 0.00 C ATOM 0 H LEU A 20 11.198 3.878 5.749 1.00 0.00 H new ATOM 0 HA LEU A 20 10.309 6.035 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.258 3.769 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.568 5.160 8.640 1.00 0.00 H new ATOM 0 HG LEU A 20 11.359 3.443 9.851 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.464 4.799 10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.936 5.775 10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.622 5.863 9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.044 2.840 9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.172 3.807 7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.196 2.368 8.002 1.00 0.00 H new ATOM 357 N ASN A 21 12.218 6.938 5.366 1.00 0.00 N ATOM 358 CA ASN A 21 13.069 8.006 4.878 1.00 0.00 C ATOM 359 C ASN A 21 12.233 9.275 4.734 1.00 0.00 C ATOM 360 O ASN A 21 11.259 9.298 3.978 1.00 0.00 O ATOM 361 CB ASN A 21 13.706 7.609 3.542 1.00 0.00 C ATOM 362 CG ASN A 21 14.813 8.553 3.110 1.00 0.00 C ATOM 363 OD1 ASN A 21 14.765 9.755 3.372 1.00 0.00 O ATOM 364 ND2 ASN A 21 15.823 8.012 2.446 1.00 0.00 N ATOM 0 H ASN A 21 11.647 6.493 4.648 1.00 0.00 H new ATOM 0 HA ASN A 21 13.877 8.191 5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.108 6.599 3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.936 7.584 2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.598 8.596 2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.826 7.011 2.248 1.00 0.00 H new ATOM 371 N PRO A 22 12.605 10.343 5.463 1.00 0.00 N ATOM 372 CA PRO A 22 11.808 11.579 5.564 1.00 0.00 C ATOM 373 C PRO A 22 11.664 12.352 4.249 1.00 0.00 C ATOM 374 O PRO A 22 11.050 13.420 4.219 1.00 0.00 O ATOM 375 CB PRO A 22 12.576 12.426 6.588 1.00 0.00 C ATOM 376 CG PRO A 22 13.493 11.478 7.283 1.00 0.00 C ATOM 377 CD PRO A 22 13.832 10.426 6.270 1.00 0.00 C ATOM 0 HA PRO A 22 10.782 11.343 5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.134 13.223 6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.895 12.901 7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.390 11.987 7.634 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.013 11.039 8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.695 10.709 5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.071 9.473 6.741 1.00 0.00 H new ATOM 385 N GLU A 23 12.233 11.826 3.170 1.00 0.00 N ATOM 386 CA GLU A 23 12.064 12.432 1.854 1.00 0.00 C ATOM 387 C GLU A 23 10.685 12.099 1.292 1.00 0.00 C ATOM 388 O GLU A 23 10.204 12.752 0.365 1.00 0.00 O ATOM 389 CB GLU A 23 13.157 11.961 0.892 1.00 0.00 C ATOM 390 CG GLU A 23 13.230 10.453 0.726 1.00 0.00 C ATOM 391 CD GLU A 23 14.346 10.028 -0.203 1.00 0.00 C ATOM 392 OE1 GLU A 23 15.530 10.245 0.135 1.00 0.00 O ATOM 393 OE2 GLU A 23 14.047 9.468 -1.277 1.00 0.00 O ATOM 0 H GLU A 23 12.812 10.986 3.180 1.00 0.00 H new ATOM 0 HA GLU A 23 12.149 13.513 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.987 12.415 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.121 12.323 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.377 9.990 1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.279 10.086 0.339 1.00 0.00 H new ATOM 400 N ASN A 24 10.049 11.090 1.872 1.00 0.00 N ATOM 401 CA ASN A 24 8.728 10.664 1.430 1.00 0.00 C ATOM 402 C ASN A 24 7.647 11.339 2.268 1.00 0.00 C ATOM 403 O ASN A 24 7.659 11.253 3.495 1.00 0.00 O ATOM 404 CB ASN A 24 8.577 9.141 1.518 1.00 0.00 C ATOM 405 CG ASN A 24 9.643 8.396 0.737 1.00 0.00 C ATOM 406 OD1 ASN A 24 9.550 8.238 -0.481 1.00 0.00 O ATOM 407 ND2 ASN A 24 10.647 7.902 1.441 1.00 0.00 N ATOM 0 H ASN A 24 10.427 10.551 2.651 1.00 0.00 H new ATOM 0 HA ASN A 24 8.614 10.960 0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.620 8.836 2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.594 8.856 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.381 7.368 0.977 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.687 8.055 2.449 1.00 0.00 H new ATOM 414 N PRO A 25 6.712 12.037 1.610 1.00 0.00 N ATOM 415 CA PRO A 25 5.617 12.741 2.284 1.00 0.00 C ATOM 416 C PRO A 25 4.461 11.814 2.661 1.00 0.00 C ATOM 417 O PRO A 25 4.426 10.644 2.260 1.00 0.00 O ATOM 418 CB PRO A 25 5.163 13.742 1.223 1.00 0.00 C ATOM 419 CG PRO A 25 5.418 13.047 -0.070 1.00 0.00 C ATOM 420 CD PRO A 25 6.651 12.208 0.142 1.00 0.00 C ATOM 0 HA PRO A 25 5.935 13.188 3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.109 13.994 1.338 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.723 14.675 1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.568 12.426 -0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.570 13.766 -0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.575 11.249 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.543 12.704 -0.241 1.00 0.00 H new ATOM 428 N ARG A 26 3.518 12.351 3.436 1.00 0.00 N ATOM 429 CA ARG A 26 2.311 11.625 3.814 1.00 0.00 C ATOM 430 C ARG A 26 1.528 11.204 2.576 1.00 0.00 C ATOM 431 O ARG A 26 0.948 12.035 1.878 1.00 0.00 O ATOM 432 CB ARG A 26 1.432 12.492 4.732 1.00 0.00 C ATOM 433 CG ARG A 26 -0.004 12.005 4.850 1.00 0.00 C ATOM 434 CD ARG A 26 -0.828 12.881 5.784 1.00 0.00 C ATOM 435 NE ARG A 26 -0.639 12.511 7.183 1.00 0.00 N ATOM 436 CZ ARG A 26 -1.090 13.212 8.217 1.00 0.00 C ATOM 437 NH1 ARG A 26 -1.727 14.362 8.024 1.00 0.00 N ATOM 438 NH2 ARG A 26 -0.904 12.752 9.449 1.00 0.00 N ATOM 0 H ARG A 26 3.571 13.296 3.816 1.00 0.00 H new ATOM 0 HA ARG A 26 2.605 10.727 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.879 12.520 5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.429 13.515 4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.465 11.994 3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.010 10.978 5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.549 13.925 5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.883 12.796 5.525 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.124 11.653 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.872 14.712 7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.071 14.895 8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.418 11.867 9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.247 13.284 10.249 1.00 0.00 H new ATOM 452 N GLY A 27 1.524 9.909 2.307 1.00 0.00 N ATOM 453 CA GLY A 27 0.829 9.400 1.145 1.00 0.00 C ATOM 454 C GLY A 27 1.706 8.513 0.296 1.00 0.00 C ATOM 455 O GLY A 27 1.255 7.977 -0.718 1.00 0.00 O ATOM 0 H GLY A 27 1.990 9.200 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.049 8.839 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.471 10.236 0.544 1.00 0.00 H new ATOM 459 N THR A 28 2.961 8.371 0.705 1.00 0.00 N ATOM 460 CA THR A 28 3.895 7.489 0.023 1.00 0.00 C ATOM 461 C THR A 28 3.577 6.034 0.341 1.00 0.00 C ATOM 462 O THR A 28 3.752 5.585 1.473 1.00 0.00 O ATOM 463 CB THR A 28 5.346 7.798 0.429 1.00 0.00 C ATOM 464 OG1 THR A 28 5.629 9.182 0.191 1.00 0.00 O ATOM 465 CG2 THR A 28 6.324 6.938 -0.355 1.00 0.00 C ATOM 0 H THR A 28 3.355 8.859 1.510 1.00 0.00 H new ATOM 0 HA THR A 28 3.790 7.658 -1.049 1.00 0.00 H new ATOM 0 HB THR A 28 5.461 7.574 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.221 9.725 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.343 7.175 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.122 5.885 -0.158 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.209 7.136 -1.421 1.00 0.00 H new ATOM 473 N PHE A 29 3.105 5.304 -0.654 1.00 0.00 N ATOM 474 CA PHE A 29 2.670 3.934 -0.444 1.00 0.00 C ATOM 475 C PHE A 29 3.344 2.979 -1.422 1.00 0.00 C ATOM 476 O PHE A 29 3.954 3.403 -2.403 1.00 0.00 O ATOM 477 CB PHE A 29 1.151 3.833 -0.603 1.00 0.00 C ATOM 478 CG PHE A 29 0.673 4.033 -2.021 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.535 5.305 -2.549 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.364 2.944 -2.820 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.099 5.489 -3.846 1.00 0.00 C ATOM 482 CE2 PHE A 29 -0.072 3.122 -4.118 1.00 0.00 C ATOM 483 CZ PHE A 29 -0.204 4.396 -4.631 1.00 0.00 C ATOM 0 H PHE A 29 3.013 5.636 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 29 2.955 3.649 0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.823 2.854 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.678 4.576 0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.771 6.164 -1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.465 1.945 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.005 6.487 -4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.309 2.265 -4.731 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.544 4.537 -5.646 1.00 0.00 H new ATOM 493 N LEU A 30 3.230 1.695 -1.131 1.00 0.00 N ATOM 494 CA LEU A 30 3.632 0.641 -2.049 1.00 0.00 C ATOM 495 C LEU A 30 2.972 -0.654 -1.599 1.00 0.00 C ATOM 496 O LEU A 30 2.774 -0.870 -0.400 1.00 0.00 O ATOM 497 CB LEU A 30 5.166 0.491 -2.113 1.00 0.00 C ATOM 498 CG LEU A 30 5.840 -0.252 -0.950 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.336 -0.358 -1.188 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.582 0.441 0.373 1.00 0.00 C ATOM 0 H LEU A 30 2.854 1.351 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 30 3.308 0.896 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.418 -0.027 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.602 1.488 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 30 5.408 -1.252 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.800 -0.887 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.519 -0.905 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.764 0.642 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.073 -0.111 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.978 1.456 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.509 0.477 0.562 1.00 0.00 H new ATOM 512 N VAL A 31 2.598 -1.501 -2.538 1.00 0.00 N ATOM 513 CA VAL A 31 1.899 -2.723 -2.184 1.00 0.00 C ATOM 514 C VAL A 31 2.797 -3.939 -2.361 1.00 0.00 C ATOM 515 O VAL A 31 3.361 -4.181 -3.433 1.00 0.00 O ATOM 516 CB VAL A 31 0.580 -2.883 -2.971 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.795 -2.698 -4.452 1.00 0.00 C ATOM 518 CG2 VAL A 31 -0.071 -4.227 -2.683 1.00 0.00 C ATOM 