USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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 73 CYS SG : rot 180:sc= -0.226 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 69 CYS SG : rot -142:sc= -0.358! USER MOD Set 2.2: A 78 GLN : amide:sc= -3.55! C(o=-3.9!,f=-5!) USER MOD Set 3.1: A 32 CYS SG : rot 87:sc= 0.978 USER MOD Set 3.2: A 35 CYS SG : rot 79:sc= 0.043 USER MOD Set 3.3: A 74 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 3 LYS NZ :NH3+ -160:sc= -0.0703 (180deg=-0.718) USER MOD Single : A 4 GLN : amide:sc= -0.686 K(o=-0.69,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00237 USER MOD Single : A 12 GLN : amide:sc= -5.48! C(o=-5.5!,f=-10!) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= -0.0483 (180deg=-0.59) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.433) USER MOD Single : A 43 HIS : no HE2:sc= -0.953 K(o=-0.95,f=-6.3!) USER MOD Single : A 44 SER OG : rot -44:sc= 0.00168 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 51 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.092) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.85 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -37:sc= 0.27 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 89:sc= 0.428 USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= 0.447 (180deg=0.137) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.292) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.25 K(o=-2.2,f=-0.33) USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= -0.044 (180deg=-0.715) USER MOD Single : A 96 LYS NZ :NH3+ -123:sc= 0.0927 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -176:sc= -0.1 USER MOD Single : A 102 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.801 -0.597 8.515 1.00 0.67 N ATOM 21 CA VAL A 2 -3.404 -0.245 8.127 1.00 0.34 C ATOM 22 C VAL A 2 -2.408 -1.123 8.891 1.00 0.34 C ATOM 23 O VAL A 2 -2.486 -1.251 10.096 1.00 0.47 O ATOM 24 CB VAL A 2 -3.148 1.225 8.451 1.00 0.68 C ATOM 25 CG1 VAL A 2 -1.714 1.579 8.065 1.00 0.88 C ATOM 26 CG2 VAL A 2 -4.110 2.093 7.638 1.00 0.62 C ATOM 0 HA VAL A 2 -3.274 -0.414 7.058 1.00 0.34 H new ATOM 0 HB VAL A 2 -3.301 1.400 9.516 1.00 0.68 H new ATOM 0 HG11 VAL A 2 -1.524 2.628 8.294 1.00 0.88 H new ATOM 0 HG12 VAL A 2 -1.021 0.954 8.628 1.00 0.88 H new ATOM 0 HG13 VAL A 2 -1.572 1.409 6.998 1.00 0.88 H new ATOM 0 HG21 VAL A 2 -3.932 3.144 7.865 1.00 0.62 H new ATOM 0 HG22 VAL A 2 -3.947 1.919 6.574 1.00 0.62 H new ATOM 0 HG23 VAL A 2 -5.138 1.835 7.894 1.00 0.62 H new ATOM 36 N LYS A 3 -1.494 -1.714 8.169 1.00 0.30 N ATOM 37 CA LYS A 3 -0.486 -2.594 8.835 1.00 0.46 C ATOM 38 C LYS A 3 0.878 -2.456 8.148 1.00 0.33 C ATOM 39 O LYS A 3 0.955 -2.183 6.966 1.00 0.27 O ATOM 40 CB LYS A 3 -0.956 -4.046 8.744 1.00 0.65 C ATOM 41 CG LYS A 3 -0.140 -4.901 9.716 1.00 0.83 C ATOM 42 CD LYS A 3 -0.570 -6.365 9.579 1.00 0.46 C ATOM 43 CE LYS A 3 0.078 -7.189 10.694 1.00 1.19 C ATOM 44 NZ LYS A 3 1.487 -6.757 10.912 1.00 2.65 N ATOM 0 H LYS A 3 -1.400 -1.628 7.157 1.00 0.30 H new ATOM 0 HA LYS A 3 -0.385 -2.297 9.879 1.00 0.46 H new ATOM 0 HB2 LYS A 3 -2.017 -4.113 8.985 1.00 0.65 H new ATOM 0 HB3 LYS A 3 -0.836 -4.417 7.726 1.00 0.65 H new ATOM 0 HG2 LYS A 3 0.924 -4.800 9.503 1.00 0.83 H new ATOM 0 HG3 LYS A 3 -0.294 -4.558 10.739 1.00 0.83 H new ATOM 0 HD2 LYS A 3 -1.656 -6.444 9.637 1.00 0.46 H new ATOM 0 HD3 LYS A 3 -0.273 -6.753 8.605 1.00 0.46 H new ATOM 0 HE2 LYS A 3 -0.491 -7.074 11.617 1.00 1.19 H new ATOM 0 HE3 LYS A 3 0.052 -8.247 10.434 1.00 1.19 H new ATOM 0 HZ1 LYS A 3 2.009 -7.511 11.403 1.00 2.65 H new ATOM 0 HZ2 LYS A 3 1.937 -6.565 9.994 1.00 2.65 H new ATOM 0 HZ3 LYS A 3 1.500 -5.893 11.491 1.00 2.65 H new ATOM 58 N GLN A 4 1.923 -2.651 8.910 1.00 0.31 N ATOM 59 CA GLN A 4 3.297 -2.538 8.329 1.00 0.20 C ATOM 60 C GLN A 4 3.892 -3.934 8.097 1.00 0.25 C ATOM 61 O GLN A 4 3.717 -4.826 8.902 1.00 0.34 O ATOM 62 CB GLN A 4 4.184 -1.761 9.302 1.00 0.25 C ATOM 63 CG GLN A 4 5.587 -1.626 8.708 1.00 0.17 C ATOM 64 CD GLN A 4 6.358 -0.546 9.469 1.00 0.23 C ATOM 65 OE1 GLN A 4 7.277 0.056 8.952 1.00 1.27 O ATOM 66 NE2 GLN A 4 6.016 -0.273 10.698 1.00 0.92 N ATOM 0 H GLN A 4 1.887 -2.882 9.903 1.00 0.31 H new ATOM 0 HA GLN A 4 3.243 -2.017 7.373 1.00 0.20 H new ATOM 0 HB2 GLN A 4 3.760 -0.775 9.491 1.00 0.25 H new ATOM 0 HB3 GLN A 4 4.231 -2.277 10.261 1.00 0.25 H new ATOM 0 HG2 GLN A 4 6.114 -2.578 8.772 1.00 0.17 H new ATOM 0 HG3 GLN A 4 5.523 -1.367 7.651 1.00 0.17 H new ATOM 0 HE21 GLN A 4 5.245 -0.776 11.136 1.00 0.92 H new ATOM 0 HE22 GLN A 4 6.520 0.444 11.220 1.00 0.92 H new ATOM 75 N ILE A 5 4.582 -4.087 7.000 1.00 0.22 N ATOM 76 CA ILE A 5 5.197 -5.416 6.698 1.00 0.33 C ATOM 77 C ILE A 5 6.540 -5.551 7.432 1.00 0.59 C ATOM 78 O ILE A 5 6.940 -4.666 8.160 1.00 0.77 O ATOM 79 CB ILE A 5 5.426 -5.527 5.181 1.00 0.26 C ATOM 80 CG1 ILE A 5 4.126 -5.144 4.441 1.00 0.15 C ATOM 81 CG2 ILE A 5 5.847 -6.966 4.810 1.00 0.33 C ATOM 82 CD1 ILE A 5 2.954 -5.987 4.962 1.00 0.19 C ATOM 0 H ILE A 5 4.747 -3.359 6.305 1.00 0.22 H new ATOM 0 HA ILE A 5 4.530 -6.211 7.032 1.00 0.33 H new ATOM 0 HB ILE A 5 6.225 -4.847 4.884 1.00 0.26 H new ATOM 0 HG12 ILE A 5 3.915 -4.085 4.586 1.00 0.15 H new ATOM 0 HG13 ILE A 5 4.249 -5.301 3.369 1.00 0.15 H new ATOM 0 HG21 ILE A 5 6.006 -7.032 3.734 1.00 0.33 H new ATOM 0 HG22 ILE A 5 6.771 -7.220 5.330 1.00 0.33 H new ATOM 0 HG23 ILE A 5 5.062 -7.662 5.104 1.00 0.33 H new ATOM 0 HD11 ILE A 5 2.042 -5.709 4.433 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.163 -7.044 4.794 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.823 -5.808 6.029 1.00 0.19 H new ATOM 94 N GLU A 6 7.204 -6.658 7.226 1.00 0.61 N ATOM 95 CA GLU A 6 8.520 -6.864 7.901 1.00 0.85 C ATOM 96 C GLU A 6 9.490 -7.579 6.953 1.00 0.79 C ATOM 97 O GLU A 6 10.667 -7.278 6.922 1.00 0.88 O ATOM 98 CB GLU A 6 8.307 -7.710 9.159 1.00 1.02 C ATOM 99 CG GLU A 6 9.640 -8.331 9.588 1.00 1.14 C ATOM 100 CD GLU A 6 9.605 -8.607 11.093 1.00 1.37 C ATOM 101 OE1 GLU A 6 9.840 -7.658 11.822 1.00 1.62 O ATOM 102 OE2 GLU A 6 9.348 -9.751 11.428 1.00 2.09 O ATOM 0 H GLU A 6 6.896 -7.422 6.625 1.00 0.61 H new ATOM 0 HA GLU A 6 8.945 -5.898 8.174 1.00 0.85 H new ATOM 0 HB2 GLU A 6 7.906 -7.092 9.962 1.00 1.02 H new ATOM 0 HB3 GLU A 6 7.575 -8.493 8.964 1.00 1.02 H new ATOM 0 HG2 GLU A 6 9.817 -9.257 9.040 1.00 1.14 H new ATOM 0 HG3 GLU A 6 10.463 -7.657 9.349 1.00 1.14 H new ATOM 109 N SER A 7 8.973 -8.509 6.198 1.00 0.67 N ATOM 110 CA SER A 7 9.850 -9.250 5.245 1.00 0.61 C ATOM 111 C SER A 7 9.056 -9.643 3.994 1.00 0.43 C ATOM 112 O SER A 7 7.887 -9.331 3.875 1.00 0.34 O ATOM 113 CB SER A 7 10.381 -10.508 5.928 1.00 0.63 C ATOM 114 OG SER A 7 9.217 -11.149 6.428 1.00 0.64 O ATOM 0 H SER A 7 7.992 -8.787 6.198 1.00 0.67 H new ATOM 0 HA SER A 7 10.681 -8.610 4.949 1.00 0.61 H new ATOM 0 HB2 SER A 7 10.917 -11.147 5.226 1.00 0.63 H new ATOM 0 HB3 SER A 7 11.077 -10.262 6.731 1.00 0.63 H new ATOM 0 HG SER A 7 9.471 -11.977 6.886 1.00 0.64 H new ATOM 120 N LYS A 8 9.708 -10.317 3.089 1.00 0.42 N ATOM 121 CA LYS A 8 9.005 -10.737 1.840 1.00 0.40 C ATOM 122 C LYS A 8 8.006 -11.850 2.146 1.00 0.26 C ATOM 123 O LYS A 8 6.824 -11.725 1.884 1.00 0.42 O ATOM 124 CB LYS A 8 10.038 -11.239 0.832 1.00 0.53 C ATOM 125 CG LYS A 8 9.334 -11.555 -0.494 1.00 0.69 C ATOM 126 CD LYS A 8 9.528 -13.037 -0.840 1.00 0.67 C ATOM 127 CE LYS A 8 10.998 -13.287 -1.192 1.00 1.70 C ATOM 128 NZ LYS A 8 11.490 -14.528 -0.527 1.00 2.54 N ATOM 0 H LYS A 8 10.687 -10.594 3.156 1.00 0.42 H new ATOM 0 HA LYS A 8 8.465 -9.885 1.426 1.00 0.40 H new ATOM 0 HB2 LYS A 8 10.810 -10.485 0.677 1.00 0.53 H new ATOM 0 HB3 LYS A 8 10.535 -12.130 1.215 1.00 0.53 H new ATOM 0 HG2 LYS A 8 8.271 -11.325 -0.417 1.00 0.69 H new ATOM 0 HG3 LYS A 8 9.738 -10.930 -1.290 1.00 0.69 H new ATOM 0 HD2 LYS A 8 9.233 -13.661 0.004 1.00 0.67 H new ATOM 0 HD3 LYS A 8 8.889 -13.313 -1.679 1.00 0.67 H new ATOM 0 HE2 LYS A 8 11.109 -13.378 -2.273 1.00 1.70 H new ATOM 0 HE3 LYS A 8 11.603 -12.436 -0.880 1.00 1.70 H new ATOM 0 HZ1 LYS A 8 12.488 -14.683 -0.776 1.00 2.54 H new ATOM 0 HZ2 LYS A 8 11.402 -14.427 0.504 1.00 2.54 H new ATOM 0 HZ3 LYS A 8 10.924 -15.340 -0.845 1.00 2.54 H new ATOM 142 N THR A 9 8.506 -12.910 2.694 1.00 0.19 N ATOM 143 CA THR A 9 7.618 -14.057 3.036 1.00 0.41 C ATOM 144 C THR A 9 6.354 -13.543 3.709 1.00 0.37 C ATOM 145 O THR A 9 5.298 -14.133 3.603 1.00 0.43 O ATOM 146 CB THR A 9 8.357 -14.988 3.994 1.00 0.57 C ATOM 147 OG1 THR A 9 9.533 -15.375 3.288 1.00 0.53 O ATOM 148 CG2 THR A 9 7.584 -16.280 4.234 1.00 0.87 C ATOM 0 H THR A 9 9.492 -13.039 2.923 1.00 0.19 H new ATOM 0 HA THR A 9 7.349 -14.595 2.127 1.00 0.41 H new ATOM 0 HB THR A 9 8.521 -14.485 4.947 1.00 0.57 H new ATOM 0 HG1 THR A 9 10.066 -15.979 3.846 1.00 0.53 H new ATOM 0 HG21 THR A 9 8.143 -16.916 4.921 1.00 0.87 H new ATOM 0 HG22 THR A 9 6.611 -16.047 4.666 1.00 0.87 H new ATOM 0 HG23 THR A 9 7.445 -16.802 3.287 1.00 0.87 H new ATOM 156 N ALA A 10 6.497 -12.460 4.399 1.00 0.27 N ATOM 157 CA ALA A 10 5.324 -11.866 5.088 1.00 0.24 C ATOM 158 C ALA A 10 4.393 -11.211 4.065 1.00 0.17 C ATOM 159 O ALA A 10 3.207 -11.456 4.056 1.00 0.16 O ATOM 160 CB ALA A 10 5.803 -10.819 6.086 1.00 0.24 C ATOM 0 H ALA A 10 7.375 -11.955 4.519 1.00 0.27 H new ATOM 0 HA ALA A 10 4.779 -12.651 5.612 1.00 0.24 H new ATOM 0 HB1 ALA A 10 4.944 -10.381 6.594 1.00 0.24 H new ATOM 0 HB2 ALA A 10 6.458 -11.289 6.820 1.00 0.24 H new ATOM 0 HB3 ALA A 10 6.350 -10.038 5.559 1.00 0.24 H new ATOM 166 N PHE A 11 4.950 -10.381 3.229 1.00 0.13 N ATOM 167 CA PHE A 11 4.104 -9.719 2.199 1.00 0.10 C ATOM 168 C PHE A 11 3.196 -10.765 1.540 1.00 0.16 C ATOM 169 O PHE A 11 2.127 -10.451 1.057 1.00 0.17 O ATOM 170 CB PHE A 11 5.013 -9.076 1.149 1.00 0.16 C ATOM 171 CG PHE A 11 4.165 -8.315 0.124 1.00 0.24 C ATOM 172 CD1 PHE A 11 3.420 -7.213 0.505 1.00 0.25 C ATOM 173 CD2 PHE A 11 4.134 -8.720 -1.201 1.00 0.35 C ATOM 174 CE1 PHE A 11 2.660 -6.530 -0.421 1.00 0.34 C ATOM 175 CE2 PHE A 11 3.372 -8.032 -2.124 1.00 0.43 C ATOM 176 CZ PHE A 11 2.637 -6.939 -1.734 1.00 0.41 C ATOM 0 H PHE A 11 5.940 -10.135 3.213 1.00 0.13 H new ATOM 0 HA PHE A 11 3.483 -8.950 2.660 1.00 0.10 H new ATOM 0 HB2 PHE A 11 5.715 -8.396 1.630 1.00 0.16 H new ATOM 0 HB3 PHE A 11 5.604 -9.843 0.648 1.00 0.16 H new ATOM 0 HD1 PHE A 11 3.434 -6.886 1.534 1.00 0.25 H new ATOM 0 HD2 PHE A 11 4.709 -9.579 -1.513 1.00 0.35 H new ATOM 0 HE1 PHE A 11 2.081 -5.671 -0.114 1.00 0.34 H new ATOM 0 HE2 PHE A 11 3.354 -8.354 -3.155 1.00 0.43 H new ATOM 0 HZ PHE A 11 2.042 -6.402 -2.457 1.00 0.41 H new ATOM 186 N GLN A 12 3.652 -11.993 1.533 1.00 0.20 N ATOM 187 CA GLN A 12 2.827 -13.085 0.921 1.00 0.26 C ATOM 188 C GLN A 12 1.686 -13.492 1.858 1.00 0.27 C ATOM 189 O GLN A 12 0.526 -13.312 1.547 1.00 0.33 O ATOM 190 CB GLN A 12 3.712 -14.310 0.650 1.00 0.33 C ATOM 191 CG GLN A 12 4.527 -14.098 -0.632 1.00 0.74 C ATOM 192 CD GLN A 12 5.580 -13.015 -0.392 1.00 2.62 C ATOM 193 OE1 GLN A 12 6.653 -13.279 0.112 1.00 3.65 O ATOM 194 NE2 GLN A 12 5.317 -11.787 -0.741 1.00 3.68 N ATOM 0 H GLN A 12 4.549 -12.287 1.919 1.00 0.20 H new ATOM 0 HA GLN A 12 2.404 -12.714 -0.013 1.00 0.26 H new ATOM 0 HB2 GLN A 12 4.382 -14.478 1.493 1.00 0.33 H new ATOM 0 HB3 GLN A 12 3.093 -15.202 0.553 1.00 0.33 H new ATOM 0 HG2 GLN