USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.591 K(o=1.5,f=-3.8) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 177:sc= 0.87 (180deg=-0.0973) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 1.05 K(o=0.9,f=-5.1!) USER MOD Set 2.2: A 6 SER OG : rot -150:sc= -0.151 USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.0393 (180deg=-0.221) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0632 USER MOD Single : A 11 THR OG1 : rot -76:sc= 0.216 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 139:sc= -0.904 (180deg=-2.78!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0903 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= 1.23 (180deg=0.691) USER MOD Single : A 44 THR OG1 : rot -81:sc= 0.989 USER MOD Single : A 46 HIS : no HD1:sc= -0.704 K(o=-0.7,f=-4.7) USER MOD Single : A 50 SER OG : rot -88:sc= 1.18 USER MOD Single : A 54 TYR OH : rot 1:sc= 1.07 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.978 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= 1.15 (180deg=1.13) USER MOD Single : A 81 SER OG : rot 41:sc= -0.0845 USER MOD Single : A 84 LYS NZ :NH3+ -139:sc= 1.25 (180deg=0.942) USER MOD Single : A 85 GLN : amide:sc= -1.92! C(o=-1.9!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 13.447 9.212 -8.564 1.00 0.00 N ATOM 2 CA GLU A 2 13.305 10.520 -7.948 1.00 0.00 C ATOM 3 C GLU A 2 12.704 10.316 -6.586 1.00 0.00 C ATOM 4 O GLU A 2 12.232 9.222 -6.285 1.00 0.00 O ATOM 5 CB GLU A 2 12.392 11.466 -8.795 1.00 0.00 C ATOM 6 CG GLU A 2 10.894 11.086 -8.864 1.00 0.00 C ATOM 7 CD GLU A 2 10.625 9.775 -9.561 1.00 0.00 C ATOM 8 OE1 GLU A 2 10.811 8.714 -8.939 1.00 0.00 O ATOM 9 OE2 GLU A 2 10.271 9.780 -10.749 1.00 0.00 O ATOM 0 HA GLU A 2 14.283 10.996 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.472 12.474 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.784 11.501 -9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.495 11.035 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.352 11.878 -9.381 1.00 0.00 H new ATOM 16 N LEU A 3 12.725 11.321 -5.763 1.00 0.00 N ATOM 17 CA LEU A 3 12.101 11.216 -4.484 1.00 0.00 C ATOM 18 C LEU A 3 10.879 12.099 -4.410 1.00 0.00 C ATOM 19 O LEU A 3 10.967 13.330 -4.536 1.00 0.00 O ATOM 20 CB LEU A 3 13.077 11.485 -3.335 1.00 0.00 C ATOM 21 CG LEU A 3 14.180 10.431 -3.127 1.00 0.00 C ATOM 22 CD1 LEU A 3 15.102 10.837 -1.993 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.572 9.059 -2.840 1.00 0.00 C ATOM 0 H LEU A 3 13.167 12.220 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 3 11.773 10.183 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.552 12.451 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.505 11.571 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 3 14.762 10.369 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.874 10.079 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.569 11.793 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.527 10.931 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.370 8.330 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.963 9.113 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.949 8.754 -3.681 1.00 0.00 H new ATOM 35 N LYS A 4 9.747 11.445 -4.284 1.00 0.00 N ATOM 36 CA LYS A 4 8.431 12.066 -4.111 1.00 0.00 C ATOM 37 C LYS A 4 8.376 12.947 -2.856 1.00 0.00 C ATOM 38 O LYS A 4 9.287 12.913 -2.030 1.00 0.00 O ATOM 39 CB LYS A 4 7.366 10.950 -4.042 1.00 0.00 C ATOM 40 CG LYS A 4 7.731 9.772 -3.137 1.00 0.00 C ATOM 41 CD LYS A 4 7.635 10.080 -1.660 1.00 0.00 C ATOM 42 CE LYS A 4 7.993 8.871 -0.826 1.00 0.00 C ATOM 43 NZ LYS A 4 9.384 8.404 -1.050 1.00 0.00 N ATOM 0 H LYS A 4 9.704 10.426 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 4 8.234 12.719 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.429 11.382 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.187 10.575 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.074 8.933 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.748 9.452 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.303 10.906 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.623 10.405 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.862 9.112 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.302 8.060 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.640 7.712 -0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.454 7.958 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.034 9.214 -1.003 1.00 0.00 H new ATOM 57 N HIS A 5 7.319 13.709 -2.691 1.00 0.00 N ATOM 58 CA HIS A 5 7.214 14.529 -1.494 1.00 0.00 C ATOM 59 C HIS A 5 6.492 13.783 -0.358 1.00 0.00 C ATOM 60 O HIS A 5 6.878 13.894 0.796 1.00 0.00 O ATOM 61 CB HIS A 5 6.602 15.938 -1.771 1.00 0.00 C ATOM 62 CG HIS A 5 5.134 15.985 -2.117 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.602 15.540 -3.297 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.086 16.453 -1.395 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.295 15.738 -3.268 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.919 16.294 -2.133 1.00 0.00 N ATOM 0 H HIS A 5 6.539 13.782 -3.345 1.00 0.00 H new ATOM 0 HA HIS A 5 8.233 14.717 -1.156 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.763 16.558 -0.889 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.159 16.396 -2.589 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.125 15.126 -4.068 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.148 16.881 -0.405 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.622 15.478 -4.071 1.00 0.00 H new ATOM 74 N SER A 6 5.496 12.978 -0.694 1.00 0.00 N ATOM 75 CA SER A 6 4.727 12.245 0.311 1.00 0.00 C ATOM 76 C SER A 6 3.978 11.113 -0.369 1.00 0.00 C ATOM 77 O SER A 6 4.232 10.832 -1.532 1.00 0.00 O ATOM 78 CB SER A 6 3.720 13.198 0.947 1.00 0.00 C ATOM 79 OG SER A 6 2.815 13.692 -0.034 1.00 0.00 O ATOM 0 H SER A 6 5.198 12.813 -1.655 1.00 0.00 H new ATOM 0 HA SER A 6 5.393 11.841 1.073 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.168 12.682 1.733 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.244 14.029 1.418 1.00 0.00 H new ATOM 0 HG SER A 6 2.515 14.590 0.220 1.00 0.00 H new ATOM 85 N ILE A 7 3.080 10.451 0.347 1.00 0.00 N ATOM 86 CA ILE A 7 2.213 9.458 -0.268 1.00 0.00 C ATOM 87 C ILE A 7 1.151 10.159 -1.152 1.00 0.00 C ATOM 88 O ILE A 7 0.621 9.578 -2.086 1.00 0.00 O ATOM 89 CB ILE A 7 1.518 8.539 0.775 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.746 7.429 0.050 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.588 9.343 1.677 1.00 0.00 C ATOM 92 CD1 ILE A 7 0.104 6.441 0.966 1.00 0.00 C ATOM 0 H ILE A 7 2.934 10.583 1.348 1.00 0.00 H new ATOM 0 HA ILE A 7 2.845 8.818 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 7 2.281 8.086 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.023 7.883 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.428 6.902 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.114 8.676 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.163 10.102 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.179 9.826 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.422 5.689 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.869 5.957 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.604 6.954 1.616 1.00 0.00 H new ATOM 104 N SER A 8 0.904 11.438 -0.870 1.00 0.00 N ATOM 105 CA SER A 8 -0.072 12.235 -1.607 1.00 0.00 C ATOM 106 C SER A 8 0.494 12.565 -2.997 1.00 0.00 C ATOM 107 O SER A 8 -0.213 13.023 -3.899 1.00 0.00 O ATOM 108 CB SER A 8 -0.397 13.512 -0.800 1.00 0.00 C ATOM 109 OG SER A 8 -1.383 14.323 -1.420 1.00 0.00 O ATOM 0 H SER A 8 1.376 11.949 -0.124 1.00 0.00 H new ATOM 0 HA SER A 8 -1.000 11.679 -1.745 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.740 13.229 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.515 14.094 -0.669 1.00 0.00 H new ATOM 0 HG SER A 8 -1.550 15.115 -0.867 1.00 0.00 H new ATOM 115 N ASP A 9 1.783 12.306 -3.150 1.00 0.00 N ATOM 116 CA ASP A 9 2.486 12.467 -4.414 1.00 0.00 C ATOM 117 C ASP A 9 2.017 11.367 -5.369 1.00 0.00 C ATOM 118 O ASP A 9 1.944 11.559 -6.590 1.00 0.00 O ATOM 119 CB ASP A 9 3.984 12.307 -4.156 1.00 0.00 C ATOM 120 CG ASP A 9 4.887 12.802 -5.259 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.983 12.171 -6.314 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.588 13.807 -5.027 1.00 0.00 O ATOM 0 H ASP A 9 2.378 11.974 -2.391 1.00 0.00 H new ATOM 0 HA ASP A 9 2.286 13.447 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.236 12.837 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.195 11.252 -3.983 1.00 0.00 H new ATOM 127 N TYR A 10 1.635 10.247 -4.778 1.00 0.00 N ATOM 128 CA TYR A 10 1.208 9.073 -5.498 1.00 0.00 C ATOM 129 C TYR A 10 -0.287 9.122 -5.732 1.00 0.00 C ATOM 130 O TYR A 10 -1.057 9.627 -4.899 1.00 0.00 O ATOM 131 CB TYR A 10 1.495 7.786 -4.686 1.00 0.00 C ATOM 132 CG TYR A 10 2.950 7.459 -4.393 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.698 8.215 -3.503 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.560 6.353 -4.976 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.993 7.892 -3.207 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.873 6.025 -4.688 1.00 0.00 C ATOM 137 CZ TYR A 10 5.583 6.797 -3.798 1.00 0.00 C ATOM 138 OH TYR A 10 6.890 6.468 -3.483 1.00 0.00 O ATOM 0 H TYR A 10 1.615 10.133 -3.765 1.00 0.00 H new ATOM 0 HA TYR A 10 1.756 9.056 -6.440 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.968 7.862 -3.735 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.061 6.943 -5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.248 9.077 -3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.999 5.740 -5.665 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.554 8.496 -2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.336 5.170 -5.158 1.00 0.00 H new ATOM 0 HH TYR A 10 7.156 5.669 -3.984 1.00 0.00 H new ATOM 148 N THR A 11 -0.694 8.637 -6.853 1.00 0.00 N ATOM 149 CA THR A 11 -2.086 8.443 -7.118 1.00 0.00 C ATOM 150 C THR A 11 -2.468 7.060 -6.625 1.00 0.00 C ATOM 151 O THR A 11 -1.578 6.274 -6.229 1.00 0.00 O ATOM 152 CB THR A 11 -2.387 8.555 -8.626 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.546 7.659 -9.354 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.156 9.958 -9.125 1.00 0.00 C ATOM 0 H THR A 11 -0.075 8.362 -7.616 1.00 0.00 H new ATOM 0 HA THR A 11 -2.662 9.213 -6.606 1.00 0.00 H new ATOM 0 HB THR A 11 -3.435 8.297 -8.779 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.640 8.029 -9.404 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.376 10.006 -10.191 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.808 10.647 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.116 10.237 -8.957 1.00 0.00 H new ATOM 162 N GLU A 12 -3.751 6.747 -6.650 1.00 0.00 N ATOM 163 CA GLU A 12 -4.203 5.438 -6.235 1.00 0.00 C ATOM 164 C GLU A 12 -3.569 4.377 -7.125 1.00 0.00 C ATOM 165 O GLU A 12 -3.051 3.412 -6.634 1.00 0.00 O ATOM 166 CB GLU A 12 -5.727 5.327 -6.282 1.00 0.00 C ATOM 167 CG GLU A 12 -6.265 3.973 -5.819 1.00 0.00 C ATOM 168 CD GLU A 12 -7.753 3.845 -6.001 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.498 4.198 -5.086 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.209 3.412 -7.081 1.00 0.00 O ATOM 0 H GLU A 12 -4.492 7.379 -6.952 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.896 5.282 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.158 6.110 -5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.063 5.511 -7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.766 3.179 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.018 3.829 -4.767 1.00 0.00 H new ATOM 177 N ALA A 13 -3.543 4.635 -8.429 1.00 0.00 N ATOM 178 CA ALA A 13 -2.994 3.699 -9.414 1.00 0.00 C ATOM 179 C ALA A 13 -1.518 3.394 -9.150 1.00 0.00 C ATOM 180 O ALA A 13 -1.103 2.245 -9.176 1.00 0.00 O ATOM 181 CB ALA A 13 -3.176 4.242 -10.822 1.00 0.00 C ATOM 0 H ALA A 13 -3.901 5.499 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.546 2.764 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.763 3.535 -11.541 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.238 4.385 -11.022 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.658 5.197 -10.914 1.00 0.00 H new ATOM 187 N GLU A 14 -0.746 4.425 -8.853 1.00 0.00 N ATOM 188 CA GLU A 14 0.690 4.275 -8.588 1.00 0.00 C ATOM 189 C GLU A 14 0.936 3.525 -7.303 1.00 0.00 C ATOM 190 O GLU A 14 1.916 2.797 -7.176 1.00 0.00 O ATOM 191 CB GLU A 14 1.348 5.628 -8.513 1.00 0.00 C ATOM 192 CG GLU A 14 1.288 6.407 -9.793 1.00 0.00 C ATOM 193 CD GLU A 14 1.744 7.808 -9.596 1.00 0.00 C ATOM 194 OE1 GLU A 14 0.967 8.609 -9.049 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.873 8.152 -10.003 1.00 0.00 O ATOM 0 H GLU A 14 -1.085 5.385 -8.787 1.00 0.00 H new ATOM 0 HA GLU A 14 1.121 3.702 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.872 6.209 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.392 5.498 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.910 5.922 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.267 6.405 -10.175 1.00 0.00 H new ATOM 202 N PHE A 15 0.068 3.721 -6.350 1.00 0.00 N ATOM 203 CA PHE A 15 0.164 3.023 -5.096 1.00 0.00 C ATOM 204 C PHE A 15 -0.362 1.617 -5.274 1.00 0.00 C ATOM 205 O PHE A 15 0.069 0.715 -4.660 1.00 0.00 O ATOM 206 CB PHE A 15 -0.574 3.763 -3.992 1.00 0.00 C ATOM 207 CG PHE A 15 -0.275 3.235 -2.622 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.850 3.667 -1.943 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.115 2.324 -2.007 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.135 3.196 -0.682 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.839 1.856 -0.746 1.00 0.00 C ATOM 212 CZ PHE A 15 0.289 2.289 -0.085 1.00 0.00 C ATOM 0 H PHE A 15 -0.721 4.364 -6.418 1.00 0.00 H new ATOM 0 HA PHE A 15 1.209 2.974 -4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.309 4.820 -4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.647 3.696 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.512 4.382 -2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.997 1.977 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.019 3.536 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.505 1.150 -0.273 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.510 1.916 0.904 1.00 0.00 H new ATOM 222 N LEU A 16 -1.300 1.466 -6.121 1.00 0.00 N ATOM 223 CA LEU A 16 -1.873 0.176 -6.442 1.00 0.00 C ATOM 224 C LEU A 16 -0.833 -0.666 -7.112 1.00 0.00 C ATOM 225 O LEU A 16 -0.796 -1.883 -6.964 1.00 0.00 O ATOM 226 CB LEU A 16 -3.085 0.430 -7.305 1.00 0.00 C ATOM 227 CG LEU A 16 -4.103 -0.621 -7.366 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.443 -0.007 -7.645 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.815 -1.589 -8.414 1.00 0.00 C ATOM 0 H LEU A 16 -1.718 2.241 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.192 -0.375 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.565 1.343 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.740 0.624 -8.321 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.103 -1.135 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.200 -0.790 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.694 0.695 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.410 0.521 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.593 -2.353 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.787 -1.083 -9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.850 -2.057 -8.221 1.00 0.00 H new ATOM 241 N GLU A 17 0.006 -0.026 -7.814 1.00 0.00 N ATOM 242 CA GLU A 17 1.122 -0.678 -8.364 1.00 0.00 C ATOM 243 C GLU A 17 2.193 -1.015 -7.297 1.00 0.00 C ATOM 244 O GLU A 17 3.038 -1.847 -7.547 1.00 0.00 O ATOM 245 CB GLU A 17 1.675 0.000 -9.611 1.00 0.00 C ATOM 246 CG GLU A 17 0.715 -0.084 -10.792 1.00 0.00 C ATOM 247 CD GLU A 17 1.257 0.537 -12.049 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.075 -0.102 -12.740 1.00 0.00 O ATOM 249 OE2 GLU A 17 0.872 1.678 -12.372 1.00 0.00 O ATOM 0 H GLU A 17 -0.058 0.969 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 17 0.761 -1.640 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.884 1.047 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.623 -0.464 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.480 -1.131 -10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.220 0.409 -10.526 1.00 0.00 H new ATOM 256 N PHE A 18 2.150 -0.338 -6.107 1.00 0.00 N ATOM 257 CA PHE A 18 3.071 -0.659 -4.961 1.00 0.00 C ATOM 258 C PHE A 18 2.943 -2.115 -4.662 1.00 0.00 C ATOM 259 O PHE A 18 3.904 -2.862 -4.686 1.00 0.00 O ATOM 260 CB PHE A 18 2.755 0.198 -3.617 1.00 0.00 C ATOM 261 CG PHE A 18 2.039 -0.519 -2.365 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.644 -0.682 -2.279 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.778 -0.990 -1.293 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.044 -1.296 -1.165 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.175 -1.595 -0.196 1.00 0.00 C ATOM 266 CZ PHE A 18 0.817 -1.744 -0.137 1.00 0.00 C ATOM 0 H PHE A 18 1.498 0.423 -5.915 1.00 0.00 H new ATOM 0 HA PHE A 18 4.084 -0.392 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.701 0.607 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.132 1.043 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.020 -0.328 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.853 -0.884 -1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.029 -1.412 -1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.787 -1.952 0.620 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.360 -2.215 0.721 1.00 0.00 H new ATOM 276 N VAL A 19 1.731 -2.506 -4.474 1.00 0.00 N ATOM 277 CA VAL A 19 1.408 -3.819 -4.061 1.00 0.00 C ATOM 278 C VAL A 19 1.604 -4.825 -5.185 1.00 0.00 C ATOM 279 O VAL A 19 2.051 -5.942 -4.944 1.00 0.00 O ATOM 280 CB VAL A 19 -0.009 -3.865 -3.432 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.089 -3.498 -4.403 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.282 -5.163 -2.708 1.00 0.00 C ATOM 0 H VAL A 19 0.919 -1.903 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 19 2.105 -4.117 -3.277 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.025 -3.088 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.058 -3.548 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.921 -2.485 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.076 -4.193 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.287 -5.141 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.200 -5.994 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.444 -5.292 -1.905 1.00 0.00 H new ATOM 292 N LYS A 20 1.300 -4.414 -6.410 1.00 0.00 N ATOM 293 CA LYS A 20 1.537 -5.265 -7.565 1.00 0.00 C ATOM 294 C LYS A 20 3.034 -5.536 -7.688 1.00 0.00 C ATOM 295 O LYS A 20 3.470 -6.670 -7.909 1.00 0.00 O ATOM 296 CB LYS A 20 1.053 -4.614 -8.849 1.00 0.00 C ATOM 297 CG LYS A 20 -0.428 -4.388 -8.908 1.00 0.00 C ATOM 298 CD LYS A 20 -0.826 -3.915 -10.267 1.00 0.00 C ATOM 299 CE LYS A 20 -2.310 -3.672 -10.394 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.699 -3.308 -11.781 1.00 0.00 N ATOM 0 H LYS A 20 0.892 -3.504 -6.627 1.00 0.00 H new ATOM 0 HA LYS A 20 0.983 -6.193 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.560 -3.657 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.347 -5.239 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.954 -5.312 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.721 -3.652 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.291 -2.993 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.519 -4.654 -11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.851 -4.568 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.606 -2.874 -9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.726 -3.150 -11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.203 -2.439 -12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.441 -4.080 -12.428 1.00 0.00 H new ATOM 314 N LYS A 21 3.807 -4.467 -7.501 1.00 0.00 N ATOM 315 CA LYS A 21 5.253 -4.504 -7.529 1.00 0.00 C ATOM 316 C LYS A 21 5.757 -5.446 -6.469 1.00 0.00 C ATOM 317 O LYS A 21 6.521 -6.320 -6.763 1.00 0.00 O ATOM 318 CB LYS A 21 5.831 -3.091 -7.299 1.00 0.00 C ATOM 319 CG LYS A 21 7.344 -2.994 -7.380 1.00 0.00 C ATOM 320 CD LYS A 21 7.872 -1.580 -7.075 1.00 0.00 C ATOM 321 CE LYS A 21 7.625 -0.545 -8.199 1.00 0.00 C ATOM 322 NZ LYS A 21 6.195 -0.168 -8.413 1.00 0.00 N ATOM 0 H LYS A 21 3.430 -3.536 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 21 5.578 -4.857 -8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.399 -2.414 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.512 -2.740 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.786 -3.701 -6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.669 -3.290 -8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.403 -1.221 -6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.943 -1.640 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.192 