0 H VAL A 31 2.762 -1.370 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 31 1.635 -2.649 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.098 -2.099 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.154 -2.817 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.190 -1.700 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.504 -3.443 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.998 -4.312 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.607 -5.029 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.290 -4.305 -1.618 1.00 0.00 H new ATOM 528 N ARG A 32 2.941 -4.684 -1.280 1.00 0.00 N ATOM 529 CA ARG A 32 3.795 -5.853 -1.250 1.00 0.00 C ATOM 530 C ARG A 32 3.018 -7.064 -0.749 1.00 0.00 C ATOM 531 O ARG A 32 2.226 -6.956 0.183 1.00 0.00 O ATOM 532 CB ARG A 32 4.997 -5.591 -0.334 1.00 0.00 C ATOM 533 CG ARG A 32 4.598 -5.136 1.061 1.00 0.00 C ATOM 534 CD ARG A 32 5.798 -4.982 1.980 1.00 0.00 C ATOM 535 NE ARG A 32 5.394 -4.570 3.325 1.00 0.00 N ATOM 536 CZ ARG A 32 5.440 -5.368 4.393 1.00 0.00 C ATOM 537 NH1 ARG A 32 5.873 -6.616 4.279 1.00 0.00 N ATOM 538 NH2 ARG A 32 5.042 -4.923 5.577 1.00 0.00 N ATOM 0 H ARG A 32 2.467 -4.493 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 32 4.148 -6.058 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.592 -6.501 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.634 -4.832 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.070 -4.185 0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.903 -5.857 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.339 -5.927 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.485 -4.245 1.563 1.00 0.00 H new ATOM 0 HE ARG A 32 5.057 -3.616 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.173 -6.971 3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.906 -7.221 5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.699 -3.967 5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.079 -5.536 6.391 1.00 0.00 H new ATOM 552 N GLU A 33 3.230 -8.203 -1.386 1.00 0.00 N ATOM 553 CA GLU A 33 2.654 -9.456 -0.919 1.00 0.00 C ATOM 554 C GLU A 33 3.289 -9.812 0.419 1.00 0.00 C ATOM 555 O GLU A 33 4.482 -9.578 0.622 1.00 0.00 O ATOM 556 CB GLU A 33 2.904 -10.573 -1.943 1.00 0.00 C ATOM 557 CG GLU A 33 2.378 -11.940 -1.521 1.00 0.00 C ATOM 558 CD GLU A 33 0.864 -12.049 -1.568 1.00 0.00 C ATOM 559 OE1 GLU A 33 0.202 -11.684 -0.576 1.00 0.00 O ATOM 560 OE2 GLU A 33 0.336 -12.518 -2.600 1.00 0.00 O ATOM 0 H GLU A 33 3.797 -8.288 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 33 1.576 -9.345 -0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.439 -10.294 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.976 -10.650 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.809 -12.702 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.718 -12.154 -0.508 1.00 0.00 H new ATOM 567 N SER A 34 2.500 -10.344 1.333 1.00 0.00 N ATOM 568 CA SER A 34 3.014 -10.718 2.638 1.00 0.00 C ATOM 569 C SER A 34 3.899 -11.953 2.516 1.00 0.00 C ATOM 570 O SER A 34 3.500 -12.965 1.944 1.00 0.00 O ATOM 571 CB SER A 34 1.855 -10.974 3.600 1.00 0.00 C ATOM 572 OG SER A 34 1.036 -9.821 3.713 1.00 0.00 O ATOM 0 H SER A 34 1.506 -10.526 1.198 1.00 0.00 H new ATOM 0 HA SER A 34 3.617 -9.901 3.034 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.260 -11.816 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.243 -11.249 4.581 1.00 0.00 H new ATOM 0 HG SER A 34 0.492 -9.726 2.904 1.00 0.00 H new ATOM 578 N GLU A 35 5.110 -11.847 3.054 1.00 0.00 N ATOM 579 CA GLU A 35 6.112 -12.899 2.937 1.00 0.00 C ATOM 580 C GLU A 35 5.614 -14.222 3.518 1.00 0.00 C ATOM 581 O GLU A 35 6.055 -15.292 3.104 1.00 0.00 O ATOM 582 CB GLU A 35 7.418 -12.477 3.635 1.00 0.00 C ATOM 583 CG GLU A 35 7.371 -12.514 5.162 1.00 0.00 C ATOM 584 CD GLU A 35 6.407 -11.513 5.769 1.00 0.00 C ATOM 585 OE1 GLU A 35 5.207 -11.838 5.907 1.00 0.00 O ATOM 586 OE2 GLU A 35 6.846 -10.402 6.123 1.00 0.00 O ATOM 0 H GLU A 35 5.423 -11.032 3.582 1.00 0.00 H new ATOM 0 HA GLU A 35 6.304 -13.050 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.222 -13.129 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.672 -11.466 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.089 -13.517 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.371 -12.324 5.552 1.00 0.00 H new ATOM 593 N THR A 36 4.699 -14.139 4.473 1.00 0.00 N ATOM 594 CA THR A 36 4.172 -15.323 5.133 1.00 0.00 C ATOM 595 C THR A 36 2.664 -15.469 4.920 1.00 0.00 C ATOM 596 O THR A 36 1.974 -16.114 5.712 1.00 0.00 O ATOM 597 CB THR A 36 4.483 -15.295 6.641 1.00 0.00 C ATOM 598 OG1 THR A 36 4.163 -14.009 7.194 1.00 0.00 O ATOM 599 CG2 THR A 36 5.950 -15.606 6.891 1.00 0.00 C ATOM 0 H THR A 36 4.305 -13.260 4.809 1.00 0.00 H new ATOM 0 HA THR A 36 4.664 -16.184 4.682 1.00 0.00 H new ATOM 0 HB THR A 36 3.872 -16.056 7.127 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.699 -13.319 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.150 -15.581 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.183 -16.597 6.501 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.570 -14.863 6.389 1.00 0.00 H new ATOM 607 N THR A 37 2.157 -14.879 3.846 1.00 0.00 N ATOM 608 CA THR A 37 0.740 -14.971 3.525 1.00 0.00 C ATOM 609 C THR A 37 0.545 -15.124 2.019 1.00 0.00 C ATOM 610 O THR A 37 1.212 -14.462 1.226 1.00 0.00 O ATOM 611 CB THR A 37 -0.033 -13.731 4.015 1.00 0.00 C ATOM 612 OG1 THR A 37 0.363 -13.403 5.355 1.00 0.00 O ATOM 613 CG2 THR A 37 -1.531 -13.988 3.984 1.00 0.00 C ATOM 0 H THR A 37 2.706 -14.332 3.183 1.00 0.00 H new ATOM 0 HA THR A 37 0.347 -15.849 4.038 1.00 0.00 H new ATOM 0 HB THR A 37 0.199 -12.899 3.350 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.132 -12.613 5.658 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.060 -13.101 4.333 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.840 -14.216 2.964 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.769 -14.831 4.632 1.00 0.00 H new ATOM 621 N LYS A 38 -0.354 -16.007 1.630 1.00 0.00 N ATOM 622 CA LYS A 38 -0.593 -16.284 0.226 1.00 0.00 C ATOM 623 C LYS A 38 -1.869 -15.596 -0.250 1.00 0.00 C ATOM 624 O LYS A 38 -2.972 -16.126 -0.094 1.00 0.00 O ATOM 625 CB LYS A 38 -0.691 -17.795 0.013 1.00 0.00 C ATOM 626 CG LYS A 38 0.549 -18.543 0.476 1.00 0.00 C ATOM 627 CD LYS A 38 0.343 -20.047 0.453 1.00 0.00 C ATOM 628 CE LYS A 38 0.047 -20.553 -0.947 1.00 0.00 C ATOM 629 NZ LYS A 38 -0.194 -22.017 -0.959 1.00 0.00 N ATOM 0 H LYS A 38 -0.935 -16.548 2.271 1.00 0.00 H new ATOM 0 HA LYS A 38 0.239 -15.892 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.560 -18.176 0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.856 -17.997 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.391 -18.282 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.808 -18.227 1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.235 -20.542 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.480 -20.312 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.827 -20.037 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.883 -20.316 -1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.393 -22.328 -1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.649 -22.511 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.008 -22.240 -0.351 1.00 0.00 H new ATOM 643 N GLY A 39 -1.717 -14.408 -0.819 1.00 0.00 N ATOM 644 CA GLY A 39 -2.863 -13.687 -1.332 1.00 0.00 C ATOM 645 C GLY A 39 -3.417 -12.698 -0.329 1.00 0.00 C ATOM 646 O GLY A 39 -4.615 -12.694 -0.046 1.00 0.00 O ATOM 0 H GLY A 39 -0.822 -13.932 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.579 -13.158 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.643 -14.397 -1.607 1.00 0.00 H new ATOM 650 N ALA A 40 -2.542 -11.871 0.213 1.00 0.00 N ATOM 651 CA ALA A 40 -2.929 -10.829 1.152 1.00 0.00 C ATOM 652 C ALA A 40 -1.846 -9.772 1.181 1.00 0.00 C ATOM 653 O ALA A 40 -0.819 -9.928 1.838 1.00 0.00 O ATOM 654 CB ALA A 40 -3.169 -11.394 2.542 1.00 0.00 C ATOM 0 H ALA A 40 -1.542 -11.901 0.016 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.868 -10.385 0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.456 -10.588 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.967 -12.135 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.256 -11.865 2.906 1.00 0.00 H new ATOM 660 N TYR A 41 -2.080 -8.700 0.459 1.00 0.00 N ATOM 661 CA TYR A 41 -1.048 -7.715 0.217 1.00 0.00 C ATOM 662 C TYR A 41 -1.039 -6.639 1.284 1.00 0.00 C ATOM 663 O TYR A 41 -2.085 -6.179 1.732 1.00 0.00 O ATOM 664 CB TYR A 41 -1.240 -7.095 -1.164 1.00 0.00 C ATOM 665 CG TYR A 41 -1.247 -8.125 -2.269 1.00 0.00 C ATOM 666 CD1 TYR A 41 -0.059 -8.598 -2.803 1.00 0.00 C ATOM 667 CD2 TYR A 41 -2.439 -8.643 -2.762 1.00 0.00 C ATOM 668 CE1 TYR A 41 -0.054 -9.553 -3.795 1.00 0.00 C ATOM 669 CE2 TYR A 41 -2.442 -9.598 -3.760 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.245 -10.052 -4.271 1.00 0.00 C ATOM 671 OH TYR A 41 -1.237 -11.011 -5.255 1.00 0.00 O ATOM 0 H TYR A 41 -2.979 -8.487 0.027 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.083 -8.220 0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.179 -6.542 -1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.443 -6.375 -1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.880 -8.211 -2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.378 -8.293 -2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.882 -9.910 -4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.376 -9.987 -4.138 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.159 -11.258 -5.479 1.00 0.00 H new ATOM 681 N CYS A 42 0.153 -6.250 1.685 1.00 0.00 N ATOM 682 CA CYS A 42 0.326 -5.194 2.658 1.00 0.00 C ATOM 683 C CYS A 42 0.574 -3.872 1.948 1.00 0.00 C ATOM 684 O CYS A 42 1.690 -3.587 1.504 1.00 0.00 O ATOM 685 CB CYS A 42 1.493 -5.509 3.600 1.00 0.00 C ATOM 686 SG CYS A 42 1.222 -6.934 4.681 1.00 0.00 S ATOM 0 H CYS A 42 1.026 -6.656 1.347 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.585 -5.119 3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.387 -5.687 3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.691 -4.633 4.218 1.00 0.00 H