USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 649 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 37 ASN : amide:sc= 0.581 K(o=0.89,f=-1.1!) USER MOD Set 1.2: A 74 SER OG : rot 40:sc= 0.308 USER MOD Set 2.1: A 68 ASN : amide:sc= -0.195 K(o=1,f=-0.075) USER MOD Set 2.2: A 70 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.14) USER MOD Set 3.1: A 41 THR OG1 : rot -58:sc= 0.223 USER MOD Set 3.2: A 75 CYS SG : rot -162:sc= 1.45 USER MOD Set 4.1: A 27 THR OG1 : rot 106:sc= 0.307 USER MOD Set 4.2: A 40 HIS : no HD1:sc= 1.01 K(o=1.3,f=-3.8!) USER MOD Set 5.1: A 7 LYS NZ :NH3+ -136:sc= 0.775 (180deg=-0.0677) USER MOD Set 5.2: A 14 TYR OH : rot 180:sc= 0.707 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : A 12 LYS NZ :NH3+ -129:sc= 2.38 (180deg=0.343) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.6 K(o=0.6,f=-0.71) USER MOD Single : A 28 TYR OH : rot 158:sc= 0.694 USER MOD Single : A 33 ASN : amide:sc= 1.21 K(o=1.2,f=-0.12) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.15) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.22) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.182 USER MOD Single : A 79 LYS NZ :NH3+ -105:sc= 1.26 (180deg=-0.677) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -156:sc= -1.42 (180deg=-1.59) USER MOD Single : A 84 LYS NZ :NH3+ -150:sc= 1.03 (180deg=0.484) USER MOD Single : A 87 SER OG : rot 94:sc= 1.27 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 1.02 K(o=1,f=-0.036) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.242 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 15.460 2.547 4.737 1.00 1.13 N ATOM 65 CA GLU A 5 14.714 3.756 5.056 1.00 1.19 C ATOM 66 C GLU A 5 13.554 3.947 4.085 1.00 1.05 C ATOM 67 O GLU A 5 13.669 3.636 2.899 1.00 1.01 O ATOM 68 CB GLU A 5 15.641 4.972 5.002 1.00 1.48 C ATOM 69 CG GLU A 5 16.664 5.013 6.122 1.00 1.61 C ATOM 70 CD GLU A 5 16.113 5.628 7.388 1.00 2.22 C ATOM 71 OE1 GLU A 5 16.065 6.872 7.472 1.00 2.57 O ATOM 72 OE2 GLU A 5 15.727 4.879 8.308 1.00 2.91 O ATOM 0 HA GLU A 5 14.310 3.655 6.063 1.00 1.19 H new ATOM 0 HB2 GLU A 5 16.163 4.977 4.045 1.00 1.48 H new ATOM 0 HB3 GLU A 5 15.038 5.879 5.040 1.00 1.48 H new ATOM 0 HG2 GLU A 5 17.007 4.000 6.334 1.00 1.61 H new ATOM 0 HG3 GLU A 5 17.534 5.582 5.794 1.00 1.61 H new ATOM 79 N ILE A 6 12.442 4.464 4.591 1.00 1.00 N ATOM 80 CA ILE A 6 11.261 4.693 3.770 1.00 0.88 C ATOM 81 C ILE A 6 11.397 5.991 2.977 1.00 0.86 C ATOM 82 O ILE A 6 11.357 7.083 3.545 1.00 0.90 O ATOM 83 CB ILE A 6 9.979 4.758 4.626 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.920 3.572 5.594 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.746 4.780 3.733 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.766 3.644 6.572 1.00 0.92 C ATOM 0 H ILE A 6 12.333 4.733 5.569 1.00 1.00 H new ATOM 0 HA ILE A 6 11.182 3.850 3.083 1.00 0.88 H new ATOM 0 HB ILE A 6 9.999 5.678 5.210 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.842 2.649 5.020 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.855 3.522 6.152 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.850 4.826 4.351 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.783 5.654 3.083 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.721 3.876 3.125 1.00 0.79 H new ATOM 0 HD11 ILE A 6 8.788 2.772 7.225 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.854 4.549 7.172 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.824 3.663 6.023 1.00 0.92 H new ATOM 98 N LYS A 7 11.576 5.867 1.673 1.00 0.86 N ATOM 99 CA LYS A 7 11.714 7.027 0.806 1.00 0.89 C ATOM 100 C LYS A 7 10.366 7.409 0.210 1.00 0.79 C ATOM 101 O LYS A 7 9.689 6.573 -0.392 1.00 0.74 O ATOM 102 CB LYS A 7 12.701 6.730 -0.329 1.00 0.99 C ATOM 103 CG LYS A 7 14.164 6.772 0.082 1.00 1.10 C ATOM 104 CD LYS A 7 14.652 8.193 0.328 1.00 1.61 C ATOM 105 CE LYS A 7 14.439 9.098 -0.883 1.00 1.77 C ATOM 106 NZ LYS A 7 15.059 8.554 -2.122 1.00 2.23 N ATOM 0 H LYS A 7 11.629 4.971 1.189 1.00 0.86 H new ATOM 0 HA LYS A 7 12.091 7.856 1.406 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.479 5.744 -0.738 1.00 0.99 H new ATOM 0 HB3 LYS A 7 12.541 7.451 -1.131 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.302 6.180 0.987 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.772 6.311 -0.696 1.00 1.10 H new ATOM 0 HD2 LYS A 7 14.128 8.611 1.187 1.00 1.61 H new ATOM 0 HD3 LYS A 7 15.712 8.172 0.581 1.00 1.61 H new ATOM 0 HE2 LYS A 7 13.370 9.234 -1.046 1.00 1.77 H new ATOM 0 HE3 LYS A 7 14.858 10.082 -0.674 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 15.552 9.317 -2.627 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 15.739 7.808 -1.871 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 14.319 8.155 -2.734 1.00 2.23 H new ATOM 120 N GLN A 8 9.970 8.661 0.390 1.00 0.81 N ATOM 121 CA GLN A 8 8.710 9.135 -0.160 1.00 0.78 C ATOM 122 C GLN A 8 8.926 9.645 -1.576 1.00 0.90 C ATOM 123 O GLN A 8 9.648 10.617 -1.807 1.00 1.15 O ATOM 124 CB GLN A 8 8.076 10.221 0.719 1.00 0.93 C ATOM 125 CG GLN A 8 9.011 11.364 1.070 1.00 1.29 C ATOM 126 CD GLN A 8 8.396 12.341 2.054 1.00 1.76 C ATOM 127 OE1 GLN A 8 8.494 12.169 3.270 1.00 2.52 O ATOM 128 NE2 GLN A 8 7.758 13.375 1.537 1.00 1.94 N ATOM 0 H GLN A 8 10.499 9.362 0.909 1.00 0.81 H new ATOM 0 HA GLN A 8 8.014 8.296 -0.183 1.00 0.78 H new ATOM 0 HB2 GLN A 8 7.204 10.625 0.205 1.00 0.93 H new ATOM 0 HB3 GLN A 8 7.719 9.763 1.641 1.00 0.93 H new ATOM 0 HG2 GLN A 8 9.931 10.959 1.493 1.00 1.29 H new ATOM 0 HG3 GLN A 8 9.286 11.896 0.159 1.00 1.29 H new ATOM 0 HE21 GLN A 8 7.698 13.483 0.525 1.00 1.94 H new ATOM 0 HE22 GLN A 8 7.325 14.066 2.150 1.00 1.94 H new ATOM 137 N GLY A 9 8.323 8.954 -2.520 1.00 0.87 N ATOM 138 CA GLY A 9 8.443 9.325 -3.912 1.00 1.04 C ATOM 139 C GLY A 9 7.176 9.958 -4.434 1.00 0.71 C ATOM 140 O GLY A 9 6.336 10.406 -3.650 1.00 0.83 O ATOM 0 H GLY A 9 7.745 8.132 -2.348 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.273 10.021 -4.033 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.679 8.441 -4.505 1.00 1.04 H new ATOM 144 N GLU A 10 7.034 9.988 -5.752 1.00 1.04 N ATOM 145 CA GLU A 10 5.862 10.569 -6.395 1.00 0.82 C ATOM 146 C GLU A 10 4.595 9.808 -5.992 1.00 0.70 C ATOM 147 O GLU A 10 4.238 8.804 -6.615 1.00 0.72 O ATOM 148 CB GLU A 10 6.048 10.543 -7.914 1.00 0.79 C ATOM 149 CG GLU A 10 5.285 11.623 -8.660 1.00 1.82 C ATOM 150 CD GLU A 10 3.804 11.336 -8.741 1.00 2.48 C ATOM 151 OE1 GLU A 10 3.411 10.418 -9.490 1.00 2.65 O ATOM 152 OE2 GLU A 10 3.025 12.031 -8.061 1.00 3.19 O ATOM 0 H GLU A 10 7.724 9.613 -6.403 1.00 1.04 H new ATOM 0 HA GLU A 10 5.750 11.603 -6.068 1.00 0.82 H new ATOM 0 HB2 GLU A 10 7.110 10.644 -8.139 1.00 0.79 H new ATOM 0 HB3 GLU A 10 5.734 9.569 -8.289 1.00 0.79 H new ATOM 0 HG2 GLU A 10 5.439 12.581 -8.163 1.00 1.82 H new ATOM 0 HG3 GLU A 10 5.689 11.718 -9.668 1.00 1.82 H new ATOM 159 N ASN A 11 3.937 10.300 -4.938 1.00 0.63 N ATOM 160 CA ASN A 11 2.720 9.692 -4.399 1.00 0.59 C ATOM 161 C ASN A 11 2.941 8.208 -4.124 1.00 0.47 C ATOM 162 O ASN A 11 2.092 7.367 -4.426 1.00 0.44 O ATOM 163 CB ASN A 11 1.530 9.896 -5.345 1.00 0.71 C ATOM 164 CG ASN A 11 0.880 11.258 -5.184 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.058 11.472 -4.290 1.00 1.10 O ATOM 166 ND2 ASN A 11 1.235 12.189 -6.054 1.00 1.38 N ATOM 0 H ASN A 11 4.236 11.135 -4.434 1.00 0.63 H new ATOM 0 HA ASN A 11 2.485 10.188 -3.457 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.866 9.778 -6.375 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.787 9.120 -5.161 1.00 0.71 H new ATOM 0 HD21 ASN A 11 0.825 13.121 -5.999 1.00 1.38 H new ATOM 0 HD22 ASN A 11 1.919 11.974 -6.780 1.00 1.38 H new ATOM 173 N LYS A 12 4.091 7.888 -3.544 1.00 0.45 N ATOM 174 CA LYS A 12 4.423 6.506 -3.242 1.00 0.43 C ATOM 175 C LYS A 12 5.510 6.419 -2.180 1.00 0.46 C ATOM 176 O LYS A 12 6.095 7.429 -1.787 1.00 0.55 O ATOM 177 CB LYS A 12 4.901 5.792 -4.510 1.00 0.50 C ATOM 178 CG LYS A 12 6.260 6.270 -5.003 1.00 0.65 C ATOM 179 CD LYS A 12 6.879 5.289 -5.985 1.00 0.59 C ATOM 180 CE LYS A 12 8.268 5.729 -6.413 1.00 0.73 C ATOM 181 NZ LYS A 12 8.818 4.870 -7.492 1.00 0.94 N ATOM 0 H LYS A 12 4.805 8.565 -3.275 1.00 0.45 H new ATOM 0 HA LYS A 12 3.523 6.023 -2.861 1.00 0.43 H new ATOM 0 HB2 LYS A 12 4.950 4.720 -4.317 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.165 5.940 -5.300 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.152 7.244 -5.481 1.00 0.65 H new ATOM 0 HG3 LYS A 12 6.929 6.405 -4.153 1.00 0.65 H new ATOM 0 HD2 LYS A 12 6.934 4.301 -5.528 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.239 5.199 -6.862 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.231 6.763 -6.757 1.00 0.73 H new ATOM 0 HE3 LYS A 12 8.937 5.703 -5.553 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 9.770 4.546 -7.227 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.198 4.046 -7.630 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 8.872 5.415 -8.376 1.00 0.94 H new ATOM 195 N PHE A 13 5.766 5.205 -1.728 1.00 0.46 N ATOM 196 CA PHE A 13 6.800 4.935 -0.741 1.00 0.50 C ATOM 197 C PHE A 13 7.621 3.751 -1.223 1.00 0.50 C ATOM 198 O PHE A 13 7.060 2.711 -1.573 1.00 0.46 O ATOM 199 CB PHE A 13 6.198 4.625 0.633 1.00 0.51 C ATOM 200 CG PHE A 13 5.593 5.812 1.333 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.394 6.835 1.820 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.224 5.897 1.515 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.836 7.919 2.474 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.661 6.977 2.169 1.00 0.59 C ATOM 205 CZ PHE A 13 4.469 7.990 2.649 1.00 0.65 C ATOM 0 H PHE A 13 5.261 4.374 -2.035 1.00 0.46 H new ATOM 0 HA PHE A 13 7.426 5.820 -0.631 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.431 3.859 0.515 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.976 4.202 1.269 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.465 6.785 1.687 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.587 5.109 1.141 1.00 0.54 H new ATOM 0 HE1 PHE A 13 6.470 8.709 2.847 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.591 