0.358 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.023 -0.944 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.127 0.856 -8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.821 -0.679 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.640 -0.418 -7.570 1.00 0.00 H new ATOM 336 N ILE A 22 5.284 -5.278 -5.249 1.00 0.00 N ATOM 337 CA ILE A 22 5.700 -6.129 -4.136 1.00 0.00 C ATOM 338 C ILE A 22 5.375 -7.588 -4.425 1.00 0.00 C ATOM 339 O ILE A 22 6.204 -8.464 -4.227 1.00 0.00 O ATOM 340 CB ILE A 22 5.033 -5.703 -2.805 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.384 -4.253 -2.502 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.487 -6.613 -1.661 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.772 -3.711 -1.252 1.00 0.00 C ATOM 0 H ILE A 22 4.607 -4.558 -4.996 1.00 0.00 H new ATOM 0 HA ILE A 22 6.778 -6.012 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 22 3.951 -5.797 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.468 -4.164 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.070 -3.634 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.008 -6.298 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.207 -7.643 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.569 -6.547 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.077 -2.673 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.686 -3.763 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.106 -4.301 -0.398 1.00 0.00 H new ATOM 355 N CYS A 23 4.199 -7.819 -4.968 1.00 0.00 N ATOM 356 CA CYS A 23 3.726 -9.152 -5.280 1.00 0.00 C ATOM 357 C CYS A 23 4.639 -9.839 -6.324 1.00 0.00 C ATOM 358 O CYS A 23 4.789 -11.061 -6.316 1.00 0.00 O ATOM 359 CB CYS A 23 2.261 -9.085 -5.760 1.00 0.00 C ATOM 360 SG CYS A 23 1.439 -10.688 -5.998 1.00 0.00 S ATOM 0 H CYS A 23 3.538 -7.080 -5.208 1.00 0.00 H new ATOM 0 HA CYS A 23 3.765 -9.761 -4.377 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.687 -8.506 -5.037 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.231 -8.538 -6.702 1.00 0.00 H new ATOM 0 HG CYS A 23 0.218 -10.494 -6.399 1.00 0.00 H new ATOM 366 N ARG A 24 5.270 -9.054 -7.196 1.00 0.00 N ATOM 367 CA ARG A 24 6.174 -9.615 -8.198 1.00 0.00 C ATOM 368 C ARG A 24 7.640 -9.545 -7.717 1.00 0.00 C ATOM 369 O ARG A 24 8.506 -10.229 -8.224 1.00 0.00 O ATOM 370 CB ARG A 24 6.033 -8.893 -9.547 1.00 0.00 C ATOM 371 CG ARG A 24 6.619 -7.505 -9.576 1.00 0.00 C ATOM 372 CD ARG A 24 6.499 -6.871 -10.930 1.00 0.00 C ATOM 373 NE ARG A 24 7.273 -5.625 -10.991 1.00 0.00 N ATOM 374 CZ ARG A 24 7.122 -4.642 -11.888 1.00 0.00 C ATOM 375 NH1 ARG A 24 6.161 -4.700 -12.814 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.939 -3.595 -11.842 1.00 0.00 N ATOM 0 H ARG A 24 5.174 -8.039 -7.229 1.00 0.00 H new ATOM 0 HA ARG A 24 5.896 -10.660 -8.336 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.515 -9.494 -10.318 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.975 -8.833 -9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.113 -6.883 -8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.669 -7.549 -9.288 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.854 -7.563 -11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.451 -6.665 -11.149 1.00 0.00 H new ATOM 0 HE ARG A 24 7.995 -5.496 -10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.530 -5.501 -12.845 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.058 -3.944 -13.491 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.668 -3.548 -11.130 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.837 -2.838 -12.518 1.00 0.00 H new ATOM 390 N ALA A 25 7.875 -8.739 -6.713 1.00 0.00 N ATOM 391 CA ALA A 25 9.204 -8.442 -6.180 1.00 0.00 C ATOM 392 C ALA A 25 9.633 -9.412 -5.097 1.00 0.00 C ATOM 393 O ALA A 25 10.477 -9.055 -4.273 1.00 0.00 O ATOM 394 CB ALA A 25 9.274 -7.018 -5.668 1.00 0.00 C ATOM 0 H ALA A 25 7.129 -8.249 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 25 9.902 -8.559 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.272 -6.821 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.061 -6.327 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.539 -6.880 -4.875 1.00 0.00 H new ATOM 400 N GLU A 26 9.037 -10.622 -5.113 1.00 0.00 N ATOM 401 CA GLU A 26 9.260 -11.729 -4.136 1.00 0.00 C ATOM 402 C GLU A 26 10.673 -11.730 -3.560 1.00 0.00 C ATOM 403 O GLU A 26 10.852 -11.840 -2.339 1.00 0.00 O ATOM 404 CB GLU A 26 8.996 -13.067 -4.811 1.00 0.00 C ATOM 405 CG GLU A 26 7.625 -13.178 -5.436 1.00 0.00 C ATOM 406 CD GLU A 26 7.408 -14.503 -6.095 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.935 -14.723 -7.192 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.716 -15.362 -5.523 1.00 0.00 O ATOM 0 H GLU A 26 8.359 -10.873 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 26 8.568 -11.570 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.750 -13.229 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.115 -13.863 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.865 -13.027 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.498 -12.384 -6.171 1.00 0.00 H new ATOM 415 N GLY A 27 11.656 -11.645 -4.441 1.00 0.00 N ATOM 416 CA GLY A 27 13.003 -11.441 -4.021 1.00 0.00 C ATOM 417 C GLY A 27 13.813 -12.688 -3.914 1.00 0.00 C ATOM 418 O GLY A 27 13.329 -13.796 -4.174 1.00 0.00 O ATOM 0 H GLY A 27 11.530 -11.716 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.491 -10.765 -4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.996 -10.943 -3.052 1.00 0.00 H new ATOM 422 N ALA A 28 15.066 -12.495 -3.562 1.00 0.00 N ATOM 423 CA ALA A 28 15.981 -13.586 -3.312 1.00 0.00 C ATOM 424 C ALA A 28 15.703 -14.087 -1.919 1.00 0.00 C ATOM 425 O ALA A 28 15.687 -15.281 -1.643 1.00 0.00 O ATOM 426 CB ALA A 28 17.414 -13.091 -3.406 1.00 0.00 C ATOM 0 H ALA A 28 15.480 -11.571 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 28 15.847 -14.381 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.098 -13.918 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.596 -12.691 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.578 -12.308 -2.666 1.00 0.00 H new ATOM 432 N THR A 29 15.474 -13.147 -1.070 1.00 0.00 N ATOM 433 CA THR A 29 15.112 -13.346 0.276 1.00 0.00 C ATOM 434 C THR A 29 13.838 -12.559 0.482 1.00 0.00 C ATOM 435 O THR A 29 13.626 -11.556 -0.212 1.00 0.00 O ATOM 436 CB THR A 29 16.234 -12.814 1.186 1.00 0.00 C ATOM 437 OG1 THR A 29 16.731 -11.564 0.650 1.00 0.00 O ATOM 438 CG2 THR A 29 17.373 -13.818 1.296 1.00 0.00 C ATOM 0 H THR A 29 15.541 -12.160 -1.320 1.00 0.00 H new ATOM 0 HA THR A 29 14.962 -14.399 0.515 1.00 0.00 H new ATOM 0 HB THR A 29 15.827 -12.655 2.184 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.445 -11.221 1.228 1.00 0.00 H new ATOM 0 HG21 THR A 29 18.151 -13.416 1.945 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.997 -14.751 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.788 -14.007 0.306 1.00 0.00 H new ATOM 446 N GLU A 30 12.985 -12.977 1.385 1.00 0.00 N ATOM 447 CA GLU A 30 11.719 -12.289 1.572 1.00 0.00 C ATOM 448 C GLU A 30 11.890 -10.903 2.193 1.00 0.00 C ATOM 449 O GLU A 30 10.978 -10.093 2.173 1.00 0.00 O ATOM 450 CB GLU A 30 10.706 -13.142 2.325 1.00 0.00 C ATOM 451 CG GLU A 30 11.123 -13.582 3.708 1.00 0.00 C ATOM 452 CD GLU A 30 10.054 -14.408 4.348 1.00 0.00 C ATOM 453 OE1 GLU A 30 9.934 -15.596 4.006 1.00 0.00 O ATOM 454 OE2 GLU A 30 9.278 -13.876 5.169 1.00 0.00 O ATOM 0 H GLU A 30 13.135 -13.779 1.997 1.00 0.00 H new ATOM 0 HA GLU A 30 11.308 -12.126 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.775 -12.581 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.492 -14.030 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.047 -14.158 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.332 -12.708 4.325 1.00 0.00 H new ATOM 461 N GLU A 31 13.072 -10.620 2.707 1.00 0.00 N ATOM 462 CA GLU A 31 13.371 -9.294 3.219 1.00 0.00 C ATOM 463 C GLU A 31 13.421 -8.279 2.053 1.00 0.00 C ATOM 464 O GLU A 31 13.232 -7.089 2.252 1.00 0.00 O ATOM 465 CB GLU A 31 14.705 -9.277 3.975 1.00 0.00 C ATOM 466 CG GLU A 31 15.921 -9.614 3.119 1.00 0.00 C ATOM 467 CD GLU A 31 17.212 -9.464 3.869 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.665 -8.316 4.061 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.803 -10.480 4.278 1.00 0.00 O ATOM 0 H GLU A 31 13.840 -11.288 2.781 1.00 0.00 H new ATOM 0 HA GLU A 31 12.580 -9.015 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.847 -8.289 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.649 -9.987 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.833 -10.638 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.936 -8.965 2.243 1.00 0.00 H new ATOM 476 N ASP A 32 13.657 -8.780 0.836 1.00 0.00 N ATOM 477 CA ASP A 32 13.729 -7.931 -0.367 1.00 0.00 C ATOM 478 C ASP A 32 12.315 -7.481 -0.735 1.00 0.00 C ATOM 479 O ASP A 32 12.100 -6.406 -1.289 1.00 0.00 O ATOM 480 CB ASP A 32 14.395 -8.698 -1.528 1.00 0.00 C ATOM 481 CG ASP A 32 14.806 -7.809 -2.685 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.812 -7.088 -2.559 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.166 -7.837 -3.756 1.00 0.00 O ATOM 0 H ASP A 32 13.803 -9.773 0.653 1.00 0.00 H new ATOM 0 HA ASP A 32 14.341 -7.052 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.275 -9.219 -1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.705 -9.459 -1.893 1.00 0.00 H new ATOM 488 N ASP A 33 11.371 -8.314 -0.374 1.00 0.00 N ATOM 489 CA ASP A 33 9.930 -8.044 -0.502 1.00 0.00 C ATOM 490 C ASP A 33 9.553 -7.061 0.592 1.00 0.00 C ATOM 491 O ASP A 33 9.051 -5.956 0.339 1.00 0.00 O ATOM 492 CB ASP A 33 9.191 -9.388 -0.283 1.00 0.00 C ATOM 493 CG ASP A 33 7.660 -9.353 -0.257 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.069 -8.712 0.628 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.039 -10.094 -1.059 1.00 0.00 O ATOM 0 H ASP A 33 11.572 -9.229 0.030 1.00 0.00 H new ATOM 0 HA ASP A 33 9.669 -7.630 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.499 -10.074 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.535 -9.812 0.661 1.00 0.00 H new ATOM 500 N ASN A 34 9.901 -7.457 1.799 1.00 0.00 N ATOM 501 CA ASN A 34 9.613 -6.732 3.030 1.00 0.00 C ATOM 502 C ASN A 34 10.151 -5.304 3.015 1.00 0.00 C ATOM 503 O ASN A 34 9.490 -4.394 3.499 1.00 0.00 O ATOM 504 CB ASN A 34 10.206 -7.500 4.203 1.00 0.00 C ATOM 505 CG ASN A 34 9.879 -6.915 5.552 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.593 -6.057 