new ATOM 0 HG CYS A 42 1.211 -8.022 3.970 1.00 0.00 H new ATOM 692 N LEU A 43 -0.477 -3.083 1.813 1.00 0.00 N ATOM 693 CA LEU A 43 -0.359 -1.745 1.263 1.00 0.00 C ATOM 694 C LEU A 43 0.303 -0.874 2.321 1.00 0.00 C ATOM 695 O LEU A 43 -0.357 -0.340 3.215 1.00 0.00 O ATOM 696 CB LEU A 43 -1.748 -1.208 0.864 1.00 0.00 C ATOM 697 CG LEU A 43 -1.782 0.012 -0.083 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.237 1.259 0.597 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.014 -0.266 -1.370 1.00 0.00 C ATOM 0 H LEU A 43 -1.426 -3.348 2.078 1.00 0.00 H new ATOM 0 HA LEU A 43 0.248 -1.744 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.302 -2.019 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.284 -0.944 1.776 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.826 0.192 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.275 2.098 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.840 1.487 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.204 1.086 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.056 0.611 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.025 -0.492 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.461 -1.117 -1.884 1.00 0.00 H new ATOM 711 N SER A 44 1.616 -0.775 2.237 1.00 0.00 N ATOM 712 CA SER A 44 2.394 -0.081 3.240 1.00 0.00 C ATOM 713 C SER A 44 2.505 1.400 2.887 1.00 0.00 C ATOM 714 O SER A 44 3.304 1.792 2.039 1.00 0.00 O ATOM 715 CB SER A 44 3.780 -0.721 3.347 1.00 0.00 C ATOM 716 OG SER A 44 3.677 -2.133 3.491 1.00 0.00 O ATOM 0 H SER A 44 2.168 -1.171 1.476 1.00 0.00 H new ATOM 0 HA SER A 44 1.896 -0.163 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.364 -0.484 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.314 -0.302 4.200 1.00 0.00 H new ATOM 0 HG SER A 44 3.687 -2.366 4.443 1.00 0.00 H new ATOM 722 N VAL A 45 1.671 2.213 3.513 1.00 0.00 N ATOM 723 CA VAL A 45 1.700 3.648 3.286 1.00 0.00 C ATOM 724 C VAL A 45 2.411 4.357 4.435 1.00 0.00 C ATOM 725 O VAL A 45 2.077 4.170 5.606 1.00 0.00 O ATOM 726 CB VAL A 45 0.270 4.218 3.095 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.621 3.876 4.276 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.298 5.723 2.867 1.00 0.00 C ATOM 0 H VAL A 45 0.966 1.904 4.182 1.00 0.00 H new ATOM 0 HA VAL A 45 2.257 3.830 2.367 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.149 3.749 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.616 4.289 4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.690 2.793 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.197 4.300 5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.720 6.090 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.753 6.213 3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.881 5.945 1.973 1.00 0.00 H new ATOM 738 N SER A 46 3.420 5.141 4.095 1.00 0.00 N ATOM 739 CA SER A 46 4.148 5.907 5.083 1.00 0.00 C ATOM 740 C SER A 46 3.400 7.189 5.393 1.00 0.00 C ATOM 741 O SER A 46 2.984 7.924 4.489 1.00 0.00 O ATOM 742 CB SER A 46 5.563 6.213 4.591 1.00 0.00 C ATOM 743 OG SER A 46 6.299 6.956 5.548 1.00 0.00 O ATOM 0 H SER A 46 3.752 5.262 3.138 1.00 0.00 H new ATOM 0 HA SER A 46 4.229 5.318 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.084 5.280 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.511 6.772 3.657 1.00 0.00 H new ATOM 0 HG SER A 46 7.253 6.751 5.458 1.00 0.00 H new ATOM 749 N ASP A 47 3.218 7.439 6.669 1.00 0.00 N ATOM 750 CA ASP A 47 2.486 8.606 7.117 1.00 0.00 C ATOM 751 C ASP A 47 3.399 9.560 7.852 1.00 0.00 C ATOM 752 O ASP A 47 4.091 9.179 8.796 1.00 0.00 O ATOM 753 CB ASP A 47 1.320 8.195 8.010 1.00 0.00 C ATOM 754 CG ASP A 47 0.571 9.380 8.582 1.00 0.00 C ATOM 755 OD1 ASP A 47 -0.095 10.086 7.806 1.00 0.00 O ATOM 756 OD2 ASP A 47 0.614 9.593 9.812 1.00 0.00 O ATOM 0 H ASP A 47 3.569 6.846 7.422 1.00 0.00 H new ATOM 0 HA ASP A 47 2.089 9.117 6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.629 7.577 7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.694 7.579 8.828 1.00 0.00 H new ATOM 761 N PHE A 48 3.387 10.799 7.411 1.00 0.00 N ATOM 762 CA PHE A 48 4.212 11.829 8.006 1.00 0.00 C ATOM 763 C PHE A 48 3.397 12.615 9.013 1.00 0.00 C ATOM 764 O PHE A 48 2.637 13.517 8.654 1.00 0.00 O ATOM 765 CB PHE A 48 4.760 12.774 6.941 1.00 0.00 C ATOM 766 CG PHE A 48 5.755 13.773 7.470 1.00 0.00 C ATOM 767 CD1 PHE A 48 7.073 13.409 7.694 1.00 0.00 C ATOM 768 CD2 PHE A 48 5.369 15.077 7.742 1.00 0.00 C ATOM 769 CE1 PHE A 48 7.986 14.325 8.177 1.00 0.00 C ATOM 770 CE2 PHE A 48 6.279 15.997 8.227 1.00 0.00 C ATOM 771 CZ PHE A 48 7.590 15.620 8.445 1.00 0.00 C ATOM 0 H PHE A 48 2.809 11.120 6.634 1.00 0.00 H new ATOM 0 HA PHE A 48 5.054 11.349 8.506 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.233 12.186 6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.929 13.310 6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.390 12.397 7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.345 15.377 7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.011 14.028 8.345 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.966 17.009 8.435 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.303 16.337 8.824 1.00 0.00 H new ATOM 781 N ASP A 49 3.536 12.250 10.262 1.00 0.00 N ATOM 782 CA ASP A 49 2.867 12.962 11.331 1.00 0.00 C ATOM 783 C ASP A 49 3.859 13.876 12.028 1.00 0.00 C ATOM 784 O ASP A 49 5.049 13.578 12.108 1.00 0.00 O ATOM 785 CB ASP A 49 2.249 11.989 12.334 1.00 0.00 C ATOM 786 CG ASP A 49 1.331 12.692 13.311 1.00 0.00 C ATOM 787 OD1 ASP A 49 0.134 12.849 12.998 1.00 0.00 O ATOM 788 OD2 ASP A 49 1.807 13.110 14.386 1.00 0.00 O ATOM 0 H ASP A 49 4.107 11.462 10.568 1.00 0.00 H new ATOM 0 HA ASP A 49 2.061 13.559 10.903 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.690 11.222 11.798 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.042 11.481 12.883 1.00 0.00 H new ATOM 793 N ASN A 50 3.361 14.991 12.527 1.00 0.00 N ATOM 794 CA ASN A 50 4.211 16.024 13.099 1.00 0.00 C ATOM 795 C ASN A 50 4.581 15.699 14.538 1.00 0.00 C ATOM 796 O ASN A 50 5.568 16.214 15.060 1.00 0.00 O ATOM 797 CB ASN A 50 3.506 17.378 13.028 1.00 0.00 C ATOM 798 CG ASN A 50 3.275 17.837 11.600 1.00 0.00 C ATOM 799 OD1 ASN A 50 2.271 17.488 10.979 1.00 0.00 O ATOM 800 ND2 ASN A 50 4.184 18.645 11.079 1.00 0.00 N ATOM 0 H ASN A 50 2.365 15.208 12.549 1.00 0.00 H new ATOM 0 HA ASN A 50 5.132 16.067 12.518 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.549 17.313 13.545 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.103 18.123 13.554 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.066 19.002 10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.003 18.911 11.626 1.00 0.00 H new ATOM 807 N ALA A 51 3.796 14.843 15.175 1.00 0.00 N ATOM 808 CA ALA A 51 4.044 14.479 16.562 1.00 0.00 C ATOM 809 C ALA A 51 4.501 13.033 16.672 1.00 0.00 C ATOM 810 O ALA A 51 5.473 12.727 17.362 1.00 0.00 O ATOM 811 CB ALA A 51 2.795 14.706 17.399 1.00 0.00 C ATOM 0 H ALA A 51 2.985 14.389 14.756 1.00 0.00 H new ATOM 0 HA ALA A 51 4.842 15.116 16.943 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.995 14.429 18.434 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.512 15.758 17.353 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.981 14.094 17.011 1.00 0.00 H new ATOM 817 N LYS A 52 3.801 12.150 15.978 1.00 0.00 N ATOM 818 CA LYS A 52 4.099 10.725 16.030 1.00 0.00 C ATOM 819 C LYS A 52 5.198 10.355 15.040 1.00 0.00 C ATOM 820 O LYS A 52 5.788 9.276 15.127 1.00 0.00 O ATOM 821 CB LYS A 52 2.826 9.917 15.768 1.00 0.00 C ATOM 822 CG LYS A 52 1.800 10.064 16.881 1.00 0.00 C ATOM 823 CD LYS A 52 0.450 9.475 16.508 1.00 0.00 C ATOM 824 CE LYS A 52 -0.197 10.243 15.367 1.00 0.00 C ATOM 825 NZ LYS A 52 -1.630 9.892 15.194 1.00 0.00 N ATOM 0 H LYS A 52 3.020 12.395 15.370 1.00 0.00 H new ATOM 0 HA LYS A 52 4.467 10.483 17.027 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.383 10.239 14.826 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.085 8.864 15.655 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.171 9.573 17.780 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.678 11.120 17.122 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.574 8.431 16.221 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.208 9.490 17.377 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.107 11.313 15.555 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.340 10.036 14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.029 10.440 14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.716 8.876 14.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.150 10.114 16.067 1.00 0.00 H new ATOM 839 N GLY A 53 5.469 11.259 14.106 1.00 0.00 N ATOM 840 CA GLY A 53 6.556 11.058 13.166 1.00 0.00 C ATOM 841 C GLY A 53 6.168 10.175 12.000 1.00 0.00 C ATOM 842 O GLY A 53 4.985 10.053 11.666 1.00 0.00 O ATOM 0 H GLY A 53 4.954 12.130 13.983 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.887 12.025 12.789 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.403 10.612 13.687 1.00 0.00 H new ATOM 846 N LEU A 54 7.170 9.559 11.382 1.00 0.00 N ATOM 847 CA LEU A 54 6.952 8.667 10.251 1.00 0.00 C ATOM 848 C LEU A 54 6.433 7.321 10.726 1.00 0.00 C ATOM 849 O LEU A 54 7.175 6.519 11.296 1.00 0.00 O ATOM 850 CB LEU A 54 8.244 8.470 9.453 1.00 0.00 C ATOM 851 CG LEU A 54 8.639 9.635 8.545 1.00 0.00 C ATOM 852 CD1 LEU A 54 10.020 9.404 7.956 1.00 0.00 C ATOM 853 CD2 LEU A 54 7.612 9.802 7.432 1.00 0.00 C ATOM 0 H LEU A 54 8.149 9.663 11.649 1.00 0.00 H new ATOM 0 HA LEU A 54 6.207 9.127 9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.059 8.285 10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.140 7.574 8.841 1.00 0.00 H new ATOM 0 HG LEU A 54 8.665 10.548 9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.286 10.242 7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.750 9.319 8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.017 8.484 7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.902 10.634 6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.565 8.888 6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.633 10.004 7.867 1.00 0.00 H new ATOM 865 