7.029 2.305 1.00 0.59 H new ATOM 0 HZ PHE A 13 4.032 8.835 3.160 1.00 0.65 H new ATOM 215 N TYR A 14 8.932 3.900 -1.263 1.00 0.60 N ATOM 216 CA TYR A 14 9.790 2.820 -1.726 1.00 0.64 C ATOM 217 C TYR A 14 11.051 2.716 -0.881 1.00 0.69 C ATOM 218 O TYR A 14 11.499 3.696 -0.285 1.00 0.75 O ATOM 219 CB TYR A 14 10.148 3.007 -3.208 1.00 0.67 C ATOM 220 CG TYR A 14 11.054 4.188 -3.500 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.571 5.488 -3.436 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.388 4.001 -3.838 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.391 6.568 -3.698 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.215 5.075 -4.102 1.00 1.04 C ATOM 225 CZ TYR A 14 12.719 6.349 -4.031 1.00 1.03 C ATOM 226 OH TYR A 14 13.527 7.427 -4.307 1.00 1.16 O ATOM 0 H TYR A 14 9.424 4.749 -0.984 1.00 0.60 H new ATOM 0 HA TYR A 14 9.236 1.887 -1.619 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.631 2.099 -3.568 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.226 3.125 -3.778 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.536 5.658 -3.177 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.785 2.998 -3.895 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.001 7.574 -3.644 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.250 4.910 -4.364 1.00 1.04 H new ATOM 0 HH TYR A 14 14.430 7.112 -4.522 1.00 1.16 H new ATOM 236 N ILE A 15 11.597 1.509 -0.820 1.00 0.71 N ATOM 237 CA ILE A 15 12.806 1.232 -0.060 1.00 0.78 C ATOM 238 C ILE A 15 13.749 0.379 -0.899 1.00 0.92 C ATOM 239 O ILE A 15 13.316 -0.583 -1.530 1.00 0.92 O ATOM 240 CB ILE A 15 12.493 0.473 1.250 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.474 1.241 2.096 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.768 0.233 2.045 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.887 0.422 3.226 1.00 0.71 C ATOM 0 H ILE A 15 11.213 0.694 -1.297 1.00 0.71 H new ATOM 0 HA ILE A 15 13.266 2.188 0.191 1.00 0.78 H new ATOM 0 HB ILE A 15 12.060 -0.492 0.987 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.953 2.128 2.511 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.666 1.588 1.451 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.529 -0.302 2.964 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.462 -0.360 1.450 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.228 1.190 2.292 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.174 1.029 3.783 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.379 -0.451 2.817 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.686 0.097 3.893 1.00 0.71 H new ATOM 255 N GLY A 16 15.024 0.731 -0.922 1.00 1.09 N ATOM 256 CA GLY A 16 15.978 -0.041 -1.689 1.00 1.26 C ATOM 257 C GLY A 16 17.308 0.659 -1.834 1.00 1.42 C ATOM 258 O GLY A 16 17.559 1.668 -1.177 1.00 1.52 O ATOM 0 H GLY A 16 15.414 1.533 -0.427 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.130 -1.006 -1.207 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.567 -0.241 -2.679 1.00 1.26 H new ATOM 262 N ASP A 17 18.160 0.118 -2.694 1.00 1.55 N ATOM 263 CA ASP A 17 19.482 0.688 -2.943 1.00 1.74 C ATOM 264 C ASP A 17 19.366 1.896 -3.859 1.00 1.66 C ATOM 265 O ASP A 17 20.138 2.851 -3.761 1.00 1.78 O ATOM 266 CB ASP A 17 20.395 -0.364 -3.587 1.00 1.95 C ATOM 267 CG ASP A 17 21.725 0.203 -4.059 1.00 2.20 C ATOM 268 OD1 ASP A 17 21.799 0.664 -5.220 1.00 2.14 O ATOM 269 OD2 ASP A 17 22.695 0.202 -3.272 1.00 2.62 O ATOM 0 H ASP A 17 17.959 -0.722 -3.236 1.00 1.55 H new ATOM 0 HA ASP A 17 19.913 1.002 -1.992 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.582 -1.162 -2.868 1.00 1.95 H new ATOM 0 HB3 ASP A 17 19.878 -0.814 -4.435 1.00 1.95 H new ATOM 274 N ASP A 18 18.373 1.845 -4.728 1.00 1.53 N ATOM 275 CA ASP A 18 18.121 2.899 -5.699 1.00 1.48 C ATOM 276 C ASP A 18 16.672 2.798 -6.165 1.00 1.37 C ATOM 277 O ASP A 18 15.996 1.825 -5.832 1.00 1.29 O ATOM 278 CB ASP A 18 19.094 2.737 -6.882 1.00 1.53 C ATOM 279 CG ASP A 18 18.845 3.710 -8.018 1.00 1.47 C ATOM 280 OD1 ASP A 18 19.276 4.873 -7.915 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.219 3.306 -9.020 1.00 1.41 O ATOM 0 H ASP A 18 17.714 1.068 -4.782 1.00 1.53 H new ATOM 0 HA ASP A 18 18.280 3.881 -5.254 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.114 2.868 -6.521 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.019 1.719 -7.265 1.00 1.53 H new ATOM 286 N GLU A 19 16.193 3.786 -6.911 1.00 1.41 N ATOM 287 CA GLU A 19 14.827 3.765 -7.424 1.00 1.38 C ATOM 288 C GLU A 19 14.611 2.521 -8.292 1.00 1.34 C ATOM 289 O GLU A 19 13.540 1.912 -8.280 1.00 1.34 O ATOM 290 CB GLU A 19 14.554 5.041 -8.231 1.00 1.49 C ATOM 291 CG GLU A 19 13.160 5.110 -8.836 1.00 1.76 C ATOM 292 CD GLU A 19 12.070 5.307 -7.800 1.00 2.08 C ATOM 293 OE1 GLU A 19 11.880 6.451 -7.338 1.00 2.43 O ATOM 294 OE2 GLU A 19 11.383 4.321 -7.461 1.00 2.72 O ATOM 0 H GLU A 19 16.730 4.612 -7.175 1.00 1.41 H new ATOM 0 HA GLU A 19 14.130 3.726 -6.587 1.00 1.38 H new ATOM 0 HB2 GLU A 19 14.700 5.905 -7.583 1.00 1.49 H new ATOM 0 HB3 GLU A 19 15.290 5.115 -9.032 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.122 5.929 -9.554 1.00 1.76 H new ATOM 0 HG3 GLU A 19 12.965 4.191 -9.390 1.00 1.76 H new ATOM 301 N ASN A 20 15.650 2.130 -9.025 1.00 1.37 N ATOM 302 CA ASN A 20 15.576 0.954 -9.885 1.00 1.39 C ATOM 303 C ASN A 20 15.919 -0.299 -9.090 1.00 1.40 C ATOM 304 O ASN A 20 15.520 -1.410 -9.443 1.00 1.52 O ATOM 305 CB ASN A 20 16.526 1.103 -11.074 1.00 1.48 C ATOM 306 CG ASN A 20 16.380 -0.023 -12.078 1.00 2.08 C ATOM 307 OD1 ASN A 20 15.456 -0.023 -12.893 1.00 2.92 O ATOM 308 ND2 ASN A 20 17.295 -0.983 -12.038 1.00 2.15 N ATOM 0 H ASN A 20 16.550 2.609 -9.040 1.00 1.37 H new ATOM 0 HA ASN A 20 14.558 0.862 -10.264 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.336 2.055 -11.570 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.554 1.132 -10.712 1.00 1.48 H new ATOM 0 HD21 ASN A 20 17.249 -1.759 -12.698 1.00 2.15 H new ATOM 0 HD22 ASN A 20 18.044 -0.945 -11.347 1.00 2.15 H new ATOM 315 N ASN A 21 16.646 -0.106 -8.001 1.00 1.36 N ATOM 316 CA ASN A 21 17.054 -1.207 -7.138 1.00 1.38 C ATOM 317 C ASN A 21 16.158 -1.249 -5.908 1.00 1.25 C ATOM 318 O ASN A 21 16.630 -1.396 -4.776 1.00 1.23 O ATOM 319 CB ASN A 21 18.524 -1.056 -6.718 1.00 1.54 C ATOM 320 CG ASN A 21 19.481 -1.061 -7.895 1.00 1.92 C ATOM 321 OD1 ASN A 21 19.170 -1.586 -8.964 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.656 -0.477 -7.707 1.00 2.45 N ATOM 0 H ASN A 21 16.969 0.810 -7.691 1.00 1.36 H new ATOM 0 HA ASN A 21 16.954 -2.141 -7.691 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.644 -0.125 -6.164 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.787 -1.867 -6.039 1.00 1.54 H new ATOM 0 HD21 ASN A 21 21.340 -0.452 -8.463 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.876 -0.053 -6.806 1.00 2.45 H new ATOM 329 N ALA A 22 14.859 -1.095 -6.140 1.00 1.19 N ATOM 330 CA ALA A 22 13.874 -1.103 -5.069 1.00 1.09 C ATOM 331 C ALA A 22 13.667 -2.509 -4.520 1.00 1.06 C ATOM 332 O ALA A 22 13.482 -3.465 -5.275 1.00 1.14 O ATOM 333 CB ALA A 22 12.553 -0.524 -5.560 1.00 1.04 C ATOM 0 H ALA A 22 14.463 -0.962 -7.070 1.00 1.19 H new ATOM 0 HA ALA A 22 14.252 -0.479 -4.259 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.826 -0.537 -4.748 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.707 0.502 -5.893 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.180 -1.123 -6.391 1.00 1.04 H new ATOM 339 N LEU A 23 13.710 -2.626 -3.203 1.00 0.99 N ATOM 340 CA LEU A 23 13.516 -3.905 -2.533 1.00 0.99 C ATOM 341 C LEU A 23 12.065 -4.035 -2.088 1.00 0.87 C ATOM 342 O LEU A 23 11.593 -5.119 -1.753 1.00 0.95 O ATOM 343 CB LEU A 23 14.451 -4.022 -1.326 1.00 1.05 C ATOM 344 CG LEU A 23 15.945 -4.028 -1.658 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.770 -3.761 -0.407 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.347 -5.355 -2.286 1.00 1.37 C ATOM 0 H LEU A 23 13.879 -1.844 -2.570 1.00 0.99 H new ATOM 0 HA LEU A 23 13.751 -4.710 -3.230 1.00 0.99 H new ATOM 0 HB2 LEU A 23 14.249 -3.193 -0.648 1.00 1.05 H new ATOM 0 HB3 LEU A 23 14.211 -4.939 -0.788 1.00 1.05 H new ATOM 0 HG LEU A 23 16.140 -3.233 -2.377 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.830 -3.769 -0.662 1.00 1.39 H new ATOM 0 HD12 LEU A 23 16.503 -2.788 0.004 1.00 1.39 H new ATOM 0 HD13 LEU A 23 16.569 -4.535 0.334 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.412 -5.341 -2.515 1.00 1.37 H new ATOM 0 HD22 LEU A 23 16.137 -6.166 -1.589 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.780 -5.510 -3.204 1.00 1.37 H new ATOM 358 N ALA A 24 11.373 -2.908 -2.085 1.00 0.77 N ATOM 359 CA ALA A 24 9.973 -2.845 -1.702 1.00 0.66 C ATOM 360 C ALA A 24 9.394 -1.517 -2.157 1.00 0.60 C ATOM 361 O ALA A 24 10.028 -0.475 -1.985 1.00 0.67 O ATOM 362 CB ALA A 24 9.819 -3.008 -0.197 1.00 0.71 C ATOM 0 H ALA A 24 11.769 -2.006 -2.350 1.00 0.77 H new ATOM 0 HA ALA A 24 9.431 -3.660 -2.181 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.763 -2.958 0.068 1.00 0.71 H new ATOM 0 HB2 ALA A 24 10.224 -3.973 0.108 1.00 0.71 H new ATOM 0 HB3 ALA A 24 10.359 -2.210 0.313 1.00 0.71 H new ATOM 368 N GLU A 25 8.211 -1.545 -2.747 1.00 0.54 N ATOM 369 CA GLU A 25 7.589 -0.321 -3.231 1.00 0.52 C ATOM 370 C GLU A 25 6.067 -0.426 -3.262 1.00 0.43 C ATOM 371 O GLU A 25 5.503 -1.425 -3.719 1.00 0.45 O ATOM 372 CB GLU A 25 8.114 0.003 -4.632 1.00 0.65 C ATOM 373 CG GLU A 25 7.471 1.229 -5.263 1.00 0.84 C ATOM 374 CD GLU A 25 7.708 1.305 -6.753 1.00 0.87 C ATOM 375 OE1 GLU A 25 7.425 0.312 -7.453 1.00 1.02 O ATOM 376 OE2 GLU A 25 8.176 2.352 -7.234 1.00 1.33 O ATOM 0 H GLU A 25 7.665 -2.392 -2.902 1.00 0.54 H new ATOM 0 HA GLU A 25 7.850 0.480 -2.539 1.00 0.52 H new ATOM 0 HB2 GLU A 25 9.192 0.157 -4.579 1.00 0.65 H new ATOM 0 HB3 GLU A 25 7.946 -0.857 -5.280 1.00 0.65 H new ATOM 0 HG2 GLU A 25 6.398 1.213 -5.069 1.00 0.84 H new ATOM 0 HG3 GLU A 25 7.867 2.127 -4.789 1.00 0.84 H new ATOM 383 N ILE A 26 5.417 0.620 -2.775 1.00 0.40 N ATOM 384 CA ILE A 26 3.965 0.699 -2.755 1.00 0.33 C ATOM 385 C ILE A 26 3.529 2.024 -3.380 