A 12 5.009 -15.030 -0.928 1.00 0.74 H new ATOM 0 HG3 GLN A 12 3.869 -13.806 -1.450 1.00 0.74 H new ATOM 0 HE21 GLN A 12 4.418 -11.559 -1.165 1.00 3.68 H new ATOM 0 HE22 GLN A 12 6.010 -11.054 -0.590 1.00 3.68 H new ATOM 203 N GLU A 13 2.046 -14.033 2.985 1.00 0.45 N ATOM 204 CA GLU A 13 0.997 -14.482 3.953 1.00 0.53 C ATOM 205 C GLU A 13 0.129 -13.301 4.388 1.00 0.34 C ATOM 206 O GLU A 13 -0.894 -13.479 5.018 1.00 0.47 O ATOM 207 CB GLU A 13 1.672 -15.111 5.174 1.00 0.89 C ATOM 208 CG GLU A 13 2.254 -14.011 6.059 1.00 1.10 C ATOM 209 CD GLU A 13 1.222 -13.613 7.116 1.00 2.28 C ATOM 210 OE1 GLU A 13 1.140 -14.338 8.093 1.00 2.18 O ATOM 211 OE2 GLU A 13 0.572 -12.606 6.887 1.00 3.39 O ATOM 0 H GLU A 13 3.010 -14.185 3.281 1.00 0.45 H new ATOM 0 HA GLU A 13 0.357 -15.219 3.468 1.00 0.53 H new ATOM 0 HB2 GLU A 13 0.950 -15.702 5.738 1.00 0.89 H new ATOM 0 HB3 GLU A 13 2.461 -15.792 4.856 1.00 0.89 H new ATOM 0 HG2 GLU A 13 3.168 -14.361 6.540 1.00 1.10 H new ATOM 0 HG3 GLU A 13 2.523 -13.146 5.453 1.00 1.10 H new ATOM 218 N ALA A 14 0.554 -12.117 4.046 1.00 0.48 N ATOM 219 CA ALA A 14 -0.248 -10.918 4.425 1.00 0.39 C ATOM 220 C ALA A 14 -1.370 -10.711 3.406 1.00 0.22 C ATOM 221 O ALA A 14 -2.442 -10.250 3.743 1.00 0.40 O ATOM 222 CB ALA A 14 0.661 -9.691 4.447 1.00 0.54 C ATOM 0 H ALA A 14 1.411 -11.927 3.527 1.00 0.48 H new ATOM 0 HA ALA A 14 -0.684 -11.065 5.413 1.00 0.39 H new ATOM 0 HB1 ALA A 14 0.079 -8.812 4.724 1.00 0.54 H new ATOM 0 HB2 ALA A 14 1.458 -9.842 5.175 1.00 0.54 H new ATOM 0 HB3 ALA A 14 1.095 -9.542 3.458 1.00 0.54 H new ATOM 228 N LEU A 15 -1.093 -11.058 2.180 1.00 0.10 N ATOM 229 CA LEU A 15 -2.130 -10.902 1.121 1.00 0.24 C ATOM 230 C LEU A 15 -3.117 -12.067 1.195 1.00 0.38 C ATOM 231 O LEU A 15 -4.174 -12.035 0.595 1.00 0.58 O ATOM 232 CB LEU A 15 -1.445 -10.893 -0.249 1.00 0.30 C ATOM 233 CG LEU A 15 -0.622 -9.605 -0.403 1.00 0.30 C ATOM 234 CD1 LEU A 15 0.159 -9.670 -1.715 1.00 0.33 C ATOM 235 CD2 LEU A 15 -1.551 -8.383 -0.433 1.00 0.31 C ATOM 0 H LEU A 15 -0.201 -11.440 1.867 1.00 0.10 H new ATOM 0 HA LEU A 15 -2.670 -9.967 1.268 1.00 0.24 H new ATOM 0 HB2 LEU A 15 -0.798 -11.765 -0.350 1.00 0.30 H new ATOM 0 HB3 LEU A 15 -2.191 -10.957 -1.041 1.00 0.30 H new ATOM 0 HG LEU A 15 0.061 -9.513 0.441 1.00 0.30 H new ATOM 0 HD11 LEU A 15 0.747 -8.760 -1.834 1.00 0.33 H new ATOM 0 HD12 LEU A 15 0.825 -10.533 -1.700 1.00 0.33 H new ATOM 0 HD13 LEU A 15 -0.537 -9.764 -2.549 1.00 0.33 H new ATOM 0 HD21 LEU A 15 -0.956 -7.476 -0.542 1.00 0.31 H new ATOM 0 HD22 LEU A 15 -2.239 -8.469 -1.274 1.00 0.31 H new ATOM 0 HD23 LEU A 15 -2.119 -8.335 0.496 1.00 0.31 H new ATOM 247 N ASP A 16 -2.745 -13.077 1.931 1.00 0.36 N ATOM 248 CA ASP A 16 -3.645 -14.258 2.067 1.00 0.54 C ATOM 249 C ASP A 16 -4.487 -14.130 3.336 1.00 0.41 C ATOM 250 O ASP A 16 -5.498 -14.787 3.484 1.00 0.48 O ATOM 251 CB ASP A 16 -2.798 -15.528 2.140 1.00 0.73 C ATOM 252 CG ASP A 16 -3.716 -16.750 2.080 1.00 0.86 C ATOM 253 OD1 ASP A 16 -4.909 -16.525 1.962 1.00 2.02 O ATOM 254 OD2 ASP A 16 -3.172 -17.840 2.157 1.00 0.43 O ATOM 0 H ASP A 16 -1.864 -13.137 2.441 1.00 0.36 H new ATOM 0 HA ASP A 16 -4.310 -14.307 1.205 1.00 0.54 H new ATOM 0 HB2 ASP A 16 -2.086 -15.552 1.315 1.00 0.73 H new ATOM 0 HB3 ASP A 16 -2.217 -15.540 3.062 1.00 0.73 H new ATOM 259 N ALA A 17 -4.049 -13.285 4.223 1.00 0.25 N ATOM 260 CA ALA A 17 -4.810 -13.092 5.491 1.00 0.14 C ATOM 261 C ALA A 17 -5.847 -11.982 5.309 1.00 0.09 C ATOM 262 O ALA A 17 -6.818 -11.907 6.035 1.00 0.28 O ATOM 263 CB ALA A 17 -3.838 -12.702 6.602 1.00 0.27 C ATOM 0 H ALA A 17 -3.204 -12.722 4.129 1.00 0.25 H new ATOM 0 HA ALA A 17 -5.320 -14.019 5.754 1.00 0.14 H new ATOM 0 HB1 ALA A 17 -4.387 -12.559 7.533 1.00 0.27 H new ATOM 0 HB2 ALA A 17 -3.100 -13.493 6.734 1.00 0.27 H new ATOM 0 HB3 ALA A 17 -3.332 -11.775 6.334 1.00 0.27 H new ATOM 269 N ALA A 18 -5.613 -11.146 4.337 1.00 0.31 N ATOM 270 CA ALA A 18 -6.567 -10.031 4.078 1.00 0.35 C ATOM 271 C ALA A 18 -7.806 -10.557 3.349 1.00 0.29 C ATOM 272 O ALA A 18 -8.661 -9.795 2.942 1.00 0.29 O ATOM 273 CB ALA A 18 -5.877 -8.984 3.208 1.00 0.49 C ATOM 0 H ALA A 18 -4.807 -11.185 3.713 1.00 0.31 H new ATOM 0 HA ALA A 18 -6.874 -9.590 5.026 1.00 0.35 H new ATOM 0 HB1 ALA A 18 -6.566 -8.163 3.012 1.00 0.49 H new ATOM 0 HB2 ALA A 18 -4.997 -8.603 3.726 1.00 0.49 H new ATOM 0 HB3 ALA A 18 -5.575 -9.437 2.264 1.00 0.49 H new ATOM 279 N GLY A 19 -7.878 -11.851 3.201 1.00 0.25 N ATOM 280 CA GLY A 19 -9.050 -12.441 2.497 1.00 0.20 C ATOM 281 C GLY A 19 -8.908 -12.243 0.986 1.00 0.20 C ATOM 282 O GLY A 19 -7.909 -12.615 0.402 1.00 0.48 O ATOM 0 H GLY A 19 -7.183 -12.520 3.534 1.00 0.25 H new ATOM 0 HA2 GLY A 19 -9.126 -13.504 2.727 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.969 -11.973 2.849 1.00 0.20 H new ATOM 286 N ASP A 20 -9.915 -11.660 0.388 1.00 0.19 N ATOM 287 CA ASP A 20 -9.862 -11.423 -1.090 1.00 0.32 C ATOM 288 C ASP A 20 -10.332 -10.001 -1.422 1.00 0.39 C ATOM 289 O ASP A 20 -10.210 -9.554 -2.545 1.00 0.50 O ATOM 290 CB ASP A 20 -10.769 -12.434 -1.790 1.00 0.51 C ATOM 291 CG ASP A 20 -11.615 -13.161 -0.744 1.00 1.05 C ATOM 292 OD1 ASP A 20 -12.633 -12.594 -0.382 1.00 1.51 O ATOM 293 OD2 ASP A 20 -11.198 -14.243 -0.366 1.00 1.87 O ATOM 0 H ASP A 20 -10.765 -11.340 0.852 1.00 0.19 H new ATOM 0 HA ASP A 20 -8.834 -11.541 -1.433 1.00 0.32 H new ATOM 0 HB2 ASP A 20 -11.414 -11.926 -2.507 1.00 0.51 H new ATOM 0 HB3 ASP A 20 -10.169 -13.150 -2.352 1.00 0.51 H new ATOM 298 N LYS A 21 -10.862 -9.321 -0.441 1.00 0.36 N ATOM 299 CA LYS A 21 -11.334 -7.930 -0.694 1.00 0.50 C ATOM 300 C LYS A 21 -10.203 -7.105 -1.310 1.00 0.48 C ATOM 301 O LYS A 21 -9.155 -7.629 -1.630 1.00 0.77 O ATOM 302 CB LYS A 21 -11.766 -7.298 0.629 1.00 0.55 C ATOM 303 CG LYS A 21 -12.935 -8.099 1.213 1.00 0.61 C ATOM 304 CD LYS A 21 -12.472 -8.807 2.487 1.00 0.92 C ATOM 305 CE LYS A 21 -13.561 -9.779 2.940 1.00 1.35 C ATOM 306 NZ LYS A 21 -14.893 -9.111 2.929 1.00 1.91 N ATOM 0 H LYS A 21 -10.987 -9.663 0.512 1.00 0.36 H new ATOM 0 HA LYS A 21 -12.178 -7.951 -1.384 1.00 0.50 H new ATOM 0 HB2 LYS A 21 -10.931 -7.287 1.330 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -12.063 -6.261 0.471 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -13.771 -7.436 1.434 1.00 0.61 H new ATOM 0 HG3 LYS A 21 -13.291 -8.829 0.486 1.00 0.61 H new ATOM 0 HD2 LYS A 21 -11.541 -9.344 2.302 1.00 0.92 H new ATOM 0 HD3 LYS A 21 -12.269 -8.077 3.271 1.00 0.92 H new ATOM 0 HE2 LYS A 21 -13.578 -10.648 2.282 1.00 1.35 H new ATOM 0 HE3 LYS A 21 -13.338 -10.143 3.943 1.00 1.35 H new ATOM 0 HZ1 LYS A 21 -15.510 -9.555 3.639 1.00 1.91 H new ATOM 0 HZ2 LYS A 21 -14.777 -8.102 3.153 1.00 1.91 H new ATOM 0 HZ3 LYS A 21 -15.323 -9.209 1.987 1.00 1.91 H new ATOM 320 N LEU A 22 -10.435 -5.832 -1.466 1.00 0.20 N ATOM 321 CA LEU A 22 -9.377 -4.972 -2.062 1.00 0.18 C ATOM 322 C LEU A 22 -8.193 -4.845 -1.093 1.00 0.17 C ATOM 323 O LEU A 22 -8.381 -4.694 0.099 1.00 0.21 O ATOM 324 CB LEU A 22 -9.968 -3.586 -2.353 1.00 0.23 C ATOM 325 CG LEU A 22 -8.905 -2.691 -3.007 1.00 1.09 C ATOM 326 CD1 LEU A 22 -8.452 -3.313 -4.329 1.00 1.49 C ATOM 327 CD2 LEU A 22 -9.516 -1.316 -3.285 1.00 1.69 C ATOM 0 H LEU A 22 -11.300 -5.355 -1.210 1.00 0.20 H new ATOM 0 HA LEU A 22 -9.019 -5.421 -2.989 1.00 0.18 H new ATOM 0 HB2 LEU A 22 -10.832 -3.680 -3.011 1.00 0.23 H new ATOM 0 HB3 LEU A 22 -10.321 -3.130 -1.428 1.00 0.23 H new ATOM 0 HG LEU A 22 -8.049 -2.593 -2.339 1.00 1.09 H new ATOM 0 HD11 LEU A 22 -7.698 -2.676 -4.791 1.00 1.49 H new ATOM 0 HD12 LEU A 22 -8.028 -4.299 -4.141 1.00 1.49 H new ATOM 0 HD13 LEU A 22 -9.307 -3.407 -4.999 1.00 1.49 H new ATOM 0 HD21 LEU A 22 -8.769 -0.673 -3.750 1.00 1.69 H new ATOM 0 HD22 LEU A 22 -10.368 -1.425 -3.956 1.00 1.69 H new ATOM 0 HD23 LEU A 22 -9.847 -0.869 -2.348 1.00 1.69 H new ATOM 339 N VAL A 23 -7.000 -4.914 -1.632 1.00 0.13 N ATOM 340 CA VAL A 23 -5.784 -4.801 -0.768 1.00 0.14 C ATOM 341 C VAL A 23 -4.795 -3.814 -1.400 1.00 0.12 C ATOM 342 O VAL A 23 -4.106 -4.142 -2.343 1.00 0.16 O ATOM 343 CB VAL A 23 -5.125 -6.179 -0.649 1.00 0.17 C ATOM 344 CG1 VAL A 23 -4.231 -6.207 0.588 1.00 0.19 C ATOM 345 CG2 VAL A 23 -6.206 -7.251 -0.505 1.00 0.21 C ATOM 0 H VAL A 23 -6.816 -5.043 -2.627 1.00 0.13 H new ATOM 0 HA VAL A 23 -6.068 -4.442 0.221 1.00 0.14 H new ATOM 0 HB VAL A 23 -4.530 -6.373 -1.541 1.00 0.17 H new ATOM 0 HG11 VAL A 23 -3.761 -7.187 0.675 1.00 0.19 H new ATOM 0 HG12 VAL A 23 -3.460 -5.441 0.497 1.00 0.19 H new ATOM 0 HG13 VAL A 23 -4.832 -6.013 1.476 1.00 0.19 H new ATOM 0 HG21 VAL A 23 -5.737 -8.231 -0.420 1.00 0.21 H new ATOM 0 HG22 VAL A 23 -6.798 -7.053 0.389 1.00 0.21 H new ATOM 0 HG23 VAL A 23 -6.855 -7.233 -1.381 1.00 0.21 H new ATOM 355 N VAL A 24 -4.747 -2.625 -0.860 1.00 0.10 N ATOM 356 CA VAL A 24 -3.819 -1.599 -1.429 1.00 0.13 C ATOM 357 C VAL A 24 -2.525 -1.540 -0.606 1.00 0.21 C ATOM 358 O VAL A 24 -2.529 -1.824 0.575 1.00 0.55 O ATOM 359 CB VAL A 24 -4.511 -0.235 -1.388 1.00 0.16 C ATOM 360 CG1 VAL A 24 -3.587 0.820 -1.999 1.00 0.18 C ATOM 361 CG2 VAL A 24 -5.806 -0.301 -2.199 1.00 0.19 C ATOM 0 H VAL A 24 -5.302 -2.320 -0.060 1.00 0.10 H new ATOM 0 HA VAL A 24 -3.569 -1.865 -2.456 1.00 0.13 H new ATOM 0 HB VAL A 24 -4.737 0.030 -0.355 1.00 0.16 H new ATOM 0 HG11 VAL A 24 -4.077 1.793 -1.971 1.00 0.18 H new ATOM 0 HG12 VAL A 24 -2.659 0.865 -1.429 1.00 0.18 H new ATOM 0 HG13 VAL A 24 -3.365 0.555 -3.033 1.00 0.18 H new ATOM 0 HG21 VAL A 24 -6.302 0.669 -2.172 1.00 0.19 H new ATOM 0 HG22 VAL A 24 -5.576 -0.562 -3.232 1.00 0.19 H new ATOM 0 HG23 VAL A 24 -6.465 -1.057 -1.772 1.00 0.19 H new ATOM 371 N VAL A 25 -1.442 -1.172 -1.257 1.00 0.11 N ATOM 372 CA VAL A 25 -0.130 -1.080 -0.530 1.00 0.07 C ATOM 373 C VAL A 25 0.489 0.302 -0.721 1.00 0.09 C ATOM 374 O VAL A 25 0.502 0.828 -1.816 1.00 0.26 O ATOM 375 CB VAL A 25 0.843 -2.123 -1.083 1.00 0.05 C ATOM 376 CG1 VAL A 25 2.154 -2.052 -0.295 1.00 0.04 C ATOM 377 CG2 VAL A 25 0.255 -3.523 -0.940 1.00 0.09 C ATOM 0 H VAL A 25 -1.409 -0.934 -2.248 1.00 0.11 H new ATOM 0 HA VAL A 25 -0.314 -1.257 0.530 1.00 0.07 H new ATOM 0 HB VAL A 25 1.023 -1.917 -2.138 1.00 0.05 H new ATOM 0 HG11 VAL A 25 2.853 -2.793 -0.684 1.00 0.04 H new ATOM 0 HG12 VAL A 25 2.586 -1.057 -0.397 1.00 0.04 H new ATOM 0 HG13 VAL A 25 1.957 -2.256 0.758 1.00 0.04 H new ATOM 0 HG21 VAL A 25 0.958 -4.255 -1.337 1.00 0.09 H new ATOM 0 HG22 VAL A 25 0.069 -3.733 0.113 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.682 -3.582 -1.493 1.00 0.09 H new ATOM 387 N ASP A 26 0.992 0.858 0.352 1.00 0.22 N ATOM 388 CA ASP A 26 1.635 2.203 0.250 1.00 0.21 C ATOM 389 C ASP A 26 3.158 2.058 0.317 1.00 0.19 C ATOM 390 O ASP A 26 3.738 2.060 1.385 1.00 0.18 O ATOM 391 CB ASP A 26 1.159 3.072 1.406 1.00 0.20 C ATOM 392 CG ASP A 26 1.740 4.479 1.252 1.00 0.25 C ATOM 393 OD1 ASP A 26 2.055 4.814 0.122 1.00 1.15 O ATOM 394 OD2 ASP A 26 1.836 5.139 2.273 1.00 1.29 O ATOM 0 H ASP A 26 0.986 0.444 1.284 1.00 0.22 H new ATOM 0 HA ASP A 26 1.361 2.665 -0.699 1.00 0.21 H new ATOM 0 HB2 ASP A 26 0.070 3.115 1.419 1.00 0.20 H new ATOM 0 HB3 ASP A 26 1.473 2.638 2.356 1.00 0.20 H new ATOM 399 N PHE A 27 3.768 1.929 -0.825 1.00 0.21 N ATOM 400 CA PHE A 27 5.253 1.785 -0.852 1.00 0.20 C ATOM 401 C PHE A 27 5.918 3.150 -0.664 1.00 0.20 C ATOM 402 O PHE