6.071 1.00 0.00 O ATOM 507 ND2 ASN A 34 8.842 -7.412 6.142 1.00 0.00 N ATOM 0 H ASN A 34 10.412 -8.325 1.961 1.00 0.00 H new ATOM 0 HA ASN A 34 8.530 -6.656 3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.847 -8.528 4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.289 -7.537 4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.586 -7.095 7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.279 -8.122 5.673 1.00 0.00 H new ATOM 514 N LYS A 35 11.337 -5.107 2.441 1.00 0.00 N ATOM 515 CA LYS A 35 11.961 -3.784 2.397 1.00 0.00 C ATOM 516 C LYS A 35 11.072 -2.790 1.636 1.00 0.00 C ATOM 517 O LYS A 35 10.980 -1.619 2.016 1.00 0.00 O ATOM 518 CB LYS A 35 13.377 -3.834 1.778 1.00 0.00 C ATOM 519 CG LYS A 35 13.401 -4.011 0.271 1.00 0.00 C ATOM 520 CD LYS A 35 14.802 -4.129 -0.272 1.00 0.00 C ATOM 521 CE LYS A 35 14.785 -4.129 -1.790 1.00 0.00 C ATOM 522 NZ LYS A 35 16.095 -4.467 -2.357 1.00 0.00 N ATOM 0 H LYS A 35 11.885 -5.846 2.000 1.00 0.00 H new ATOM 0 HA LYS A 35 12.067 -3.441 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.903 -2.913 2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.931 -4.654 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.834 -4.903 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.902 -3.164 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.410 -3.300 0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.264 -5.047 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.042 -4.844 -2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.478 -3.147 -2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.280 -3.866 -3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.834 -4.309 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.101 -5.466 -2.646 1.00 0.00 H new ATOM 536 N LEU A 36 10.396 -3.269 0.579 1.00 0.00 N ATOM 537 CA LEU A 36 9.478 -2.418 -0.160 1.00 0.00 C ATOM 538 C LEU A 36 8.308 -2.098 0.720 1.00 0.00 C ATOM 539 O LEU A 36 7.957 -0.941 0.905 1.00 0.00 O ATOM 540 CB LEU A 36 8.972 -3.087 -1.447 1.00 0.00 C ATOM 541 CG LEU A 36 10.003 -3.379 -2.529 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.330 -4.028 -3.721 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.694 -2.101 -2.956 1.00 0.00 C ATOM 0 H LEU A 36 10.472 -4.224 0.230 1.00 0.00 H new ATOM 0 HA LEU A 36 10.014 -1.514 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.493 -4.027 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.200 -2.450 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 36 10.751 -4.062 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.073 -4.234 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.861 -4.962 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.571 -3.356 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.428 -2.325 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.956 -1.402 -3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.196 -1.655 -2.098 1.00 0.00 H new ATOM 555 N VAL A 37 7.763 -3.139 1.312 1.00 0.00 N ATOM 556 CA VAL A 37 6.612 -3.050 2.197 1.00 0.00 C ATOM 557 C VAL A 37 6.830 -1.980 3.273 1.00 0.00 C ATOM 558 O VAL A 37 5.998 -1.106 3.458 1.00 0.00 O ATOM 559 CB VAL A 37 6.336 -4.415 2.880 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.128 -4.315 3.756 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.134 -5.512 1.854 1.00 0.00 C ATOM 0 H VAL A 37 8.111 -4.090 1.192 1.00 0.00 H new ATOM 0 HA VAL A 37 5.751 -2.773 1.589 1.00 0.00 H new ATOM 0 HB VAL A 37 7.206 -4.669 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.942 -5.278 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.296 -3.559 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.264 -4.035 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.943 -6.456 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.284 -5.264 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.030 -5.606 1.241 1.00 0.00 H new ATOM 571 N ARG A 38 7.984 -2.034 3.906 1.00 0.00 N ATOM 572 CA ARG A 38 8.375 -1.112 4.980 1.00 0.00 C ATOM 573 C ARG A 38 8.266 0.359 4.566 1.00 0.00 C ATOM 574 O ARG A 38 7.692 1.169 5.307 1.00 0.00 O ATOM 575 CB ARG A 38 9.813 -1.402 5.416 1.00 0.00 C ATOM 576 CG ARG A 38 10.026 -2.738 6.107 1.00 0.00 C ATOM 577 CD ARG A 38 9.704 -2.682 7.590 1.00 0.00 C ATOM 578 NE ARG A 38 8.323 -2.304 7.902 1.00 0.00 N ATOM 579 CZ ARG A 38 7.960 -1.655 9.013 1.00 0.00 C ATOM 580 NH1 ARG A 38 8.883 -1.188 9.851 1.00 0.00 N ATOM 581 NH2 ARG A 38 6.679 -1.461 9.269 1.00 0.00 N ATOM 0 H ARG A 38 8.698 -2.730 3.692 1.00 0.00 H new ATOM 0 HA ARG A 38 7.682 -1.276 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.457 -1.359 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.138 -0.608 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.401 -3.494 5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.062 -3.051 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.907 -3.659 8.029 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.378 -1.971 8.068 1.00 0.00 H new ATOM 0 HE ARG A 38 7.595 -2.551 7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.873 -1.325 9.647 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.600 -0.694 10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.971 -1.806 8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.397 -0.966 10.115 1.00 0.00 H new ATOM 595 N GLU A 39 8.780 0.707 3.383 1.00 0.00 N ATOM 596 CA GLU A 39 8.773 2.107 2.968 1.00 0.00 C ATOM 597 C GLU A 39 7.346 2.564 2.681 1.00 0.00 C ATOM 598 O GLU A 39 6.981 3.722 2.931 1.00 0.00 O ATOM 599 CB GLU A 39 9.699 2.385 1.759 1.00 0.00 C ATOM 600 CG GLU A 39 9.220 1.848 0.422 1.00 0.00 C ATOM 601 CD GLU A 39 10.126 2.244 -0.709 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.899 3.315 -1.312 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.092 1.512 -1.017 1.00 0.00 O ATOM 0 H GLU A 39 9.194 0.058 2.714 1.00 0.00 H new ATOM 0 HA GLU A 39 9.176 2.688 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.834 3.463 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.679 1.958 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.157 0.761 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.213 2.217 0.224 1.00 0.00 H new ATOM 610 N PHE A 40 6.536 1.643 2.196 1.00 0.00 N ATOM 611 CA PHE A 40 5.157 1.928 1.896 1.00 0.00 C ATOM 612 C PHE A 40 4.320 1.980 3.174 1.00 0.00 C ATOM 613 O PHE A 40 3.379 2.784 3.280 1.00 0.00 O ATOM 614 CB PHE A 40 4.595 0.933 0.887 1.00 0.00 C ATOM 615 CG PHE A 40 5.209 1.023 -0.503 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.999 2.133 -1.307 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.967 -0.018 -1.006 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.542 2.195 -2.583 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.504 0.033 -2.275 1.00 0.00 C ATOM 620 CZ PHE A 40 6.296 1.135 -3.064 1.00 0.00 C ATOM 0 H PHE A 40 6.819 0.682 2.002 1.00 0.00 H new ATOM 0 HA PHE A 40 5.107 2.914 1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.744 -0.076 1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.519 1.087 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.407 2.957 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.142 -0.889 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.378 3.066 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.089 -0.795 -2.648 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.718 1.177 -4.057 1.00 0.00 H new ATOM 630 N GLU A 41 4.666 1.133 4.143 1.00 0.00 N ATOM 631 CA GLU A 41 4.055 1.147 5.463 1.00 0.00 C ATOM 632 C GLU A 41 4.242 2.486 6.143 1.00 0.00 C ATOM 633 O GLU A 41 3.355 2.959 6.811 1.00 0.00 O ATOM 634 CB GLU A 41 4.628 0.048 6.355 1.00 0.00 C ATOM 635 CG GLU A 41 4.093 -1.344 6.087 1.00 0.00 C ATOM 636 CD GLU A 41 4.668 -2.373 7.019 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.825 -2.784 6.853 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.977 -2.763 7.986 1.00 0.00 O ATOM 0 H GLU A 41 5.382 0.416 4.029 1.00 0.00 H new ATOM 0 HA GLU A 41 2.990 0.967 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.711 0.033 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.426 0.304 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.007 -1.337 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.319 -1.624 5.058 1.00 0.00 H new ATOM 645 N ARG A 42 5.396 3.093 5.956 1.00 0.00 N ATOM 646 CA ARG A 42 5.686 4.390 6.566 1.00 0.00 C ATOM 647 C ARG A 42 4.956 5.517 5.852 1.00 0.00 C ATOM 648 O ARG A 42 4.568 6.499 6.473 1.00 0.00 O ATOM 649 CB ARG A 42 7.182 4.645 6.609 1.00 0.00 C ATOM 650 CG ARG A 42 7.929 3.658 7.480 1.00 0.00 C ATOM 651 CD ARG A 42 9.414 3.915 7.454 1.00 0.00 C ATOM 652 NE ARG A 42 10.142 3.017 8.361 1.00 0.00 N ATOM 653 CZ ARG A 42 11.470 2.984 8.513 1.00 0.00 C ATOM 654 NH1 ARG A 42 12.241 3.818 7.832 1.00 0.00 N ATOM 655 NH2 ARG A 42 12.021 2.110 9.354 1.00 0.00 N ATOM 0 H ARG A 42 6.154 2.715 5.387 1.00 0.00 H new ATOM 0 HA ARG A 42 5.319 4.364 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.581 4.600 5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.362 5.655 6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.564 3.726 8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.728 2.643 7.137 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.787 3.785 6.438 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.608 4.950 7.735 1.00 0.00 H new ATOM 0 HE ARG A 42 9.590 2.366 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.822 4.489 7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.254 3.789 7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.430 1.467 9.881 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.034 2.084 9.471 1.00 0.00 H new ATOM 669 N LEU A 43 4.764 5.360 4.561 1.00 0.00 N ATOM 670 CA LEU A 43 4.017 6.333 3.764 1.00 0.00 C ATOM 671 C LEU A 43 2.570 6.389 4.199 1.00 0.00 C ATOM 672 O LEU A 43 1.977 7.457 4.322 1.00 0.00 O ATOM 673 CB LEU A 43 4.076 5.967 2.284 1.00 0.00 C ATOM 674 CG LEU A 43 5.414 6.141 1.606 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.342 5.650 0.172 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.844 7.597 1.654 1.00 0.00 C ATOM 0 H LEU A 43 5.115 4.564 4.029 1.00 0.00 H new ATOM 0 HA LEU A 43 4.476 7.310 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.770 4.926 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.341 6.572 1.752 1.00 0.00 H new ATOM 0 HG LEU A 43 6.158 5.547 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.313 5.781 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.072 4.594 