N ASN A 55 5.159 7.085 10.498 1.00 0.00 N ATOM 866 CA ASN A 55 4.536 5.839 10.897 1.00 0.00 C ATOM 867 C ASN A 55 3.988 5.122 9.669 1.00 0.00 C ATOM 868 O ASN A 55 3.243 5.698 8.878 1.00 0.00 O ATOM 869 CB ASN A 55 3.428 6.093 11.932 1.00 0.00 C ATOM 870 CG ASN A 55 2.271 6.907 11.379 1.00 0.00 C ATOM 871 OD1 ASN A 55 1.250 6.355 10.968 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.426 8.222 11.348 1.00 0.00 N ATOM 0 H ASN A 55 4.531 7.743 10.036 1.00 0.00 H new ATOM 0 HA ASN A 55 5.285 5.201 11.366 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.051 5.136 12.294 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.853 6.613 12.790 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.684 8.814 10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.287 8.642 11.698 1.00 0.00 H new ATOM 879 N VAL A 56 4.395 3.880 9.485 1.00 0.00 N ATOM 880 CA VAL A 56 3.949 3.110 8.339 1.00 0.00 C ATOM 881 C VAL A 56 2.664 2.370 8.665 1.00 0.00 C ATOM 882 O VAL A 56 2.611 1.566 9.598 1.00 0.00 O ATOM 883 CB VAL A 56 5.021 2.104 7.872 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.536 1.326 6.659 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.323 2.822 7.559 1.00 0.00 C ATOM 0 H VAL A 56 5.030 3.385 10.111 1.00 0.00 H new ATOM 0 HA VAL A 56 3.769 3.814 7.527 1.00 0.00 H new ATOM 0 HB VAL A 56 5.202 1.396 8.681 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.307 0.622 6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.629 0.779 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.324 2.018 5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.068 2.097 7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.155 3.553 6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.681 3.332 8.453 1.00 0.00 H new ATOM 895 N LYS A 57 1.621 2.668 7.910 1.00 0.00 N ATOM 896 CA LYS A 57 0.343 2.008 8.083 1.00 0.00 C ATOM 897 C LYS A 57 0.258 0.820 7.135 1.00 0.00 C ATOM 898 O LYS A 57 0.058 0.983 5.932 1.00 0.00 O ATOM 899 CB LYS A 57 -0.804 2.981 7.814 1.00 0.00 C ATOM 900 CG LYS A 57 -0.687 4.295 8.570 1.00 0.00 C ATOM 901 CD LYS A 57 -1.903 5.174 8.334 1.00 0.00 C ATOM 902 CE LYS A 57 -1.704 6.580 8.878 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.352 6.587 10.323 1.00 0.00 N ATOM 0 H LYS A 57 1.637 3.367 7.168 1.00 0.00 H new ATOM 0 HA LYS A 57 0.258 1.658 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.847 3.191 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.745 2.501 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.580 4.096 9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.213 4.822 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.112 5.225 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.774 4.722 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.915 7.077 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.616 7.157 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.410 7.559 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.016 5.980 10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.384 6.227 10.446 1.00 0.00 H new ATOM 917 N HIS A 58 0.443 -0.368 7.682 1.00 0.00 N ATOM 918 CA HIS A 58 0.420 -1.585 6.886 1.00 0.00 C ATOM 919 C HIS A 58 -1.020 -2.054 6.681 1.00 0.00 C ATOM 920 O HIS A 58 -1.557 -2.808 7.495 1.00 0.00 O ATOM 921 CB HIS A 58 1.241 -2.691 7.567 1.00 0.00 C ATOM 922 CG HIS A 58 2.694 -2.351 7.776 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.664 -2.766 6.893 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.285 -1.660 8.785 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.812 -2.323 7.382 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.632 -1.654 8.522 1.00 0.00 N ATOM 0 H HIS A 58 0.611 -0.518 8.677 1.00 0.00 H new ATOM 0 HA HIS A 58 0.865 -1.370 5.915 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.791 -2.917 8.534 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.176 -3.597 6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.791 -1.204 9.630 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.773 -2.483 6.916 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.359 -1.220 9.091 1.00 0.00 H new ATOM 934 N TYR A 59 -1.649 -1.586 5.608 1.00 0.00 N ATOM 935 CA TYR A 59 -3.015 -1.990 5.286 1.00 0.00 C ATOM 936 C TYR A 59 -3.033 -3.393 4.693 1.00 0.00 C ATOM 937 O TYR A 59 -2.282 -3.694 3.765 1.00 0.00 O ATOM 938 CB TYR A 59 -3.668 -1.013 4.303 1.00 0.00 C ATOM 939 CG TYR A 59 -4.039 0.324 4.905 1.00 0.00 C ATOM 940 CD1 TYR A 59 -3.101 1.338 5.027 1.00 0.00 C ATOM 941 CD2 TYR A 59 -5.335 0.577 5.338 1.00 0.00 C ATOM 942 CE1 TYR A 59 -3.441 2.565 5.559 1.00 0.00 C ATOM 943 CE2 TYR A 59 -5.683 1.802 5.875 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.730 2.793 5.982 1.00 0.00 C ATOM 945 OH TYR A 59 -5.067 4.027 6.499 1.00 0.00 O ATOM 0 H TYR A 59 -1.236 -0.928 4.947 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.585 -1.982 6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.986 -0.846 3.469 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.566 -1.475 3.893 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.086 1.164 4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.083 -0.197 5.253 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.698 3.344 5.643 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.694 1.982 6.209 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.508 4.718 6.086 1.00 0.00 H new ATOM 955 N LYS A 60 -3.888 -4.243 5.228 1.00 0.00 N ATOM 956 CA LYS A 60 -3.987 -5.614 4.756 1.00 0.00 C ATOM 957 C LYS A 60 -5.081 -5.747 3.698 1.00 0.00 C ATOM 958 O LYS A 60 -6.275 -5.645 3.992 1.00 0.00 O ATOM 959 CB LYS A 60 -4.234 -6.563 5.933 1.00 0.00 C ATOM 960 CG LYS A 60 -5.344 -6.108 6.866 1.00 0.00 C ATOM 961 CD LYS A 60 -5.455 -6.997 8.090 1.00 0.00 C ATOM 962 CE LYS A 60 -6.510 -6.477 9.049 1.00 0.00 C ATOM 963 NZ LYS A 60 -7.872 -6.518 8.453 1.00 0.00 N ATOM 0 H LYS A 60 -4.525 -4.010 5.990 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.042 -5.891 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.481 -7.551 5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.311 -6.666 6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.157 -5.081 7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.293 -6.109 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.706 -8.013 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.491 -7.046 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.495 -7.072 9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.269 -5.453 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.578 -6.301 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.938 -5.815 7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.054 -7.467 8.067 1.00 0.00 H new ATOM 977 N ILE A 61 -4.658 -5.958 2.463 1.00 0.00 N ATOM 978 CA ILE A 61 -5.574 -6.130 1.350 1.00 0.00 C ATOM 979 C ILE A 61 -6.020 -7.583 1.274 1.00 0.00 C ATOM 980 O ILE A 61 -5.220 -8.472 0.983 1.00 0.00 O ATOM 981 CB ILE A 61 -4.913 -5.723 0.015 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.443 -4.266 0.074 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.876 -5.929 -1.148 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.723 -3.805 -1.176 1.00 0.00 C ATOM 0 H ILE A 61 -3.673 -6.015 2.205 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.437 -5.485 1.516 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.044 -6.360 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.306 -3.622 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.780 -4.142 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.390 -5.636 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.161 -6.980 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.766 -5.319 -0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.421 -2.764 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.840 -4.423 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.389 -3.895 -2.034 1.00 0.00 H new ATOM 996 N ARG A 62 -7.293 -7.820 1.550 1.00 0.00 N ATOM 997 CA ARG A 62 -7.823 -9.174 1.572 1.00 0.00 C ATOM 998 C ARG A 62 -8.630 -9.449 0.309 1.00 0.00 C ATOM 999 O ARG A 62 -8.995 -8.524 -0.417 1.00 0.00 O ATOM 1000 CB ARG A 62 -8.690 -9.391 2.813 1.00 0.00 C ATOM 1001 CG ARG A 62 -7.976 -9.063 4.116 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.757 -9.553 5.322 1.00 0.00 C ATOM 1003 NE ARG A 62 -8.785 -11.012 5.392 1.00 0.00 N ATOM 1004 CZ ARG A 62 -9.503 -11.708 6.272 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -10.287 -11.085 7.142 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -9.440 -13.033 6.281 1.00 0.00 N ATOM 0 H ARG A 62 -7.977 -7.094 1.762 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.985 -9.871 1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.586 -8.775 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.019 -10.430 2.840 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.986 -9.519 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.830 -7.985 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.309 -9.154 6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.777 -9.171 5.274 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.217 -11.532 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.343 -10.067 7.140 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.834 -11.624 7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.841 -13.520 5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.990 -13.565 6.955 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.898 -10.720 0.052 1.00 0.00 N ATOM 1021 CA LYS A 63 -9.631 -11.125 -1.137 1.00 0.00 C ATOM 1022 C LYS A 63 -10.936 -11.818 -0.771 1.00 0.00 C ATOM 1023 O LYS A 63 -10.972 -12.685 0.102 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.767 -12.049 -2.001 1.00 0.00 C ATOM 1025 CG LYS A 63 -9.558 -12.926 -2.965 1.00 0.00 C ATOM 1026 CD LYS A 63 -8.645 -13.858 -3.746 1.00 0.00 C ATOM 1027 CE LYS A 63 -7.916 -13.119 -4.854 1.00 0.00 C ATOM 1028 NZ LYS A 63 -8.807 -12.837 -6.010 1.00 0.00 N ATOM 0 H LYS A 63 -8.617 -11.493 0.655 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.874 -10.227 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.065 -11.442 