A 27 6.029 3.924 -1.594 1.00 0.24 O ATOM 403 CB PHE A 27 5.664 1.193 -2.195 1.00 0.20 C ATOM 404 CG PHE A 27 5.340 -0.300 -2.208 1.00 0.18 C ATOM 405 CD1 PHE A 27 6.213 -1.209 -1.637 1.00 0.19 C ATOM 406 CD2 PHE A 27 4.171 -0.766 -2.792 1.00 0.16 C ATOM 407 CE1 PHE A 27 5.926 -2.557 -1.649 1.00 0.18 C ATOM 408 CE2 PHE A 27 3.892 -2.119 -2.799 1.00 0.15 C ATOM 409 CZ PHE A 27 4.768 -3.009 -2.229 1.00 0.16 C ATOM 0 H PHE A 27 3.310 1.917 -1.736 1.00 0.21 H new ATOM 0 HA PHE A 27 5.571 1.128 -0.042 1.00 0.20 H new ATOM 0 HB2 PHE A 27 5.138 1.698 -3.005 1.00 0.20 H new ATOM 0 HB3 PHE A 27 6.730 1.347 -2.363 1.00 0.20 H new ATOM 0 HD1 PHE A 27 7.126 -0.860 -1.178 1.00 0.19 H new ATOM 0 HD2 PHE A 27 3.478 -0.070 -3.242 1.00 0.16 H new ATOM 0 HE1 PHE A 27 6.614 -3.259 -1.201 1.00 0.18 H new ATOM 0 HE2 PHE A 27 2.981 -2.478 -3.255 1.00 0.15 H new ATOM 0 HZ PHE A 27 4.545 -4.066 -2.237 1.00 0.16 H new ATOM 419 N SER A 28 6.348 3.414 0.542 1.00 0.17 N ATOM 420 CA SER A 28 7.008 4.726 0.814 1.00 0.17 C ATOM 421 C SER A 28 8.164 4.544 1.801 1.00 0.08 C ATOM 422 O SER A 28 8.370 3.472 2.329 1.00 0.13 O ATOM 423 CB SER A 28 5.982 5.686 1.409 1.00 0.30 C ATOM 424 OG SER A 28 6.193 5.594 2.810 1.00 1.06 O ATOM 0 H SER A 28 6.272 2.786 1.342 1.00 0.17 H new ATOM 0 HA SER A 28 7.401 5.129 -0.119 1.00 0.17 H new ATOM 0 HB2 SER A 28 6.133 6.704 1.049 1.00 0.30 H new ATOM 0 HB3 SER A 28 4.965 5.400 1.139 1.00 0.30 H new ATOM 0 HG SER A 28 5.568 6.188 3.275 1.00 1.06 H new ATOM 430 N ALA A 29 8.890 5.604 2.028 1.00 0.22 N ATOM 431 CA ALA A 29 10.041 5.521 2.975 1.00 0.36 C ATOM 432 C ALA A 29 9.639 6.055 4.352 1.00 0.47 C ATOM 433 O ALA A 29 8.747 6.873 4.467 1.00 0.33 O ATOM 434 CB ALA A 29 11.196 6.358 2.429 1.00 0.45 C ATOM 0 H ALA A 29 8.739 6.519 1.603 1.00 0.22 H new ATOM 0 HA ALA A 29 10.345 4.479 3.076 1.00 0.36 H new ATOM 0 HB1 ALA A 29 12.041 6.303 3.115 1.00 0.45 H new ATOM 0 HB2 ALA A 29 11.495 5.974 1.454 1.00 0.45 H new ATOM 0 HB3 ALA A 29 10.878 7.396 2.328 1.00 0.45 H new ATOM 440 N THR A 30 10.308 5.579 5.370 1.00 0.88 N ATOM 441 CA THR A 30 9.986 6.049 6.750 1.00 1.07 C ATOM 442 C THR A 30 10.993 7.117 7.183 1.00 1.18 C ATOM 443 O THR A 30 10.627 8.146 7.716 1.00 1.33 O ATOM 444 CB THR A 30 10.047 4.859 7.714 1.00 1.33 C ATOM 445 OG1 THR A 30 9.636 5.389 8.970 1.00 1.64 O ATOM 446 CG2 THR A 30 11.482 4.382 7.929 1.00 1.50 C ATOM 0 H THR A 30 11.058 4.890 5.307 1.00 0.88 H new ATOM 0 HA THR A 30 8.985 6.480 6.764 1.00 1.07 H new ATOM 0 HB THR A 30 9.446 4.036 7.327 1.00 1.33 H new ATOM 0 HG1 THR A 30 9.648 4.678 9.645 1.00 1.64 H new ATOM 0 HG21 THR A 30 11.485 3.537 8.618 1.00 1.50 H new ATOM 0 HG22 THR A 30 11.910 4.074 6.975 1.00 1.50 H new ATOM 0 HG23 THR A 30 12.076 5.194 8.348 1.00 1.50 H new ATOM 454 N TRP A 31 12.242 6.845 6.942 1.00 1.15 N ATOM 455 CA TRP A 31 13.300 7.824 7.318 1.00 1.29 C ATOM 456 C TRP A 31 13.021 9.179 6.659 1.00 1.13 C ATOM 457 O TRP A 31 13.109 10.212 7.292 1.00 1.23 O ATOM 458 CB TRP A 31 14.637 7.296 6.817 1.00 1.40 C ATOM 459 CG TRP A 31 14.511 7.028 5.317 1.00 1.21 C ATOM 460 CD1 TRP A 31 14.057 5.889 4.804 1.00 1.11 C ATOM 461 CD2 TRP A 31 14.797 7.898 4.360 1.00 1.15 C ATOM 462 NE1 TRP A 31 14.080 6.106 3.482 1.00 0.96 N ATOM 463 CE2 TRP A 31 14.531 7.351 3.118 1.00 1.00 C ATOM 464 CE3 TRP A 31 15.276 9.199 4.440 1.00 1.25 C ATOM 465 CZ2 TRP A 31 14.739 8.088 1.976 1.00 1.00 C ATOM 466 CZ3 TRP A 31 15.484 9.932 3.289 1.00 1.24 C ATOM 467 CH2 TRP A 31 15.217 9.376 2.059 1.00 1.14 C ATOM 0 H TRP A 31 12.578 5.989 6.501 1.00 1.15 H new ATOM 0 HA TRP A 31 13.315 7.952 8.400 1.00 1.29 H new ATOM 0 HB2 TRP A 31 15.428 8.021 7.009 1.00 1.40 H new ATOM 0 HB3 TRP A 31 14.907 6.382 7.345 1.00 1.40 H new ATOM 0 HD1 TRP A 31 13.744 4.999 5.329 1.00 1.11 H new ATOM 0 HE1 TRP A 31 13.787 5.404 2.802 1.00 0.96 H new ATOM 0 HE3 TRP A 31 15.486 9.638 5.404 1.00 1.25 H new ATOM 0 HZ2 TRP A 31 14.526 7.654 1.010 1.00 1.00 H new ATOM 0 HZ3 TRP A 31 15.857 10.943 3.354 1.00 1.24 H new ATOM 0 HH2 TRP A 31 15.382 9.950 1.159 1.00 1.14 H new ATOM 478 N CYS A 32 12.688 9.139 5.396 1.00 0.90 N ATOM 479 CA CYS A 32 12.407 10.408 4.670 1.00 0.79 C ATOM 480 C CYS A 32 11.204 11.121 5.295 1.00 0.72 C ATOM 481 O CYS A 32 10.471 10.539 6.071 1.00 0.70 O ATOM 482 CB CYS A 32 12.106 10.090 3.212 1.00 0.74 C ATOM 483 SG CYS A 32 12.603 11.314 1.974 1.00 1.37 S ATOM 0 H CYS A 32 12.599 8.288 4.841 1.00 0.90 H new ATOM 0 HA CYS A 32 13.277 11.061 4.738 1.00 0.79 H new ATOM 0 HB2 CYS A 32 12.591 9.146 2.966 1.00 0.74 H new ATOM 0 HB3 CYS A 32 11.032 9.931 3.116 1.00 0.74 H new ATOM 0 HG CYS A 32 13.834 11.096 1.618 1.00 1.37 H new ATOM 489 N GLY A 33 11.031 12.364 4.943 1.00 0.73 N ATOM 490 CA GLY A 33 9.881 13.140 5.504 1.00 0.74 C ATOM 491 C GLY A 33 8.713 13.217 4.500 1.00 0.78 C ATOM 492 O GLY A 33 7.682 12.605 4.697 1.00 0.86 O ATOM 0 H GLY A 33 11.630 12.877 4.296 1.00 0.73 H new ATOM 0 HA2 GLY A 33 9.539 12.672 6.427 1.00 0.74 H new ATOM 0 HA3 GLY A 33 10.210 14.147 5.760 1.00 0.74 H new ATOM 496 N PRO A 34 8.909 13.973 3.435 1.00 0.77 N ATOM 497 CA PRO A 34 7.873 14.150 2.402 1.00 0.82 C ATOM 498 C PRO A 34 7.269 12.809 1.964 1.00 0.84 C ATOM 499 O PRO A 34 6.232 12.775 1.333 1.00 1.08 O ATOM 500 CB PRO A 34 8.590 14.835 1.235 1.00 0.82 C ATOM 501 CG PRO A 34 10.005 15.250 1.744 1.00 0.80 C ATOM 502 CD PRO A 34 10.171 14.677 3.165 1.00 0.77 C ATOM 0 HA PRO A 34 7.035 14.739 2.775 1.00 0.82 H new ATOM 0 HB2 PRO A 34 8.670 14.160 0.383 1.00 0.82 H new ATOM 0 HB3 PRO A 34 8.031 15.708 0.899 1.00 0.82 H new ATOM 0 HG2 PRO A 34 10.780 14.864 1.082 1.00 0.80 H new ATOM 0 HG3 PRO A 34 10.106 16.335 1.754 1.00 0.80 H new ATOM 0 HD2 PRO A 34 11.022 13.999 3.221 1.00 0.77 H new ATOM 0 HD3 PRO A 34 10.346 15.469 3.893 1.00 0.77 H new ATOM 510 N CYS A 35 7.924 11.738 2.303 1.00 0.60 N ATOM 511 CA CYS A 35 7.377 10.405 1.912 1.00 0.65 C ATOM 512 C CYS A 35 6.434 9.894 3.002 1.00 0.75 C ATOM 513 O CYS A 35 5.388 9.346 2.712 1.00 0.81 O ATOM 514 CB CYS A 35 8.525 9.419 1.726 1.00 0.66 C ATOM 515 SG CYS A 35 9.910 9.946 0.685 1.00 0.52 S ATOM 0 H CYS A 35 8.800 11.722 2.825 1.00 0.60 H new ATOM 0 HA CYS A 35 6.826 10.502 0.977 1.00 0.65 H new ATOM 0 HB2 CYS A 35 8.919 9.170 2.711 1.00 0.66 H new ATOM 0 HB3 CYS A 35 8.116 8.501 1.305 1.00 0.66 H new ATOM 0 HG CYS A 35 10.681 10.745 1.361 1.00 0.52 H new ATOM 521 N LYS A 36 6.822 10.082 4.236 1.00 0.78 N ATOM 522 CA LYS A 36 5.951 9.624 5.348 1.00 0.90 C ATOM 523 C LYS A 36 5.013 10.764 5.760 1.00 0.88 C ATOM 524 O LYS A 36 4.201 10.612 6.641 1.00 0.96 O ATOM 525 CB LYS A 36 6.821 9.228 6.542 1.00 1.04 C ATOM 526 CG LYS A 36 5.989 8.372 7.513 1.00 1.39 C ATOM 527 CD LYS A 36 6.234 8.819 8.963 1.00 0.55 C ATOM 528 CE LYS A 36 7.741 8.897 9.240 1.00 1.50 C ATOM 529 NZ LYS A 36 8.048 8.367 10.599 1.00 1.82 N ATOM 0 H LYS A 36 7.695 10.528 4.516 1.00 0.78 H new ATOM 0 HA LYS A 36 5.363 8.766 5.023 1.00 0.90 H new ATOM 0 HB2 LYS A 36 7.693 8.670 6.202 1.00 1.04 H new ATOM 0 HB3 LYS A 36 7.191 10.119 7.049 1.00 1.04 H new ATOM 0 HG2 LYS A 36 4.930 8.462 7.272 1.00 1.39 H new ATOM 0 HG3 LYS A 36 6.254 7.321 7.400 1.00 1.39 H new ATOM 0 HD2 LYS A 36 5.773 9.792 9.135 1.00 0.55 H new ATOM 0 HD3 LYS A 36 5.765 8.117 9.653 1.00 0.55 H new ATOM 0 HE2 LYS A 36 8.285 8.325 8.488 1.00 1.50 H new ATOM 0 HE3 LYS A 36 8.079 9.930 9.161 1.00 1.50 H new ATOM 0 HZ1 LYS A 36 9.072 8.426 10.772 1.00 1.82 H new ATOM 0 HZ2 LYS A 36 7.543 8.930 11.313 1.00 1.82 H new ATOM 0 HZ3 LYS A 36 7.744 7.375 10.662 1.00 1.82 H new ATOM 543 N MET A 37 5.162 11.890 5.117 1.00 0.79 N ATOM 544 CA MET A 37 4.278 13.047 5.451 1.00 0.79 C ATOM 545 C MET A 37 2.885 12.807 4.865 1.00 0.73 C ATOM 546 O MET A 37 1.941 13.506 5.174 1.00 0.65 O ATOM 547 CB MET A 37 4.878 14.319 4.854 1.00 0.72 C ATOM 548 CG MET A 37 4.645 15.489 5.812 1.00 0.91 C ATOM 549 SD MET A 37 4.924 17.158 5.166 1.00 0.67 S ATOM 550 CE MET A 37 3.911 18.049 6.375 1.00 0.86 C ATOM 0 H MET A 37 5.849 12.060 4.383 1.00 0.79 H new ATOM 0 HA MET A 37 4.198 13.154 6.533 1.00 0.79 H new ATOM 0 HB2 MET A 37 5.946 14.184 4.680 1.00 0.72 H new ATOM 0 HB3 MET A 37 4.422 14.530 3.887 1.00 0.72 H new ATOM 0 HG2 MET A 37 3.617 15.433 6.169 1.00 0.91 H new ATOM 0 HG3 MET A 37 5.292 15.350 6.678 1.00 0.91 H new ATOM 0 HE1 MET A 37 3.942 19.117 6.159 1.00 0.86 H new ATOM 0 HE2 MET A 37 2.881 17.697 6.317 1.00 0.86 H new ATOM 0 HE3 MET A 37 4.300 17.870 7.378 1.00 0.86 H new ATOM 560 N ILE A 38 2.800 11.815 4.024 1.00 0.80 N ATOM 561 CA ILE A 38 1.492 11.480 3.389 1.00 0.77 C ATOM 562 C ILE A 38 0.727 10.476 4.277 1.00 0.61 C ATOM 563 O ILE A 38 -0.358 10.041 3.946 1.00 0.59 O ATOM 564 CB ILE A 38 1.784 10.877 1.999 1.00 1.05 C ATOM 565 CG1 ILE A 38 2.045 12.015 1.007 1.00 1.09 C ATOM 566 CG2 ILE A 38 0.592 10.058 1.503 1.00 1.35 C ATOM 567 CD1 ILE A 38 3.127 12.939 1.569 1.00 1.64 C ATOM 0 H ILE A 38 3.581 11.220 3.747 1.00 0.80 H new ATOM 0 HA ILE A 38 0.871 12.369 3.280 1.00 0.77 H new ATOM 0 HB ILE A 38 2.654 10.225 2.076 1.00 1.05 H new ATOM 0 HG12 ILE A 38 2.361 11.609 0.046 1.00 1.09 H new ATOM 0 HG13 ILE A 38 1.127 12.576 0.830 1.00 1.09 H new ATOM 0 HG21 ILE A 38 0.819 9.642 0.521 1.00 1.35 H new ATOM 0 HG22 ILE A 38 0.391 9.247 2.203 1.00 1.35 H new ATOM 0 HG23 ILE A 38 -0.286 10.700 1.430 1.00 1.35 H new ATOM 0 HD11 ILE A 38 3.315 13.750 0.865 1.00 1.64 H new ATOM 0 HD12 ILE A 38 2.793 13.354 2.520 1.00 1.64 H new ATOM 0 HD13 ILE A 38 4.045 12.372 1.723 1.00 1.64 H new ATOM 579 N LYS A 39 1.306 10.157 5.406 1.00 0.62 N ATOM 580 CA LYS A 39 0.646 9.181 6.332 1.00 0.61 C ATOM 581 C LYS A 39 -0.784 9.633 6.750 1.00 0.38 C ATOM 582 O LYS A 39 -1.726 8.885 6.594 1.00 0.33 O ATOM 583 CB LYS A 39 1.511 9.000 7.591 1.00 0.70 C ATOM 584 CG LYS A 39 2.125 7.594 7.621 1.00 0.78 C ATOM 585 CD LYS A 39 2.803 7.386 8.974 1.00 0.78 C ATOM 586 CE LYS A 39 3.479 6.011 8.997 1.00 1.12 C ATOM 587 NZ LYS A 39 4.202 5.805 10.284 1.00 1.06 N ATOM 0 H LYS A 39 2.201 10.526 5.727 1.00 0.62 H new ATOM 0 HA LYS A 39 0.549 8.237 5.795 1.00 0.61 H new ATOM 0 HB2 LYS A 39 2.302 9.750 7.607 1.00 0.70 H new ATOM 0 HB3 LYS A 39 0.904 9.158 8.483 1.00 0.70 H new ATOM 0 HG2 LYS A 39 1.353 6.841 7.465 1.00 0.78 H new ATOM 0 HG3 LYS A 39 2.849 7.480 6.814 1.00 0.78 H new ATOM 0 HD2 LYS A 39 3.541 8.169 9.148 1.00 0.78 H new ATOM 0 HD3 LYS A 39 2.068 7.456 9.776 1.00 0.78 H new ATOM 0 HE2 LYS A 39 2.731 5.229 8.864 1.00 1.12 H new ATOM 0 HE3 LYS A 39 4.177 5.929 8.164 1.00 1.12 H new ATOM 0 HZ1 LYS A 39 5.067 5.254 10.112 1.00 1.06 H new ATOM 0 HZ2 LYS A 39 4.455 6.728 10.692 1.00 1.06 H new ATOM 0 HZ3 LYS A 39 3.589 5.290 10.948 1.00 1.06 H new ATOM 601 N PRO A 40 -0.927 10.852 7.274 1.00 0.26 N ATOM 602 CA PRO A 40 -2.246 11.333 7.726 1.00 0.16 C ATOM 603 C PRO A 40 -3.296 11.252 6.609 1.00 0.08 C ATOM 604 O PRO A 40 -4.447 11.576 6.821 1.00 0.24 O ATOM 605 CB PRO A 40 -2.026 12.788 8.153 1.00 0.17 C ATOM 606 CG PRO A 40 -0.504 13.089 8.015 1.00 0.08 C ATOM 607 CD PRO A 40 0.167 11.833 7.429 1.00 0.31 C ATOM 0 HA PRO A 40 -2.628 10.718 8.541 1.00 0.16 H new ATOM 0 HB2 PRO A 40 -2.609 13.464 7.528 1.00 0.17 H new ATOM 0 HB3 PRO A 40 -2.356 12.940 9.181 1.00 0.17 H new ATOM 0 HG2 PRO A 40 -0.341 13.949 7.365 1.00 0.08 H new ATOM 0 HG3 PRO A 40 -0.073 13.336 8.985 1.00 0.08 H new