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.590 6.222 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.810 7.707 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.104 8.212 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.927 7.918 2.692 1.00 0.00 H new ATOM 688 N THR A 44 2.022 5.244 4.435 1.00 0.00 N ATOM 689 CA THR A 44 0.652 5.124 4.809 1.00 0.00 C ATOM 690 C THR A 44 0.457 5.287 6.284 1.00 0.00 C ATOM 691 O THR A 44 -0.614 5.734 6.731 1.00 0.00 O ATOM 692 CB THR A 44 0.137 3.762 4.384 1.00 0.00 C ATOM 693 OG1 THR A 44 1.071 2.745 4.787 1.00 0.00 O ATOM 694 CG2 THR A 44 -0.037 3.725 2.909 1.00 0.00 C ATOM 0 H THR A 44 2.518 4.355 4.373 1.00 0.00 H new ATOM 0 HA THR A 44 0.098 5.919 4.310 1.00 0.00 H new ATOM 0 HB THR A 44 -0.826 3.579 4.862 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.805 2.700 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.407 2.744 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.753 4.490 2.608 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.921 3.914 2.425 1.00 0.00 H new ATOM 702 N GLU A 45 1.505 4.920 7.031 1.00 0.00 N ATOM 703 CA GLU A 45 1.495 4.844 8.479 1.00 0.00 C ATOM 704 C GLU A 45 0.509 3.766 8.868 1.00 0.00 C ATOM 705 O GLU A 45 -0.042 3.740 9.975 1.00 0.00 O ATOM 706 CB GLU A 45 1.157 6.192 9.093 1.00 0.00 C ATOM 707 CG GLU A 45 2.160 7.260 8.737 1.00 0.00 C ATOM 708 CD GLU A 45 1.822 8.587 9.324 1.00 0.00 C ATOM 709 OE1 GLU A 45 2.085 8.796 10.533 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.288 9.452 8.591 1.00 0.00 O ATOM 0 H GLU A 45 2.404 4.662 6.624 1.00 0.00 H new ATOM 0 HA GLU A 45 2.482 4.586 8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.167 6.502 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.109 6.091 10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.147 6.955 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.217 7.351 7.652 1.00 0.00 H new ATOM 717 N HIS A 46 0.353 2.820 7.949 1.00 0.00 N ATOM 718 CA HIS A 46 -0.607 1.794 8.087 1.00 0.00 C ATOM 719 C HIS A 46 0.004 0.608 8.851 1.00 0.00 C ATOM 720 O HIS A 46 1.018 0.045 8.440 1.00 0.00 O ATOM 721 CB HIS A 46 -1.182 1.369 6.705 1.00 0.00 C ATOM 722 CG HIS A 46 -2.408 0.511 6.816 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.443 -0.642 7.536 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.681 0.757 6.449 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.694 -1.042 7.632 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.501 -0.238 6.976 1.00 0.00 N ATOM 0 H HIS A 46 0.904 2.765 7.092 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.448 2.172 8.668 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.422 2.262 6.128 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.416 0.827 6.150 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.011 1.589 5.845 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.015 -1.917 8.178 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.512 -0.324 6.875 1.00 0.00 H new ATOM 734 N PRO A 47 -0.655 0.210 9.943 1.00 0.00 N ATOM 735 CA PRO A 47 -0.209 -0.850 10.850 1.00 0.00 C ATOM 736 C PRO A 47 -0.053 -2.173 10.160 1.00 0.00 C ATOM 737 O PRO A 47 1.007 -2.772 10.155 1.00 0.00 O ATOM 738 CB PRO A 47 -1.357 -0.943 11.860 1.00 0.00 C ATOM 739 CG PRO A 47 -2.483 -0.201 11.295 1.00 0.00 C ATOM 740 CD PRO A 47 -1.912 0.789 10.384 1.00 0.00 C ATOM 0 HA PRO A 47 0.767 -0.625 11.281 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.631 -1.983 12.038 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.061 -0.522 12.821 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.162 -0.870 10.765 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.062 0.284 12.081 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.576 0.980 9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.753 1.743 10.887 1.00 0.00 H new ATOM 748 N ASP A 48 -1.100 -2.575 9.510 1.00 0.00 N ATOM 749 CA ASP A 48 -1.162 -3.837 8.872 1.00 0.00 C ATOM 750 C ASP A 48 -0.649 -3.693 7.468 1.00 0.00 C ATOM 751 O ASP A 48 -0.919 -4.523 6.655 1.00 0.00 O ATOM 752 CB ASP A 48 -2.611 -4.348 8.771 1.00 0.00 C ATOM 753 CG ASP A 48 -3.408 -4.246 10.037 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.917 -3.146 10.336 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.563 -5.251 10.740 1.00 0.00 O ATOM 0 H ASP A 48 -1.949 -2.018 9.411 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.568 -4.537 9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.125 -3.787 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.591 -5.391 8.455 1.00 0.00 H new ATOM 760 N GLY A 49 0.102 -2.616 7.186 1.00 0.00 N ATOM 761 CA GLY A 49 0.630 -2.388 5.811 1.00 0.00 C ATOM 762 C GLY A 49 1.409 -3.538 5.298 1.00 0.00 C ATOM 763 O GLY A 49 1.459 -3.779 4.105 1.00 0.00 O ATOM 0 H GLY A 49 0.358 -1.900 7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.202 -2.188 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.261 -1.499 5.812 1.00 0.00 H new ATOM 767 N SER A 50 1.979 -4.257 6.185 1.00 0.00 N ATOM 768 CA SER A 50 2.661 -5.451 5.819 1.00 0.00 C ATOM 769 C SER A 50 1.668 -6.595 5.707 1.00 0.00 C ATOM 770 O SER A 50 1.562 -7.245 4.662 1.00 0.00 O ATOM 771 CB SER A 50 3.774 -5.728 6.813 1.00 0.00 C ATOM 772 OG SER A 50 3.332 -5.426 8.137 1.00 0.00 O ATOM 0 H SER A 50 1.991 -4.043 7.182 1.00 0.00 H new ATOM 0 HA SER A 50 3.128 -5.338 4.840 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.076 -6.773 6.751 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.650 -5.128 6.567 1.00 0.00 H new ATOM 0 HG SER A 50 3.503 -4.481 8.331 1.00 0.00 H new ATOM 778 N ASP A 51 0.892 -6.761 6.764 1.00 0.00 N ATOM 779 CA ASP A 51 -0.102 -7.834 6.914 1.00 0.00 C ATOM 780 C ASP A 51 -1.035 -7.903 5.712 1.00 0.00 C ATOM 781 O ASP A 51 -1.311 -8.961 5.226 1.00 0.00 O ATOM 782 CB ASP A 51 -0.937 -7.599 8.163 1.00 0.00 C ATOM 783 CG ASP A 51 -1.422 -8.879 8.796 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.595 -9.593 9.393 1.00 0.00 O ATOM 785 OD2 ASP A 51 -2.631 -9.178 8.739 1.00 0.00 O ATOM 0 H ASP A 51 0.930 -6.139 7.572 1.00 0.00 H new ATOM 0 HA ASP A 51 0.443 -8.775 6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.345 -7.042 8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.796 -6.978 7.908 1.00 0.00 H new ATOM 790 N LEU A 52 -1.446 -6.737 5.212 1.00 0.00 N ATOM 791 CA LEU A 52 -2.369 -6.607 4.062 1.00 0.00 C ATOM 792 C LEU A 52 -1.854 -7.328 2.834 1.00 0.00 C ATOM 793 O LEU A 52 -2.614 -7.912 2.075 1.00 0.00 O ATOM 794 CB LEU A 52 -2.543 -5.130 3.674 1.00 0.00 C ATOM 795 CG LEU A 52 -3.109 -4.187 4.723 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.175 -2.777 4.169 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.477 -4.656 5.196 1.00 0.00 C ATOM 0 H LEU A 52 -1.148 -5.839 5.593 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.314 -7.048 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.570 -4.746 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.192 -5.087 2.799 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.446 -4.188 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.582 -2.107 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.173 -2.447 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.817 -2.762 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.860 -3.964 5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.163 -4.689 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.390 -5.651 5.632 1.00 0.00 H new ATOM 809 N ILE A 53 -0.561 -7.289 2.660 1.00 0.00 N ATOM 810 CA ILE A 53 0.061 -7.834 1.462 1.00 0.00 C ATOM 811 C ILE A 53 0.262 -9.320 1.616 1.00 0.00 C ATOM 812 O ILE A 53 0.273 -10.084 0.646 1.00 0.00 O ATOM 813 CB ILE A 53 1.423 -7.157 1.241 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.226 -5.653 1.179 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.103 -7.667 -0.036 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.504 -4.888 1.178 1.00 0.00 C ATOM 0 H ILE A 53 0.093 -6.886 3.330 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.588 -7.647 0.606 1.00 0.00 H new ATOM 0 HB ILE A 53 2.078 -7.406 2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.662 -5.405 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.623 -5.338 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.064 -7.167 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.261 -8.743 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.468 -7.454 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.289 -3.820 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.060 -5.107 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.099 -5.176 0.312 1.00 0.00 H new ATOM 828 N TYR A 54 0.394 -9.724 2.828 1.00 0.00 N ATOM 829 CA TYR A 54 0.682 -11.081 3.119 1.00 0.00 C ATOM 830 C TYR A 54 -0.587 -11.880 3.366 1.00 0.00 C ATOM 831 O TYR A 54 -0.678 -13.047 2.984 1.00 0.00 O ATOM 832 CB TYR A 54 1.652 -11.162 4.296 1.00 0.00 C ATOM 833 CG TYR A 54 2.987 -10.492 4.014 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.746 -10.862 2.918 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.478 -9.492 4.835 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.950 -10.251 2.647 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.685 -8.875 4.570 1.00 0.00 C ATOM 838 CZ TYR A 54 5.416 -9.258 3.474 1.00 0.00 C ATOM 839 OH TYR A 54 6.623 -8.646 3.201 1.00 0.00 O ATOM 0 H TYR A 54 0.305 -9.122 3.647 1.00 0.00 H new ATOM 0 HA TYR A 54 1.163 -11.532 2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.195 -10.696 5.169 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.823 -12.209 4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.388 -11.643 2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.906 -9.188 5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.527 -10.552 1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.051 -8.096 5.222 1.00 0.00 H new ATOM 0 HH TYR A 54 7.004 -9.025 2.382 1.00 0.00 H new ATOM 849 N TYR A 55 -1.567 -11.242 3.947 1.00 0.00 N ATOM 850 CA TYR A 55 -2.802 -11.872 4.298 1.00 0.00 C ATOM 851 C TYR A 55 -3.982 -11.003 3.890 1.00 0.00 C ATOM 852 O TYR A 55 -4.238 -9.970 4.517 1.00 0.00 O ATOM 853 CB TYR A 55 -2.907 -12.077 5.821 1.00 0.00 C ATOM 854 CG TYR A 55 -1.775 -12.828 6.471 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.753 -14.211 6.487 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.733 -12.145 7.086 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.725 -14.897 7.094 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.298 -12.824 7.695 1.00 0.00 C ATOM 859 CZ TYR A 55 0.296 -14.200 7.697 1.00 0.00 C ATOM 860 OH TYR A 55 1.324 -14.887 8.310 1.00 0.00 O ATOM 0 H TYR A 55 -1.525 -10.253 4.192 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.823 -12.831 3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.985 -11.098 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.836 -12.607 6.032 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.554 -14.761 6.016 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.732 -11.065 7.086 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.720 -15.977 7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.103 -12.281 8.168 1.00 0.00 H new ATOM 0 HH TYR A 55 1.965 -14.249 8.687 1.00 0.00 H new ATOM 870 N PRO A 56 -4.672 -11.342 2.802 1.00 0.00 N ATOM 871 CA PRO A 56 -5.972 -10.753 2.522 1.00 0.00 C ATOM 872 C PRO A 56 -6.878 -11.140 3.693 1.00 0.00 C ATOM 873 O PRO A 56 -6.781 -12.279 4.191 1.00 0.00 O ATOM 874 CB PRO A 56 -6.426 -11.466 1.236 1.00 0.00 C ATOM 875 CG PRO A 56 -5.167 -11.972 0.617 1.00 0.00 C ATOM 876 CD PRO A 56 -4.230 -12.265 1.755 1.00 0.00 C ATOM 0 HA PRO A 56 -5.979 -9.669 2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.114 -12.282 1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.948 -10.782 0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.356 -12.869 0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.740 -11.231 -0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.302 -13.304 2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.191 -12.089 1.476 1.00 0.00 H new ATOM 884 N ARG A 57 -7.722 -10.239 4.169 1.00 0.00 N ATOM 885 CA ARG A 57 -8.464 -10.562 5.380 1.00 0.00 C ATOM 886 C ARG A 57 -9.675 -11.481 5.077 1.00 0.00 C ATOM 887 O ARG A 57 -9.522 -12.584 4.538 1.00 0.00 O ATOM 888 CB ARG A 57 -8.973 -9.281 6.053 1.00 0.00 C ATOM 889 CG ARG A 57 -7.956 -8.207 6.387 1.00 0.00 C ATOM 890 CD ARG A 57 -8.671 -7.088 7.133 1.00 0.00 C ATOM 891 NE ARG A 57 -7.836 -5.921 7.412 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.335 -5.624 8.627 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.374 -6.525 9.606 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.787 -4.439 8.853 1.00 0.00 N ATOM 0 H ARG A 57 -7.907 -9.322 3.762 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.780 -11.088 6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.727 -8.838 5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.476 -9.565 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.154 -8.620 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.496 -7.823 5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.534 -6.771 6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.052 -7.481 8.076 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.619 -5.292 6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.784 -7.444 9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.994 -6.297 10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.743 -3.747 8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.409 -4.219 9.775 1.00 0.00 H new ATOM 908 N ASP A 58 -10.863 -11.002 5.360 1.00 0.00 N ATOM 909 CA ASP A 58 -12.088 -11.719 5.037 1.00 0.00 C ATOM 910 C ASP A 58 -12.934 -10.852 4.144 1.00 0.00 C ATOM 911 O ASP A 58 -13.406 -11.260 3.102 1.00 0.00 O ATOM 912 CB ASP A 58 -12.870 -12.071 6.314 1.00 0.00 C ATOM 913 CG ASP A 58 -14.125 -12.891 6.046 1.00 0.00 C ATOM 914 OD1 ASP A 58 -15.204 -12.320 5.817 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.058 -14.132 6.092 1.00 0.00 O ATOM 0 H ASP A 58 -11.015 -10.105 5.821 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.834 -12.649 4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.219 -12.627 6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.149 -11.150 6.826 1.00 0.00 H new ATOM 920 N ASP A 59 -13.049 -9.608 4.556 1.00 0.00 N ATOM 921 CA ASP A 59 -13.909 -8.619 3.911 1.00 0.00 C ATOM 922 C ASP A 59 -13.197 -7.930 2.758 1.00 0.00 C ATOM 923 O ASP A 59 -13.709 -6.955 2.188 1.00 0.00 O ATOM 924 CB ASP A 59 -14.346 -7.555 4.934 1.00 0.00 C ATOM 925 CG ASP A 59 -15.074 -8.117 6.137 1.00 0.00 C ATOM 926 OD1 ASP A 59 -16.298 -8.332 6.073 1.00 0.00 O ATOM 927 OD2 ASP A 59 -14.429 -8.352 7.182 1.00 0.00 O ATOM 0 H ASP A 59 -12.542 -9.242 5.362 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.780 -9.145 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.465 -7.012 5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.992 -6.832 4.437 1.00 0.00 H new ATOM 932 N ARG A 60 -12.044 -8.437 2.399 1.00 0.00 N ATOM 933 CA ARG A 60 -11.262 -7.853 1.342 1.00 0.00 C ATOM 934 C ARG A 60 -11.596 -8.417 0.004 1.00 0.00 C ATOM 935 O ARG A 60 -12.178 -9.494 -0.116 1.00 0.00 O ATOM 936 CB ARG A 60 -9.755 -8.016 1.561 1.00 0.00 C ATOM 937 CG ARG A 60 -9.065 -6.914 2.340 1.00 0.00 C ATOM 938 CD ARG A 60 -9.265 -5.547 1.678 1.00 0.00 C ATOM 939 NE ARG A 60 -10.570 -4.936 2.002 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.331 -4.210 1.164 1.00 0.00 C ATOM 941 NH1 ARG A 60 -10.898 -3.942 -0.070 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.480 -3.692 1.593 1.00 0.00 N ATOM 0 H ARG A 60 -11.624 -9.261 2.829 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.519 -6.794 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.585 -8.959 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.275 -8.098 0.586 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.455 -6.887 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.999 -7.131 2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.467 -4.876 1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.179 -5.657 0.597 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.926 -5.078 2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.989 -4.288 -0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.476 -3.391 -0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.781 -3.846 2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.059 -3.141 0.959 1.00 0.00 H new ATOM 956 N GLU A 61 -11.248 -7.660 -0.983 1.00 0.00 N ATOM 957 CA GLU A 61 -11.263 -8.085 -2.332 1.00 0.00 C ATOM 958 C GLU A 61 -9.860 -8.538 -2.621 1.00 0.00 C ATOM 959 O GLU A 61 -8.899 -7.816 -2.304 1.00 0.00 O ATOM 960 CB GLU A 61 -11.636 -6.917 -3.245 1.00 0.00 C ATOM 961 CG GLU A 61 -11.552 -7.234 -4.725 1.00 0.00 C ATOM 962 CD GLU A 61 -12.442 -8.378 -5.132 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.659 -8.184 -5.251 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.944 -9.502 -5.327 1.00 0.00 O ATOM 0 H GLU A 61 -10.936 -6.697 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.991 -8.878 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.651 -6.597 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.978 -6.076 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.825 -6.347 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.520 -7.474 -4.982 1.00 0.00 H new ATOM 971 N ASP A 62 -9.717 -9.702 -3.174 1.00 0.00 N ATOM 972 CA ASP A 62 -8.406 -10.224 -3.448 1.00 0.00 C ATOM 973 C ASP A 62 -7.864 -9.672 -4.744 1.00 0.00 C ATOM 974 O ASP A 62 -8.004 -10.276 -5.816 1.00 0.00 O ATOM 975 CB ASP A 62 -8.377 -11.756 -3.441 1.00 0.00 C ATOM 976 CG ASP A 62 -7.004 -12.310 -3.788 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.112 -12.324 -2.924 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.801 -12.749 -4.947 1.00 0.00 O ATOM 0 H ASP A 62 -10.488 -10.312 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.755 -9.894 -2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.674 -12.118 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.110 -12.134 -4.154 1.00 0.00 H new ATOM 983 N SER A 63 -7.415 -8.459 -4.685 1.00 0.00 N ATOM 984 CA SER A 63 -6.752 -7.868 -5.775 1.00 0.00 C ATOM 985 C SER A 63 -5.742 -6.872 -5.237 1.00 0.00 C ATOM 986 O SER A 63 -5.904 -6.390 -4.103 1.00 0.00 O ATOM 987 CB SER A 63 -7.775 -7.188 -6.707 1.00 0.00 C ATOM 988 OG SER A 63 -8.513 -6.189 -6.025 1.00 0.00 O ATOM 0 H SER A 63 -7.505 -7.856 -3.867 1.00 0.00 H new ATOM 0 HA SER A 63 -6.229 -8.623 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.256 -6.743 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.458 -7.937 -7.108 1.00 0.00 H new ATOM 0 HG SER A 63 -9.152 -5.775 -6.643 1.00 0.00 H new ATOM 994 N PRO A 64 -4.653 -6.608 -5.985 1.00 0.00 N ATOM 995 CA PRO A 64 -3.731 -5.505 -5.691 1.00 0.00 C ATOM 996 C PRO A 64 -4.538 -4.205 -5.424 1.00 0.00 C ATOM 997 O PRO A 64 -4.227 -3.427 -4.519 1.00 0.00 O ATOM 998 CB PRO A 64 -2.921 -5.411 -7.012 1.00 0.00 C ATOM 999 CG PRO A 64 -2.866 -6.815 -7.488 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.186 -7.429 -7.116 1.00 0.00 C ATOM 0 HA PRO A 64 -3.104 -5.651 -4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.410 -4.761 -7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.923 -5.006 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.706 -6.856 -8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.040 -7.353 -7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.889 -7.399 -7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.074 -8.475 -6.831 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.608 -4.029 -6.193 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.515 -2.910 -6.033 1.00 0.00 C ATOM 1010 C GLU A 65 -7.223 -2.965 -4.671 1.00 0.00 C ATOM 1011 O GLU A 65 -7.239 -1.981 -3.928 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.546 -2.913 -7.154 1.00 0.00 C ATOM 1013 CG GLU A 65 -8.506 -1.750 -7.092 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.527 -1.772 -8.185 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -10.557 -2.473 -8.039 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -9.344 -1.070 -9.193 1.00 0.00 O ATOM 0 H GLU A 65 -5.867 -4.665 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.933 -1.990 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.028 -2.896 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.112 -3.844 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.015 -1.758 -6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.943 -0.818 -7.148 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.784 -4.125 -4.357 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.510 -4.323 -3.118 1.00 0.00 C ATOM 1025 C GLY A 66 -7.663 -4.129 -1.892 1.00 0.00 C ATOM 1026 O GLY A 66 -8.182 -3.770 -0.832 1.00 0.00 O ATOM 0 H GLY A 66 -7.747 -4.951 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.350 -3.630 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.927 -5.330 -3.107 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.378 -4.393 -2.012 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.459 -4.125 -0.929 1.00 0.00 C ATOM 1032 C ILE A 67 -5.335 -2.624 -0.723 1.00 0.00 C ATOM 1033 O ILE A 67 -5.517 -2.146 0.378 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.066 -4.797 -1.137 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.217 -6.332 -1.093 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -3.059 -4.318 -0.085 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.921 -7.101 -1.275 1.00 0.00 C ATOM 0 H ILE A 67 -5.949 -4.792 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.869 -4.575 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.681 -4.507 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.659 -6.613 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.917 -6.637 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.098 -4.803 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.939 -3.237 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.423 -4.573 0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.123 -8.171 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.485 -6.855 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.223 -6.830 -0.483 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.115 -1.884 -1.804 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.010 -0.415 -1.743 1.00 0.00 C ATOM 1051 C VAL A 68 -6.290 0.201 -1.206 1.00 0.00 C ATOM 1052 O VAL A 68 -6.268 1.191 -0.447 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.682 0.192 -3.126 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.725 1.719 -3.116 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.331 -0.262 -3.560 1.00 0.00 C ATOM 0 H VAL A 68 -5.004 -2.271 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.190 -0.184 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.444 -0.154 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.487 2.096 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.722 2.053 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.996 2.099 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.099 0.166 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.587 0.065 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.317 -1.350 -3.628 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.387 -0.406 -1.568 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.687 0.031 -1.152 1.00 0.00 C ATOM 1067 C LYS A 69 -8.806 -0.059 0.399 1.00 0.00 C ATOM 1068 O LYS A 69 -9.469 0.768 1.021 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.752 -0.804 -1.911 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.174 -0.257 -1.884 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.864 -0.537 -0.578 1.00 0.00 C ATOM 1072 CE LYS A 69 -13.175 0.217 -0.477 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.168 -0.215 -1.477 1.00 0.00 N ATOM 0 H LYS A 69 -7.401 -1.230 -2.169 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.855 1.078 -1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.439 -0.896 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.763 -1.810 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.151 0.819 -2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.748 -0.700 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.049 -1.607 -0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.213 -0.252 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.590 0.080 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.985 1.283 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.042 0.336 -1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.788 -0.060 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.375 -1.226 -1.346 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.108 -1.017 1.007 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.097 -1.149 2.462 1.00 0.00 C ATOM 1089 C GLU A 70 -7.401 0.074 3.063 1.00 0.00 C ATOM 1090 O GLU A 70 -7.927 0.706 3.998 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.350 -2.413 2.891 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.405 -2.718 4.387 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.760 -3.194 4.872 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.693 -2.388 4.971 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.895 -4.386 5.214 1.00 0.00 O ATOM 0 H GLU A 70 -7.544 -1.711 0.516 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.125 -1.219 2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.762 -3.263 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.306 -2.319 2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.660 -3.479 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.128 -1.821 4.940 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.218 0.421 2.504 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.466 1.582 2.960 1.00 0.00 C ATOM 1104 C ILE A 71 -6.299 2.850 2.829 1.00 0.00 C ATOM 1105 O ILE A 71 -6.350 3.668 3.770 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.112 1.810 2.192 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.093 0.694 2.404 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.472 3.126 2.594 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -3.303 -0.552 1.619 1.00 0.00 C ATOM 0 H ILE A 71 -5.777 -0.093 1.741 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.228 1.370 4.002 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.383 1.821 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.104 1.085 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.087 0.434 3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.538 3.258 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.149 3.947 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.269 3.120 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.516 -1.268 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.273 -0.982 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.274 -0.320 0.554 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.943 3.021 1.663 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.719 4.194 1.398 1.00 0.00 C ATOM 1123 C LYS A 72 -8.795 4.367 2.450 1.00 0.00 C ATOM 1124 O LYS A 72 -8.842 5.391 3.069 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.296 4.200 -0.044 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.675 3.597 -0.248 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.045 3.499 -1.722 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.300 4.868 -2.333 1.00 0.00 C ATOM 1129 NZ LYS A 72 -10.668 4.771 -3.757 1.00 0.00 N ATOM 0 H LYS A 72 -6.927 2.345 0.899 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.055 5.057 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.326 5.233 -0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.597 3.667 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.706 2.604 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.416 4.204 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.242 3.002 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.935 2.880 -1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.098 5.368 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.407 5.485 -2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.283 5.570 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.807 4.796 -4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.174 3.878 -3.925 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.564 3.313 2.716 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.678 3.376 3.656 1.00 0.00 C ATOM 1145 C GLU A 73 -10.221 3.534 5.090 1.00 0.00 C ATOM 1146 O GLU A 73 -10.953 4.056 5.921 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.561 2.145 3.542 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.274 2.012 2.223 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.225 3.148 1.947 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.335 3.153 2.514 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.903 4.031 1.138 1.00 0.00 O ATOM 0 H GLU A 73 -9.433 2.397 2.288 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.251 4.263 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.949 1.257 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.302 2.169 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.537 1.961 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.826 1.072 2.209 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.035 3.062 5.387 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.504 3.169 6.727 1.00 0.00 C ATOM 1160 C TRP A 74 -8.152 4.620 6.984 1.00 0.00 C ATOM 1161 O TRP A 74 -8.710 5.263 7.870 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.276 2.265 6.879 1.00 0.00 C ATOM 1163 CG TRP A 74 -6.728 2.150 8.276 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.235 1.396 9.295 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.553 2.782 8.801 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.443 1.508 10.404 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.410 2.352 10.134 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.612 3.668 8.275 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.361 2.767 10.944 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.574 4.092 9.079 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.450 3.640 10.396 1.00 0.00 C ATOM 0 H TRP A 74 -8.418 2.600 4.720 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.244 2.843 7.458 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.535 1.267 6.525 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.487 2.640 6.227 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.132 0.798 9.234 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.601 1.034 11.293 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.695 4.016 7.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.264 2.419 11.