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.175 -12.690 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.289 -13.513 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.116 -12.296 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.920 -14.310 -3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.232 -14.671 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.518 -12.182 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.065 -13.713 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.242 -12.471 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.286 -13.713 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.518 -12.129 -5.736 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.999 -11.411 -1.448 1.00 0.00 N ATOM 1043 CA LEU A 64 -13.302 -12.030 -1.308 1.00 0.00 C ATOM 1044 C LEU A 64 -13.430 -13.196 -2.278 1.00 0.00 C ATOM 1045 O LEU A 64 -13.036 -13.095 -3.439 1.00 0.00 O ATOM 1046 CB LEU A 64 -14.394 -11.003 -1.604 1.00 0.00 C ATOM 1047 CG LEU A 64 -14.584 -9.918 -0.548 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.561 -8.871 -1.043 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -15.077 -10.519 0.757 1.00 0.00 C ATOM 0 H LEU A 64 -11.979 -10.638 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.412 -12.397 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -14.167 -10.523 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.339 -11.531 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.620 -9.444 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.688 -8.102 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.176 -8.416 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.523 -9.340 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.206 -9.728 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.031 -11.018 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.348 -11.242 1.123 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.982 -14.297 -1.789 1.00 0.00 N ATOM 1062 CA ASP A 65 -14.202 -15.487 -2.607 1.00 0.00 C ATOM 1063 C ASP A 65 -15.246 -15.218 -3.690 1.00 0.00 C ATOM 1064 O ASP A 65 -15.317 -15.933 -4.690 1.00 0.00 O ATOM 1065 CB ASP A 65 -14.669 -16.656 -1.736 1.00 0.00 C ATOM 1066 CG ASP A 65 -16.047 -16.423 -1.148 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -16.148 -15.810 -0.065 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -17.044 -16.839 -1.774 1.00 0.00 O ATOM 0 H ASP A 65 -14.289 -14.394 -0.821 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.255 -15.744 -3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.681 -17.568 -2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.954 -16.812 -0.928 1.00 0.00 H new ATOM 1073 N SER A 66 -16.056 -14.189 -3.481 1.00 0.00 N ATOM 1074 CA SER A 66 -17.107 -13.834 -4.422 1.00 0.00 C ATOM 1075 C SER A 66 -17.024 -12.353 -4.788 1.00 0.00 C ATOM 1076 O SER A 66 -18.035 -11.650 -4.848 1.00 0.00 O ATOM 1077 CB SER A 66 -18.478 -14.162 -3.826 1.00 0.00 C ATOM 1078 OG SER A 66 -18.569 -15.541 -3.493 1.00 0.00 O ATOM 0 H SER A 66 -16.004 -13.583 -2.662 1.00 0.00 H new ATOM 0 HA SER A 66 -16.971 -14.418 -5.332 1.00 0.00 H new ATOM 0 HB2 SER A 66 -18.646 -13.557 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 66 -19.261 -13.904 -4.539 1.00 0.00 H new ATOM 0 HG SER A 66 -18.034 -15.720 -2.692 1.00 0.00 H new ATOM 1084 N GLY A 67 -15.807 -11.882 -5.018 1.00 0.00 N ATOM 1085 CA GLY A 67 -15.610 -10.502 -5.406 1.00 0.00 C ATOM 1086 C GLY A 67 -14.201 -10.239 -5.889 1.00 0.00 C ATOM 1087 O GLY A 67 -13.859 -10.535 -7.034 1.00 0.00 O ATOM 0 H GLY A 67 -14.952 -12.433 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -16.317 -10.244 -6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.828 -9.853 -4.558 1.00 0.00 H new ATOM 1091 N GLY A 68 -13.381 -9.697 -5.005 1.00 0.00 N ATOM 1092 CA GLY A 68 -12.019 -9.366 -5.360 1.00 0.00 C ATOM 1093 C GLY A 68 -11.234 -8.888 -4.165 1.00 0.00 C ATOM 1094 O GLY A 68 -11.491 -9.315 -3.041 1.00 0.00 O ATOM 0 H GLY A 68 -13.636 -9.479 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.532 -10.241 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.020 -8.593 -6.128 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.293 -7.991 -4.397 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.477 -7.447 -3.325 1.00 0.00 C ATOM 1100 C PHE A 69 -10.153 -6.232 -2.715 1.00 0.00 C ATOM 1101 O PHE A 69 -10.782 -5.439 -3.422 1.00 0.00 O ATOM 1102 CB PHE A 69 -8.091 -7.065 -3.843 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.265 -8.241 -4.275 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.637 -9.043 -3.336 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.115 -8.544 -5.618 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -5.876 -10.127 -3.727 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.353 -9.626 -6.014 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.733 -10.418 -5.069 1.00 0.00 C ATOM 0 H PHE A 69 -10.074 -7.622 -5.322 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.364 -8.214 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.203 -6.382 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.557 -6.524 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.744 -8.818 -2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.598 -7.929 -6.363 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.394 -10.746 -2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.242 -9.852 -7.064 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.137 -11.264 -5.379 1.00 0.00 H new ATOM 1118 N TYR A 70 -10.035 -6.092 -1.407 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.651 -4.977 -0.715 1.00 0.00 C ATOM 1120 C TYR A 70 -9.838 -4.576 0.508 1.00 0.00 C ATOM 1121 O TYR A 70 -9.380 -5.424 1.279 1.00 0.00 O ATOM 1122 CB TYR A 70 -12.091 -5.323 -0.301 1.00 0.00 C ATOM 1123 CG TYR A 70 -12.208 -6.425 0.737 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.978 -7.752 0.402 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -12.559 -6.135 2.050 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -12.090 -8.758 1.342 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.673 -7.136 2.999 1.00 0.00 C ATOM 1128 CZ TYR A 70 -12.439 -8.446 2.638 1.00 0.00 C ATOM 1129 OH TYR A 70 -12.553 -9.450 3.574 1.00 0.00 O ATOM 0 H TYR A 70 -9.520 -6.735 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.677 -4.132 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.568 -4.424 0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.648 -5.620 -1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.706 -8.003 -0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.746 -5.110 2.335 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.905 -9.785 1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.944 -6.893 4.016 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.805 -9.064 4.439 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.631 -3.277 0.650 1.00 0.00 N ATOM 1140 CA ILE A 71 -9.064 -2.723 1.867 1.00 0.00 C ATOM 1141 C ILE A 71 -10.200 -2.438 2.843 1.00 0.00 C ATOM 1142 O ILE A 71 -10.028 -2.455 4.062 1.00 0.00 O ATOM 1143 CB ILE A 71 -8.258 -1.432 1.579 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -7.061 -1.751 0.671 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.792 -0.773 2.875 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -6.223 -0.543 0.312 1.00 0.00 C ATOM 0 H ILE A 71 -9.849 -2.584 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 71 -8.370 -3.444 2.300 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.911 -0.726 1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.427 -2.486 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.426 -2.213 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.229 0.131 2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.658 -0.514 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.155 -1.465 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.398 -0.850 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.841 0.185 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.826 -0.092 1.222 1.00 0.00 H new ATOM 1158 N THR A 72 -11.373 -2.201 2.276 1.00 0.00 N ATOM 1159 CA THR A 72 -12.586 -2.009 3.041 1.00 0.00 C ATOM 1160 C THR A 72 -13.764 -2.573 2.251 1.00 0.00 C ATOM 1161 O THR A 72 -13.718 -2.641 1.017 1.00 0.00 O ATOM 1162 CB THR A 72 -12.818 -0.516 3.366 1.00 0.00 C ATOM 1163 OG1 THR A 72 -13.976 -0.358 4.193 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.976 0.300 2.092 1.00 0.00 C ATOM 0 H THR A 72 -11.506 -2.137 1.267 1.00 0.00 H new ATOM 0 HA THR A 72 -12.491 -2.536 3.991 1.00 0.00 H new ATOM 0 HB THR A 72 -11.944 -0.150 3.905 1.00 0.00 H new ATOM 0 HG1 THR A 72 -14.109 0.592 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.138 1.347 2.348 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.073 0.210 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.830 -0.071 1.526 1.00 0.00 H new ATOM 1172 N SER A 73 -14.805 -2.992 2.953 1.00 0.00 N ATOM 1173 CA SER A 73 -15.935 -3.661 2.322 1.00 0.00 C ATOM 1174 C SER A 73 -16.917 -2.658 1.714 1.00 0.00 C ATOM 1175 O SER A 73 -18.102 -2.660 2.037 1.00 0.00 O ATOM 1176 CB SER A 73 -16.652 -4.537 3.347 1.00 0.00 C ATOM 1177 OG SER A 73 -15.739 -5.401 4.009 1.00 0.00 O ATOM 0 H SER A 73 -14.892 -2.881 3.963 1.00 0.00 H new ATOM 0 HA SER A 73 -15.550 -4.281 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.157 -3.907 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.422 -5.128 2.850 1.00 0.00 H new ATOM 0 HG SER A 73 -16.222 -5.950 4.661 1.00 0.00 H new ATOM 1183 N ARG A 74 -16.418 -1.806 0.830 1.00 0.00 N ATOM 1184 CA ARG A 74 -17.256 -0.812 0.172 1.00 0.00 C ATOM 1185 C ARG A 74 -17.043 -0.838 -1.334 1.00 0.00 C ATOM 1186 O ARG A 74 -17.992 -0.985 -2.107 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.967 0.582 0.728 1.00 0.00 C ATOM 1188 CG ARG A 74 -17.349 0.731 2.188 1.00 0.00 C ATOM 1189 CD ARG A 74 -17.093 2.136 2.708 1.00 0.00 C ATOM 1190 NE ARG A 74 -17.609 2.312 4.064 1.00 0.00 N ATOM 1191 CZ ARG A 74 -17.231 3.288 4.887 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -16.326 4.182 4.502 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -17.774 