ATOM 0 HD2 PRO A 40 0.642 12.049 6.472 1.00 0.31 H new ATOM 0 HD3 PRO A 40 0.945 11.455 8.092 1.00 0.31 H new ATOM 615 N PHE A 41 -2.874 10.832 5.444 1.00 0.14 N ATOM 616 CA PHE A 41 -3.839 10.717 4.305 1.00 0.17 C ATOM 617 C PHE A 41 -4.166 9.241 4.021 1.00 0.16 C ATOM 618 O PHE A 41 -5.313 8.840 4.048 1.00 0.20 O ATOM 619 CB PHE A 41 -3.217 11.356 3.068 1.00 0.28 C ATOM 620 CG PHE A 41 -3.031 12.854 3.317 1.00 0.47 C ATOM 621 CD1 PHE A 41 -1.917 13.320 3.995 1.00 0.64 C ATOM 622 CD2 PHE A 41 -3.975 13.764 2.869 1.00 0.52 C ATOM 623 CE1 PHE A 41 -1.751 14.673 4.220 1.00 0.81 C ATOM 624 CE2 PHE A 41 -3.806 15.115 3.095 1.00 0.72 C ATOM 625 CZ PHE A 41 -2.695 15.568 3.771 1.00 0.85 C ATOM 0 H PHE A 41 -1.913 10.566 5.231 1.00 0.14 H new ATOM 0 HA PHE A 41 -4.766 11.229 4.564 1.00 0.17 H new ATOM 0 HB2 PHE A 41 -2.257 10.890 2.847 1.00 0.28 H new ATOM 0 HB3 PHE A 41 -3.857 11.196 2.200 1.00 0.28 H new ATOM 0 HD1 PHE A 41 -1.174 12.622 4.350 1.00 0.64 H new ATOM 0 HD2 PHE A 41 -4.849 13.414 2.340 1.00 0.52 H new ATOM 0 HE1 PHE A 41 -0.879 15.029 4.749 1.00 0.81 H new ATOM 0 HE2 PHE A 41 -4.546 15.818 2.741 1.00 0.72 H new ATOM 0 HZ PHE A 41 -2.565 16.625 3.949 1.00 0.85 H new ATOM 635 N PHE A 42 -3.145 8.466 3.755 1.00 0.16 N ATOM 636 CA PHE A 42 -3.371 7.015 3.458 1.00 0.16 C ATOM 637 C PHE A 42 -3.544 6.221 4.755 1.00 0.16 C ATOM 638 O PHE A 42 -4.271 5.248 4.803 1.00 0.15 O ATOM 639 CB PHE A 42 -2.158 6.471 2.701 1.00 0.20 C ATOM 640 CG PHE A 42 -2.321 4.961 2.485 1.00 0.21 C ATOM 641 CD1 PHE A 42 -3.131 4.484 1.469 1.00 0.20 C ATOM 642 CD2 PHE A 42 -1.660 4.050 3.300 1.00 0.27 C ATOM 643 CE1 PHE A 42 -3.278 3.127 1.271 1.00 0.20 C ATOM 644 CE2 PHE A 42 -1.812 2.693 3.098 1.00 0.30 C ATOM 645 CZ PHE A 42 -2.620 2.234 2.084 1.00 0.24 C ATOM 0 H PHE A 42 -2.172 8.770 3.730 1.00 0.16 H new ATOM 0 HA PHE A 42 -4.275 6.913 2.858 1.00 0.16 H new ATOM 0 HB2 PHE A 42 -2.059 6.977 1.741 1.00 0.20 H new ATOM 0 HB3 PHE A 42 -1.246 6.672 3.263 1.00 0.20 H new ATOM 0 HD1 PHE A 42 -3.651 5.179 0.827 1.00 0.20 H new ATOM 0 HD2 PHE A 42 -1.023 4.406 4.096 1.00 0.27 H new ATOM 0 HE1 PHE A 42 -3.912 2.765 0.475 1.00 0.20 H new ATOM 0 HE2 PHE A 42 -1.296 1.991 3.737 1.00 0.30 H new ATOM 0 HZ PHE A 42 -2.738 1.172 1.926 1.00 0.24 H new ATOM 655 N HIS A 43 -2.870 6.657 5.777 1.00 0.23 N ATOM 656 CA HIS A 43 -2.956 5.939 7.078 1.00 0.25 C ATOM 657 C HIS A 43 -4.290 6.255 7.771 1.00 0.26 C ATOM 658 O HIS A 43 -4.729 5.528 8.640 1.00 0.30 O ATOM 659 CB HIS A 43 -1.794 6.400 7.954 1.00 0.27 C ATOM 660 CG HIS A 43 -1.573 5.407 9.093 1.00 0.32 C ATOM 661 ND1 HIS A 43 -2.433 4.603 9.522 1.00 0.27 N ATOM 662 CD2 HIS A 43 -0.441 5.176 9.857 1.00 0.45 C ATOM 663 CE1 HIS A 43 -1.972 3.890 10.465 1.00 0.34 C ATOM 664 NE2 HIS A 43 -0.703 4.188 10.751 1.00 0.45 N ATOM 0 H HIS A 43 -2.264 7.477 5.770 1.00 0.23 H new ATOM 0 HA HIS A 43 -2.902 4.863 6.914 1.00 0.25 H new ATOM 0 HB2 HIS A 43 -0.888 6.486 7.355 1.00 0.27 H new ATOM 0 HB3 HIS A 43 -2.004 7.390 8.359 1.00 0.27 H new ATOM 0 HD1 HIS A 43 -3.384 4.531 9.159 1.00 0.27 H new ATOM 0 HD2 HIS A 43 0.499 5.698 9.758 1.00 0.45 H new ATOM 0 HE1 HIS A 43 -2.542 3.129 10.978 1.00 0.34 H new ATOM 672 N SER A 44 -4.908 7.333 7.371 1.00 0.24 N ATOM 673 CA SER A 44 -6.210 7.703 7.999 1.00 0.25 C ATOM 674 C SER A 44 -7.344 6.880 7.387 1.00 0.21 C ATOM 675 O SER A 44 -8.450 6.872 7.890 1.00 0.17 O ATOM 676 CB SER A 44 -6.476 9.187 7.771 1.00 0.28 C ATOM 677 OG SER A 44 -7.269 9.575 8.883 1.00 1.41 O ATOM 0 H SER A 44 -4.574 7.967 6.646 1.00 0.24 H new ATOM 0 HA SER A 44 -6.162 7.497 9.068 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.547 9.756 7.727 1.00 0.28 H new ATOM 0 HB3 SER A 44 -6.999 9.358 6.830 1.00 0.28 H new ATOM 0 HG SER A 44 -7.955 8.895 9.049 1.00 1.41 H new ATOM 683 N LEU A 45 -7.047 6.206 6.312 1.00 0.23 N ATOM 684 CA LEU A 45 -8.098 5.373 5.660 1.00 0.21 C ATOM 685 C LEU A 45 -8.426 4.169 6.547 1.00 0.08 C ATOM 686 O LEU A 45 -9.397 3.475 6.324 1.00 0.02 O ATOM 687 CB LEU A 45 -7.589 4.883 4.303 1.00 0.33 C ATOM 688 CG LEU A 45 -7.168 6.086 3.449 1.00 0.40 C ATOM 689 CD1 LEU A 45 -6.631 5.582 2.108 1.00 0.55 C ATOM 690 CD2 LEU A 45 -8.383 6.985 3.195 1.00 0.36 C ATOM 0 H LEU A 45 -6.133 6.194 5.860 1.00 0.23 H new ATOM 0 HA LEU A 45 -8.998 5.972 5.518 1.00 0.21 H new ATOM 0 HB2 LEU A 45 -6.744 4.209 4.442 1.00 0.33 H new ATOM 0 HB3 LEU A 45 -8.368 4.317 3.793 1.00 0.33 H new ATOM 0 HG LEU A 45 -6.397 6.653 3.971 1.00 0.40 H new ATOM 0 HD11 LEU A 45 -6.329 6.431 1.495 1.00 0.55 H new ATOM 0 HD12 LEU A 45 -5.771 4.935 2.280 1.00 0.55 H new ATOM 0 HD13 LEU A 45 -7.410 5.020 1.592 1.00 0.55 H new ATOM 0 HD21 LEU A 45 -8.083 7.839 2.588 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -9.151 6.418 2.669 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -8.780 7.338 4.147 1.00 0.36 H new ATOM 702 N SER A 46 -7.601 3.949 7.536 1.00 0.12 N ATOM 703 CA SER A 46 -7.845 2.797 8.451 1.00 0.18 C ATOM 704 C SER A 46 -9.294 2.821 8.953 1.00 0.24 C ATOM 705 O SER A 46 -9.905 1.788 9.146 1.00 0.34 O ATOM 706 CB SER A 46 -6.897 2.897 9.645 1.00 0.37 C ATOM 707 OG SER A 46 -7.684 2.473 10.749 1.00 1.28 O ATOM 0 H SER A 46 -6.777 4.511 7.748 1.00 0.12 H new ATOM 0 HA SER A 46 -7.670 1.866 7.911 1.00 0.18 H new ATOM 0 HB2 SER A 46 -6.021 2.262 9.513 1.00 0.37 H new ATOM 0 HB3 SER A 46 -6.534 3.916 9.782 1.00 0.37 H new ATOM 0 HG SER A 46 -7.145 2.506 11.567 1.00 1.28 H new ATOM 713 N GLU A 47 -9.811 4.006 9.155 1.00 0.27 N ATOM 714 CA GLU A 47 -11.216 4.122 9.650 1.00 0.47 C ATOM 715 C GLU A 47 -12.176 4.379 8.482 1.00 0.55 C ATOM 716 O GLU A 47 -13.245 3.804 8.418 1.00 0.70 O ATOM 717 CB GLU A 47 -11.303 5.286 10.639 1.00 0.56 C ATOM 718 CG GLU A 47 -10.653 4.875 11.963 1.00 0.69 C ATOM 719 CD GLU A 47 -11.747 4.580 12.992 1.00 1.52 C ATOM 720 OE1 GLU A 47 -12.234 5.546 13.556 1.00 2.14 O ATOM 721 OE2 GLU A 47 -12.034 3.406 13.155 1.00 2.33 O ATOM 0 H GLU A 47 -9.327 4.890 9.000 1.00 0.27 H new ATOM 0 HA GLU A 47 -11.498 3.190 10.139 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -10.801 6.163 10.231 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -12.345 5.562 10.802 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -10.028 3.994 11.817 1.00 0.69 H new ATOM 0 HG3 GLU A 47 -10.002 5.671 12.325 1.00 0.69 H new ATOM 728 N LYS A 48 -11.775 5.240 7.584 1.00 0.50 N ATOM 729 CA LYS A 48 -12.655 5.546 6.417 1.00 0.68 C ATOM 730 C LYS A 48 -13.246 4.257 5.840 1.00 0.49 C ATOM 731 O LYS A 48 -14.434 4.019 5.934 1.00 0.60 O ATOM 732 CB LYS A 48 -11.835 6.254 5.346 1.00 0.87 C ATOM 733 CG LYS A 48 -12.783 7.041 4.443 1.00 1.33 C ATOM 734 CD LYS A 48 -12.850 8.492 4.923 1.00 1.26 C ATOM 735 CE LYS A 48 -13.876 9.253 4.080 1.00 1.45 C ATOM 736 NZ LYS A 48 -15.043 9.654 4.916 1.00 0.74 N ATOM 0 H LYS A 48 -10.886 5.740 7.606 1.00 0.50 H new ATOM 0 HA LYS A 48 -13.472 6.188 6.746 1.00 0.68 H new ATOM 0 HB2 LYS A 48 -11.109 6.924 5.807 1.00 0.87 H new ATOM 0 HB3 LYS A 48 -11.271 5.528 4.760 1.00 0.87 H new ATOM 0 HG2 LYS A 48 -12.436 7.003 3.411 1.00 1.33 H new ATOM 0 HG3 LYS A 48 -13.777 6.593 4.462 1.00 1.33 H new ATOM 0 HD2 LYS A 48 -13.129 8.527 5.976 1.00 1.26 H new ATOM 0 HD3 LYS A 48 -11.870 8.962 4.837 1.00 1.26 H new ATOM 0 HE2 LYS A 48 -13.413 10.138 3.643 1.00 1.45 H new ATOM 0 HE3 LYS A 48 -14.211 8.628 3.253 1.00 1.45 H new ATOM 0 HZ1 LYS A 48 -15.730 10.169 4.329 1.00 0.74 H new ATOM 0 HZ2 LYS A 48 -15.494 8.805 5.312 1.00 0.74 H new ATOM 0 HZ3 LYS A 48 -14.720 10.268 5.691 1.00 0.74 H new ATOM 750 N TYR A 49 -12.403 3.451 5.253 1.00 0.36 N ATOM 751 CA TYR A 49 -12.897 2.171 4.665 1.00 0.32 C ATOM 752 C TYR A 49 -12.652 1.018 5.641 1.00 0.29 C ATOM 753 O TYR A 49 -11.528 0.604 5.846 1.00 0.27 O ATOM 754 CB TYR A 49 -12.148 1.898 3.365 1.00 0.54 C ATOM 755 CG TYR A 49 -12.679 2.817 2.263 1.00 0.48 C ATOM 756 CD1 TYR A 49 -13.850 2.511 1.601 1.00 0.41 C ATOM 757 CD2 TYR A 49 -11.995 3.965 1.918 1.00 0.60 C ATOM 758 CE1 TYR A 49 -14.328 3.339 0.606 1.00 0.33 C ATOM 759 CE2 TYR A 49 -12.475 4.793 0.923 1.00 0.61 C ATOM 760 CZ TYR A 49 -13.644 4.487 0.259 1.00 0.42 C ATOM 761 OH TYR A 49 -14.123 5.312 -0.737 1.00 0.44 O ATOM 0 H TYR A 49 -11.402 3.620 5.155 1.00 0.36 H new ATOM 0 HA TYR A 49 -13.966 2.253 4.470 1.00 0.32 H new ATOM 0 HB2 TYR A 49 -11.080 2.064 3.507 1.00 0.54 H new ATOM 0 HB3 TYR A 49 -12.273 0.855 3.074 1.00 0.54 H new ATOM 0 HD1 TYR A 49 -14.396 1.617 1.863 1.00 0.41 H new ATOM 0 HD2 TYR A 49 -11.078 4.217 2.430 1.00 0.60 H new ATOM 0 HE1 TYR A 49 -15.245 3.087 0.094 1.00 0.33 H new ATOM 0 HE2 TYR A 49 -11.930 5.688 0.662 1.00 0.61 H new ATOM 0 HH TYR A 49 -13.518 6.074 -0.850 1.00 0.44 H new ATOM 771 N SER A 50 -13.707 0.526 6.223 1.00 0.37 N ATOM 772 CA SER A 50 -13.550 -0.601 7.187 1.00 0.40 C ATOM 773 C SER A 50 -13.699 -1.941 6.461 1.00 0.36 C ATOM 774 O SER A 50 -13.533 -2.989 7.053 1.00 0.49 O ATOM 775 CB SER A 50 -14.621 -0.484 8.270 1.00 0.49 C ATOM 776 OG SER A 50 -15.833 -0.347 7.545 1.00 0.58 O ATOM 0 H SER A 50 -14.663 0.850 6.077 1.00 0.37 H new ATOM 0 HA SER A 50 -12.559 -0.554 7.638 1.00 0.40 H new ATOM 0 HB2 SER A 50 -14.637 -1.365 8.911 1.00 0.49 H new ATOM 0 HB3 SER A 50 -14.443 0.376 8.915 1.00 0.49 H new ATOM 0 HG SER A 50 -16.582 -0.267 8.172 1.00 0.58 H new ATOM 782 N ASN A 51 -14.008 -1.873 5.192 1.00 0.25 N ATOM 783 CA ASN A 51 -14.175 -3.130 4.401 1.00 0.28 C ATOM 784 C ASN A 51 -12.956 -3.358 3.500 1.00 0.28 C ATOM 785 O ASN A 51 -12.886 -4.341 2.790 1.00 0.46 O ATOM 786 CB ASN A 51 -15.428 -3.009 3.537 1.00 0.38 C ATOM 787 CG ASN A 51 -15.831 -4.397 3.028 1.00 0.49 C ATOM 788 OD1 ASN A 51 -15.774 -4.677 1.847 1.00 0.80 O ATOM 789 ND2 ASN A 51 -16.244 -5.291 3.885 1.00 1.63 N ATOM 0 H ASN A 51 -14.151 -1.008 4.671 1.00 0.25 H new ATOM 0 HA ASN A 51 -14.269 -3.974 5.084 1.00 0.28 H new ATOM 0 HB2 ASN A 51 -16.241 -2.571 4.116 1.00 0.38 H new ATOM 0 HB3 ASN A 51 -15.240 -2.341 2.696 1.00 0.38 H new ATOM 0 HD21 ASN A 51 -16.517 -6.219 3.562 1.00 1.63 H new ATOM 0 HD22 ASN A 51 -16.294 -5.061 4.878 1.00 1.63 H new ATOM 796 N VAL A 52 -12.021 -2.439 3.553 1.00 0.16 N ATOM 797 CA VAL A 52 -10.790 -2.577 2.705 1.00 0.13 C ATOM 798 C VAL A 52 -9.554 -2.728 3.592 1.00 0.14 C ATOM 799 O VAL A 52 -9.495 -2.178 4.675 1.00 0.15 O ATOM 800 CB VAL A 52 -10.635 -1.324 1.840 1.00 0.13 C ATOM 801 CG1 VAL A 52 -9.442 -1.495 0.890 1.00 0.10 C ATOM 802 CG2 VAL A 52 -11.905 -1.123 1.018 1.00 0.15 C ATOM 0 H VAL A 52 -12.054 -1.606 4.141 1.00 0.16 H new ATOM 0 HA VAL A 52 -10.888 -3.460 2.074 1.00 0.13 H new ATOM 0 HB VAL A 52 -10.466 -0.459 2.482 1.00 0.13 H new ATOM 0 HG11 VAL A 52 -9.335 -0.601 0.276 1.00 0.10 H new ATOM 0 HG12 VAL A 52 -8.533 -1.647 1.472 1.00 0.10 H new ATOM 0 HG13 VAL A 52 -9.610 -2.359 0.247 1.00 0.10 H new ATOM 0 HG21 VAL A 52 -11.801 -0.232 0.399 1.00 0.15 H new ATOM 0 HG22 VAL A 52 -12.066 -1.991 0.379 1.00 0.15 H new ATOM 0 HG23 VAL A 52 -12.757 -1.002 1.688 1.00 0.15 H new ATOM 812 N ILE A 53 -8.591 -3.469 3.110 1.00 0.16 N ATOM 813 CA ILE A 53 -7.344 -3.666 3.903 1.00 0.17 C ATOM 814 C ILE A 53 -6.227 -2.778 3.335 1.00 0.14 C ATOM 815 O ILE A 53 -6.132 -2.591 2.133 1.00 0.18 O ATOM 816 CB ILE A 53 -6.928 -5.138 3.841 1.00 0.25 C ATOM 817 CG1 ILE A 53 -8.055 -6.018 4.418 1.00 0.29 C ATOM 818 CG2 ILE A 53 -5.677 -5.329 4.687 