1.00 0.33 C ATOM 386 O ILE A 26 4.057 3.084 -3.033 1.00 0.38 O ATOM 387 CB ILE A 26 3.404 0.565 -1.316 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.877 0.706 -1.314 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.035 1.593 -0.383 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.237 0.384 0.020 1.00 0.34 C ATOM 0 H ILE A 26 5.882 1.438 -2.382 1.00 0.40 H new ATOM 0 HA ILE A 26 3.563 -0.132 -3.334 1.00 0.33 H new ATOM 0 HB ILE A 26 3.661 -0.429 -0.949 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.615 1.726 -1.596 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.459 0.048 -2.076 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.623 1.476 0.619 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.114 1.442 -0.352 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.820 2.597 -0.749 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.157 0.506 -0.056 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.468 -0.645 0.295 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.626 1.059 0.782 1.00 0.34 H new ATOM 402 N THR A 27 2.596 1.962 -4.322 1.00 0.33 N ATOM 403 CA THR A 27 2.124 3.160 -4.999 1.00 0.35 C ATOM 404 C THR A 27 0.629 3.367 -4.786 1.00 0.37 C ATOM 405 O THR A 27 -0.143 2.404 -4.744 1.00 0.41 O ATOM 406 CB THR A 27 2.413 3.094 -6.513 1.00 0.40 C ATOM 407 OG1 THR A 27 1.928 1.859 -7.056 1.00 0.60 O ATOM 408 CG2 THR A 27 3.902 3.216 -6.794 1.00 0.51 C ATOM 0 H THR A 27 2.153 1.097 -4.633 1.00 0.33 H new ATOM 0 HA THR A 27 2.664 4.002 -4.566 1.00 0.35 H new ATOM 0 HB THR A 27 1.899 3.931 -6.986 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.114 2.027 -7.576 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.075 3.166 -7.869 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.268 4.169 -6.412 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.433 2.400 -6.303 1.00 0.51 H new ATOM 416 N TYR A 28 0.234 4.624 -4.644 1.00 0.39 N ATOM 417 CA TYR A 28 -1.162 4.980 -4.446 1.00 0.45 C ATOM 418 C TYR A 28 -1.458 6.286 -5.173 1.00 0.48 C ATOM 419 O TYR A 28 -0.539 6.976 -5.611 1.00 0.68 O ATOM 420 CB TYR A 28 -1.485 5.111 -2.952 1.00 0.48 C ATOM 421 CG TYR A 28 -0.560 6.047 -2.204 1.00 0.49 C ATOM 422 CD1 TYR A 28 -0.801 7.414 -2.174 1.00 0.59 C ATOM 423 CD2 TYR A 28 0.549 5.561 -1.524 1.00 0.51 C ATOM 424 CE1 TYR A 28 0.039 8.269 -1.489 1.00 0.66 C ATOM 425 CE2 TYR A 28 1.393 6.408 -0.838 1.00 0.60 C ATOM 426 CZ TYR A 28 1.139 7.769 -0.839 1.00 0.65 C ATOM 427 OH TYR A 28 1.971 8.608 -0.137 1.00 0.76 O ATOM 0 H TYR A 28 0.869 5.422 -4.663 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.791 4.189 -4.855 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.510 5.464 -2.842 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.437 4.124 -2.492 1.00 0.48 H new ATOM 0 HD1 TYR A 28 -1.658 7.814 -2.694 1.00 0.59 H new ATOM 0 HD2 TYR A 28 0.754 4.501 -1.533 1.00 0.51 H new ATOM 0 HE1 TYR A 28 -0.169 9.328 -1.465 1.00 0.66 H new ATOM 0 HE2 TYR A 28 2.245 6.013 -0.304 1.00 0.60 H new ATOM 0 HH TYR A 28 2.470 8.091 0.530 1.00 0.76 H new ATOM 437 N ARG A 29 -2.729 6.626 -5.303 1.00 0.42 N ATOM 438 CA ARG A 29 -3.114 7.853 -5.981 1.00 0.48 C ATOM 439 C ARG A 29 -4.443 8.366 -5.457 1.00 0.48 C ATOM 440 O ARG A 29 -5.264 7.592 -4.958 1.00 0.49 O ATOM 441 CB ARG A 29 -3.214 7.613 -7.489 1.00 0.56 C ATOM 442 CG ARG A 29 -2.778 8.798 -8.331 1.00 0.93 C ATOM 443 CD ARG A 29 -1.634 8.424 -9.257 1.00 1.22 C ATOM 444 NE ARG A 29 -0.502 7.859 -8.525 1.00 1.83 N ATOM 445 CZ ARG A 29 0.735 8.350 -8.567 1.00 2.81 C ATOM 446 NH1 ARG A 29 1.010 9.402 -9.328 1.00 3.23 N ATOM 447 NH2 ARG A 29 1.698 7.783 -7.849 1.00 3.63 N ATOM 0 H ARG A 29 -3.510 6.072 -4.950 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.348 8.604 -5.784 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.603 6.749 -7.751 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.245 7.362 -7.739 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.622 9.159 -8.919 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -2.470 9.616 -7.680 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.985 7.703 -9.995 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.307 9.308 -9.805 1.00 1.22 H new ATOM 0 HE ARG A 29 -0.670 7.037 -7.945 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.273 9.837 -9.883 1.00 3.23 H new ATOM 0 HH12 ARG A 29 1.959 9.776 -9.358 1.00 3.23 H new ATOM 0 HH21 ARG A 29 1.490 6.972 -7.266 1.00 3.63 H new ATOM 0 HH22 ARG A 29 2.646 8.158 -7.880 1.00 3.63 H new ATOM 461 N PHE A 30 -4.644 9.669 -5.571 1.00 0.56 N ATOM 462 CA PHE A 30 -5.881 10.293 -5.127 1.00 0.60 C ATOM 463 C PHE A 30 -6.951 10.095 -6.188 1.00 0.68 C ATOM 464 O PHE A 30 -6.943 10.764 -7.220 1.00 0.83 O ATOM 465 CB PHE A 30 -5.674 11.788 -4.857 1.00 0.66 C ATOM 466 CG PHE A 30 -5.058 12.089 -3.519 1.00 0.66 C ATOM 467 CD1 PHE A 30 -5.829 12.085 -2.369 1.00 0.72 C ATOM 468 CD2 PHE A 30 -3.707 12.374 -3.416 1.00 0.70 C ATOM 469 CE1 PHE A 30 -5.266 12.365 -1.140 1.00 0.80 C ATOM 470 CE2 PHE A 30 -3.138 12.654 -2.189 1.00 0.77 C ATOM 471 CZ PHE A 30 -3.921 12.638 -1.046 1.00 0.82 C ATOM 0 H PHE A 30 -3.964 10.317 -5.969 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.198 9.825 -4.195 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.039 12.203 -5.639 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.636 12.295 -4.925 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -6.883 11.860 -2.434 1.00 0.72 H new ATOM 0 HD2 PHE A 30 -3.092 12.377 -4.304 1.00 0.70 H new ATOM 0 HE1 PHE A 30 -5.881 12.370 -0.252 1.00 0.80 H new ATOM 0 HE2 PHE A 30 -2.085 12.885 -2.121 1.00 0.77 H new ATOM 0 HZ PHE A 30 -3.476 12.840 -0.083 1.00 0.82 H new ATOM 481 N VAL A 31 -7.860 9.164 -5.942 1.00 0.62 N ATOM 482 CA VAL A 31 -8.919 8.872 -6.895 1.00 0.70 C ATOM 483 C VAL A 31 -10.021 9.924 -6.850 1.00 0.73 C ATOM 484 O VAL A 31 -10.646 10.221 -7.869 1.00 0.83 O ATOM 485 CB VAL A 31 -9.534 7.476 -6.670 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.533 6.390 -7.033 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.011 7.309 -5.233 1.00 0.67 C ATOM 0 H VAL A 31 -7.886 8.599 -5.093 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.452 8.889 -7.880 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.402 7.381 -7.322 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -8.983 5.411 -6.868 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.253 6.489 -8.082 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.645 6.491 -6.409 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.440 6.315 -5.105 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.168 7.431 -4.553 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.767 8.062 -5.011 1.00 0.67 H new ATOM 497 N ASP A 32 -10.256 10.496 -5.676 1.00 0.72 N ATOM 498 CA ASP A 32 -11.295 11.504 -5.545 1.00 0.84 C ATOM 499 C ASP A 32 -10.786 12.748 -4.825 1.00 0.97 C ATOM 500 O ASP A 32 -10.296 13.676 -5.466 1.00 1.74 O ATOM 501 CB ASP A 32 -12.529 10.939 -4.838 1.00 0.84 C ATOM 502 CG ASP A 32 -13.727 11.854 -4.989 1.00 0.97 C ATOM 503 OD1 ASP A 32 -14.349 11.856 -6.070 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.061 12.569 -4.017 1.00 1.16 O ATOM 0 H ASP A 32 -9.750 10.283 -4.816 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.584 11.799 -6.554 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.766 9.957 -5.248 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.310 10.798 -3.780 1.00 0.84 H new ATOM 509 N ASN A 33 -10.882 12.774 -3.501 1.00 0.89 N ATOM 510 CA ASN A 33 -10.438 13.938 -2.742 1.00 0.95 C ATOM 511 C ASN A 33 -9.449 13.558 -1.654 1.00 0.84 C ATOM 512 O ASN A 33 -8.324 14.054 -1.628 1.00 1.07 O ATOM 513 CB ASN A 33 -11.639 14.663 -2.133 1.00 1.09 C ATOM 514 CG ASN A 33 -12.289 15.620 -3.114 1.00 1.82 C ATOM 515 OD1 ASN A 33 -11.908 16.786 -3.205 1.00 2.09 O ATOM 516 ND2 ASN A 33 -13.267 15.135 -3.861 1.00 2.72 N ATOM 0 H ASN A 33 -11.258 12.013 -2.936 1.00 0.89 H new ATOM 0 HA ASN A 33 -9.927 14.607 -3.435 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -12.374 13.930 -1.802 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.318 15.214 -1.249 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -13.734 15.734 -4.542 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -13.554 14.162 -3.756 1.00 2.72 H new ATOM 523 N ASN A 34 -9.860 12.674 -0.758 1.00 0.73 N ATOM 524 CA ASN A 34 -8.992 12.247 0.334 1.00 0.86 C ATOM 525 C ASN A 34 -8.792 10.747 0.287 1.00 0.88 C ATOM 526 O ASN A 34 -8.174 10.156 1.171 1.00 1.22 O ATOM 527 CB ASN A 34 -9.585 12.640 1.693 1.00 1.01 C ATOM 528 CG ASN A 34 -9.796 14.135 1.831 1.00 1.35 C ATOM 529 OD1 ASN A 34 -8.868 14.879 2.155 1.00 1.84 O ATOM 530 ND2 ASN A 34 -11.020 14.583 1.597 1.00 1.83 N ATOM 0 H ASN A 34 -10.783 12.239 -0.763 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.031 12.747 0.214 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -10.538 12.129 1.830 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -8.922 12.296 2.487 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -11.224 15.579 1.683 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -11.759 13.932 1.331 1.00 1.83 H new ATOM 537 N GLU A 35 -9.333 10.138 -0.749 1.00 0.64 N ATOM 538 CA GLU A 35 -9.243 8.703 -0.928 1.00 0.62 C ATOM 539 C GLU A 35 -8.059 8.328 -1.811 1.00 0.57 C ATOM 540 O GLU A 35 -7.997 8.707 -2.985 1.00 0.59 O ATOM 541 CB GLU A 35 -10.548 8.177 -1.533 1.00 0.68 C ATOM 542 CG GLU A 35 -11.770 8.462 -0.672 1.00 1.01 C ATOM 543 CD GLU A 35 -12.542 9.690 -1.115 1.00 1.41 C ATOM 544 OE1 GLU A 35 -11.902 10.741 -1.334 1.00 2.25 O ATOM 545 OE2 GLU A 35 -13.786 9.612 -1.264 1.00 1.47 O ATOM 0 H GLU A 35 -9.845 10.621 -1.487 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.086 8.243 0.048 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.692 8.627 -2.515 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.462 7.101 -1.684 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.432 7.597 -0.696 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.454 8.594 0.363 1.00 1.01 H new ATOM 552 N ILE A 36 -7.119 7.598 -1.232 1.00 