3.383 6.091 1.00 0.00 N ATOM 0 H ARG A 74 -15.437 -1.782 0.551 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.299 -1.057 0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.905 0.800 0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.510 1.321 0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.404 0.486 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.783 0.016 2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.022 2.339 2.697 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.562 2.861 2.043 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.303 1.645 4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.916 4.123 3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -16.042 4.927 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -18.480 2.709 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -17.486 4.130 6.723 1.00 0.00 H new ATOM 1207 N THR A 75 -15.794 -0.696 -1.744 1.00 0.00 N ATOM 1208 CA THR A 75 -15.454 -0.723 -3.155 1.00 0.00 C ATOM 1209 C THR A 75 -14.438 -1.834 -3.435 1.00 0.00 C ATOM 1210 O THR A 75 -13.267 -1.724 -3.072 1.00 0.00 O ATOM 1211 CB THR A 75 -14.887 0.638 -3.605 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.658 1.703 -3.024 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.926 0.761 -5.119 1.00 0.00 C ATOM 0 H THR A 75 -14.999 -0.561 -1.119 1.00 0.00 H new ATOM 0 HA THR A 75 -16.363 -0.924 -3.722 1.00 0.00 H new ATOM 0 HB THR A 75 -13.852 0.706 -3.271 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.163 2.093 -2.273 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.522 1.729 -5.416 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.328 -0.034 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.956 0.677 -5.464 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.897 -2.909 -4.068 1.00 0.00 N ATOM 1222 CA GLN A 76 -14.046 -4.068 -4.324 1.00 0.00 C ATOM 1223 C GLN A 76 -13.524 -4.046 -5.756 1.00 0.00 C ATOM 1224 O GLN A 76 -14.213 -3.592 -6.670 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.805 -5.381 -4.085 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.374 -5.541 -2.680 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.714 -4.853 -2.500 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -17.492 -4.723 -3.444 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -16.997 -4.421 -1.282 1.00 0.00 N ATOM 0 H GLN A 76 -15.852 -3.003 -4.413 1.00 0.00 H new ATOM 0 HA GLN A 76 -13.208 -4.014 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.622 -5.448 -4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.133 -6.215 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -15.484 -6.602 -2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -14.664 -5.136 -1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.324 -4.549 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.888 -3.960 -1.099 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.309 -4.539 -5.945 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.712 -4.608 -7.273 1.00 0.00 C ATOM 1240 C PHE A 77 -11.010 -5.945 -7.482 1.00 0.00 C ATOM 1241 O PHE A 77 -10.299 -6.431 -6.604 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.713 -3.468 -7.469 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.343 -2.105 -7.475 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.140 -1.704 -8.534 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.134 -1.224 -6.427 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.716 -0.449 -8.549 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.708 0.031 -6.436 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.499 0.419 -7.499 1.00 0.00 C ATOM 0 H PHE A 77 -11.716 -4.897 -5.196 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.512 -4.513 -8.007 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.967 -3.510 -6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.185 -3.618 -8.411 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.313 -2.381 -9.358 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.515 -1.522 -5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.335 -0.148 -9.381 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.539 0.709 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.948 1.401 -7.508 1.00 0.00 H new ATOM 1258 N SER A 78 -11.218 -6.536 -8.651 1.00 0.00 N ATOM 1259 CA SER A 78 -10.611 -7.815 -8.982 1.00 0.00 C ATOM 1260 C SER A 78 -9.148 -7.641 -9.386 1.00 0.00 C ATOM 1261 O SER A 78 -8.330 -8.550 -9.216 1.00 0.00 O ATOM 1262 CB SER A 78 -11.413 -8.479 -10.102 1.00 0.00 C ATOM 1263 OG SER A 78 -11.824 -7.519 -11.064 1.00 0.00 O ATOM 0 H SER A 78 -11.806 -6.147 -9.388 1.00 0.00 H new ATOM 0 HA SER A 78 -10.629 -8.456 -8.101 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.807 -9.247 -10.583 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.287 -8.978 -9.683 1.00 0.00 H new ATOM 0 HG SER A 78 -12.334 -7.964 -11.773 1.00 0.00 H new ATOM 1269 N SER A 79 -8.822 -6.468 -9.907 1.00 0.00 N ATOM 1270 CA SER A 79 -7.458 -6.152 -10.282 1.00 0.00 C ATOM 1271 C SER A 79 -6.894 -5.100 -9.334 1.00 0.00 C ATOM 1272 O SER A 79 -7.568 -4.121 -9.005 1.00 0.00 O ATOM 1273 CB SER A 79 -7.424 -5.634 -11.721 1.00 0.00 C ATOM 1274 OG SER A 79 -8.239 -6.431 -12.567 1.00 0.00 O ATOM 0 H SER A 79 -9.490 -5.717 -10.079 1.00 0.00 H new ATOM 0 HA SER A 79 -6.848 -7.053 -10.215 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.768 -4.600 -11.747 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.398 -5.638 -12.089 1.00 0.00 H new ATOM 0 HG SER A 79 -9.154 -6.081 -12.563 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.658 -5.313 -8.894 1.00 0.00 N ATOM 1281 CA LEU A 80 -5.008 -4.405 -7.960 1.00 0.00 C ATOM 1282 C LEU A 80 -4.768 -3.040 -8.597 1.00 0.00 C ATOM 1283 O LEU A 80 -4.696 -2.033 -7.897 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.685 -4.995 -7.465 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.809 -6.237 -6.581 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.430 -6.799 -6.264 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.554 -5.902 -5.297 1.00 0.00 C ATOM 0 H LEU A 80 -5.086 -6.110 -9.172 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.674 -4.273 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.072 -5.246 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.150 -4.226 -6.908 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.377 -6.994 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.533 -7.683 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.926 -7.071 -7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.842 -6.046 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.634 -6.796 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.010 -5.131 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.552 -5.538 -5.540 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.643 -3.016 -9.924 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.520 -1.763 -10.670 1.00 0.00 C ATOM 1301 C GLN A 81 -5.721 -0.860 -10.393 1.00 0.00 C ATOM 1302 O GLN A 81 -5.582 0.347 -10.212 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.422 -2.049 -12.177 1.00 0.00 C ATOM 1304 CG GLN A 81 -4.314 -0.798 -13.044 1.00 0.00 C ATOM 1305 CD GLN A 81 -2.968 -0.102 -12.924 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -1.941 -0.741 -12.699 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -2.963 1.213 -13.080 1.00 0.00 N ATOM 0 H GLN A 81 -4.624 -3.853 -10.506 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.612 -1.255 -10.344 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.553 -2.681 -12.360 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.300 -2.617 -12.486 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.484 -1.070 -14.086 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.103 -0.100 -12.764 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.835 1.708 -13.265 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.087 1.731 -13.015 1.00 0.00 H new ATOM 1316 N GLN A 82 -6.899 -1.472 -10.339 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.137 -0.749 -10.090 1.00 0.00 C ATOM 1318 C GLN A 82 -8.184 -0.277 -8.640 1.00 0.00 C ATOM 1319 O GLN A 82 -8.667 0.818 -8.338 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.335 -1.657 -10.372 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.303 -2.317 -11.740 1.00 0.00 C ATOM 1322 CD GLN A 82 -10.442 -3.296 -11.934 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -10.325 -4.480 -11.615 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -11.553 -2.814 -12.458 1.00 0.00 N ATOM 0 H GLN A 82 -7.021 -2.477 -10.466 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.178 0.118 -10.750 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.378 -2.432 -9.607 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.250 -1.071 -10.284 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.352 -1.549 -12.512 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.354 -2.838 -11.867 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.612 -1.827 -12.710 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.353 -3.428 -12.611 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.656 -1.121 -7.762 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.641 -0.867 -6.326 1.00 0.00 C ATOM 1335 C LEU A 83 -6.916 0.444 -6.016 1.00 0.00 C ATOM 1336 O LEU A 83 -7.510 1.378 -5.480 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.979 -2.069 -5.618 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.921 -2.038 -4.079 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.793 -1.136 -3.589 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.260 -1.599 -3.498 1.00 0.00 C ATOM 0 H LEU A 83 -7.224 -2.006 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.661 -0.758 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.511 -2.972 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.959 -2.161 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.713 -3.049 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.776 -1.134 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.840 -1.508 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.955 -0.121 