1.00 0.34 C ATOM 819 CD1 ILE A 53 -9.271 -6.015 3.477 1.00 1.19 C ATOM 0 H ILE A 53 -8.614 -3.943 2.207 1.00 0.16 H new ATOM 0 HA ILE A 53 -7.523 -3.389 4.942 1.00 0.17 H new ATOM 0 HB ILE A 53 -6.735 -5.421 2.806 1.00 0.25 H new ATOM 0 HG12 ILE A 53 -7.695 -7.038 4.555 1.00 0.29 H new ATOM 0 HG13 ILE A 53 -8.347 -5.648 5.401 1.00 0.29 H new ATOM 0 HG21 ILE A 53 -5.370 -6.374 4.651 1.00 0.34 H new ATOM 0 HG22 ILE A 53 -4.875 -4.702 4.298 1.00 0.34 H new ATOM 0 HG23 ILE A 53 -5.889 -5.048 5.719 1.00 0.34 H new ATOM 0 HD11 ILE A 53 -10.058 -6.641 3.898 1.00 1.19 H new ATOM 0 HD12 ILE A 53 -9.640 -4.996 3.362 1.00 1.19 H new ATOM 0 HD13 ILE A 53 -8.978 -6.407 2.503 1.00 1.19 H new ATOM 831 N PHE A 54 -5.403 -2.255 4.213 1.00 0.10 N ATOM 832 CA PHE A 54 -4.301 -1.349 3.753 1.00 0.12 C ATOM 833 C PHE A 54 -2.946 -1.789 4.326 1.00 0.10 C ATOM 834 O PHE A 54 -2.828 -2.065 5.501 1.00 0.04 O ATOM 835 CB PHE A 54 -4.616 0.066 4.235 1.00 0.13 C ATOM 836 CG PHE A 54 -5.943 0.516 3.624 1.00 0.15 C ATOM 837 CD1 PHE A 54 -5.978 1.104 2.374 1.00 0.24 C ATOM 838 CD2 PHE A 54 -7.127 0.337 4.318 1.00 0.09 C ATOM 839 CE1 PHE A 54 -7.176 1.507 1.826 1.00 0.26 C ATOM 840 CE2 PHE A 54 -8.326 0.741 3.765 1.00 0.11 C ATOM 841 CZ PHE A 54 -8.348 1.326 2.522 1.00 0.20 C ATOM 0 H PHE A 54 -5.445 -2.414 5.220 1.00 0.10 H new ATOM 0 HA PHE A 54 -4.237 -1.388 2.666 1.00 0.12 H new ATOM 0 HB2 PHE A 54 -4.676 0.089 5.323 1.00 0.13 H new ATOM 0 HB3 PHE A 54 -3.817 0.749 3.945 1.00 0.13 H new ATOM 0 HD1 PHE A 54 -5.060 1.249 1.823 1.00 0.24 H new ATOM 0 HD2 PHE A 54 -7.113 -0.121 5.296 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -7.195 1.966 0.848 1.00 0.26 H new ATOM 0 HE2 PHE A 54 -9.247 0.597 4.310 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.286 1.644 2.091 1.00 0.20 H new ATOM 851 N LEU A 55 -1.951 -1.856 3.468 1.00 0.20 N ATOM 852 CA LEU A 55 -0.586 -2.259 3.937 1.00 0.20 C ATOM 853 C LEU A 55 0.345 -1.044 3.927 1.00 0.18 C ATOM 854 O LEU A 55 0.005 0.011 3.423 1.00 0.36 O ATOM 855 CB LEU A 55 0.010 -3.310 2.998 1.00 0.23 C ATOM 856 CG LEU A 55 -0.644 -4.677 3.220 1.00 0.52 C ATOM 857 CD1 LEU A 55 -2.139 -4.582 2.961 1.00 0.90 C ATOM 858 CD2 LEU A 55 -0.041 -5.681 2.233 1.00 0.59 C ATOM 0 H LEU A 55 -2.026 -1.651 2.472 1.00 0.20 H new ATOM 0 HA LEU A 55 -0.680 -2.665 4.944 1.00 0.20 H new ATOM 0 HB2 LEU A 55 -0.130 -2.999 1.963 1.00 0.23 H new ATOM 0 HB3 LEU A 55 1.084 -3.385 3.165 1.00 0.23 H new ATOM 0 HG LEU A 55 -0.470 -4.998 4.247 1.00 0.52 H new ATOM 0 HD11 LEU A 55 -2.599 -5.557 3.120 1.00 0.90 H new ATOM 0 HD12 LEU A 55 -2.581 -3.856 3.644 1.00 0.90 H new ATOM 0 HD13 LEU A 55 -2.311 -4.264 1.933 1.00 0.90 H new ATOM 0 HD21 LEU A 55 -0.500 -6.658 2.382 1.00 0.59 H new ATOM 0 HD22 LEU A 55 -0.227 -5.345 1.213 1.00 0.59 H new ATOM 0 HD23 LEU A 55 1.034 -5.755 2.400 1.00 0.59 H new ATOM 870 N GLU A 56 1.511 -1.239 4.456 1.00 0.24 N ATOM 871 CA GLU A 56 2.507 -0.130 4.503 1.00 0.25 C ATOM 872 C GLU A 56 3.918 -0.718 4.405 1.00 0.19 C ATOM 873 O GLU A 56 4.365 -1.399 5.308 1.00 0.29 O ATOM 874 CB GLU A 56 2.358 0.618 5.822 1.00 0.43 C ATOM 875 CG GLU A 56 2.224 2.113 5.537 1.00 0.95 C ATOM 876 CD GLU A 56 3.484 2.609 4.823 1.00 1.43 C ATOM 877 OE1 GLU A 56 4.540 2.115 5.181 1.00 1.82 O ATOM 878 OE2 GLU A 56 3.318 3.455 3.960 1.00 2.72 O ATOM 0 H GLU A 56 1.825 -2.121 4.862 1.00 0.24 H new ATOM 0 HA GLU A 56 2.339 0.556 3.673 1.00 0.25 H new ATOM 0 HB2 GLU A 56 1.482 0.258 6.361 1.00 0.43 H new ATOM 0 HB3 GLU A 56 3.223 0.433 6.459 1.00 0.43 H new ATOM 0 HG2 GLU A 56 1.345 2.299 4.919 1.00 0.95 H new ATOM 0 HG3 GLU A 56 2.081 2.661 6.468 1.00 0.95 H new ATOM 885 N VAL A 57 4.590 -0.440 3.316 1.00 0.14 N ATOM 886 CA VAL A 57 5.972 -0.998 3.138 1.00 0.12 C ATOM 887 C VAL A 57 7.029 0.103 3.257 1.00 0.14 C ATOM 888 O VAL A 57 6.828 1.217 2.811 1.00 0.25 O ATOM 889 CB VAL A 57 6.074 -1.641 1.756 1.00 0.12 C ATOM 890 CG1 VAL A 57 7.530 -2.040 1.497 1.00 0.20 C ATOM 891 CG2 VAL A 57 5.191 -2.888 1.712 1.00 0.15 C ATOM 0 H VAL A 57 4.250 0.141 2.550 1.00 0.14 H new ATOM 0 HA VAL A 57 6.152 -1.737 3.919 1.00 0.12 H new ATOM 0 HB VAL A 57 5.744 -0.935 0.994 1.00 0.12 H new ATOM 0 HG11 VAL A 57 7.612 -2.500 0.512 1.00 0.20 H new ATOM 0 HG12 VAL A 57 8.163 -1.153 1.537 1.00 0.20 H new ATOM 0 HG13 VAL A 57 7.853 -2.751 2.257 1.00 0.20 H new ATOM 0 HG21 VAL A 57 5.262 -3.349 0.727 1.00 0.15 H new ATOM 0 HG22 VAL A 57 5.525 -3.597 2.469 1.00 0.15 H new ATOM 0 HG23 VAL A 57 4.156 -2.608 1.908 1.00 0.15 H new ATOM 901 N ASP A 58 8.138 -0.243 3.861 1.00 0.10 N ATOM 902 CA ASP A 58 9.243 0.748 4.020 1.00 0.13 C ATOM 903 C ASP A 58 10.374 0.421 3.038 1.00 0.16 C ATOM 904 O ASP A 58 10.970 -0.636 3.108 1.00 0.16 O ATOM 905 CB ASP A 58 9.771 0.673 5.452 1.00 0.16 C ATOM 906 CG ASP A 58 10.628 1.907 5.748 1.00 0.25 C ATOM 907 OD1 ASP A 58 10.243 2.964 5.274 1.00 1.28 O ATOM 908 OD2 ASP A 58 11.620 1.724 6.436 1.00 0.78 O ATOM 0 H ASP A 58 8.325 -1.167 4.250 1.00 0.10 H new ATOM 0 HA ASP A 58 8.871 1.752 3.814 1.00 0.13 H new ATOM 0 HB2 ASP A 58 8.939 0.618 6.155 1.00 0.16 H new ATOM 0 HB3 ASP A 58 10.362 -0.233 5.586 1.00 0.16 H new ATOM 913 N VAL A 59 10.646 1.331 2.144 1.00 0.19 N ATOM 914 CA VAL A 59 11.730 1.075 1.147 1.00 0.21 C ATOM 915 C VAL A 59 13.108 1.204 1.807 1.00 0.20 C ATOM 916 O VAL A 59 14.047 1.677 1.197 1.00 0.44 O ATOM 917 CB VAL A 59 11.612 2.084 0.007 1.00 0.21 C ATOM 918 CG1 VAL A 59 10.347 1.786 -0.800 1.00 0.18 C ATOM 919 CG2 VAL A 59 11.518 3.495 0.588 1.00 0.22 C ATOM 0 H VAL A 59 10.173 2.231 2.058 1.00 0.19 H new ATOM 0 HA VAL A 59 11.624 0.062 0.759 1.00 0.21 H new ATOM 0 HB VAL A 59 12.487 2.011 -0.639 1.00 0.21 H new ATOM 0 HG11 VAL A 59 10.258 2.504 -1.615 1.00 0.18 H new ATOM 0 HG12 VAL A 59 10.406 0.777 -1.209 1.00 0.18 H new ATOM 0 HG13 VAL A 59 9.475 1.864 -0.151 1.00 0.18 H new ATOM 0 HG21 VAL A 59 11.434 4.218 -0.224 1.00 0.22 H new ATOM 0 HG22 VAL A 59 10.640 3.566 1.230 1.00 0.22 H new ATOM 0 HG23 VAL A 59 12.413 3.708 1.172 1.00 0.22 H new ATOM 929 N ASP A 60 13.195 0.782 3.039 1.00 0.13 N ATOM 930 CA ASP A 60 14.500 0.863 3.760 1.00 0.15 C ATOM 931 C ASP A 60 14.733 -0.421 4.559 1.00 0.18 C ATOM 932 O ASP A 60 15.802 -0.997 4.516 1.00 0.36 O ATOM 933 CB ASP A 60 14.477 2.058 4.712 1.00 0.31 C ATOM 934 CG ASP A 60 15.880 2.282 5.275 1.00 0.34 C ATOM 935 OD1 ASP A 60 16.786 2.350 4.460 1.00 1.32 O ATOM 936 OD2 ASP A 60 15.969 2.373 6.488 1.00 0.65 O ATOM 0 H ASP A 60 12.424 0.386 3.576 1.00 0.13 H new ATOM 0 HA ASP A 60 15.306 0.985 3.036 1.00 0.15 H new ATOM 0 HB2 ASP A 60 14.137 2.950 4.186 1.00 0.31 H new ATOM 0 HB3 ASP A 60 13.772 1.878 5.523 1.00 0.31 H new ATOM 941 N ASP A 61 13.718 -0.843 5.267 1.00 0.29 N ATOM 942 CA ASP A 61 13.850 -2.092 6.076 1.00 0.56 C ATOM 943 C ASP A 61 13.170 -3.259 5.354 1.00 0.63 C ATOM 944 O ASP A 61 13.063 -4.347 5.886 1.00 1.15 O ATOM 945 CB ASP A 61 13.188 -1.877 7.435 1.00 0.73 C ATOM 946 CG ASP A 61 13.230 -3.183 8.230 1.00 0.94 C ATOM 947 OD1 ASP A 61 14.337 -3.597 8.532 1.00 1.20 O ATOM 948 OD2 ASP A 61 12.152 -3.693 8.489 1.00 2.09 O ATOM 0 H ASP A 61 12.810 -0.381 5.321 1.00 0.29 H new ATOM 0 HA ASP A 61 14.906 -2.327 6.210 1.00 0.56 H new ATOM 0 HB2 ASP A 61 13.703 -1.088 7.983 1.00 0.73 H new ATOM 0 HB3 ASP A 61 12.156 -1.552 7.302 1.00 0.73 H new ATOM 953 N CYS A 62 12.724 -3.008 4.155 1.00 0.18 N ATOM 954 CA CYS A 62 12.046 -4.091 3.384 1.00 0.23 C ATOM 955 C CYS A 62 12.282 -3.895 1.885 1.00 0.22 C ATOM 956 O CYS A 62 11.449 -4.240 1.072 1.00 0.31 O ATOM 957 CB CYS A 62 10.547 -4.047 3.674 1.00 0.32 C ATOM 958 SG CYS A 62 10.037 -3.536 5.335 1.00 0.39 S ATOM 0 H CYS A 62 12.798 -2.110 3.678 1.00 0.18 H new ATOM 0 HA CYS A 62 12.454 -5.057 3.683 1.00 0.23 H new ATOM 0 HB2 CYS A 62 10.084 -3.370 2.956 1.00 0.32 H new ATOM 0 HB3 CYS A 62 10.138 -5.040 3.486 1.00 0.32 H new ATOM 0 HG CYS A 62 8.739 -3.550 5.414 1.00 0.39 H new ATOM 964 N GLN A 63 13.415 -3.341 1.550 1.00 0.27 N ATOM 965 CA GLN A 63 13.723 -3.116 0.113 1.00 0.31 C ATOM 966 C GLN A 63 13.571 -4.421 -0.670 1.00 0.26 C ATOM 967 O GLN A 63 13.494 -4.418 -1.882 1.00 0.30 O ATOM 968 CB GLN A 63 15.156 -2.603 -0.020 1.00 0.41 C ATOM 969 CG GLN A 63 16.079 -3.453 0.857 1.00 1.18 C ATOM 970 CD GLN A 63 17.359 -3.774 0.082 1.00 1.67 C ATOM 971 OE1 GLN A 63 18.123 -2.896 -0.266 1.00 1.15 O ATOM 972 NE2 GLN A 63 17.628 -5.017 -0.209 1.00 3.09 N ATOM 0 H GLN A 63 14.135 -3.037 2.205 1.00 0.27 H new ATOM 0 HA GLN A 63 13.028 -2.380 -0.291 1.00 0.31 H new ATOM 0 HB2 GLN A 63 15.477 -2.652 -1.060 1.00 0.41 H new ATOM 0 HB3 GLN A 63 15.210 -1.557 0.282 1.00 0.41 H new ATOM 0 HG2 GLN A 63 16.321 -2.918 1.775 1.00 1.18 H new ATOM 0 HG3 GLN A 63 15.576 -4.375 1.148 1.00 1.18 H new ATOM 0 HE21 GLN A 63 16.990 -5.758 0.081 1.00 3.09 H new ATOM 0 HE22 GLN A 63 18.476 -5.248 -0.726 1.00 3.09 H new ATOM 981 N ASP A 64 13.530 -5.509 0.044 1.00 0.24 N ATOM 982 CA ASP A 64 13.383 -6.824 -0.635 1.00 0.28 C ATOM 983 C ASP A 64 12.011 -6.914 -1.297 1.00 0.28 C ATOM 984 O ASP A 64 11.837 -7.575 -2.302 1.00 0.54 O ATOM 985 CB ASP A 64 13.533 -7.940 0.396 1.00 0.37 C ATOM 986 CG ASP A 64 12.871 -7.510 1.707 1.00 0.50 C ATOM 987 OD1 ASP A 64 13.555 -6.843 2.465 1.00 1.25 O ATOM 988 OD2 ASP A 64 11.719 -7.875 1.876 1.00 0.47 O ATOM 0 H ASP A 64 13.591 -5.545 1.062 1.00 0.24 H new ATOM 0 HA ASP A 64 14.152 -6.927 -1.400 1.00 0.28 H new ATOM 0 HB2 ASP A 64 13.073 -8.856 0.026 1.00 0.37 H new ATOM 0 HB3 ASP A 64 14.588 -8.158 0.562 1.00 0.37 H new ATOM 993 N VAL A 65 11.068 -6.244 -0.711 1.00 0.26 N ATOM 994 CA VAL A 65 9.696 -6.253 -1.269 1.00 0.21 C ATOM 995 C VAL A 65 9.553 -5.165 -2.327 1.00 0.17 C ATOM 996 O VAL A 65 8.978 -5.380 -3.376 1.00 0.13 O ATOM 997 CB VAL A 65 8.709 -6.009 -0.146 1.00 0.18 C ATOM 998 CG1 VAL A 65 7.288 -6.264 -0.654 1.00 0.17 C ATOM 999 CG2 VAL A 65 9.016 -6.966 1.007 1.00 0.13 C ATOM 0 H VAL A 65 11.189 -5.687 0.135 1.00 0.26 H new ATOM 0 HA VAL A 65 9.498 -7.219 -1.734 1.00 0.21 H new ATOM 0 HB VAL A 65 8.791 -4.978 0.199 1.00 0.18 H new ATOM 0 HG11 VAL A 65 6.576 -6.089 0.153 1.00 0.17 H new ATOM 0 HG12 VAL A 65 7.071 -5.589 -1.482 1.00 0.17 H new ATOM 0 HG13 VAL A 65 7.203 -7.296 -0.995 1.00 0.17 H new ATOM 0 HG21 VAL A 65 8.309 -6.796 1.819 1.00 0.13 H new ATOM 0 HG22 VAL A 65 8.928 -7.995 0.659 1.00 0.13 H new ATOM 0 HG23 VAL A 65 10.030 -6.790 1.366 1.00 0.13 H new ATOM 1009 N ALA A 66 10.078 -4.017 -2.024 1.00 0.24 N ATOM 1010 CA ALA A 66 9.996 -2.900 -2.997 1.00 0.24 C ATOM 1011 C ALA A 66 10.696 -3.299 -4.288 1.00 0.25 C ATOM 1012 O ALA A 66 10.153 -3.167 -5.367 1.00 0.19 O ATOM 1013 CB ALA A 66 10.671 -1.664 -2.404 1.00 0.33 C ATOM 0 H ALA A 66 10.558 -3.804 -1.150 1.00 0.24 H new ATOM 0 HA ALA A 66 8.951 -2.675 -3.211 1.00 0.24 H new ATOM 0 HB1 ALA A 66 10.613 -0.841 -3.116 1.00 0.33 H new ATOM 0 HB2 ALA A 66 10.166 -1.381 -1.480 1.00 0.33 H new ATOM 0 HB3 ALA A 66 11.717 -1.887 -2.192 1.00 0.33 H new ATOM 1019 N SER A 67 11.888 -3.783 -4.144 1.00 0.37 N ATOM 1020 CA SER A 67 12.651 -4.216 -5.341 1.00 0.40 C ATOM 1021 C SER A 67 11.884 -5.325 -6.058 1.00 0.36 C ATOM 1022 O SER A 67 12.202 -5.691 -7.172 1.00 0.37 O ATOM 1023 CB SER A 67 14.021 -4.736 -4.906 1.00 0.48 C ATOM 1024 OG SER A 67 14.741 -4.876 -6.122 1.00 0.55 O ATOM 0 H SER A 67 12.369 -3.899 -3.252 1.00 0.37 H new ATOM 