0.52 N ATOM 553 CA ILE A 36 -5.943 7.143 -1.955 1.00 0.48 C ATOM 554 C ILE A 36 -6.057 5.653 -2.227 1.00 0.46 C ATOM 555 O ILE A 36 -6.250 4.855 -1.310 1.00 0.53 O ATOM 556 CB ILE A 36 -4.630 7.429 -1.191 1.00 0.47 C ATOM 557 CG1 ILE A 36 -4.798 7.167 0.311 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.179 8.859 -1.441 1.00 0.51 C ATOM 559 CD1 ILE A 36 -3.500 7.234 1.087 1.00 0.51 C ATOM 0 H ILE A 36 -7.149 7.306 -0.255 1.00 0.52 H new ATOM 0 HA ILE A 36 -5.903 7.699 -2.891 1.00 0.48 H new ATOM 0 HB ILE A 36 -3.862 6.751 -1.563 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -5.496 7.896 0.723 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.245 6.183 0.452 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.253 9.049 -0.898 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.010 9.006 -2.508 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -4.950 9.549 -1.097 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -3.696 7.039 2.141 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.807 6.486 0.702 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.061 8.226 0.977 1.00 0.51 H new ATOM 571 N ASN A 37 -5.953 5.282 -3.491 1.00 0.44 N ATOM 572 CA ASN A 37 -6.069 3.886 -3.881 1.00 0.46 C ATOM 573 C ASN A 37 -4.719 3.288 -4.249 1.00 0.42 C ATOM 574 O ASN A 37 -3.961 3.874 -5.020 1.00 0.50 O ATOM 575 CB ASN A 37 -7.032 3.743 -5.061 1.00 0.54 C ATOM 576 CG ASN A 37 -7.042 2.337 -5.633 1.00 0.86 C ATOM 577 OD1 ASN A 37 -7.656 1.433 -5.072 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.365 2.142 -6.754 1.00 0.98 N ATOM 0 H ASN A 37 -5.789 5.926 -4.265 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.458 3.340 -3.022 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -8.039 4.008 -4.739 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.751 4.448 -5.843 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -6.341 1.216 -7.181 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.867 2.918 -7.191 1.00 0.98 H new ATOM 585 N ILE A 38 -4.428 2.123 -3.684 1.00 0.36 N ATOM 586 CA ILE A 38 -3.188 1.418 -3.963 1.00 0.33 C ATOM 587 C ILE A 38 -3.338 0.603 -5.243 1.00 0.41 C ATOM 588 O ILE A 38 -4.197 -0.283 -5.335 1.00 0.53 O ATOM 589 CB ILE A 38 -2.794 0.485 -2.797 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.750 1.267 -1.479 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.449 -0.174 -3.072 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.689 0.383 -0.250 1.00 0.69 C ATOM 0 H ILE A 38 -5.042 1.645 -3.024 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.398 2.159 -4.085 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.548 -0.297 -2.710 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.881 1.925 -1.486 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.632 1.904 -1.415 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.187 -0.828 -2.240 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.512 -0.761 -3.989 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.684 0.594 -3.184 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.660 1.005 0.645 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.570 -0.258 -0.218 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.792 -0.235 -0.291 1.00 0.69 H new ATOM 604 N ASP A 39 -2.508 0.910 -6.230 1.00 0.52 N ATOM 605 CA ASP A 39 -2.565 0.226 -7.516 1.00 0.73 C ATOM 606 C ASP A 39 -1.463 -0.819 -7.655 1.00 0.50 C ATOM 607 O ASP A 39 -1.615 -1.791 -8.394 1.00 0.64 O ATOM 608 CB ASP A 39 -2.456 1.240 -8.663 1.00 1.08 C ATOM 609 CG ASP A 39 -1.051 1.792 -8.836 1.00 1.73 C ATOM 610 OD1 ASP A 39 -0.507 2.368 -7.870 1.00 2.47 O ATOM 611 OD2 ASP A 39 -0.479 1.648 -9.935 1.00 2.16 O ATOM 0 H ASP A 39 -1.787 1.628 -6.166 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.525 -0.287 -7.566 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -2.771 0.765 -9.592 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -3.144 2.065 -8.478 1.00 1.08 H new ATOM 616 N HIS A 40 -0.360 -0.630 -6.944 1.00 0.37 N ATOM 617 CA HIS A 40 0.754 -1.563 -7.033 1.00 0.44 C ATOM 618 C HIS A 40 1.448 -1.747 -5.682 1.00 0.39 C ATOM 619 O HIS A 40 1.710 -0.783 -4.961 1.00 0.42 O ATOM 620 CB HIS A 40 1.733 -1.080 -8.123 1.00 0.72 C ATOM 621 CG HIS A 40 3.188 -1.346 -7.863 1.00 0.72 C ATOM 622 ND1 HIS A 40 3.806 -2.538 -8.162 1.00 1.59 N ATOM 623 CD2 HIS A 40 4.151 -0.545 -7.353 1.00 0.92 C ATOM 624 CE1 HIS A 40 5.086 -2.459 -7.847 1.00 2.12 C ATOM 625 NE2 HIS A 40 5.323 -1.257 -7.356 1.00 1.64 N ATOM 0 H HIS A 40 -0.213 0.152 -6.306 1.00 0.37 H new ATOM 0 HA HIS A 40 0.373 -2.545 -7.313 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.460 -1.554 -9.066 1.00 0.72 H new ATOM 0 HB3 HIS A 40 1.598 -0.007 -8.256 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.021 0.470 -7.007 1.00 0.92 H new ATOM 0 HE1 HIS A 40 5.816 -3.245 -7.970 1.00 2.12 H new ATOM 0 HE2 HIS A 40 6.228 -0.915 -7.032 1.00 1.64 H new ATOM 634 N THR A 41 1.728 -3.001 -5.355 1.00 0.41 N ATOM 635 CA THR A 41 2.400 -3.355 -4.114 1.00 0.45 C ATOM 636 C THR A 41 3.379 -4.498 -4.365 1.00 0.54 C ATOM 637 O THR A 41 2.971 -5.650 -4.515 1.00 0.73 O ATOM 638 CB THR A 41 1.385 -3.784 -3.036 1.00 0.48 C ATOM 639 OG1 THR A 41 0.094 -3.222 -3.326 1.00 0.48 O ATOM 640 CG2 THR A 41 1.841 -3.342 -1.652 1.00 0.55 C ATOM 0 H THR A 41 1.495 -3.801 -5.943 1.00 0.41 H new ATOM 0 HA THR A 41 2.937 -2.476 -3.757 1.00 0.45 H new ATOM 0 HB THR A 41 1.317 -4.872 -3.045 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.164 -2.245 -3.368 1.00 0.48 H new ATOM 0 HG21 THR A 41 1.108 -3.657 -0.910 1.00 0.55 H new ATOM 0 HG22 THR A 41 2.806 -3.796 -1.425 1.00 0.55 H new ATOM 0 HG23 THR A 41 1.937 -2.256 -1.630 1.00 0.55 H new ATOM 648 N GLY A 42 4.665 -4.183 -4.424 1.00 0.55 N ATOM 649 CA GLY A 42 5.657 -5.206 -4.677 1.00 0.66 C ATOM 650 C GLY A 42 6.773 -5.205 -3.656 1.00 0.64 C ATOM 651 O GLY A 42 7.263 -4.144 -3.263 1.00 0.70 O ATOM 0 H GLY A 42 5.037 -3.241 -4.302 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.173 -6.183 -4.679 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.080 -5.058 -5.671 1.00 0.66 H new ATOM 655 N VAL A 43 7.161 -6.394 -3.215 1.00 0.67 N ATOM 656 CA VAL A 43 8.228 -6.554 -2.238 1.00 0.71 C ATOM 657 C VAL A 43 9.162 -7.670 -2.687 1.00 0.74 C ATOM 658 O VAL A 43 8.710 -8.753 -3.063 1.00 0.82 O ATOM 659 CB VAL A 43 7.688 -6.877 -0.821 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.828 -6.963 0.188 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.661 -5.840 -0.380 1.00 0.80 C ATOM 0 H VAL A 43 6.746 -7.273 -3.524 1.00 0.67 H new ATOM 0 HA VAL A 43 8.762 -5.606 -2.179 1.00 0.71 H new ATOM 0 HB VAL A 43 7.195 -7.848 -0.864 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.424 -7.190 1.175 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.520 -7.750 -0.111 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.356 -6.010 0.223 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.297 -6.089 0.617 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.125 -4.854 -0.361 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.825 -5.835 -1.080 1.00 0.80 H new ATOM 671 N SER A 44 10.456 -7.402 -2.650 1.00 0.82 N ATOM 672 CA SER A 44 11.454 -8.371 -3.065 1.00 0.90 C ATOM 673 C SER A 44 11.472 -9.576 -2.135 1.00 1.01 C ATOM 674 O SER A 44 11.390 -9.442 -0.914 1.00 1.32 O ATOM 675 CB SER A 44 12.836 -7.718 -3.094 1.00 1.27 C ATOM 676 OG SER A 44 13.847 -8.637 -3.476 1.00 1.83 O ATOM 0 H SER A 44 10.842 -6.512 -2.334 1.00 0.82 H new ATOM 0 HA SER A 44 11.194 -8.716 -4.066 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.827 -6.879 -3.790 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.067 -7.313 -2.109 1.00 1.27 H new ATOM 0 HG SER A 44 14.715 -8.183 -3.485 1.00 1.83 H new ATOM 759 N GLY A 51 8.039 -8.868 5.360 1.00 1.01 N ATOM 760 CA GLY A 51 7.336 -8.068 6.339 1.00 1.11 C ATOM 761 C GLY A 51 7.427 -6.597 6.022 1.00 0.88 C ATOM 762 O GLY A 51 6.631 -5.797 6.513 1.00 0.86 O ATOM 0 HA2 GLY A 51 6.289 -8.370 6.372 1.00 1.11 H new ATOM 0 HA3 GLY A 51 7.753 -8.254 7.329 1.00 1.11 H new ATOM 766 N VAL A 52 8.392 -6.244 5.177 1.00 0.80 N ATOM 767 CA VAL A 52 8.598 -4.860 4.771 1.00 0.68 C ATOM 768 C VAL A 52 7.332 -4.294 4.129 1.00 0.58 C ATOM 769 O VAL A 52 7.035 -3.108 4.259 1.00 0.56 O ATOM 770 CB VAL A 52 9.781 -4.731 3.787 1.00 0.70 C ATOM 771 CG1 VAL A 52 10.112 -3.268 3.527 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.001 -5.463 4.321 1.00 1.14 C ATOM 0 H VAL A 52 9.047 -6.904 4.758 1.00 0.80 H new ATOM 0 HA VAL A 52 8.833 -4.288 5.669 1.00 0.68 H new ATOM 0 HB VAL A 52 9.487 -5.188 2.842 1.00 0.70 H new ATOM 0 HG11 VAL A 52 10.948 -3.202 2.831 1.00 0.91 H new ATOM 0 HG12 VAL A 52 9.243 -2.769 3.098 1.00 0.91 H new ATOM 0 HG13 VAL A 52 10.382 -2.784 4.465 1.00 0.91 H new ATOM 0 HG21 VAL A 52 11.825 -5.361 3.614 1.00 1.14 H new ATOM 0 HG22 VAL A 52 11.291 -5.035 5.281 1.00 1.14 H new ATOM 0 HG23 VAL A 52 10.764 -6.519 4.452 1.00 1.14 H new ATOM 782 N GLY A 53 6.574 -5.161 3.461 1.00 0.59 N ATOM 783 CA GLY A 53 5.339 -4.738 2.825 1.00 0.58 C ATOM 784 C GLY A 53 4.330 -4.219 3.832 1.00 0.51 C ATOM 785 O GLY A 53 3.624 -3.245 3.570 1.00 0.50 O ATOM 0 H GLY A 53 6.795 -6.151 3.349 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.556 -3.959 2.094 1.00 0.58 H new ATOM 0 HA3 GLY A 53 4.907 -5.576 2.278 1.00 0.58 H new ATOM 789 N LYS A 54 4.277 -4.862 4.996 1.00 0.52 N ATOM 790 CA LYS A 54 3.362 -4.453 6.053 1.00 0.50 C ATOM 791 C LYS A 54 3.830 -3.136 6.658 1.00 0.48 C ATOM 792 O LYS A 54 3.020 -2.295 7.045 1.00 0.48 O ATOM 793 CB LYS A 54 3.263 -5.527 7.142 1.00 0.59 C ATOM 794 CG LYS A 54 2.046 -6.429 7.002 1.00 0.75 C ATOM 795 CD LYS A 54 1.762 -7.190 8.289 1.00 1.08 C ATOM 796 CE LYS A 54 0.479 -7.999 8.195 1.00 1.49 C ATOM 797 NZ LYS A 54 -0.073 -8.306 9.538 1.00 2.02 N ATOM 0 H LYS A 54 4.857 -5.668 5.229 1.00 0.52 H new ATOM 0 HA LYS A 54 2.371 -4.320 5.618 1.00 0.50 H new ATOM 0 HB2 LYS A 54 4.164 -6.140 7.118 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.234 -5.041 8.117 1.00 0.59 H new ATOM 0 HG2 LYS A 54 1.176 -5.829 6.734 1.00 