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.845 4.785 8.684 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.621 3.984 10.996 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.310 5.167 6.126 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.864 6.541 6.265 1.00 0.00 C ATOM 1184 C ARG A 75 -8.022 7.511 6.056 1.00 0.00 C ATOM 1185 O ARG A 75 -8.069 8.580 6.681 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.706 6.835 5.315 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.502 5.939 5.561 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.278 6.398 4.806 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.511 6.535 3.370 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.904 7.446 2.604 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.053 8.315 3.148 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.149 7.490 1.298 1.00 0.00 N ATOM 0 H ARG A 75 -6.919 4.677 5.321 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.498 6.681 7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.044 6.708 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.407 7.877 5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.280 5.918 6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.746 4.918 5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.948 7.356 5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.468 5.687 4.971 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.175 5.899 2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.864 8.285 4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.590 9.010 2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.802 6.827 0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.684 8.186 0.715 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.978 7.098 5.225 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.185 7.868 4.930 1.00 0.00 C ATOM 1208 C ALA A 76 -11.090 7.963 6.154 1.00 0.00 C ATOM 1209 O ALA A 76 -11.859 8.920 6.291 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.965 7.242 3.752 1.00 0.00 C ATOM 0 H ALA A 76 -8.935 6.207 4.731 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.870 8.873 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.859 7.833 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.333 7.228 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.254 6.223 4.008 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.987 6.980 7.045 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.821 6.925 8.223 1.00 0.00 C ATOM 1218 C ALA A 77 -11.202 7.777 9.278 1.00 0.00 C ATOM 1219 O ALA A 77 -11.835 8.675 9.851 1.00 0.00 O ATOM 1220 CB ALA A 77 -11.949 5.491 8.713 1.00 0.00 C ATOM 0 H ALA A 77 -10.325 6.208 6.964 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.820 7.292 7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.580 5.465 9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.397 4.878 7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.961 5.101 8.958 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.923 7.517 9.474 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.119 8.149 10.480 1.00 0.00 C ATOM 1228 C ASN A 78 -9.070 9.658 10.286 1.00 0.00 C ATOM 1229 O ASN A 78 -9.159 10.433 11.244 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.679 7.651 10.406 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.436 6.147 10.437 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.432 5.704 9.900 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.289 5.376 11.052 1.00 0.00 N ATOM 0 H ASN A 78 -9.407 6.837 8.915 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.574 7.904 11.440 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.238 8.041 9.488 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.130 8.094 11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.128 4.370 11.095 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.117 5.779 11.490 1.00 0.00 H new ATOM 1240 N GLY A 79 -8.927 10.071 9.053 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.759 11.465 8.768 1.00 0.00 C ATOM 1242 C GLY A 79 -7.319 11.759 8.480 1.00 0.00 C ATOM 1243 O GLY A 79 -6.797 12.818 8.826 1.00 0.00 O ATOM 0 H GLY A 79 -8.924 9.461 8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.374 11.747 7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.098 12.061 9.615 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.667 10.799 7.872 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.305 10.914 7.498 1.00 0.00 C ATOM 1249 C LYS A 80 -5.214 11.370 6.055 1.00 0.00 C ATOM 1250 O LYS A 80 -6.206 11.835 5.479 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.608 9.574 7.664 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.376 9.152 9.104 1.00 0.00 C ATOM 1253 CD LYS A 80 -3.590 7.866 9.143 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.266 7.412 10.567 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.469 7.096 11.356 1.00 0.00 N ATOM 0 H LYS A 80 -7.089 9.904 7.625 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.815 11.647 8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.202 8.807 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.646 9.614 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.837 9.934 9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.332 9.020 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.156 7.084 8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.661 7.996 8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.624 6.532 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.701 8.195 11.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.187 6.746 12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.047 7.953 11.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.023 6.365 10.866 1.00 0.00 H new ATOM 1269 N SER A 81 -4.050 11.242 5.484 1.00 0.00 N ATOM 1270 CA SER A 81 -3.809 11.597 4.110 1.00 0.00 C ATOM 1271 C SER A 81 -4.549 10.628 3.154 1.00 0.00 C ATOM 1272 O SER A 81 -5.158 9.629 3.591 1.00 0.00 O ATOM 1273 CB SER A 81 -2.301 11.563 3.868 1.00 0.00 C ATOM 1274 OG SER A 81 -1.945 12.007 2.567 1.00 0.00 O ATOM 0 H SER A 81 -3.227 10.882 5.966 1.00 0.00 H new ATOM 0 HA SER A 81 -4.192 12.598 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.804 12.188 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.937 10.546 4.013 1.00 0.00 H new ATOM 0 HG SER A 81 -2.491 12.784 2.326 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.476 10.913 1.876 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.131 10.120 0.879 1.00 0.00 C ATOM 1282 C GLY A 82 -4.220 9.910 -0.296 1.00 0.00 C ATOM 1283 O GLY A 82 -2.997 10.044 -0.155 1.00 0.00 O ATOM 0 H GLY A 82 -3.956 11.707 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.420 9.158 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.047 10.614 0.555 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.766 9.509 -1.408 1.00 0.00 N ATOM 1288 CA PHE A 83 -4.015 9.374 -2.604 1.00 0.00 C ATOM 1289 C PHE A 83 -4.450 10.468 -3.527 1.00 0.00 C ATOM 1290 O PHE A 83 -5.490 11.104 -3.294 1.00 0.00 O ATOM 1291 CB PHE A 83 -4.304 8.043 -3.288 1.00 0.00 C ATOM 1292 CG PHE A 83 -4.129 6.824 -2.416 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.861 6.402 -2.084 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.225 6.098 -1.923 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.672 5.298 -1.291 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.022 4.993 -1.131 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.750 4.594 -0.816 1.00 0.00 C ATOM 0 H PHE A 83 -5.752 9.267 -1.502 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.952 9.423 -2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.328 8.059 -3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.650 7.948 -4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.004 6.947 -2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.230 6.409 -2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.670 4.982 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.869 4.437 -0.756 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.595 3.725 -0.194 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.682 10.727 -4.527 1.00 0.00 N ATOM 1308 CA LYS A 84 -4.088 11.650 -5.529 1.00 0.00 C ATOM 1309 C LYS A 84 -5.023 10.923 -6.471 1.00 0.00 C ATOM 1310 O LYS A 84 -4.751 9.802 -6.895 1.00 0.00 O ATOM 1311 CB LYS A 84 -2.861 12.220 -6.229 1.00 0.00 C ATOM 1312 CG LYS A 84 -3.139 13.284 -7.291 1.00 0.00 C ATOM 1313 CD LYS A 84 -1.877 14.100 -7.585 1.00 0.00 C ATOM 1314 CE LYS A 84 -0.766 13.292 -8.252 1.00 0.00 C ATOM 1315 NZ LYS A 84 -0.999 13.066 -9.698 1.00 0.00 N ATOM 0 H LYS A 84 -2.763 10.310 -4.673 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.621 12.501 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.202 12.649 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.318 11.399 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.491 12.808 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.935 13.946 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.140 14.940 -8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.500 14.519 -6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.183 13.812 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.674 12.329 -7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.733 12.091 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.005 13.216 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.423 13.732 -10.251 1.00 0.00 H new ATOM 1329 N GLN A 85 -6.117 11.548 -6.764 1.00 0.00 N ATOM 1330 CA GLN A 85 -7.207 10.976 -7.583 1.00 0.00 C ATOM 1331 C GLN A 85 -6.883 10.958 -9.077 1.00 0.00 C ATOM 1332 O GLN A 85 -7.737 10.678 -9.911 1.00 0.00 O ATOM 1333 CB GLN A 85 -8.551 11.707 -7.324 1.00 0.00 C ATOM 1334 CG GLN A 85 -8.555 13.217 -7.650 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.673 14.049 -6.721 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.499 13.726 -5.548 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -7.068 15.060 -7.244 1.00 0.00 N ATOM 0 H GLN A 85 -6.310 12.498 -6.445 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.309 9.937 -7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.329 11.223 -7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.820 11.578 -6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.220 13.359 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.578 13.589 -7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.233 15.304 -8.221 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.424 15.616 -6.681 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.661 11.176 -9.373 1.00 0.00 N ATOM 1347 CA GLY A 86 -5.202 11.235 -10.718 1.00 0.00 C ATOM 1348 C GLY A 86 -4.582 12.565 -10.961 1.00 0.00 C ATOM 1349 O GLY A 86 -5.283 13.483 -11.409 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.409 12.740 -10.617 1.00 0.00 O ATOM 0 H GLY A 86 -4.930 11.323 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.477 10.442 -10.903 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.032 11.075 -11.406 1.00 0.00 H new TER 1354 GLY A 86