0 HA SER A 67 12.782 -3.372 -6.018 1.00 0.40 H new ATOM 0 HB2 SER A 67 14.515 -4.040 -4.228 1.00 0.48 H new ATOM 0 HB3 SER A 67 13.938 -5.687 -4.380 1.00 0.48 H new ATOM 0 HG SER A 67 14.138 -5.199 -6.824 1.00 0.55 H new ATOM 1030 N GLU A 68 10.886 -5.835 -5.393 1.00 0.34 N ATOM 1031 CA GLU A 68 10.073 -6.916 -5.999 1.00 0.32 C ATOM 1032 C GLU A 68 9.079 -6.313 -6.983 1.00 0.25 C ATOM 1033 O GLU A 68 8.750 -6.907 -7.991 1.00 0.25 O ATOM 1034 CB GLU A 68 9.319 -7.656 -4.895 1.00 0.32 C ATOM 1035 CG GLU A 68 9.132 -9.116 -5.305 1.00 0.51 C ATOM 1036 CD GLU A 68 8.245 -9.821 -4.277 1.00 1.35 C ATOM 1037 OE1 GLU A 68 7.048 -9.599 -4.352 1.00 1.89 O ATOM 1038 OE2 GLU A 68 8.814 -10.544 -3.475 1.00 2.20 O ATOM 0 H GLU A 68 10.601 -5.548 -4.457 1.00 0.34 H new ATOM 0 HA GLU A 68 10.723 -7.613 -6.527 1.00 0.32 H new ATOM 0 HB2 GLU A 68 9.873 -7.597 -3.958 1.00 0.32 H new ATOM 0 HB3 GLU A 68 8.350 -7.187 -4.723 1.00 0.32 H new ATOM 0 HG2 GLU A 68 8.677 -9.172 -6.294 1.00 0.51 H new ATOM 0 HG3 GLU A 68 10.099 -9.614 -5.370 1.00 0.51 H new ATOM 1045 N CYS A 69 8.626 -5.142 -6.662 1.00 0.21 N ATOM 1046 CA CYS A 69 7.656 -4.456 -7.559 1.00 0.14 C ATOM 1047 C CYS A 69 8.415 -3.572 -8.552 1.00 0.15 C ATOM 1048 O CYS A 69 7.826 -2.934 -9.400 1.00 0.10 O ATOM 1049 CB CYS A 69 6.720 -3.600 -6.711 1.00 0.08 C ATOM 1050 SG CYS A 69 5.493 -4.470 -5.706 1.00 0.10 S ATOM 0 H CYS A 69 8.882 -4.627 -5.820 1.00 0.21 H new ATOM 0 HA CYS A 69 7.075 -5.193 -8.113 1.00 0.14 H new ATOM 0 HB2 CYS A 69 7.330 -2.989 -6.046 1.00 0.08 H new ATOM 0 HB3 CYS A 69 6.191 -2.917 -7.376 1.00 0.08 H new ATOM 0 HG CYS A 69 4.380 -3.799 -5.704 1.00 0.10 H new ATOM 1056 N GLU A 70 9.713 -3.559 -8.414 1.00 0.23 N ATOM 1057 CA GLU A 70 10.553 -2.741 -9.338 1.00 0.25 C ATOM 1058 C GLU A 70 10.158 -1.263 -9.277 1.00 0.24 C ATOM 1059 O GLU A 70 9.987 -0.625 -10.297 1.00 0.22 O ATOM 1060 CB GLU A 70 10.377 -3.260 -10.764 1.00 0.24 C ATOM 1061 CG GLU A 70 10.499 -4.785 -10.761 1.00 1.17 C ATOM 1062 CD GLU A 70 10.746 -5.276 -12.189 1.00 1.16 C ATOM 1063 OE1 GLU A 70 9.812 -5.171 -12.966 1.00 1.63 O ATOM 1064 OE2 GLU A 70 11.855 -5.729 -12.420 1.00 1.36 O ATOM 0 H GLU A 70 10.228 -4.078 -7.703 1.00 0.23 H new ATOM 0 HA GLU A 70 11.596 -2.827 -9.032 1.00 0.25 H new ATOM 0 HB2 GLU A 70 9.404 -2.961 -11.155 1.00 0.24 H new ATOM 0 HB3 GLU A 70 11.132 -2.824 -11.419 1.00 0.24 H new ATOM 0 HG2 GLU A 70 11.318 -5.094 -10.111 1.00 1.17 H new ATOM 0 HG3 GLU A 70 9.589 -5.233 -10.362 1.00 1.17 H new ATOM 1071 N VAL A 71 10.019 -0.746 -8.086 1.00 0.25 N ATOM 1072 CA VAL A 71 9.652 0.697 -7.963 1.00 0.25 C ATOM 1073 C VAL A 71 10.882 1.569 -8.226 1.00 0.30 C ATOM 1074 O VAL A 71 12.003 1.132 -8.061 1.00 0.35 O ATOM 1075 CB VAL A 71 9.131 0.974 -6.554 1.00 0.27 C ATOM 1076 CG1 VAL A 71 7.991 1.990 -6.631 1.00 0.27 C ATOM 1077 CG2 VAL A 71 8.606 -0.325 -5.945 1.00 0.30 C ATOM 0 H VAL A 71 10.141 -1.248 -7.207 1.00 0.25 H new ATOM 0 HA VAL A 71 8.878 0.932 -8.693 1.00 0.25 H new ATOM 0 HB VAL A 71 9.937 1.369 -5.936 1.00 0.27 H new ATOM 0 HG11 VAL A 71 7.615 2.192 -5.628 1.00 0.27 H new ATOM 0 HG12 VAL A 71 8.358 2.916 -7.074 1.00 0.27 H new ATOM 0 HG13 VAL A 71 7.186 1.588 -7.246 1.00 0.27 H new ATOM 0 HG21 VAL A 71 8.233 -0.131 -4.939 1.00 0.30 H new ATOM 0 HG22 VAL A 71 7.797 -0.716 -6.563 1.00 0.30 H new ATOM 0 HG23 VAL A 71 9.412 -1.057 -5.898 1.00 0.30 H new ATOM 1087 N LYS A 72 10.648 2.786 -8.634 1.00 0.33 N ATOM 1088 CA LYS A 72 11.795 3.700 -8.908 1.00 0.42 C ATOM 1089 C LYS A 72 11.431 5.130 -8.506 1.00 0.49 C ATOM 1090 O LYS A 72 11.988 6.082 -9.014 1.00 0.70 O ATOM 1091 CB LYS A 72 12.130 3.659 -10.400 1.00 0.43 C ATOM 1092 CG LYS A 72 12.965 2.411 -10.700 1.00 1.06 C ATOM 1093 CD LYS A 72 13.382 2.427 -12.172 1.00 1.39 C ATOM 1094 CE LYS A 72 14.816 2.951 -12.278 1.00 0.92 C ATOM 1095 NZ LYS A 72 15.121 3.360 -13.678 1.00 1.85 N ATOM 0 H LYS A 72 9.722 3.185 -8.789 1.00 0.33 H new ATOM 0 HA LYS A 72 12.659 3.376 -8.328 1.00 0.42 H new ATOM 0 HB2 LYS A 72 11.213 3.647 -10.990 1.00 0.43 H new ATOM 0 HB3 LYS A 72 12.681 4.556 -10.685 1.00 0.43 H new ATOM 0 HG2 LYS A 72 13.847 2.386 -10.060 1.00 1.06 H new ATOM 0 HG3 LYS A 72 12.388 1.512 -10.483 1.00 1.06 H new ATOM 0 HD2 LYS A 72 13.316 1.424 -12.593 1.00 1.39 H new ATOM 0 HD3 LYS A 72 12.706 3.060 -12.748 1.00 1.39 H new ATOM 0 HE2 LYS A 72 14.949 3.800 -11.608 1.00 0.92 H new ATOM 0 HE3 LYS A 72 15.516 2.179 -11.958 1.00 0.92 H new ATOM 0 HZ1 LYS A 72 16.098 3.713 -13.732 1.00 1.85 H new ATOM 0 HZ2 LYS A 72 15.014 2.541 -14.310 1.00 1.85 H new ATOM 0 HZ3 LYS A 72 14.465 4.112 -13.971 1.00 1.85 H new ATOM 1109 N CYS A 73 10.503 5.250 -7.599 1.00 0.36 N ATOM 1110 CA CYS A 73 10.092 6.611 -7.152 1.00 0.41 C ATOM 1111 C CYS A 73 8.998 6.510 -6.089 1.00 0.37 C ATOM 1112 O CYS A 73 7.954 5.933 -6.321 1.00 0.47 O ATOM 1113 CB CYS A 73 9.567 7.396 -8.355 1.00 0.43 C ATOM 1114 SG CYS A 73 8.606 6.485 -9.588 1.00 0.33 S ATOM 0 H CYS A 73 10.015 4.474 -7.151 1.00 0.36 H new ATOM 0 HA CYS A 73 10.953 7.123 -6.722 1.00 0.41 H new ATOM 0 HB2 CYS A 73 8.948 8.212 -7.981 1.00 0.43 H new ATOM 0 HB3 CYS A 73 10.420 7.849 -8.860 1.00 0.43 H new ATOM 0 HG CYS A 73 8.237 7.295 -10.536 1.00 0.33 H new ATOM 1120 N THR A 74 9.268 7.079 -4.945 1.00 0.22 N ATOM 1121 CA THR A 74 8.269 7.033 -3.839 1.00 0.17 C ATOM 1122 C THR A 74 7.587 8.417 -3.693 1.00 0.16 C ATOM 1123 O THR A 74 8.174 9.424 -4.036 1.00 0.19 O ATOM 1124 CB THR A 74 9.013 6.684 -2.545 1.00 0.18 C ATOM 1125 OG1 THR A 74 10.166 7.521 -2.556 1.00 0.25 O ATOM 1126 CG2 THR A 74 9.554 5.259 -2.583 1.00 0.27 C ATOM 0 H THR A 74 10.134 7.572 -4.729 1.00 0.22 H new ATOM 0 HA THR A 74 7.503 6.287 -4.050 1.00 0.17 H new ATOM 0 HB THR A 74 8.350 6.801 -1.688 1.00 0.18 H new ATOM 0 HG1 THR A 74 10.698 7.355 -1.750 1.00 0.25 H new ATOM 0 HG21 THR A 74 10.076 5.043 -1.651 1.00 0.27 H new ATOM 0 HG22 THR A 74 8.727 4.559 -2.707 1.00 0.27 H new ATOM 0 HG23 THR A 74 10.246 5.155 -3.419 1.00 0.27 H new ATOM 1134 N PRO A 75 6.357 8.448 -3.182 1.00 0.14 N ATOM 1135 CA PRO A 75 5.586 7.251 -2.765 1.00 0.11 C ATOM 1136 C PRO A 75 4.996 6.519 -3.984 1.00 0.10 C ATOM 1137 O PRO A 75 4.833 7.101 -5.042 1.00 0.11 O ATOM 1138 CB PRO A 75 4.445 7.804 -1.904 1.00 0.08 C ATOM 1139 CG PRO A 75 4.456 9.356 -2.064 1.00 0.14 C ATOM 1140 CD PRO A 75 5.675 9.721 -2.931 1.00 0.15 C ATOM 0 HA PRO A 75 6.215 6.535 -2.236 1.00 0.11 H new ATOM 0 HB2 PRO A 75 3.488 7.391 -2.223 1.00 0.08 H new ATOM 0 HB3 PRO A 75 4.581 7.524 -0.859 1.00 0.08 H new ATOM 0 HG2 PRO A 75 3.534 9.700 -2.533 1.00 0.14 H new ATOM 0 HG3 PRO A 75 4.518 9.842 -1.090 1.00 0.14 H new ATOM 0 HD2 PRO A 75 5.368 10.195 -3.863 1.00 0.15 H new ATOM 0 HD3 PRO A 75 6.329 10.424 -2.416 1.00 0.15 H new ATOM 1148 N THR A 76 4.689 5.256 -3.804 1.00 0.18 N ATOM 1149 CA THR A 76 4.101 4.470 -4.931 1.00 0.17 C ATOM 1150 C THR A 76 2.941 3.613 -4.415 1.00 0.16 C ATOM 1151 O THR A 76 3.124 2.747 -3.587 1.00 0.09 O ATOM 1152 CB THR A 76 5.186 3.575 -5.544 1.00 0.17 C ATOM 1153 OG1 THR A 76 6.051 4.476 -6.229 1.00 0.23 O ATOM 1154 CG2 THR A 76 4.622 2.660 -6.630 1.00 0.22 C ATOM 0 H THR A 76 4.819 4.741 -2.933 1.00 0.18 H new ATOM 0 HA THR A 76 3.722 5.150 -5.694 1.00 0.17 H new ATOM 0 HB THR A 76 5.647 2.968 -4.765 1.00 0.17 H new ATOM 0 HG1 THR A 76 6.747 4.792 -5.615 1.00 0.23 H new ATOM 0 HG21 THR A 76 5.423 2.043 -7.038 1.00 0.22 H new ATOM 0 HG22 THR A 76 3.852 2.018 -6.201 1.00 0.22 H new ATOM 0 HG23 THR A 76 4.188 3.265 -7.426 1.00 0.22 H new ATOM 1162 N PHE A 77 1.765 3.878 -4.917 1.00 0.26 N ATOM 1163 CA PHE A 77 0.583 3.092 -4.459 1.00 0.25 C ATOM 1164 C PHE A 77 0.340 1.907 -5.389 1.00 0.25 C ATOM 1165 O PHE A 77 0.355 2.052 -6.596 1.00 0.29 O ATOM 1166 CB PHE A 77 -0.649 3.990 -4.465 1.00 0.27 C ATOM 1167 CG PHE A 77 -0.590 4.935 -3.270 1.00 0.27 C ATOM 1168 CD1 PHE A 77 -0.683 4.437 -1.985 1.00 0.22 C ATOM 1169 CD2 PHE A 77 -0.444 6.300 -3.457 1.00 0.34 C ATOM 1170 CE1 PHE A 77 -0.631 5.291 -0.901 1.00 0.22 C ATOM 1171 CE2 PHE A 77 -0.392 7.150 -2.372 1.00 0.34 C ATOM 1172 CZ PHE A 77 -0.486 6.646 -1.096 1.00 0.27 C ATOM 0 H PHE A 77 1.572 4.596 -5.616 1.00 0.26 H new ATOM 0 HA PHE A 77 0.774 2.721 -3.452 1.00 0.25 H new ATOM 0 HB2 PHE A 77 -0.693 4.561 -5.393 1.00 0.27 H new ATOM 0 HB3 PHE A 77 -1.554 3.385 -4.420 1.00 0.27 H new ATOM 0 HD1 PHE A 77 -0.797 3.375 -1.827 1.00 0.22 H new ATOM 0 HD2 PHE A 77 -0.371 6.700 -4.457 1.00 0.34 H new ATOM 0 HE1 PHE A 77 -0.704 4.895 0.101 1.00 0.22 H new ATOM 0 HE2 PHE A 77 -0.277 8.213 -2.525 1.00 0.34 H new ATOM 0 HZ PHE A 77 -0.446 7.313 -0.247 1.00 0.27 H new ATOM 1182 N GLN A 78 0.123 0.759 -4.803 1.00 0.20 N ATOM 1183 CA GLN A 78 -0.136 -0.463 -5.633 1.00 0.21 C ATOM 1184 C GLN A 78 -1.458 -1.123 -5.220 1.00 0.17 C ATOM 1185 O GLN A 78 -1.882 -1.010 -4.088 1.00 0.15 O ATOM 1186 CB GLN A 78 1.006 -1.445 -5.434 1.00 0.21 C ATOM 1187 CG GLN A 78 2.240 -0.947 -6.188 1.00 0.56 C ATOM 1188 CD GLN A 78 3.409 -1.894 -5.921 1.00 0.75 C ATOM 1189 OE1 GLN A 78 3.224 -3.028 -5.530 1.00 1.50 O ATOM 1190 NE2 GLN A 78 4.627 -1.470 -6.121 1.00 0.68 N ATOM 0 H GLN A 78 0.113 0.611 -3.794 1.00 0.20 H new ATOM 0 HA GLN A 78 -0.205 -0.175 -6.682 1.00 0.21 H new ATOM 0 HB2 GLN A 78 1.231 -1.548 -4.373 1.00 0.21 H new ATOM 0 HB3 GLN A 78 0.719 -2.432 -5.796 1.00 0.21 H new ATOM 0 HG2 GLN A 78 2.033 -0.899 -7.257 1.00 0.56 H new ATOM 0 HG3 GLN A 78 2.494 0.063 -5.867 1.00 0.56 H new ATOM 0 HE21 GLN A 78 4.788 -0.518 -6.450 1.00 0.68 H new ATOM 0 HE22 GLN A 78 5.418 -2.091 -5.949 1.00 0.68 H new ATOM 1199 N PHE A 79 -2.074 -1.806 -6.157 1.00 0.16 N ATOM 1200 CA PHE A 79 -3.381 -2.479 -5.863 1.00 0.14 C ATOM 1201 C PHE A 79 -3.221 -4.004 -5.978 1.00 0.14 C ATOM 1202 O PHE A 79 -2.742 -4.498 -6.980 1.00 0.18 O ATOM 1203 CB PHE A 79 -4.427 -2.005 -6.886 1.00 0.10 C ATOM 1204 CG PHE A 79 -4.842 -0.552 -6.591 1.00 0.13 C ATOM 1205 CD1 PHE A 79 -3.913 0.479 -6.640 1.00 0.14 C ATOM 1206 CD2 PHE A 79 -6.158 -0.249 -6.275 1.00 0.17 C ATOM 1207 CE1 PHE A 79 -4.296 1.777 -6.373 1.00 0.17 C ATOM 1208 CE2 PHE A 79 -6.532 1.052 -6.009 1.00 0.21 C ATOM 1209 CZ PHE A 79 -5.605 2.061 -6.060 1.00 0.21 C ATOM 0 H PHE A 79 -1.730 -1.926 -7.110 1.00 0.16 H new ATOM 0 HA PHE A 79 -3.700 -2.226 -4.852 1.00 0.14 H new ATOM 0 HB2 PHE A 79 -4.018 -2.076 -7.894 1.00 0.10 H new ATOM 0 HB3 PHE A 79 -5.301 -2.655 -6.850 1.00 0.10 H new ATOM 0 HD1 PHE A 79 -2.884 0.263 -6.889 1.00 0.14 H new ATOM 0 HD2 PHE A 79 -6.895 -1.037 -6.237 1.00 0.17 H new ATOM 0 HE1 PHE A 79 -3.566 2.572 -6.410 1.00 0.17 H new ATOM 0 HE2 PHE A 79 -7.559 1.277 -5.760 1.00 0.21 H new ATOM 0 HZ PHE A 79 -5.903 3.079 -5.854 1.00 0.21 H new ATOM 1219 N PHE A 80 -3.625 -4.715 -4.947 1.00 0.16 N ATOM 1220 CA PHE A 80 -3.507 -6.211 -4.985 1.00 0.16 C ATOM 1221 C PHE A 80 -4.861 -6.857 -4.686 1.00 0.12 C ATOM 1222 O PHE A 80 -5.625 -6.364 -3.881 1.00 0.14 O ATOM 1223 CB PHE A 80 -2.492 -6.660 -3.937 1.00 0.22 C ATOM 1224 CG PHE A 80 -1.089 -6.261 -4.393 1.00 0.27 C ATOM 1225 CD1 PHE A 80 -0.374 -7.067 -5.262 1.00 0.29 C ATOM 1226 CD2 PHE A 80 -0.518 -5.089 -3.940 1.00 0.37 C ATOM 1227 CE1 PHE A 80 0.894 -6.701 -5.669 1.00 0.33 C ATOM 1228 CE2 PHE A 80 0.750 -4.727 -4.347 1.00 0.41 C ATOM 1229 CZ PHE A 80 1.454 -5.532 -5.211 1.00 0.36 C ATOM 0 H PHE A 80 -4.026 -4.330 -4.092 1.00 