0.75 H new ATOM 0 HG3 LYS A 54 2.208 -7.136 6.189 1.00 0.75 H new ATOM 0 HD2 LYS A 54 2.596 -7.856 8.509 1.00 1.08 H new ATOM 0 HD3 LYS A 54 1.688 -6.487 9.118 1.00 1.08 H new ATOM 0 HE2 LYS A 54 -0.259 -7.445 7.615 1.00 1.49 H new ATOM 0 HE3 LYS A 54 0.673 -8.928 7.659 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 -0.868 -8.970 9.443 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 0.668 -8.735 10.128 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 -0.406 -7.428 9.985 1.00 2.02 H new ATOM 811 N LYS A 55 5.149 -2.961 6.713 1.00 0.51 N ATOM 812 CA LYS A 55 5.743 -1.745 7.254 1.00 0.54 C ATOM 813 C LYS A 55 5.487 -0.581 6.308 1.00 0.47 C ATOM 814 O LYS A 55 5.251 0.546 6.745 1.00 0.48 O ATOM 815 CB LYS A 55 7.243 -1.935 7.486 1.00 0.65 C ATOM 816 CG LYS A 55 7.564 -3.159 8.329 1.00 1.28 C ATOM 817 CD LYS A 55 9.027 -3.206 8.740 1.00 1.72 C ATOM 818 CE LYS A 55 9.341 -4.485 9.499 1.00 2.30 C ATOM 819 NZ LYS A 55 10.679 -4.442 10.142 1.00 2.57 N ATOM 0 H LYS A 55 5.827 -3.650 6.388 1.00 0.51 H new ATOM 0 HA LYS A 55 5.280 -1.524 8.216 1.00 0.54 H new ATOM 0 HB2 LYS A 55 7.746 -2.022 6.523 1.00 0.65 H new ATOM 0 HB3 LYS A 55 7.644 -1.048 7.976 1.00 0.65 H new ATOM 0 HG2 LYS A 55 6.938 -3.158 9.221 1.00 1.28 H new ATOM 0 HG3 LYS A 55 7.317 -4.060 7.767 1.00 1.28 H new ATOM 0 HD2 LYS A 55 9.659 -3.140 7.854 1.00 1.72 H new ATOM 0 HD3 LYS A 55 9.261 -2.343 9.363 1.00 1.72 H new ATOM 0 HE2 LYS A 55 8.579 -4.650 10.261 1.00 2.30 H new ATOM 0 HE3 LYS A 55 9.296 -5.332 8.814 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 10.850 -5.335 10.648 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 11.410 -4.311 9.414 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 10.715 -3.650 10.815 1.00 2.57 H new ATOM 833 N LEU A 56 5.528 -0.861 5.008 1.00 0.46 N ATOM 834 CA LEU A 56 5.263 0.156 4.000 1.00 0.45 C ATOM 835 C LEU A 56 3.812 0.592 4.096 1.00 0.38 C ATOM 836 O LEU A 56 3.505 1.785 4.097 1.00 0.37 O ATOM 837 CB LEU A 56 5.548 -0.377 2.596 1.00 0.54 C ATOM 838 CG LEU A 56 6.986 -0.205 2.106 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.149 -0.809 0.723 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.375 1.264 2.090 1.00 0.85 C ATOM 0 H LEU A 56 5.742 -1.784 4.630 1.00 0.46 H new ATOM 0 HA LEU A 56 5.920 1.006 4.182 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.299 -1.438 2.571 1.00 0.54 H new ATOM 0 HB3 LEU A 56 4.881 0.123 1.894 1.00 0.54 H new ATOM 0 HG LEU A 56 7.648 -0.728 2.796 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.178 -0.679 0.388 1.00 0.86 H new ATOM 0 HD12 LEU A 56 6.911 -1.872 0.760 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.475 -0.311 0.027 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.402 1.365 1.738 1.00 0.85 H new ATOM 0 HD22 LEU A 56 6.708 1.810 1.423 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.295 1.673 3.097 1.00 0.85 H new ATOM 852 N LEU A 57 2.922 -0.391 4.186 1.00 0.37 N ATOM 853 CA LEU A 57 1.501 -0.125 4.313 1.00 0.36 C ATOM 854 C LEU A 57 1.241 0.634 5.609 1.00 0.34 C ATOM 855 O LEU A 57 0.372 1.499 5.672 1.00 0.37 O ATOM 856 CB LEU A 57 0.709 -1.438 4.285 1.00 0.43 C ATOM 857 CG LEU A 57 -0.815 -1.287 4.256 1.00 0.72 C ATOM 858 CD1 LEU A 57 -1.251 -0.411 3.091 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.477 -2.653 4.165 1.00 0.71 C ATOM 0 H LEU A 57 3.165 -1.382 4.173 1.00 0.37 H new ATOM 0 HA LEU A 57 1.171 0.486 3.473 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.017 -2.009 3.409 1.00 0.43 H new ATOM 0 HB3 LEU A 57 0.982 -2.026 5.161 1.00 0.43 H new ATOM 0 HG LEU A 57 -1.128 -0.804 5.181 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.337 -0.319 3.092 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.803 0.578 3.191 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.926 -0.863 2.154 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -2.560 -2.532 4.145 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -1.151 -3.155 3.254 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -1.195 -3.252 5.030 1.00 0.71 H new ATOM 871 N LYS A 58 2.026 0.311 6.634 1.00 0.36 N ATOM 872 CA LYS A 58 1.922 0.966 7.930 1.00 0.42 C ATOM 873 C LYS A 58 2.213 2.454 7.776 1.00 0.41 C ATOM 874 O LYS A 58 1.493 3.293 8.309 1.00 0.44 O ATOM 875 CB LYS A 58 2.906 0.335 8.921 1.00 0.50 C ATOM 876 CG LYS A 58 2.868 0.950 10.311 1.00 0.74 C ATOM 877 CD LYS A 58 3.929 0.342 11.217 1.00 1.10 C ATOM 878 CE LYS A 58 5.317 0.882 10.905 1.00 1.13 C ATOM 879 NZ LYS A 58 5.604 2.138 11.647 1.00 1.39 N ATOM 0 H LYS A 58 2.748 -0.408 6.588 1.00 0.36 H new ATOM 0 HA LYS A 58 0.911 0.838 8.315 1.00 0.42 H new ATOM 0 HB2 LYS A 58 2.691 -0.731 9.001 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.916 0.427 8.522 1.00 0.50 H new ATOM 0 HG2 LYS A 58 3.023 2.026 10.238 1.00 0.74 H new ATOM 0 HG3 LYS A 58 1.882 0.799 10.751 1.00 0.74 H new ATOM 0 HD2 LYS A 58 3.683 0.553 12.258 1.00 1.10 H new ATOM 0 HD3 LYS A 58 3.927 -0.742 11.103 1.00 1.10 H new ATOM 0 HE2 LYS A 58 6.064 0.131 11.160 1.00 1.13 H new ATOM 0 HE3 LYS A 58 5.403 1.066 9.834 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 6.577 2.445 11.446 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 4.938 2.878 11.347 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 5.498 1.970 12.668 1.00 1.39 H new ATOM 893 N ALA A 59 3.266 2.763 7.023 1.00 0.43 N ATOM 894 CA ALA A 59 3.656 4.144 6.773 1.00 0.48 C ATOM 895 C ALA A 59 2.549 4.880 6.031 1.00 0.44 C ATOM 896 O ALA A 59 2.246 6.036 6.332 1.00 0.47 O ATOM 897 CB ALA A 59 4.952 4.195 5.978 1.00 0.56 C ATOM 0 H ALA A 59 3.866 2.070 6.574 1.00 0.43 H new ATOM 0 HA ALA A 59 3.819 4.637 7.731 1.00 0.48 H new ATOM 0 HB1 ALA A 59 5.229 5.234 5.800 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.744 3.700 6.540 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.813 3.688 5.023 1.00 0.56 H new ATOM 903 N VAL A 60 1.947 4.201 5.057 1.00 0.39 N ATOM 904 CA VAL A 60 0.854 4.775 4.286 1.00 0.38 C ATOM 905 C VAL A 60 -0.325 5.067 5.204 1.00 0.37 C ATOM 906 O VAL A 60 -0.907 6.149 5.159 1.00 0.40 O ATOM 907 CB VAL A 60 0.394 3.836 3.148 1.00 0.38 C ATOM 908 CG1 VAL A 60 -0.744 4.461 2.354 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.555 3.503 2.228 1.00 0.41 C ATOM 0 H VAL A 60 2.200 3.251 4.785 1.00 0.39 H new ATOM 0 HA VAL A 60 1.220 5.697 3.835 1.00 0.38 H new ATOM 0 HB VAL A 60 0.031 2.913 3.600 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.050 3.781 1.559 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -1.589 4.649 3.016 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.409 5.402 1.917 1.00 0.44 H new ATOM 0 HG21 VAL A 60 1.211 2.841 1.433 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.948 4.421 1.791 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.341 3.008 2.798 1.00 0.41 H new ATOM 919 N VAL A 61 -0.652 4.097 6.049 1.00 0.36 N ATOM 920 CA VAL A 61 -1.749 4.234 6.995 1.00 0.40 C ATOM 921 C VAL A 61 -1.477 5.375 7.970 1.00 0.44 C ATOM 922 O VAL A 61 -2.358 6.193 8.247 1.00 0.49 O ATOM 923 CB VAL A 61 -1.975 2.921 7.773 1.00 0.43 C ATOM 924 CG1 VAL A 61 -2.921 3.135 8.942 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.502 1.838 6.844 1.00 0.43 C ATOM 0 H VAL A 61 -0.168 3.201 6.097 1.00 0.36 H new ATOM 0 HA VAL A 61 -2.652 4.461 6.428 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.016 2.595 8.176 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.062 2.193 9.473 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -2.498 3.875 9.622 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -3.882 3.491 8.572 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.656 0.918 7.408 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.448 2.160 6.410 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.780 1.659 6.048 1.00 0.43 H new ATOM 935 N GLU A 62 -0.252 5.427 8.478 1.00 0.47 N ATOM 936 CA GLU A 62 0.153 6.473 9.404 1.00 0.54 C ATOM 937 C GLU A 62 -0.007 7.842 8.753 1.00 0.55 C ATOM 938 O GLU A 62 -0.627 8.743 9.318 1.00 0.61 O ATOM 939 CB GLU A 62 1.602 6.259 9.843 1.00 0.61 C ATOM 940 CG GLU A 62 1.760 5.186 10.908 1.00 1.05 C ATOM 941 CD GLU A 62 3.188 5.049 11.390 1.00 1.17 C ATOM 942 OE1 GLU A 62 3.863 6.083 11.567 1.00 1.53 O ATOM 943 OE2 GLU A 62 3.642 3.908 11.613 1.00 1.76 O ATOM 0 H GLU A 62 0.481 4.752 8.262 1.00 0.47 H new ATOM 0 HA GLU A 62 -0.487 6.429 10.285 1.00 0.54 H new ATOM 0 HB2 GLU A 62 2.201 5.988 8.973 1.00 0.61 H new ATOM 0 HB3 GLU A 62 2.001 7.199 10.224 1.00 0.61 H new ATOM 0 HG2 GLU A 62 1.116 5.423 11.755 1.00 1.05 H new ATOM 0 HG3 GLU A 62 1.422 4.230 10.508 1.00 1.05 H new ATOM 950 N HIS A 63 0.534 7.975 7.546 1.00 0.54 N ATOM 951 CA HIS A 63 0.459 9.223 6.796 1.00 0.61 C ATOM 952 C HIS A 63 -0.993 9.584 6.490 1.00 0.61 C ATOM 953 O HIS A 63 -1.388 10.752 6.565 1.00 0.69 O ATOM 954 CB HIS A 63 1.255 9.099 5.493 1.00 0.67 C ATOM 955 CG HIS A 63 1.359 10.378 4.722 1.00 0.78 C ATOM 956 ND1 HIS A 63 2.263 11.367 5.025 1.00 0.85 N ATOM 957 CD2 HIS A 63 0.655 10.828 3.657 1.00 0.97 C ATOM 958 CE1 HIS A 63 2.112 12.372 4.183 1.00 0.97 C ATOM 959 NE2 HIS A 63 1.142 12.071 3.339 1.00 1.04 N ATOM 0 H HIS A 63 1.033 7.227 7.064 1.00 0.54 H new ATOM 0 HA HIS A 63 0.890 10.018 7.405 1.00 0.61 H new ATOM 0 HB2 HIS A 63 2.259 8.743 5.724 1.00 0.67 H new ATOM 0 HB3 HIS A 63 0.786 8.343 4.863 1.00 0.67 H new ATOM 0 HD2 HIS A 63 -0.143 10.305 3.151 1.00 0.97 H new ATOM 0 HE1 HIS A 63 2.686 13.287 4.184 1.00 0.97 H new ATOM 0 HE2 HIS A 63 0.810 12.663 2.578 1.00 1.04 H new ATOM 968 N ALA A 64 -1.777 8.574 6.143 1.00 0.56 N ATOM 969 CA ALA A 64 -3.181 8.766 5.826 1.00 0.62 C ATOM 970 C ALA A 64 -3.942 9.302 7.027 1.00 0.70 C ATOM 971 O ALA A 64 -4.650 10.294 6.914 1.00 0.85 O ATOM 972 CB ALA A 64 -3.801 7.465 5.343 1.00 0.61 C ATOM 0 H ALA A 64 -1.460 7.607 6.074 1.00 0.56 H new ATOM 0 HA ALA A 64 -3.248 9.502 5.025 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -4.853 7.628 5.110 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -3.280 7.124 4.448 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -3.715 6.709 6.124 1.00 0.61 H new ATOM 978 N