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.197 -1.584 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.504 -0.601 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.037 -2.298 -3.807 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.640 0.510 -6.377 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.815 1.677 -6.075 1.00 0.00 C ATOM 1354 C VAL A 84 -5.311 2.929 -6.788 1.00 0.00 C ATOM 1355 O VAL A 84 -5.353 4.006 -6.201 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.337 1.441 -6.437 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.609 0.745 -5.295 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.213 0.620 -7.707 1.00 0.00 C ATOM 0 H VAL A 84 -5.152 -0.231 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.897 1.831 -4.999 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.876 2.414 -6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.566 0.587 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.658 1.366 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.081 -0.217 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.159 0.468 -7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.696 -0.346 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.694 1.148 -8.530 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.680 2.777 -8.051 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.154 3.896 -8.861 1.00 0.00 C ATOM 1370 C ALA A 85 -7.345 4.609 -8.220 1.00 0.00 C ATOM 1371 O ALA A 85 -7.338 5.832 -8.076 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.517 3.421 -10.261 1.00 0.00 C ATOM 0 H ALA A 85 -5.661 1.884 -8.543 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.338 4.616 -8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.868 4.266 -10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.638 2.986 -10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.305 2.670 -10.198 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.357 3.848 -7.825 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.568 4.436 -7.264 1.00 0.00 C ATOM 1380 C TYR A 86 -9.317 4.966 -5.855 1.00 0.00 C ATOM 1381 O TYR A 86 -9.786 6.050 -5.494 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.700 3.408 -7.247 1.00 0.00 C ATOM 1383 CG TYR A 86 -12.048 3.995 -6.890 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.805 4.661 -7.845 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.561 3.887 -5.604 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -14.035 5.204 -7.529 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.792 4.424 -5.280 1.00 0.00 C ATOM 1388 CZ TYR A 86 -14.524 5.083 -6.247 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.753 5.623 -5.930 1.00 0.00 O ATOM 0 H TYR A 86 -8.365 2.830 -7.882 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.861 5.274 -7.897 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.767 2.937 -8.228 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.455 2.622 -6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.426 4.756 -8.852 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.988 3.375 -4.845 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.610 5.721 -8.283 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.179 4.329 -4.276 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.953 5.450 -4.986 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.554 4.210 -5.072 1.00 0.00 N ATOM 1400 CA TYR A 87 -8.255 4.584 -3.692 1.00 0.00 C ATOM 1401 C TYR A 87 -7.216 5.703 -3.632 1.00 0.00 C ATOM 1402 O TYR A 87 -6.842 6.170 -2.554 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.774 3.364 -2.899 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.879 2.403 -2.490 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -10.082 2.326 -3.188 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.713 1.571 -1.393 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -11.081 1.447 -2.800 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.703 0.692 -0.999 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.883 0.632 -1.704 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.870 -0.247 -1.305 1.00 0.00 O ATOM 0 H TYR A 87 -8.130 3.332 -5.370 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.174 4.957 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.042 2.822 -3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -7.259 3.709 -2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -10.239 2.962 -4.046 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.789 1.611 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -12.008 1.400 -3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.551 0.054 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 87 -12.190 -0.753 -2.081 1.00 0.00 H new ATOM 1420 N SER A 88 -6.746 6.126 -4.798 1.00 0.00 N ATOM 1421 CA SER A 88 -5.844 7.258 -4.894 1.00 0.00 C ATOM 1422 C SER A 88 -6.623 8.557 -4.700 1.00 0.00 C ATOM 1423 O SER A 88 -6.110 9.531 -4.149 1.00 0.00 O ATOM 1424 CB SER A 88 -5.135 7.252 -6.254 1.00 0.00 C ATOM 1425 OG SER A 88 -4.134 8.255 -6.323 1.00 0.00 O ATOM 0 H SER A 88 -6.978 5.697 -5.694 1.00 0.00 H new ATOM 0 HA SER A 88 -5.089 7.183 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.685 6.275 -6.426 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.866 7.411 -7.047 1.00 0.00 H new ATOM 0 HG SER A 88 -3.620 8.263 -5.488 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.874 8.553 -5.147 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.738 9.718 -5.013 1.00 0.00 C ATOM 1433 C LYS A 89 -9.771 9.496 -3.917 1.00 0.00 C ATOM 1434 O LYS A 89 -10.043 10.390 -3.118 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.421 10.036 -6.349 1.00 0.00 C ATOM 1436 CG LYS A 89 -8.822 11.242 -7.065 1.00 0.00 C ATOM 1437 CD LYS A 89 -7.305 11.160 -7.138 1.00 0.00 C ATOM 1438 CE LYS A 89 -6.703 12.414 -7.755 1.00 0.00 C ATOM 1439 NZ LYS A 89 -5.229 12.463 -7.571 1.00 0.00 N ATOM 0 H LYS A 89 -8.312 7.754 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.123 10.573 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.351 9.165 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.481 10.218 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.231 11.306 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.112 12.155 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.900 11.017 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.015 10.290 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.938 12.445 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.156 13.296 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.854 13.331 -8.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.006 12.458 -6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.795 11.634 -8.025 1.00 0.00 H new ATOM 1453 N HIS A 90 -10.340 8.298 -3.878 1.00 0.00 N ATOM 1454 CA HIS A 90 -11.292 7.942 -2.842 1.00 0.00 C ATOM 1455 C HIS A 90 -10.600 7.088 -1.789 1.00 0.00 C ATOM 1456 O HIS A 90 -10.393 5.897 -1.997 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.468 7.171 -3.448 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.675 7.125 -2.566 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.245 5.957 -2.101 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -14.430 8.128 -2.077 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -15.305 6.252 -1.371 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -15.439 7.564 -1.339 1.00 0.00 N ATOM 0 H HIS A 90 -10.156 7.557 -4.555 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.672 8.852 -2.378 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.741 7.630 -4.398 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.149 6.152 -3.666 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -13.902 5.015 -2.291 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -14.270 9.184 -2.237 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.953 5.539 -0.882 1.00 0.00 H new ATOM 1471 N ALA A 91 -10.235 7.710 -0.670 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.546 7.009 0.409 1.00 0.00 C ATOM 1473 C ALA A 91 -10.385 5.845 0.914 1.00 0.00 C ATOM 1474 O ALA A 91 -9.855 4.795 1.270 1.00 0.00 O ATOM 1475 CB ALA A 91 -9.219 7.963 1.547 1.00 0.00 C ATOM 0 H ALA A 91 -10.405 8.699 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.610 6.613 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.706 7.420 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.575 8.762 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.141 8.392 1.939 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.697 6.066 0.941 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.680 5.030 1.245 1.00 0.00 C ATOM 1483 C ASP A 92 -12.518 4.503 2.669 1.00 0.00 C ATOM 1484 O ASP A 92 -13.156 4.998 3.599 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.585 3.876 0.235 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.940 3.289 -0.094 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -14.672 2.911 0.841 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -14.290 3.239 -1.294 1.00 0.00 O ATOM 0 H ASP A 92 -12.111 6.978 0.751 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.668 5.484 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.115 4.235 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.941 3.095 0.639 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.643 3.520 2.837 1.00 0.00 N ATOM 1494 CA GLY A 93 -11.416 2.937 4.143 1.00 0.00 C ATOM 1495 C GLY A 93 -10.123 3.418 4.769 1.00 0.00 C ATOM 1496 O GLY A 93 -9.993 3.452 5.994 1.00 0.00 O ATOM 0 H GLY A 93 -11.084 3.115 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.250 3.186 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.393 1.851 4.055 1.00 0.00 H new ATOM 1500 N LEU A 94 -9.160 3.784 3.931 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.885 4.294 4.407 1.00 0.00 C ATOM 1502 C LEU A 94 -8.056 5.679 5.007 1.00 0.00 C ATOM 1503 O LEU A 94 -8.886 6.469 4.550 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.863 4.358 3.266 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.558 3.024 2.584 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.508 2.773 1.431 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -5.115 