0.16 H new ATOM 0 HA PHE A 80 -3.180 -6.518 -5.978 1.00 0.16 H new ATOM 0 HB2 PHE A 80 -2.719 -6.202 -2.974 1.00 0.22 H new ATOM 0 HB3 PHE A 80 -2.549 -7.740 -3.797 1.00 0.22 H new ATOM 0 HD1 PHE A 80 -0.810 -7.987 -5.624 1.00 0.29 H new ATOM 0 HD2 PHE A 80 -1.067 -4.451 -3.263 1.00 0.37 H new ATOM 0 HE1 PHE A 80 1.446 -7.334 -6.348 1.00 0.33 H new ATOM 0 HE2 PHE A 80 1.190 -3.809 -3.986 1.00 0.41 H new ATOM 0 HZ PHE A 80 2.446 -5.246 -5.529 1.00 0.36 H new ATOM 1239 N LYS A 81 -5.128 -7.950 -5.345 1.00 0.11 N ATOM 1240 CA LYS A 81 -6.426 -8.644 -5.115 1.00 0.10 C ATOM 1241 C LYS A 81 -6.253 -10.156 -5.291 1.00 0.11 C ATOM 1242 O LYS A 81 -5.583 -10.603 -6.197 1.00 0.23 O ATOM 1243 CB LYS A 81 -7.454 -8.126 -6.119 1.00 0.24 C ATOM 1244 CG LYS A 81 -8.846 -8.191 -5.489 1.00 0.63 C ATOM 1245 CD LYS A 81 -9.900 -7.963 -6.575 1.00 0.18 C ATOM 1246 CE LYS A 81 -11.271 -7.798 -5.917 1.00 0.62 C ATOM 1247 NZ LYS A 81 -11.656 -9.041 -5.191 1.00 1.82 N ATOM 0 H LYS A 81 -4.510 -8.390 -6.027 1.00 0.11 H new ATOM 0 HA LYS A 81 -6.767 -8.445 -4.099 1.00 0.10 H new ATOM 0 HB2 LYS A 81 -7.218 -7.101 -6.404 1.00 0.24 H new ATOM 0 HB3 LYS A 81 -7.425 -8.725 -7.029 1.00 0.24 H new ATOM 0 HG2 LYS A 81 -8.999 -9.160 -5.015 1.00 0.63 H new ATOM 0 HG3 LYS A 81 -8.941 -7.436 -4.709 1.00 0.63 H new ATOM 0 HD2 LYS A 81 -9.653 -7.075 -7.157 1.00 0.18 H new ATOM 0 HD3 LYS A 81 -9.914 -8.805 -7.267 1.00 0.18 H new ATOM 0 HE2 LYS A 81 -11.249 -6.957 -5.224 1.00 0.62 H new ATOM 0 HE3 LYS A 81 -12.019 -7.566 -6.675 1.00 0.62 H new ATOM 0 HZ1 LYS A 81 -12.672 -9.013 -4.970 1.00 1.82 H new ATOM 0 HZ2 LYS A 81 -11.454 -9.868 -5.788 1.00 1.82 H new ATOM 0 HZ3 LYS A 81 -11.111 -9.110 -4.308 1.00 1.82 H new ATOM 1261 N LYS A 82 -6.859 -10.906 -4.414 1.00 0.27 N ATOM 1262 CA LYS A 82 -6.749 -12.394 -4.513 1.00 0.45 C ATOM 1263 C LYS A 82 -5.279 -12.830 -4.557 1.00 0.38 C ATOM 1264 O LYS A 82 -4.983 -13.994 -4.751 1.00 0.46 O ATOM 1265 CB LYS A 82 -7.462 -12.865 -5.775 1.00 0.56 C ATOM 1266 CG LYS A 82 -8.929 -12.436 -5.706 1.00 1.58 C ATOM 1267 CD LYS A 82 -9.788 -13.459 -6.447 1.00 1.37 C ATOM 1268 CE LYS A 82 -10.155 -14.597 -5.491 1.00 0.20 C ATOM 1269 NZ LYS A 82 -11.353 -14.233 -4.684 1.00 1.78 N ATOM 0 H LYS A 82 -7.422 -10.560 -3.637 1.00 0.27 H new ATOM 0 HA LYS A 82 -7.213 -12.841 -3.634 1.00 0.45 H new ATOM 0 HB2 LYS A 82 -6.986 -12.439 -6.658 1.00 0.56 H new ATOM 0 HB3 LYS A 82 -7.390 -13.949 -5.866 1.00 0.56 H new ATOM 0 HG2 LYS A 82 -9.249 -12.359 -4.667 1.00 1.58 H new ATOM 0 HG3 LYS A 82 -9.053 -11.449 -6.151 1.00 1.58 H new ATOM 0 HD2 LYS A 82 -10.691 -12.984 -6.829 1.00 1.37 H new ATOM 0 HD3 LYS A 82 -9.246 -13.852 -7.307 1.00 1.37 H new ATOM 0 HE2 LYS A 82 -10.353 -15.507 -6.058 1.00 0.20 H new ATOM 0 HE3 LYS A 82 -9.315 -14.810 -4.830 1.00 0.20 H new ATOM 0 HZ1 LYS A 82 -11.459 -14.905 -3.898 1.00 1.78 H new ATOM 0 HZ2 LYS A 82 -11.237 -13.272 -4.304 1.00 1.78 H new ATOM 0 HZ3 LYS A 82 -12.200 -14.267 -5.286 1.00 1.78 H new ATOM 1283 N GLY A 83 -4.388 -11.890 -4.379 1.00 0.26 N ATOM 1284 CA GLY A 83 -2.938 -12.241 -4.396 1.00 0.26 C ATOM 1285 C GLY A 83 -2.318 -11.956 -5.768 1.00 0.23 C ATOM 1286 O GLY A 83 -1.412 -12.644 -6.194 1.00 0.52 O ATOM 0 H GLY A 83 -4.599 -10.904 -4.224 1.00 0.26 H new ATOM 0 HA2 GLY A 83 -2.413 -11.669 -3.630 1.00 0.26 H new ATOM 0 HA3 GLY A 83 -2.813 -13.295 -4.149 1.00 0.26 H new ATOM 1290 N GLN A 84 -2.816 -10.950 -6.433 1.00 0.26 N ATOM 1291 CA GLN A 84 -2.247 -10.610 -7.772 1.00 0.42 C ATOM 1292 C GLN A 84 -2.459 -9.125 -8.077 1.00 0.28 C ATOM 1293 O GLN A 84 -3.561 -8.620 -7.998 1.00 0.27 O ATOM 1294 CB GLN A 84 -2.922 -11.462 -8.849 1.00 0.64 C ATOM 1295 CG GLN A 84 -4.421 -11.554 -8.563 1.00 1.20 C ATOM 1296 CD GLN A 84 -5.122 -12.223 -9.746 1.00 1.22 C ATOM 1297 OE1 GLN A 84 -5.687 -11.567 -10.599 1.00 2.12 O ATOM 1298 NE2 GLN A 84 -5.110 -13.525 -9.836 1.00 0.97 N ATOM 0 H GLN A 84 -3.581 -10.355 -6.115 1.00 0.26 H new ATOM 0 HA GLN A 84 -1.177 -10.817 -7.764 1.00 0.42 H new ATOM 0 HB2 GLN A 84 -2.755 -11.023 -9.832 1.00 0.64 H new ATOM 0 HB3 GLN A 84 -2.483 -12.459 -8.867 1.00 0.64 H new ATOM 0 HG2 GLN A 84 -4.594 -12.127 -7.652 1.00 1.20 H new ATOM 0 HG3 GLN A 84 -4.833 -10.559 -8.397 1.00 1.20 H new ATOM 0 HE21 GLN A 84 -4.638 -14.081 -9.123 1.00 0.97 H new ATOM 0 HE22 GLN A 84 -5.573 -13.986 -10.619 1.00 0.97 H new ATOM 1307 N LYS A 85 -1.389 -8.458 -8.417 1.00 0.47 N ATOM 1308 CA LYS A 85 -1.491 -7.006 -8.726 1.00 0.38 C ATOM 1309 C LYS A 85 -2.500 -6.770 -9.855 1.00 0.32 C ATOM 1310 O LYS A 85 -2.582 -7.546 -10.788 1.00 0.36 O ATOM 1311 CB LYS A 85 -0.106 -6.499 -9.152 1.00 0.48 C ATOM 1312 CG LYS A 85 -0.043 -4.966 -9.057 1.00 0.52 C ATOM 1313 CD LYS A 85 1.423 -4.536 -8.945 1.00 0.68 C ATOM 1314 CE LYS A 85 2.181 -5.000 -10.191 1.00 0.74 C ATOM 1315 NZ LYS A 85 3.424 -4.198 -10.374 1.00 1.33 N ATOM 0 H LYS A 85 -0.453 -8.855 -8.493 1.00 0.47 H new ATOM 0 HA LYS A 85 -1.833 -6.467 -7.842 1.00 0.38 H new ATOM 0 HB2 LYS A 85 0.661 -6.941 -8.516 1.00 0.48 H new ATOM 0 HB3 LYS A 85 0.106 -6.815 -10.173 1.00 0.48 H new ATOM 0 HG2 LYS A 85 -0.502 -4.515 -9.936 1.00 0.52 H new ATOM 0 HG3 LYS A 85 -0.605 -4.619 -8.190 1.00 0.52 H new ATOM 0 HD2 LYS A 85 1.490 -3.453 -8.847 1.00 0.68 H new ATOM 0 HD3 LYS A 85 1.873 -4.966 -8.050 1.00 0.68 H new ATOM 0 HE2 LYS A 85 2.433 -6.056 -10.098 1.00 0.74 H new ATOM 0 HE3 LYS A 85 1.544 -4.900 -11.070 1.00 0.74 H new ATOM 0 HZ1 LYS A 85 3.926 -4.525 -11.224 1.00 1.33 H new ATOM 0 HZ2 LYS A 85 3.176 -3.194 -10.484 1.00 1.33 H new ATOM 0 HZ3 LYS A 85 4.038 -4.314 -9.542 1.00 1.33 H new ATOM 1329 N VAL A 86 -3.249 -5.703 -9.738 1.00 0.26 N ATOM 1330 CA VAL A 86 -4.262 -5.387 -10.793 1.00 0.24 C ATOM 1331 C VAL A 86 -4.191 -3.900 -11.174 1.00 0.19 C ATOM 1332 O VAL A 86 -4.580 -3.517 -12.259 1.00 0.25 O ATOM 1333 CB VAL A 86 -5.659 -5.715 -10.261 1.00 0.23 C ATOM 1334 CG1 VAL A 86 -5.930 -7.210 -10.445 1.00 0.27 C ATOM 1335 CG2 VAL A 86 -5.729 -5.372 -8.769 1.00 0.18 C ATOM 0 H VAL A 86 -3.205 -5.040 -8.964 1.00 0.26 H new ATOM 0 HA VAL A 86 -4.053 -5.985 -11.680 1.00 0.24 H new ATOM 0 HB VAL A 86 -6.403 -5.134 -10.806 1.00 0.23 H new ATOM 0 HG11 VAL A 86 -6.924 -7.449 -10.067 1.00 0.27 H new ATOM 0 HG12 VAL A 86 -5.874 -7.462 -11.504 1.00 0.27 H new ATOM 0 HG13 VAL A 86 -5.185 -7.785 -9.895 1.00 0.27 H new ATOM 0 HG21 VAL A 86 -6.723 -5.605 -8.388 1.00 0.18 H new ATOM 0 HG22 VAL A 86 -4.986 -5.957 -8.226 1.00 0.18 H new ATOM 0 HG23 VAL A 86 -5.527 -4.310 -8.630 1.00 0.18 H new ATOM 1345 N GLY A 87 -3.694 -3.094 -10.273 1.00 0.12 N ATOM 1346 CA GLY A 87 -3.588 -1.635 -10.570 1.00 0.10 C ATOM 1347 C GLY A 87 -2.384 -1.034 -9.846 1.00 0.14 C ATOM 1348 O GLY A 87 -1.934 -1.559 -8.846 1.00 0.16 O ATOM 0 H GLY A 87 -3.360 -3.379 -9.352 1.00 0.12 H new ATOM 0 HA2 GLY A 87 -3.489 -1.482 -11.645 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -4.500 -1.126 -10.258 1.00 0.10 H new ATOM 1352 N GLU A 88 -1.881 0.054 -10.362 1.00 0.19 N ATOM 1353 CA GLU A 88 -0.708 0.687 -9.698 1.00 0.29 C ATOM 1354 C GLU A 88 -0.434 2.085 -10.262 1.00 0.30 C ATOM 1355 O GLU A 88 -0.299 2.271 -11.454 1.00 0.30 O ATOM 1356 CB GLU A 88 0.530 -0.205 -9.881 1.00 0.37 C ATOM 1357 CG GLU A 88 1.054 -0.105 -11.321 1.00 0.52 C ATOM 1358 CD GLU A 88 -0.109 -0.247 -12.306 1.00 2.56 C ATOM 1359 OE1 GLU A 88 -0.825 -1.225 -12.159 1.00 3.42 O ATOM 1360 OE2 GLU A 88 -0.215 0.628 -13.151 1.00 3.55 O ATOM 0 H GLU A 88 -2.224 0.525 -11.199 1.00 0.19 H new ATOM 0 HA GLU A 88 -0.932 0.793 -8.636 1.00 0.29 H new ATOM 0 HB2 GLU A 88 1.310 0.097 -9.182 1.00 0.37 H new ATOM 0 HB3 GLU A 88 0.278 -1.240 -9.650 1.00 0.37 H new ATOM 0 HG2 GLU A 88 1.554 0.852 -11.470 1.00 0.52 H new ATOM 0 HG3 GLU A 88 1.794 -0.884 -11.503 1.00 0.52 H new ATOM 1367 N PHE A 89 -0.385 3.039 -9.376 1.00 0.32 N ATOM 1368 CA PHE A 89 -0.104 4.431 -9.797 1.00 0.34 C ATOM 1369 C PHE A 89 0.725 5.134 -8.715 1.00 0.31 C ATOM 1370 O PHE A 89 0.422 5.036 -7.540 1.00 0.29 O ATOM 1371 CB PHE A 89 -1.433 5.143 -10.013 1.00 0.37 C ATOM 1372 CG PHE A 89 -1.952 5.735 -8.695 1.00 0.36 C ATOM 1373 CD1 PHE A 89 -1.440 6.923 -8.202 1.00 0.41 C ATOM 1374 CD2 PHE A 89 -2.946 5.084 -7.984 1.00 0.32 C ATOM 1375 CE1 PHE A 89 -1.917 7.450 -7.017 1.00 0.42 C ATOM 1376 CE2 PHE A 89 -3.420 5.614 -6.801 1.00 0.33 C ATOM 1377 CZ PHE A 89 -2.907 6.796 -6.319 1.00 0.38 C ATOM 0 H PHE A 89 -0.529 2.910 -8.374 1.00 0.32 H new ATOM 0 HA PHE A 89 0.467 4.446 -10.725 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -1.311 5.936 -10.750 1.00 0.37 H new ATOM 0 HB3 PHE A 89 -2.165 4.443 -10.416 1.00 0.37 H new ATOM 0 HD1 PHE A 89 -0.664 7.440 -8.746 1.00 0.41 H new ATOM 0 HD2 PHE A 89 -3.353 4.156 -8.357 1.00 0.32 H new ATOM 0 HE1 PHE A 89 -1.512 8.377 -6.638 1.00 0.42 H new ATOM 0 HE2 PHE A 89 -4.195 5.100 -6.253 1.00 0.33 H new ATOM 0 HZ PHE A 89 -3.280 7.210 -5.394 1.00 0.38 H new ATOM 1387 N SER A 90 1.759 5.825 -9.136 1.00 0.30 N ATOM 1388 CA SER A 90 2.638 6.526 -8.145 1.00 0.27 C ATOM 1389 C SER A 90 2.538 8.042 -8.302 1.00 0.22 C ATOM 1390 O SER A 90 1.844 8.536 -9.169 1.00 0.25 O ATOM 1391 CB SER A 90 4.087 6.093 -8.373 1.00 0.26 C ATOM 1392 OG SER A 90 4.540 6.934 -9.424 1.00 0.45 O ATOM 0 H SER A 90 2.030 5.933 -10.113 1.00 0.30 H new ATOM 0 HA SER A 90 2.313 6.260 -7.139 1.00 0.27 H new ATOM 0 HB2 SER A 90 4.688 6.222 -7.473 1.00 0.26 H new ATOM 0 HB3 SER A 90 4.149 5.041 -8.650 1.00 0.26 H new ATOM 0 HG SER A 90 5.473 6.721 -9.634 1.00 0.45 H new ATOM 1398 N GLY A 91 3.243 8.744 -7.448 1.00 0.27 N ATOM 1399 CA GLY A 91 3.219 10.235 -7.508 1.00 0.40 C ATOM 1400 C GLY A 91 2.524 10.798 -6.269 1.00 0.45 C ATOM 1401 O GLY A 91 1.585 10.218 -5.768 1.00 0.47 O ATOM 0 H GLY A 91 3.832 8.348 -6.715 1.00 0.27 H new ATOM 0 HA2 GLY A 91 4.236 10.621 -7.571 1.00 0.40 H new ATOM 0 HA3 GLY A 91 2.698 10.562 -8.408 1.00 0.40 H new ATOM 1405 N ALA A 92 3.005 11.918 -5.800 1.00 0.50 N ATOM 1406 CA ALA A 92 2.381 12.535 -4.591 1.00 0.58 C ATOM 1407 C ALA A 92 0.907 12.855 -4.862 1.00 0.48 C ATOM 1408 O ALA A 92 0.550 13.987 -5.115 1.00 0.84 O ATOM 1409 CB ALA A 92 3.126 13.823 -4.248 1.00 0.74 C ATOM 0 H ALA A 92 3.794 12.429 -6.196 1.00 0.50 H new ATOM 0 HA ALA A 92 2.443 11.835 -3.758 1.00 0.58 H new ATOM 0 HB1 ALA A 92 2.676 14.280 -3.366 1.00 0.74 H new ATOM 0 HB2 ALA A 92 4.172 13.595 -4.045 1.00 0.74 H new ATOM 0 HB3 ALA A 92 3.062 14.515 -5.088 1.00 0.74 H new ATOM 1415 N ASN A 93 0.084 11.845 -4.804 1.00 0.28 N ATOM 1416 CA ASN A 93 -1.369 12.062 -5.054 1.00 0.28 C ATOM 1417 C ASN A 93 -2.188 11.110 -4.183 1.00 0.46 C ATOM 1418 O ASN A 93 -2.235 9.923 -4.438 1.00 0.51 O ATOM 1419 CB ASN A 93 -1.672 11.792 -6.529 1.00 0.32 C ATOM 1420 CG ASN A 93 -2.810 12.705 -6.990 1.00 0.29 C ATOM 1421 OD1 ASN A 93 -2.946 13.004 -8.161 1.00 0.30 O ATOM 1422 ND2 ASN A 93 -3.651 13.169 -6.105 1.00 0.30 N ATOM 0 H ASN A 93 0.352 10.883 -4.595 1.00 0.28 H new ATOM 0 HA ASN A 93 -1.631 13.091 -4.807 1.00 0.28 H new ATOM 0 HB2 ASN A 93 -0.782 11.969 -7.133 1.00 0.32 H new ATOM 0 HB3 ASN A 93 -1.950 10.747 -6.669 1.00 0.32 H new ATOM 0 HD21 ASN A 93 -4.415 13.778 -6.398 1.00 0.30 H new ATOM 0 HD22 ASN A 93 -3.543 12.923 -5.121 1.00 0.30 H new ATOM 1429 N LYS A 94 -2.819 11.652 -3.173 1.00 0.69 N ATOM 1430 CA LYS A 94 -3.632 10.789 -2.264 1.00 0.88 C ATOM 1431 C LYS A 94 -5.130 10.959 -2.549 1.00 0.83 C ATOM 1432 O LYS A 94 -5.870 9.995 -2.570 1.00 0.73 O ATOM 1433 CB LYS A 94 -3.339 11.172 -0.810 1.00 1.34 C ATOM 1434 CG LYS A 94 -3.139 12.688 -0.705 1.00 0.55 C ATOM 1435 CD LYS A 94 -1.643 13.004 -0.764 1.00 1.65 C ATOM 1436 CE LYS A 94 -1.456 14.516 -0.917 1.00 1.38 C ATOM 1437 NZ LYS A 94 -2.443 15.250 -0.076 1.00 1.04 N ATOM 0 H LYS A 94 -2.807 12.645 -2.940 1.00 0.69 H new ATOM 0 HA LYS A 94 -3.364 9.746 -2.436 1.00 0.88 H new ATOM 0 HB2 LYS A 94 -4.163 10.859 -0.168 1.00 1.34 H new ATOM 0 HB3 LYS A 94 -2.447 10.653 -0.460 1.00 1.34 H new ATOM 0 HG2 LYS A 94 -3.662 13.193 -1.517 1.00 0.55 H new ATOM 0 HG3 LYS A 94 -3.565 13.059 0.227 1.00 0.55 H new ATOM 0 HD2 LYS A 94 -1.149 12.654 0.142 1.00 1.65 H new ATOM 0 HD3 LYS A 94 -1.181 12.481 -1.602 1.00 1.65 H new ATOM 0 HE2 LYS A 94 -0.443 14.795 -0.627 1.00 1.38 H new ATOM 0 HE3 LYS A 94 -1.577 14.800 -1.962 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 -2.125 16.232 0.055 1.00 1.04 H new ATOM 0 HZ2 LYS A 94 -3.371 15.246 -0.546 1.00 1.04 H new ATOM 0 HZ3 LYS A 94 -2.523 14.785 0.851 1.00 1.04 H new ATOM 1451 N GLU A 95 -5.543 12.177 -2.761 1.00 0.98 N ATOM 1452 CA GLU A 95 -6.984 12.423 -3.040 1.00 1.13 C ATOM 1453 C GLU A 95 -7.448 11.571 -4.225 1.00 0.90 C ATOM 1454 O GLU A 95 -8.629 11.460 -4.489 1.00 1.02 O ATOM 1455 CB GLU A 95 -7.183 13.902 -3.364 1.00 1.39 C ATOM 1456 CG GLU A 95 -6.403 14.243 -4.634 1.00 1.83 C ATOM 1457 CD GLU A 95 -7.381 14.404 -5.798 1.00 2.08 C ATOM 1458 OE1 GLU A 95 -7.956 15.477 -5.878 1.00 1.65 O ATOM 1459 OE2 GLU A 95 -7.500 13.444 -6.542 1.00 3.08 O ATOM 0 H GLU A 95 -4.950 13.007 -2.753 1.00 0.98 H new ATOM 0 HA GLU A 95 -7.572 12.152 -2.163 1.00 1.13 H new ATOM 0 HB2 GLU A 95 -8.242 14.118 -3.504 1.00 1.39 H new ATOM 0 HB3 GLU A 95 -6.839 14.519 -2.534 1.00 1.39 H new ATOM 0 HG2 GLU A 95 -5.836 15.163 -4.491 1.00 1.83 H new ATOM 0 HG3 GLU A 95 -5.683 13.455 -4.855 1.00 1.83 H new ATOM 1466 N LYS A 96 -6.506 10.987 -4.914 1.00 0.66 N ATOM 1467 CA LYS A 96 -6.874 10.140 -6.083 1.00 0.60 C ATOM 1468 C LYS A 96 -7.216 8.721 -5.618 1.00 0.44 C ATOM 1469 O LYS A 96 -8.049 8.057 -6.203 1.00 0.41 O ATOM 1470 CB LYS A 96 -5.692 10.091 -7.051 1.00 0.53 C ATOM 1471 CG LYS A 96 -6.080 9.262 -8.277 1.00 0.79 C ATOM 1472 CD LYS A 96 -4.966 9.361 -9.323 1.00 0.37 C ATOM 1473 CE LYS A 96 -4.471 7.956 -9.665 1.00 2.06 C ATOM 1474 NZ LYS A 96 -3.483 8.008 -10.779 1.00 2.32 N ATOM 0 H LYS A 96 -5.507 11.058 -4.721 1.00 0.66 H new ATOM 0 HA LYS A 96 -7.745 10.566 -6.580 1.00 0.60 H new ATOM 0 HB2 LYS A 96 -5.412 11.100 -7.353 1.00 0.53 H new ATOM 0 HB3 LYS A 96 -4.823 9.652 -6.561 1.00 0.53 H new ATOM 0 HG2 LYS A 96 -6.237 8.222 -7.993 1.00 0.79 H new ATOM 0 HG3 LYS A 96 -7.020 9.624 -8.693 1.00 0.79 H new ATOM 0 HD2 LYS A 96 -5.336 9.857 -10.220 1.00 0.37 H new ATOM 0 HD3 LYS A 96 -4.144 9.966 -8.940 1.00 0.37 H new ATOM 0 HE2 LYS A 96 -4.014 7.501 -8.786 1.00 2.06 H new ATOM 0 HE3 LYS A 96 -5.314 7.326 -9.948 1.00 2.06 H new ATOM 0 HZ1 LYS A 96 -3.811 7.407 -11.562 1.00 2.32 H new ATOM 0 HZ2 LYS A 96 -3.387 8.988 -11.112 1.00 2.32 H new ATOM 0 HZ3 LYS A 96 -2.561 7.665 -10.442 1.00 2.32 H new ATOM 1488 N LEU A 97 -6.566 8.286 -4.572 1.00 0.42 N ATOM 1489 CA LEU A 97 -6.847 6.914 -4.053 1.00 0.37 C ATOM 1490 C LEU A 97 -8.361 6.683 -3.990 1.00 0.36 C ATOM 1491 O LEU A 97 -8.832 5.576 -4.156 1.00 0.46 O ATOM 1492 CB LEU A 97 -6.261 6.771 -2.645 1.00 0.48 C ATOM 1493 CG LEU A 97 -4.750 7.026 -2.681 1.00 0.40 C ATOM 1494 CD1 LEU A 97 -4.304 7.551 -1.314 1.00 0.55 C ATOM 1495 CD2 LEU A 97 -4.020 5.712 -2.975 1.00 0.18 C ATOM 0 H LEU A 97 -5.860 8.814 -4.059 1.00 0.42 H new ATOM 0 HA LEU A 97 -6.393 6.180 -4.719 1.00 0.37 H new ATOM 0 HB2 LEU A 97 -6.742 7.477 -1.968 1.00 0.48 H new ATOM 0 HB3 LEU A 97 -6.461 5.772 -2.258 1.00 0.48 H new ATOM 0 HG LEU A 97 -4.517 7.755 -3.457 1.00 0.40 H new ATOM 0 HD11 LEU A 97 -3.230 7.736 -1.328 1.00 0.55 H new ATOM 0 HD12 LEU A 97 -4.829 8.480 -1.092 1.00 0.55 H new ATOM 0 HD13 LEU A 97 -4.535 6.811 -0.547 1.00 0.55 H new ATOM 0 HD21 LEU A 97 -2.945 5.891 -3.001 1.00 0.18 H new ATOM 0 HD22 LEU A 97 -4.248 4.986 -2.194 1.00 0.18 H new ATOM 0 HD23 LEU A 97 -4.346 5.322 -3.939 1.00 0.18 H new ATOM 1507 N GLU A 98 -9.092 7.741 -3.749 1.00 0.46 N ATOM 1508 CA GLU A 98 -10.579 7.612 -3.666 1.00 0.53 C ATOM 1509 C GLU A 98 -11.135 7.026 -4.958 1.00 0.48 C ATOM 1510 O GLU A 98 -11.631 5.916 -4.984 1.00 0.50 O ATOM 1511 CB GLU A 98 -11.186 8.996 -3.430 1.00 0.62 C ATOM 1512 CG GLU A 98 -12.709 8.907 -3.551 1.00 0.99 C ATOM 1513 CD GLU A 98 -13.348 10.052 -2.759 1.00 1.01 C ATOM 1514 OE1 GLU A 98 -13.263 11.165 -3.253 1.00 2.04 O ATOM 1515 OE2 GLU A 98 -13.883 9.750 -1.706 1.00 0.90 O ATOM 0 H GLU A 98 -8.727 8.683 -3.607 1.00 0.46 H new ATOM 0 HA GLU A 98 -10.835 6.945 -2.843 1.00 0.53 H new ATOM 0 HB2 GLU A 98 -10.909 9.364 -2.442 1.00 0.62 H new ATOM 0 HB3 GLU A 98 -10.793 9.707 -4.157 1.00 0.62 H new ATOM 0 HG2 GLU A 98 -13.006 8.964 -4.598 1.00 0.99 H new ATOM 0 HG3 GLU A 98 -13.060 7.947 -3.172 1.00 0.99 H new ATOM 1522 N ALA A 99 -11.042 7.787 -5.999 1.00 0.45 N ATOM 1523 CA ALA A 99 -11.561 7.305 -7.313 1.00 0.46 C ATOM 1524 C ALA A 99 -10.959 5.938 -7.644 1.00 0.33 C ATOM 1525 O ALA A 99 -11.669 4.968 -7.824 1.00 0.24 O ATOM 1526 CB ALA A 99 -11.176 8.307 -8.399 1.00 0.51 C ATOM 0 H ALA A 99 -10.632 8.721 -6.007 1.00 0.45 H new ATOM 0 HA ALA A 99 -12.646 7.212 -7.261 1.00 0.46 H new ATOM 0 HB1 ALA A 99 -11.552 7.962 -9.362 1.00 0.51 H new ATOM 0 HB2 ALA A 99 -11.610 9.279 -8.167 1.00 0.51 H new ATOM 0 HB3 ALA A 99 -10.091 8.396 -8.444 1.00 0.51 H new ATOM 1532 N THR A 100 -9.660 5.892 -7.715 1.00 0.52 N ATOM 1533 CA THR A 100 -8.989 4.600 -8.032 1.00 0.40 C ATOM 1534 C THR A 100 -9.593 3.474 -7.188 1.00 0.28 C ATOM 1535 O THR A 100 -9.894 2.414 -7.694 1.00 0.20 O ATOM 1536 CB THR A 100 -7.497 4.732 -7.733 1.00 0.40 C ATOM 1537 OG1 THR A 100 -7.115 5.965 -8.335 1.00 0.51 O ATOM 1538 CG2 THR A 100 -6.677 3.662 -8.452 1.00 0.31 C ATOM 0 H THR A 100 -9.036 6.686 -7.569 1.00 0.52 H new ATOM 0 HA THR A 100 -9.134 4.360 -9.085 1.00 0.40 H new ATOM 0 HB THR A 100 -7.327 4.654 -6.659 1.00 0.40 H new ATOM 0 HG1 THR A 100 -6.148 6.091 -8.238 1.00 0.51 H new ATOM 0 HG21 THR A 100 -5.621 3.791 -8.213 1.00 0.31 H new ATOM 0 HG22 THR A 100 -7.004 2.674 -8.128 1.00 0.31 H new ATOM 0 HG23 THR A 100 -6.819 3.757 -9.528 1.00 0.31 H new ATOM 1546 N ILE A 101 -9.756 3.720 -5.914 1.00 0.30 N ATOM 1547 CA ILE A 101 -10.357 2.664 -5.050 1.00 0.25 C ATOM 1548 C ILE A 101 -11.738 2.320 -5.583 1.00 0.19 C ATOM 1549 O ILE A 101 -12.145 1.175 -5.590 1.00 0.11 O ATOM 1550 CB ILE A 101 -10.467 3.179 -3.608 1.00 0.36 C ATOM 1551 CG1 ILE A 101 -9.130 2.932 -2.887 1.00 0.35 C ATOM 1552 CG2 ILE A 101 -11.589 2.420 -2.883 1.00 0.40 C ATOM 1553 CD1 ILE A 101 -9.142 3.607 -1.505 1.00 0.70 C ATOM 0 H ILE A 101 -9.504 4.589 -5.443 1.00 0.30 H new ATOM 0 HA ILE A 101 -9.728 1.774 -5.060 1.00 0.25 H new ATOM 0 HB ILE A 101 -10.693 4.245 -3.609 1.00 0.36 H new ATOM 0 HG12 ILE A 101 -8.960 1.861 -2.776 1.00 0.35 H new ATOM 0 HG13 ILE A 101 -8.308 3.325 -3.485 1.00 0.35 H new ATOM 0 HG21 ILE A 101 -11.671 2.783 -1.858 1.00 0.40 H new ATOM 0 HG22 ILE A 101 -12.533 2.584 -3.402 1.00 0.40 H new ATOM 0 HG23 ILE A 101 -11.360 1.354 -2.873 1.00 0.40 H new ATOM 0 HD11 ILE A 101 -8.191 3.426 -1.003 1.00 0.70 H new ATOM 0 HD12 ILE A 101 -9.290 4.680 -1.625 1.00 0.70 H new ATOM 0 HD13 ILE A 101 -9.953 3.194 -0.905 1.00 0.70 H new ATOM 1565 N ASN A 102 -12.426 3.326 -6.025 1.00 0.28 N ATOM 1566 CA ASN A 102 -13.782 3.097 -6.588 1.00 0.26 C ATOM 1567 C ASN A 102 -13.659 2.216 -7.828 1.00 0.22 C ATOM 1568 O ASN A 102 -14.632 1.673 -8.312 1.00 0.24 O ATOM 1569 CB ASN A 102 -14.397 4.443 -6.973 1.00 0.42 C ATOM 1570 CG ASN A 102 -15.878 4.459 -6.591 1.00 0.24 C ATOM 1571 OD1 ASN A 102 -16.519 3.431 -6.493 1.00 0.35 O ATOM 1572 ND2 ASN A 102 -16.460 5.606 -6.366 1.00 0.75 N ATOM 0 H ASN A 102 -12.112 4.296 -6.022 1.00 0.28 H new ATOM 0 HA ASN A 102 -14.417 2.606 -5.851 1.00 0.26 H new ATOM 0 HB2 ASN A 102 -13.872 5.252 -6.466 1.00 0.42 H new ATOM 0 HB3 ASN A 102 -14.286 4.612 -8.044 1.00 0.42 H new ATOM 0 HD21 ASN A 102 -17.447 5.636 -6.110 1.00 0.75 H new ATOM 0 HD22 ASN A 102 -15.928 6.472 -6.447 1.00 0.75 H new ATOM 1579 N GLU A 103 -12.452 2.094 -8.315 1.00 0.25 N ATOM 1580 CA GLU A 103 -12.233 1.259 -9.524 1.00 0.35 C ATOM 1581 C GLU A 103 -12.318 -0.233 -9.174 1.00 0.33 C ATOM 1582 O GLU A 103 -13.010 -0.981 -9.837 1.00 0.44 O ATOM 1583 CB GLU A 103 -10.850 1.569 -10.104 1.00 0.43 C ATOM 1584 CG GLU A 103 -10.826 1.166 -11.581 1.00 0.71 C ATOM 1585 CD GLU A 103 -11.170 2.382 -12.445 1.00 0.84 C ATOM 1586 OE1 GLU A 103 -12.353 2.554 -12.691 1.00 2.16 O ATOM 1587 OE2 GLU A 103 -10.232 3.069 -12.812 1.00 0.78 O ATOM 0 H GLU A 103 -11.617 2.534 -7.929 1.00 0.25 H new ATOM 0 HA GLU A 103 -13.007 1.488 -10.257 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -10.628 2.631 -10.000 1.00 0.43 H new ATOM 0 HB3 GLU A 103 -10.081 1.027 -9.554 1.00 0.43 H new ATOM 0 HG2 GLU A 103 -9.841 0.782 -11.849 1.00 0.71 H new ATOM 0 HG3 GLU A 103 -11.541 0.363 -11.762 1.00 0.71 H new ATOM 1594 N LEU A 104 -11.614 -0.637 -8.134 1.00 0.26 N ATOM 1595 CA LEU A 104 -11.636 -2.091 -7.746 1.00 0.36 C ATOM 1596 C LEU A 104 -12.373 -2.307 -6.411 1.00 0.51 C ATOM 1597 O LEU A 104 -12.304 -3.378 -5.843 1.00 0.85 O ATOM 1598 CB LEU A 104 -10.199 -2.603 -7.599 1.00 0.26 C ATOM 1599 CG LEU A 104 -9.320 -2.043 -8.723 1.00 0.35 C ATOM 1600 CD1 LEU A 104 -7.912 -2.632 -8.590 1.00 0.34 C ATOM 1601 CD2 LEU A 104 -9.907 -2.442 -10.084 1.00 0.55 C ATOM 0 H LEU A 104 -11.036 -0.035 -7.548 1.00 0.26 H new ATOM 0 HA LEU A 104 -12.162 -2.637 -8.529 1.00 0.36 H new ATOM 0 HB2 LEU A 104 -9.797 -2.306 -6.631 1.00 0.26 H new ATOM 0 HB3 LEU A 104 -10.189 -3.693 -7.628 1.00 0.26 H new ATOM 0 HG LEU A 104 -9.280 -0.956 -8.651 1.00 0.35 H new ATOM 0 HD11 LEU A 104 -7.277 -2.241 -9.385 1.00 0.34 H new ATOM 0 HD12 LEU A 104 -7.493 -2.357 -7.622 1.00 0.34 H new ATOM 0 HD13 LEU A 104 -7.963 -3.718 -8.668 1.00 0.34 H new ATOM 0 HD21 LEU A 104 -9.280 -2.043 -10.882 1.00 0.55 H new ATOM 0 HD22 LEU A 104 -9.943 -3.529 -10.160 1.00 0.55 H new ATOM 0 HD23 LEU A 104 -10.915 -2.038 -10.178 1.00 0.55 H new ATOM 1613 N VAL A 105 -13.059 -1.302 -5.934 1.00 0.36 N ATOM 1614 CA VAL A 105 -13.789 -1.482 -4.635 1.00 0.61 C ATOM 1615 C VAL A 105 -14.604 -2.780 -4.667 1.00 1.01 C ATOM 1616 O VAL A 105 -14.882 -3.217 -5.771 1.00 0.54 O ATOM 1617 CB VAL A 105 -14.730 -0.299 -4.408 1.00 0.37 C ATOM 1618 CG1 VAL A 105 -15.988 -0.486 -5.260 1.00 0.70 C ATOM 1619 CG2 VAL A 105 -15.129 -0.246 -2.932 1.00 0.76 C ATOM 1620 OXT VAL A 105 -14.903 -3.259 -3.585 1.00 2.10 O ATOM 0 H VAL A 105 -13.148 -0.385 -6.371 1.00 0.36 H new ATOM 0 HA VAL A 105 -13.063 -1.534 -3.824 1.00 0.61 H new ATOM 0 HB VAL A 105 -14.228 0.627 -4.687 1.00 0.37 H new ATOM 0 HG11 VAL A 105 -16.663 0.355 -5.102 1.00 0.70 H new ATOM 0 HG12 VAL A 105 -15.710 -0.536 -6.313 1.00 0.70 H new ATOM 0 HG13 VAL A 105 -16.488 -1.411 -4.973 1.00 0.70 H new ATOM 0 HG21 VAL A 105 -15.800 0.597 -2.767 1.00 0.76 H new ATOM 0 HG22 VAL A 105 -15.635 -1.172 -2.658 1.00 0.76 H new ATOM 0 HG23 VAL A 105 -14.237 -0.125 -2.318 1.00 0.76 H new