ARG A 65 -3.768 8.664 8.178 1.00 0.69 N ATOM 979 CA ARG A 65 -4.454 9.084 9.395 1.00 0.82 C ATOM 980 C ARG A 65 -4.091 10.524 9.760 1.00 0.85 C ATOM 981 O ARG A 65 -4.954 11.305 10.153 1.00 0.96 O ATOM 982 CB ARG A 65 -4.115 8.148 10.560 1.00 0.89 C ATOM 983 CG ARG A 65 -5.068 8.274 11.735 1.00 1.36 C ATOM 984 CD ARG A 65 -6.437 7.699 11.403 1.00 1.44 C ATOM 985 NE ARG A 65 -7.527 8.567 11.845 1.00 2.20 N ATOM 986 CZ ARG A 65 -8.731 8.128 12.205 1.00 2.25 C ATOM 987 NH1 ARG A 65 -9.006 6.828 12.187 1.00 1.87 N ATOM 988 NH2 ARG A 65 -9.662 8.996 12.587 1.00 3.12 N ATOM 0 H ARG A 65 -3.158 7.855 8.295 1.00 0.69 H new ATOM 0 HA ARG A 65 -5.526 9.034 9.205 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -4.125 7.118 10.203 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -3.101 8.357 10.901 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -4.653 7.755 12.599 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -5.170 9.323 12.012 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -6.512 7.545 10.327 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -6.541 6.721 11.873 1.00 1.44 H new ATOM 0 HE ARG A 65 -7.354 9.572 11.880 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.292 6.160 11.896 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -9.931 6.498 12.464 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -9.453 9.994 12.603 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -10.586 8.664 12.864 1.00 3.12 H new ATOM 1002 N GLU A 66 -2.816 10.868 9.607 1.00 0.79 N ATOM 1003 CA GLU A 66 -2.336 12.216 9.914 1.00 0.88 C ATOM 1004 C GLU A 66 -3.013 13.266 9.032 1.00 0.89 C ATOM 1005 O GLU A 66 -3.159 14.425 9.421 1.00 1.00 O ATOM 1006 CB GLU A 66 -0.822 12.296 9.719 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.031 11.451 10.701 1.00 1.05 C ATOM 1008 CD GLU A 66 1.453 11.461 10.406 1.00 1.33 C ATOM 1009 OE1 GLU A 66 1.909 10.634 9.591 1.00 1.82 O ATOM 1010 OE2 GLU A 66 2.176 12.295 10.989 1.00 1.38 O ATOM 0 H GLU A 66 -2.093 10.232 9.271 1.00 0.79 H new ATOM 0 HA GLU A 66 -2.586 12.423 10.954 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -0.579 11.980 8.705 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -0.508 13.335 9.813 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.200 11.820 11.712 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -0.398 10.425 10.671 1.00 1.05 H new ATOM 1017 N ASN A 67 -3.427 12.856 7.840 1.00 0.82 N ATOM 1018 CA ASN A 67 -4.074 13.772 6.905 1.00 0.87 C ATOM 1019 C ASN A 67 -5.563 13.460 6.762 1.00 0.89 C ATOM 1020 O ASN A 67 -6.237 14.003 5.885 1.00 0.97 O ATOM 1021 CB ASN A 67 -3.382 13.704 5.541 1.00 0.86 C ATOM 1022 CG ASN A 67 -2.015 14.364 5.544 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -1.874 15.537 5.197 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -0.994 13.613 5.933 1.00 1.09 N ATOM 0 H ASN A 67 -3.328 11.900 7.497 1.00 0.82 H new ATOM 0 HA ASN A 67 -3.982 14.783 7.302 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -3.277 12.661 5.243 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -4.012 14.187 4.794 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -0.052 14.003 5.952 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -1.151 12.645 6.213 1.00 1.09 H new ATOM 1031 N ASN A 68 -6.064 12.582 7.637 1.00 0.88 N ATOM 1032 CA ASN A 68 -7.476 12.170 7.640 1.00 0.94 C ATOM 1033 C ASN A 68 -7.896 11.604 6.281 1.00 0.87 C ATOM 1034 O ASN A 68 -9.040 11.757 5.843 1.00 0.94 O ATOM 1035 CB ASN A 68 -8.382 13.346 8.035 1.00 1.10 C ATOM 1036 CG ASN A 68 -9.788 12.908 8.410 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -9.999 11.797 8.900 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -10.759 13.778 8.184 1.00 2.18 N ATOM 0 H ASN A 68 -5.504 12.136 8.364 1.00 0.88 H new ATOM 0 HA ASN A 68 -7.588 11.378 8.381 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -7.935 13.876 8.876 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -8.435 14.052 7.206 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -11.723 13.539 8.417 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -10.544 14.688 7.777 1.00 2.18 H new ATOM 1045 N LEU A 69 -6.970 10.921 5.629 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.229 10.342 4.322 1.00 0.73 C ATOM 1047 C LEU A 69 -7.837 8.948 4.446 1.00 0.70 C ATOM 1048 O LEU A 69 -7.770 8.313 5.503 1.00 0.70 O ATOM 1049 CB LEU A 69 -5.937 10.271 3.501 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.164 11.587 3.375 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -3.859 11.369 2.628 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.007 12.644 2.674 1.00 0.77 C ATOM 0 H LEU A 69 -6.029 10.754 5.985 1.00 0.78 H new ATOM 0 HA LEU A 69 -7.944 10.987 3.811 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.281 9.526 3.952 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.182 9.916 2.500 1.00 0.66 H new ATOM 0 HG LEU A 69 -4.934 11.943 4.379 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.323 12.315 2.548 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.246 10.649 3.170 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.071 10.986 1.630 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -5.438 13.570 2.596 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.272 12.295 1.676 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -6.916 12.824 3.248 1.00 0.77 H new ATOM 1064 N LYS A 70 -8.441 8.487 3.361 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.055 7.170 3.314 1.00 0.70 C ATOM 1066 C LYS A 70 -8.264 6.293 2.361 1.00 0.62 C ATOM 1067 O LYS A 70 -7.871 6.741 1.284 1.00 0.60 O ATOM 1068 CB LYS A 70 -10.517 7.263 2.866 1.00 0.76 C ATOM 1069 CG LYS A 70 -11.478 7.641 3.984 1.00 0.80 C ATOM 1070 CD LYS A 70 -11.302 9.090 4.412 1.00 1.70 C ATOM 1071 CE LYS A 70 -11.834 9.324 5.815 1.00 1.93 C ATOM 1072 NZ LYS A 70 -11.607 10.720 6.273 1.00 3.05 N ATOM 0 H LYS A 70 -8.519 9.014 2.491 1.00 0.72 H new ATOM 0 HA LYS A 70 -9.043 6.733 4.312 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -10.596 8.000 2.067 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -10.821 6.304 2.447 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.504 7.482 3.651 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -11.315 6.986 4.840 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -10.246 9.356 4.373 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -11.822 9.743 3.711 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -12.901 9.104 5.839 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -11.350 8.633 6.506 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -11.662 10.758 7.311 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -10.666 11.038 5.965 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -12.334 11.342 5.864 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.036 5.053 2.747 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.257 4.146 1.925 1.00 0.57 C ATOM 1088 C ILE A 71 -8.119 3.059 1.300 1.00 0.56 C ATOM 1089 O ILE A 71 -8.945 2.434 1.967 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.120 3.486 2.737 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -5.260 4.554 3.412 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.257 2.611 1.836 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -4.173 3.985 4.296 1.00 0.86 C ATOM 0 H ILE A 71 -8.377 4.651 3.620 1.00 0.62 H new ATOM 0 HA ILE A 71 -6.826 4.751 1.127 1.00 0.57 H new ATOM 0 HB ILE A 71 -6.568 2.857 3.506 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -4.803 5.179 2.645 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -5.902 5.201 4.010 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -4.462 2.155 2.425 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -5.872 1.830 1.390 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -4.819 3.222 1.047 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -3.603 4.800 4.742 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -4.624 3.383 5.085 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -3.508 3.361 3.699 1.00 0.86 H new ATOM 1105 N ILE A 72 -7.923 2.864 0.009 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.618 1.839 -0.754 1.00 0.54 C ATOM 1107 C ILE A 72 -7.585 1.118 -1.601 1.00 0.50 C ATOM 1108 O ILE A 72 -6.494 1.650 -1.815 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.736 2.417 -1.648 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.363 3.816 -2.146 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.051 2.452 -0.882 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.391 4.429 -3.069 1.00 0.99 C ATOM 0 H ILE A 72 -7.271 3.417 -0.547 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.109 1.156 -0.061 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.855 1.771 -2.518 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.223 4.472 -1.287 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.407 3.763 -2.666 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.833 2.861 -1.521 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.322 1.441 -0.578 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -10.940 3.079 0.003 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -10.057 5.419 -3.380 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.515 3.796 -3.947 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.344 4.515 -2.546 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.889 -0.072 -2.084 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.904 -0.801 -2.865 1.00 0.43 C ATOM 1126 C ALA A 73 -7.519 -1.638 -3.972 1.00 0.43 C ATOM 1127 O ALA A 73 -8.468 -2.388 -3.756 1.00 0.47 O ATOM 1128 CB ALA A 73 -6.069 -1.684 -1.953 1.00 0.50 C ATOM 0 H ALA A 73 -8.783 -0.545 -1.956 1.00 0.44 H new ATOM 0 HA ALA A 73 -6.273 -0.055 -3.348 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -5.333 -2.227 -2.546 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.556 -1.065 -1.217 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.718 -2.395 -1.441 1.00 0.50 H new ATOM 1134 N SER A 74 -6.966 -1.489 -5.166 1.00 0.48 N ATOM 1135 CA SER A 74 -7.405 -2.257 -6.315 