2.983 2.107 1.00 0.00 C ATOM 0 H LEU A 94 -9.241 3.736 2.915 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.519 3.611 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.228 5.057 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.932 4.768 3.657 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.701 2.231 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.269 1.818 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.533 2.749 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.407 3.572 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.918 2.026 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.944 3.790 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.446 3.104 2.959 1.00 0.00 H new ATOM 1519 N CYS A 95 -7.272 5.962 6.041 1.00 0.00 N ATOM 1520 CA CYS A 95 -7.279 7.273 6.672 1.00 0.00 C ATOM 1521 C CYS A 95 -6.688 8.316 5.731 1.00 0.00 C ATOM 1522 O CYS A 95 -6.987 9.504 5.838 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.491 7.238 7.985 1.00 0.00 C ATOM 1524 SG CYS A 95 -6.377 8.836 8.824 1.00 0.00 S ATOM 0 H CYS A 95 -6.622 5.297 6.460 1.00 0.00 H new ATOM 0 HA CYS A 95 -8.311 7.546 6.893 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.959 6.520 8.658 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.484 6.874 7.782 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.617 9.790 7.974 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.851 7.861 4.808 1.00 0.00 N ATOM 1531 CA HIS A 96 -5.238 8.742 3.834 1.00 0.00 C ATOM 1532 C HIS A 96 -5.289 8.096 2.453 1.00 0.00 C ATOM 1533 O HIS A 96 -5.034 6.900 2.313 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.792 9.042 4.238 1.00 0.00 C ATOM 1535 CG HIS A 96 -3.145 10.103 3.409 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -3.487 11.425 3.547 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -2.198 9.989 2.452 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.743 12.084 2.675 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -1.946 11.255 1.989 1.00 0.00 N ATOM 0 H HIS A 96 -5.583 6.881 4.717 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.788 9.683 3.800 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.772 9.348 5.284 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -3.206 8.126 4.163 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.729 9.076 2.116 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.774 13.154 2.534 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.280 11.515 1.262 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.636 8.893 1.452 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.731 8.418 0.074 1.00 0.00 C ATOM 1549 C ARG A 97 -4.345 8.173 -0.507 1.00 0.00 C ATOM 1550 O ARG A 97 -3.393 8.892 -0.196 1.00 0.00 O ATOM 1551 CB ARG A 97 -6.495 9.422 -0.804 1.00 0.00 C ATOM 1552 CG ARG A 97 -6.132 10.876 -0.541 1.00 0.00 C ATOM 1553 CD ARG A 97 -7.048 11.485 0.504 1.00 0.00 C ATOM 1554 NE ARG A 97 -6.348 12.405 1.396 1.00 0.00 N ATOM 1555 CZ ARG A 97 -6.731 12.647 2.650 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -7.828 12.068 3.131 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -6.031 13.474 3.414 1.00 0.00 N ATOM 0 H ARG A 97 -5.859 9.882 1.568 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.281 7.477 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.301 9.194 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.565 9.290 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.097 10.941 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.203 11.445 -1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.860 12.015 0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.502 10.688 1.093 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.523 12.888 1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.374 11.440 2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.123 12.252 4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.196 13.928 3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.327 13.657 4.373 1.00 0.00 H new ATOM 1571 N LEU A 98 -4.245 7.155 -1.351 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.978 6.773 -1.959 1.00 0.00 C ATOM 1573 C LEU A 98 -2.448 7.902 -2.838 1.00 0.00 C ATOM 1574 O LEU A 98 -2.917 8.107 -3.954 1.00 0.00 O ATOM 1575 CB LEU A 98 -3.158 5.491 -2.774 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.699 4.295 -1.982 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.836 3.073 -2.872 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.792 3.987 -0.799 1.00 0.00 C ATOM 0 H LEU A 98 -5.035 6.574 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.248 6.586 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.836 5.696 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.197 5.216 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.688 4.557 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.222 2.238 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.524 3.293 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.861 2.810 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.190 3.135 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.791 3.750 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.744 4.855 -0.142 1.00 0.00 H new ATOM 1590 N THR A 99 -1.466 8.629 -2.324 1.00 0.00 N ATOM 1591 CA THR A 99 -0.982 9.830 -2.983 1.00 0.00 C ATOM 1592 C THR A 99 0.114 9.518 -4.000 1.00 0.00 C ATOM 1593 O THR A 99 -0.085 9.669 -5.207 1.00 0.00 O ATOM 1594 CB THR A 99 -0.457 10.836 -1.945 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.419 10.983 -0.891 1.00 0.00 O ATOM 1596 CG2 THR A 99 -0.189 12.191 -2.583 1.00 0.00 C ATOM 0 H THR A 99 -0.989 8.406 -1.450 1.00 0.00 H new ATOM 0 HA THR A 99 -1.824 10.267 -3.520 1.00 0.00 H new ATOM 0 HB THR A 99 0.481 10.456 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.590 11.935 -0.734 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.181 12.883 -1.826 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.557 12.081 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.113 12.581 -3.010 1.00 0.00 H new ATOM 1604 N ASN A 100 1.259 9.071 -3.511 1.00 0.00 N ATOM 1605 CA ASN A 100 2.416 8.831 -4.363 1.00 0.00 C ATOM 1606 C ASN A 100 3.069 7.508 -3.998 1.00 0.00 C ATOM 1607 O ASN A 100 3.093 7.121 -2.832 1.00 0.00 O ATOM 1608 CB ASN A 100 3.419 9.984 -4.234 1.00 0.00 C ATOM 1609 CG ASN A 100 3.946 10.157 -2.822 1.00 0.00 C ATOM 1610 OD1 ASN A 100 3.323 10.821 -1.993 1.00 0.00 O ATOM 1611 ND2 ASN A 100 5.106 9.588 -2.543 1.00 0.00 N ATOM 0 H ASN A 100 1.414 8.866 -2.524 1.00 0.00 H new ATOM 0 HA ASN A 100 2.086 8.778 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.256 9.807 -4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.942 10.910 -4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.515 9.692 -1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.593 9.045 -3.257 1.00 0.00 H new ATOM 1618 N VAL A 101 3.581 6.807 -4.994 1.00 0.00 N ATOM 1619 CA VAL A 101 4.165 5.497 -4.768 1.00 0.00 C ATOM 1620 C VAL A 101 5.653 5.630 -4.458 1.00 0.00 C ATOM 1621 O VAL A 101 6.331 6.508 -4.995 1.00 0.00 O ATOM 1622 CB VAL A 101 3.979 4.572 -5.989 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.054 3.118 -5.564 1.00 0.00 C ATOM 1624 CG2 VAL A 101 2.663 4.849 -6.694 1.00 0.00 C ATOM 0 H VAL A 101 3.604 7.122 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 101 3.648 5.051 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 101 4.786 4.777 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.921 2.477 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.026 2.920 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.268 2.910 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.561 4.182 -7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.837 4.681 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.644 5.884 -7.037 1.00 0.00 H new ATOM 1634 N CYS A 102 6.143 4.760 -3.585 1.00 0.00 N ATOM 1635 CA CYS A 102 7.536 4.784 -3.159 1.00 0.00 C ATOM 1636 C CYS A 102 8.460 4.270 -4.260 1.00 0.00 C ATOM 1637 O CYS A 102 8.185 3.245 -4.879 1.00 0.00 O ATOM 1638 CB CYS A 102 7.710 3.931 -1.898 1.00 0.00 C ATOM 1639 SG CYS A 102 9.395 3.893 -1.253 1.00 0.00 S ATOM 0 H CYS A 102 5.589 4.020 -3.154 1.00 0.00 H new ATOM 0 HA CYS A 102 7.806 5.818 -2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.045 4.311 -1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.394 2.911 -2.117 1.00 0.00 H new ATOM 0 HG CYS A 102 10.234 3.767 -2.238 1.00 0.00 H new ATOM 1645 N PRO A 103 9.556 4.997 -4.532 1.00 0.00 N ATOM 1646 CA PRO A 103 10.594 4.555 -5.457 1.00 0.00 C ATOM 1647 C PRO A 103 11.658 3.712 -4.752 1.00 0.00 C ATOM 1648 O PRO A 103 11.655 3.589 -3.525 1.00 0.00 O ATOM 1649 CB PRO A 103 11.188 5.876 -5.939 1.00 0.00 C ATOM 1650 CG PRO A 103 11.038 6.809 -4.783 1.00 0.00 C ATOM 1651 CD PRO A 103 9.857 6.326 -3.973 1.00 0.00 C ATOM 0 HA PRO A 103 10.211 3.921 -6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.235 5.760 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.662 6.248 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.943 6.819 -4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.876 7.829 -5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.099 6.266 -2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.006 7.000 -4.068 1.00 0.00 H new ATOM 1659 N THR A 104 12.569 3.142 -5.526 1.00 0.00 N ATOM 1660 CA THR A 104 13.631 2.319 -4.969 1.00 0.00 C ATOM 1661 C THR A 104 14.943 3.100 -4.883 1.00 0.00 C ATOM 1662 O THR A 104 15.484 3.549 -5.896 1.00 0.00 O ATOM 1663 CB THR A 104 13.835 1.029 -5.794 1.00 0.00 C ATOM 1664 OG1 THR A 104 13.866 1.326 -7.200 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.724 0.026 -5.513 1.00 0.00 C ATOM 0 H THR A 104 12.594 3.234 -6.542 1.00 0.00 H new ATOM 0 HA THR A 104 13.327 2.036 -3.961 1.00 0.00 H new ATOM 0 HB THR A 104 14.790 0.594 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 104 14.385 2.143 -7.350 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.888 -0.874 -6.105 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.725 -0.231 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.762 0.464 -5.779 1.00 0.00 H new