1.00 0.53 C ATOM 1136 C SER A 74 -6.506 -3.479 -6.448 1.00 0.46 C ATOM 1137 O SER A 74 -6.929 -4.540 -6.913 1.00 0.55 O ATOM 1138 CB SER A 74 -7.342 -1.403 -7.584 1.00 0.69 C ATOM 1139 OG SER A 74 -8.079 -0.202 -7.420 1.00 0.94 O ATOM 0 H SER A 74 -6.206 -0.837 -5.362 1.00 0.48 H new ATOM 0 HA SER A 74 -8.439 -2.573 -6.178 1.00 0.53 H new ATOM 0 HB2 SER A 74 -6.304 -1.169 -7.819 1.00 0.69 H new ATOM 0 HB3 SER A 74 -7.740 -1.967 -8.427 1.00 0.69 H new ATOM 0 HG SER A 74 -7.929 0.153 -6.519 1.00 0.94 H new ATOM 1145 N CYS A 75 -5.261 -3.306 -6.010 1.00 0.45 N ATOM 1146 CA CYS A 75 -4.265 -4.367 -6.033 1.00 0.48 C ATOM 1147 C CYS A 75 -4.732 -5.531 -5.166 1.00 0.45 C ATOM 1148 O CYS A 75 -5.129 -5.334 -4.017 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.919 -3.821 -5.538 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.726 -5.082 -5.023 1.00 1.31 S ATOM 0 H CYS A 75 -4.917 -2.424 -5.629 1.00 0.45 H new ATOM 0 HA CYS A 75 -4.137 -4.729 -7.053 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.472 -3.222 -6.332 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -3.102 -3.151 -4.698 1.00 0.59 H new ATOM 0 HG CYS A 75 -0.805 -4.533 -4.287 1.00 1.31 H new ATOM 1156 N SER A 76 -4.693 -6.735 -5.729 1.00 0.57 N ATOM 1157 CA SER A 76 -5.129 -7.940 -5.035 1.00 0.64 C ATOM 1158 C SER A 76 -4.452 -8.099 -3.672 1.00 0.61 C ATOM 1159 O SER A 76 -5.130 -8.273 -2.655 1.00 0.61 O ATOM 1160 CB SER A 76 -4.842 -9.153 -5.918 1.00 0.82 C ATOM 1161 OG SER A 76 -3.998 -8.789 -7.003 1.00 1.12 O ATOM 0 H SER A 76 -4.358 -6.902 -6.678 1.00 0.57 H new ATOM 0 HA SER A 76 -6.199 -7.858 -4.847 1.00 0.64 H new ATOM 0 HB2 SER A 76 -4.368 -9.937 -5.327 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.777 -9.563 -6.299 1.00 0.82 H new ATOM 0 HG SER A 76 -3.822 -9.577 -7.559 1.00 1.12 H new ATOM 1167 N PHE A 77 -3.125 -8.011 -3.651 1.00 0.63 N ATOM 1168 CA PHE A 77 -2.369 -8.159 -2.412 1.00 0.62 C ATOM 1169 C PHE A 77 -2.748 -7.081 -1.401 1.00 0.55 C ATOM 1170 O PHE A 77 -3.064 -7.383 -0.254 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.861 -8.107 -2.686 1.00 0.68 C ATOM 1172 CG PHE A 77 -0.022 -8.314 -1.453 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.030 -9.554 -0.833 1.00 0.83 C ATOM 1174 CD2 PHE A 77 0.724 -7.275 -0.922 1.00 0.77 C ATOM 1175 CE1 PHE A 77 0.808 -9.749 0.292 1.00 0.93 C ATOM 1176 CE2 PHE A 77 1.502 -7.465 0.206 1.00 0.87 C ATOM 1177 CZ PHE A 77 1.511 -8.692 0.839 1.00 0.95 C ATOM 0 H PHE A 77 -2.552 -7.838 -4.477 1.00 0.63 H new ATOM 0 HA PHE A 77 -2.620 -9.132 -1.990 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -0.606 -8.870 -3.422 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.613 -7.142 -3.128 1.00 0.68 H new ATOM 0 HD1 PHE A 77 -0.544 -10.376 -1.234 1.00 0.83 H new ATOM 0 HD2 PHE A 77 0.698 -6.304 -1.394 1.00 0.77 H new ATOM 0 HE1 PHE A 77 0.867 -10.728 0.744 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.102 -6.654 0.591 1.00 0.87 H new ATOM 0 HZ PHE A 77 2.064 -8.825 1.757 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.735 -5.830 -1.841 1.00 0.50 N ATOM 1188 CA ALA A 78 -3.057 -4.703 -0.972 1.00 0.46 C ATOM 1189 C ALA A 78 -4.474 -4.797 -0.411 1.00 0.44 C ATOM 1190 O ALA A 78 -4.689 -4.547 0.774 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.871 -3.394 -1.721 1.00 0.47 C ATOM 0 H ALA A 78 -2.504 -5.568 -2.799 1.00 0.50 H new ATOM 0 HA ALA A 78 -2.371 -4.735 -0.126 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -3.114 -2.560 -1.062 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.835 -3.307 -2.050 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -3.530 -3.375 -2.589 1.00 0.47 H new ATOM 1197 N LYS A 79 -5.438 -5.153 -1.256 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.822 -5.280 -0.810 1.00 0.47 C ATOM 1199 C LYS A 79 -6.930 -6.388 0.234 1.00 0.52 C ATOM 1200 O LYS A 79 -7.585 -6.225 1.263 1.00 0.55 O ATOM 1201 CB LYS A 79 -7.749 -5.564 -1.995 1.00 0.51 C ATOM 1202 CG LYS A 79 -9.228 -5.408 -1.667 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.876 -6.747 -1.343 1.00 0.87 C ATOM 1204 CE LYS A 79 -11.172 -6.573 -0.564 1.00 1.11 C ATOM 1205 NZ LYS A 79 -11.916 -7.855 -0.432 1.00 1.27 N ATOM 0 H LYS A 79 -5.289 -5.357 -2.244 1.00 0.44 H new ATOM 0 HA LYS A 79 -7.133 -4.338 -0.358 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -7.495 -4.891 -2.813 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -7.570 -6.579 -2.350 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -9.344 -4.733 -0.819 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -9.742 -4.950 -2.512 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -10.078 -7.287 -2.268 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -9.182 -7.356 -0.763 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.950 -6.179 0.427 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.801 -5.838 -1.066 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -12.732 -7.851 -1.077 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -11.287 -8.648 -0.673 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -12.250 -7.964 0.547 1.00 1.27 H new ATOM 1219 N HIS A 80 -6.263 -7.504 -0.032 1.00 0.56 N ATOM 1220 CA HIS A 80 -6.265 -8.637 0.885 1.00 0.64 C ATOM 1221 C HIS A 80 -5.553 -8.259 2.180 1.00 0.60 C ATOM 1222 O HIS A 80 -5.879 -8.765 3.250 1.00 0.60 O ATOM 1223 CB HIS A 80 -5.589 -9.851 0.229 1.00 0.77 C ATOM 1224 CG HIS A 80 -5.414 -11.034 1.139 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -6.394 -11.977 1.346 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -4.359 -11.423 1.892 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -5.949 -12.893 2.185 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -4.715 -12.581 2.532 1.00 1.13 N ATOM 0 H HIS A 80 -5.712 -7.649 -0.878 1.00 0.56 H new ATOM 0 HA HIS A 80 -7.295 -8.904 1.120 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -6.180 -10.157 -0.635 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -4.611 -9.548 -0.145 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -3.410 -10.914 1.974 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -6.502 -13.754 2.530 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -4.124 -13.113 3.171 1.00 1.13 H new ATOM 1237 N MET A 81 -4.585 -7.362 2.070 1.00 0.58 N ATOM 1238 CA MET A 81 -3.822 -6.908 3.223 1.00 0.59 C ATOM 1239 C MET A 81 -4.669 -6.037 4.136 1.00 0.54 C ATOM 1240 O MET A 81 -4.722 -6.261 5.346 1.00 0.58 O ATOM 1241 CB MET A 81 -2.581 -6.126 2.778 1.00 0.64 C ATOM 1242 CG MET A 81 -1.430 -7.007 2.327 1.00 1.25 C ATOM 1243 SD MET A 81 -1.129 -8.386 3.450 1.00 1.51 S ATOM 1244 CE MET A 81 -1.082 -7.533 5.023 1.00 1.09 C ATOM 0 H MET A 81 -4.308 -6.932 1.188 1.00 0.58 H new ATOM 0 HA MET A 81 -3.510 -7.794 3.776 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.857 -5.459 1.961 1.00 0.64 H new ATOM 0 HB3 MET A 81 -2.244 -5.498 3.603 1.00 0.64 H new ATOM 0 HG2 MET A 81 -1.643 -7.395 1.331 1.00 1.25 H new ATOM 0 HG3 MET A 81 -0.525 -6.404 2.248 1.00 1.25 H new ATOM 0 HE1 MET A 81 -0.506 -8.120 5.738 1.00 1.09 H new ATOM 0 HE2 MET A 81 -0.614 -6.557 4.894 1.00 1.09 H new ATOM 0 HE3 MET A 81 -2.098 -7.402 5.396 1.00 1.09 H new ATOM 1254 N LEU A 82 -5.337 -5.056 3.549 1.00 0.50 N ATOM 1255 CA LEU A 82 -6.179 -4.138 4.306 1.00 0.51 C ATOM 1256 C LEU A 82 -7.406 -4.848 4.871 1.00 0.56 C ATOM 1257 O LEU A 82 -7.981 -4.412 5.865 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.597 -2.962 3.423 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.463 -2.004 3.043 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.829 -1.207 1.805 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -5.144 -1.067 4.200 1.00 0.49 C ATOM 0 H LEU A 82 -5.313 -4.873 2.546 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.600 -3.760 5.148 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -7.043 -3.354 2.509 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -7.373 -2.397 3.940 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.575 -2.597 2.822 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -5.011 -0.533 1.551 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -6.009 -1.888 0.973 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.731 -0.626 1.999 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.336 -0.394 3.911 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -6.030 -0.484 4.451 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.837 -1.651 5.067 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.802 -5.943 4.230 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.949 -6.720 4.684 1.00 0.70 C ATOM 1275 C GLU A 83 -8.523 -7.702 5.776 1.00 0.68 C ATOM 1276 O GLU A 83 -9.334 -8.147 6.586 1.00 0.72 O ATOM 1277 CB GLU A 83 -9.580 -7.474 3.509 1.00 0.85 C ATOM 1278 CG GLU A 83 -10.970 -8.009 3.805 1.00 1.15 C ATOM 1279 CD GLU A 83 -11.453 -8.990 2.759 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -10.853 -10.078 2.637 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -12.430 -8.676 2.046 1.00 1.45 O ATOM 0 H GLU A 83 -7.346 -6.312 3.396 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.691 -6.037 5.098 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -9.632 -6.809 2.647 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -8.932 -8.305 3.231 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -10.967 -8.496 4.780 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -11.670 -7.176 3.867 1.00 1.15 H new ATOM 1288 N LYS A 84 -7.240 -8.036 5.787 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.696 -8.956 6.776 1.00 0.69 C ATOM 1290 C LYS A 84 -6.310 -8.210 8.045 1.00 0.68 C ATOM 1291 O LYS A 84 -6.581 -8.670 9.156 1.00 0.67 O ATOM 1292 CB LYS A 84 -5.472 -9.684 6.212 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.712 -10.508 7.247 1.00 0.99 C ATOM 1294 CD LYS A 84 -5.458 -11.780 7.605 1.00 1.43 C ATOM 1295 CE LYS A 84 -5.215 -12.180 9.053 1.00 1.94 C ATOM 1296 NZ LYS A 84 -6.004 -11.350 9.999 1.00 2.33 N ATOM 0 H LYS A 84 -6.554 -7.682 5.120 1.00 0.67 H new ATOM 0 HA LYS A 84 -7.466 -9.689 7.018 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -5.793 -10.341 5.403 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.794 -8.950 5.777 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -3.726 -10.761 6.858 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -4.557 -9.911 8.146 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -6.526 -11.635 7.441 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -5.140 -12.587 6.945 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -5.475 -13.230 9.188 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -4.154 -12.083 9.283 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -5.491 -11.267 10.900 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -6.147 -10.403 9.594 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -6.927 -11.798 10.167 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.669 -7.066 7.873 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.236 -6.257 8.995 1.00 0.96 C ATOM 1312 C GLU A 85 -6.381 -5.385 9.496 1.00 0.93 C ATOM 1313 O GLU A 85 -6.615 -4.291 8.985 1.00 0.86 O ATOM 1314 CB GLU A 85 -4.040 -5.392 8.591 1.00 1.07 C ATOM 1315 CG GLU A 85 -3.358 -4.694 9.756 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.620 -5.653 10.663 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -1.618 -6.252 10.218 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -3.027 -5.799 11.832 1.00 1.60 O ATOM 0 H GLU A 85 -5.437 -6.676 6.959 1.00 0.84 H new ATOM 0 HA GLU A 85 -4.929 -6.919 9.805 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.310 -6.018 8.078 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.374 -4.640 7.876 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -2.657 -3.954 9.370 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -4.105 -4.153 10.337 1.00 1.07 H new ATOM 1325 N ASP A 86 -7.085 -5.882 10.509 1.00 1.07 N ATOM 1326 CA ASP A 86 -8.213 -5.159 11.098 1.00 1.10 C ATOM 1327 C ASP A 86 -7.749 -3.857 11.738 1.00 1.02 C ATOM 1328 O ASP A 86 -8.547 -2.961 12.003 1.00 0.99 O ATOM 1329 CB ASP A 86 -8.919 -6.018 12.148 1.00 1.36 C ATOM 1330 CG ASP A 86 -10.117 -6.766 11.594 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -11.190 -6.147 11.436 1.00 2.27 O ATOM 1332 OD2 ASP A 86 -9.988 -7.973 11.301 1.00 2.66 O ATOM 0 H ASP A 86 -6.895 -6.786 10.942 1.00 1.07 H new ATOM 0 HA ASP A 86 -8.913 -4.930 10.295 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -8.209 -6.735 12.560 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -9.244 -5.382 12.971 1.00 1.36 H new ATOM 1337 N SER A 87 -6.447 -3.758 11.972 1.00 1.05 N ATOM 1338 CA SER A 87 -5.854 -2.576 12.576 1.00 1.08 C ATOM 1339 C SER A 87 -5.883 -1.385 11.613 1.00 0.93 C ATOM 1340 O SER A 87 -5.556 -0.262 11.989 1.00 0.97 O ATOM 1341 CB SER A 87 -4.415 -2.886 12.986 1.00 1.27 C ATOM 1342 OG SER A 87 -4.303 -4.222 13.463 1.00 1.46 O ATOM 0 H SER A 87 -5.776 -4.493 11.749 1.00 1.05 H new ATOM 0 HA SER A 87 -6.438 -2.306 13.456 1.00 1.08 H new ATOM 0 HB2 SER A 87 -3.750 -2.742 12.134 1.00 1.27 H new ATOM 0 HB3 SER A 87 -4.095 -2.190 13.761 1.00 1.27 H new ATOM 0 HG SER A 87 -4.039 -4.811 12.726 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.279 -1.639 10.368 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.352 -0.591 9.356 1.00 0.88 C ATOM 1350 C TYR A 88 -7.801 -0.333 8.948 1.00 0.89 C ATOM 1351 O TYR A 88 -8.065 0.321 7.941 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.541 -0.982 8.117 1.00 0.93 C ATOM 1353 CG TYR A 88 -4.047 -1.126 8.343 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.432 -0.462 9.394 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -3.258 -1.929 7.525 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -2.078 -0.589 9.625 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.900 -2.063 7.754 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.303 -1.388 8.707 1.00 0.93 C ATOM 1359 OH TYR A 88 0.030 -1.523 9.042 1.00 1.00 O ATOM 0 H TYR A 88 -6.554 -2.563 10.036 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.935 0.319 9.788 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.927 -1.926 7.733 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.705 -0.232 7.343 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -4.024 0.166 10.043 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -3.713 -2.456 6.699 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.611 -0.104 10.469 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -1.322 -2.735 7.137 1.00 0.97 H new ATOM 0 HH TYR A 88 0.481 -2.078 8.372 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.739 -0.834 9.743 1.00 1.08 N ATOM 1370 CA GLN A 89 -10.164 -0.679 9.444 1.00 1.18 C ATOM 1371 C GLN A 89 -10.620 0.776 9.575 1.00 1.16 C ATOM 1372 O GLN A 89 -11.671 1.156 9.056 1.00 1.26 O ATOM 1373 CB GLN A 89 -10.999 -1.563 10.369 1.00 1.43 C ATOM 1374 CG GLN A 89 -11.981 -2.456 9.631 1.00 1.61 C ATOM 1375 CD GLN A 89 -13.120 -2.922 10.514 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -14.161 -2.273 10.601 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -12.936 -4.050 11.174 1.00 2.33 N ATOM 0 H GLN A 89 -8.542 -1.351 10.600 1.00 1.08 H new ATOM 0 HA GLN A 89 -10.313 -0.987 8.409 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.331 -2.185 10.964 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -11.549 -0.929 11.065 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -12.387 -1.915 8.776 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -11.452 -3.324 9.238 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -12.058 -4.561 11.076 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -13.671 -4.411 11.782 1.00 2.33 H new ATOM 1386 N ASP A 90 -9.828 1.584 10.262 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.157 2.990 10.458 1.00 1.17 C ATOM 1388 C ASP A 90 -9.795 3.818 9.227 1.00 1.09 C ATOM 1389 O ASP A 90 -10.394 4.865 8.978 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.449 3.546 11.698 1.00 1.18 C ATOM 1391 CG ASP A 90 -7.946 3.622 11.536 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -7.324 2.576 11.259 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -7.383 4.730 11.675 1.00 2.03 O ATOM 0 H ASP A 90 -8.952 1.291 10.694 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.234 3.060 10.611 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -9.836 4.541 11.915 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.685 2.918 12.557 1.00 1.18 H new ATOM 1398 N VAL A 91 -8.826 3.346 8.452 1.00 0.83 N ATOM 1399 CA VAL A 91 -8.410 4.057 7.250 1.00 0.79 C ATOM 1400 C VAL A 91 -8.966 3.386 5.998 1.00 0.73 C ATOM 1401 O VAL A 91 -9.275 4.056 5.014 1.00 0.76 O ATOM 1402 CB VAL A 91 -6.872 4.167 7.134 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -6.339 5.228 8.085 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.209 2.824 7.399 1.00 0.78 C ATOM 0 H VAL A 91 -8.317 2.481 8.632 1.00 0.83 H new ATOM 0 HA VAL A 91 -8.816 5.065 7.333 1.00 0.79 H new ATOM 0 HB VAL A 91 -6.629 4.466 6.114 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -5.255 5.291 7.989 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -6.782 6.193 7.839 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -6.598 4.961 9.110 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.128 2.928 7.311 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -6.461 2.486 8.404 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.563 2.094 6.672 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.098 2.067 6.042 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.622 1.313 4.915 1.00 0.71 C ATOM 1416 C TYR A 92 -11.142 1.264 4.978 1.00 0.80 C ATOM 1417 O TYR A 92 -11.722 1.059 6.043 1.00 0.98 O ATOM 1418 CB TYR A 92 -9.046 -0.109 4.902 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.489 -0.942 3.719 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.212 -0.541 2.420 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -10.184 -2.131 3.902 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.613 -1.296 1.336 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -10.591 -2.893 2.822 1.00 1.02 C ATOM 1424 CZ TYR A 92 -10.302 -2.470 1.542 1.00 1.02 C ATOM 1425 OH TYR A 92 -10.707 -3.220 0.463 1.00 1.14 O ATOM 0 H TYR A 92 -8.848 1.497 6.850 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.323 1.814 3.995 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.958 -0.049 4.904 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -9.339 -0.617 5.821 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.672 0.380 2.254 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -10.410 -2.466 4.904 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.388 -0.968 0.332 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -11.132 -3.814 2.980 1.00 1.02 H new ATOM 0 HH TYR A 92 -11.179 -4.019 0.779 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.783 1.446 3.835 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.239 1.426 3.760 1.00 0.84 C ATOM 1437 C LEU A 93 -13.776 -0.005 3.739 1.00 1.05 C ATOM 1438 O LEU A 93 -14.641 -0.342 2.931 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.713 2.183 2.518 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.329 3.665 2.467 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.720 4.273 1.131 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -13.983 4.430 3.609 1.00 1.42 C ATOM 0 H LEU A 93 -11.318 1.610 2.942 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.628 1.918 4.651 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -13.307 1.689 1.635 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.798 2.104 2.457 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.247 3.740 2.578 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.439 5.326 1.114 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -13.205 3.747 0.327 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.797 4.183 0.991 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -13.697 5.480 3.554 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -15.067 4.344 3.531 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.654 4.014 4.561 1.00 1.42 H new