USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1017 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 105 ASN : amide:sc= 0.292 X(o=0.56,f=0.25) USER MOD Set 1.2: A 110 THR OG1 : rot 120:sc= 0.273 USER MOD Set 2.1: A 100 SER OG : rot 170:sc= 0.0291 USER MOD Set 2.2: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 111 ASN : amide:sc= 0.0288 X(o=0.058,f=0.33) USER MOD Set 3.1: A 81 THR OG1 : rot -109:sc= 0.378 USER MOD Set 3.2: A 93 THR OG1 : rot -160:sc= 0.353 USER MOD Set 4.1: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 113 MET CE :methyl 179:sc= 0 (180deg=-0.00274) USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.35) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 12 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Set 6.2: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.231 USER MOD Single : A 4 SER OG : rot 37:sc= 0.135 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 10 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.015) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.052) USER MOD Single : A 33 LYS NZ :NH3+ 135:sc= 0 (180deg=-0.536) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.0565 X(o=0.056,f=-0.19) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0305) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0441 K(o=-0.044,f=-1.2) USER MOD Single : A 69 CYS SG : rot -109:sc= -0.672 USER MOD Single : A 73 THR OG1 : rot -150:sc= 0 USER MOD Single : A 75 THR OG1 : rot 159:sc= 0.0505 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.632) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.701 -10.196 12.798 1.00 0.00 N ATOM 2 CA SER A 2 9.251 -10.463 14.170 1.00 0.00 C ATOM 3 C SER A 2 8.671 -9.170 14.796 1.00 0.00 C ATOM 4 O SER A 2 9.400 -8.213 15.075 1.00 0.00 O ATOM 5 CB SER A 2 10.373 -11.105 15.018 1.00 0.00 C ATOM 6 OG SER A 2 11.512 -10.260 15.153 1.00 0.00 O ATOM 0 HA SER A 2 8.447 -11.198 14.148 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.983 -11.344 16.008 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.676 -12.046 14.559 1.00 0.00 H new ATOM 0 HG SER A 2 11.226 -9.323 15.156 1.00 0.00 H new ATOM 12 N PHE A 3 7.346 -9.165 15.017 1.00 0.00 N ATOM 13 CA PHE A 3 6.600 -7.978 15.531 1.00 0.00 C ATOM 14 C PHE A 3 6.746 -7.612 17.044 1.00 0.00 C ATOM 15 O PHE A 3 6.206 -6.574 17.436 1.00 0.00 O ATOM 16 CB PHE A 3 5.098 -8.149 15.163 1.00 0.00 C ATOM 17 CG PHE A 3 4.745 -7.943 13.679 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.732 -6.649 13.147 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.413 -9.024 12.856 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.394 -6.439 11.814 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.070 -8.811 11.525 1.00 0.00 C ATOM 22 CZ PHE A 3 4.062 -7.520 11.005 1.00 0.00 C ATOM 0 H PHE A 3 6.752 -9.977 14.848 1.00 0.00 H new ATOM 0 HA PHE A 3 7.072 -7.127 15.040 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.783 -9.150 15.456 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.515 -7.445 15.757 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.986 -5.808 13.775 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.423 -10.027 13.255 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.389 -5.438 11.408 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.810 -9.648 10.894 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.797 -7.357 9.971 1.00 0.00 H new ATOM 32 N SER A 4 7.474 -8.378 17.885 1.00 0.00 N ATOM 33 CA SER A 4 7.719 -8.020 19.300 1.00 0.00 C ATOM 34 C SER A 4 8.734 -6.846 19.430 1.00 0.00 C ATOM 35 O SER A 4 9.905 -6.975 19.055 1.00 0.00 O ATOM 36 CB SER A 4 8.177 -9.289 20.053 1.00 0.00 C ATOM 37 OG SER A 4 9.374 -9.854 19.520 1.00 0.00 O ATOM 0 H SER A 4 7.907 -9.258 17.604 1.00 0.00 H new ATOM 0 HA SER A 4 6.797 -7.656 19.754 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.334 -9.044 21.103 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.382 -10.034 20.015 1.00 0.00 H new ATOM 0 HG SER A 4 9.975 -9.135 19.231 1.00 0.00 H new ATOM 43 N GLY A 5 8.250 -5.702 19.934 1.00 0.00 N ATOM 44 CA GLY A 5 9.061 -4.473 20.034 1.00 0.00 C ATOM 45 C GLY A 5 8.243 -3.249 20.495 1.00 0.00 C ATOM 46 O GLY A 5 7.023 -3.166 20.314 1.00 0.00 O ATOM 0 H GLY A 5 7.296 -5.599 20.281 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.880 -4.640 20.733 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.509 -4.260 19.064 1.00 0.00 H new ATOM 50 N LYS A 6 8.969 -2.274 21.061 1.00 0.00 N ATOM 51 CA LYS A 6 8.390 -0.995 21.544 1.00 0.00 C ATOM 52 C LYS A 6 8.678 0.093 20.470 1.00 0.00 C ATOM 53 O LYS A 6 9.808 0.580 20.357 1.00 0.00 O ATOM 54 CB LYS A 6 9.002 -0.721 22.945 1.00 0.00 C ATOM 55 CG LYS A 6 8.372 0.465 23.699 1.00 0.00 C ATOM 56 CD LYS A 6 8.892 0.608 25.144 1.00 0.00 C ATOM 57 CE LYS A 6 8.275 1.813 25.877 1.00 0.00 C ATOM 58 NZ LYS A 6 8.785 1.928 27.256 1.00 0.00 N ATOM 0 H LYS A 6 9.977 -2.343 21.201 1.00 0.00 H new ATOM 0 HA LYS A 6 7.308 -1.011 21.671 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.898 -1.619 23.554 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.070 -0.536 22.831 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.577 1.386 23.153 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.289 0.341 23.719 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.669 -0.303 25.699 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.977 0.714 25.127 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.499 2.728 25.328 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.190 1.711 25.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.349 2.750 27.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.549 1.065 27.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.818 2.050 27.235 1.00 0.00 H new ATOM 72 N TYR A 7 7.653 0.422 19.657 1.00 0.00 N ATOM 73 CA TYR A 7 7.834 1.211 18.406 1.00 0.00 C ATOM 74 C TYR A 7 7.329 2.655 18.626 1.00 0.00 C ATOM 75 O TYR A 7 6.121 2.884 18.716 1.00 0.00 O ATOM 76 CB TYR A 7 7.133 0.557 17.178 1.00 0.00 C ATOM 77 CG TYR A 7 7.586 -0.867 16.806 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.705 -1.075 15.992 1.00 0.00 C ATOM 79 CD2 TYR A 7 6.856 -1.969 17.262 1.00 0.00 C ATOM 80 CE1 TYR A 7 9.101 -2.370 15.658 1.00 0.00 C ATOM 81 CE2 TYR A 7 7.256 -3.260 16.933 1.00 0.00 C ATOM 82 CZ TYR A 7 8.379 -3.462 16.139 1.00 0.00 C ATOM 83 OH TYR A 7 8.783 -4.740 15.854 1.00 0.00 O ATOM 0 H TYR A 7 6.686 0.156 19.840 1.00 0.00 H new ATOM 0 HA TYR A 7 8.899 1.229 18.176 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.060 0.535 17.370 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.289 1.202 16.313 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.264 -0.229 15.621 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.978 -1.817 17.872 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.964 -2.527 15.029 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.693 -4.107 17.295 1.00 0.00 H new ATOM 0 HH TYR A 7 8.166 -5.378 16.269 1.00 0.00 H new ATOM 93 N GLN A 8 8.257 3.630 18.682 1.00 0.00 N ATOM 94 CA GLN A 8 7.902 5.066 18.813 1.00 0.00 C ATOM 95 C GLN A 8 7.575 5.650 17.413 1.00 0.00 C ATOM 96 O GLN A 8 8.384 5.568 16.484 1.00 0.00 O ATOM 97 CB GLN A 8 9.050 5.834 19.534 1.00 0.00 C ATOM 98 CG GLN A 8 8.894 7.369 19.701 1.00 0.00 C ATOM 99 CD GLN A 8 7.648 7.851 20.474 1.00 0.00 C ATOM 100 OE1 GLN A 8 6.510 7.667 20.043 1.00 0.00 O ATOM 101 NE2 GLN A 8 7.818 8.494 21.617 1.00 0.00 N ATOM 0 H GLN A 8 9.261 3.454 18.639 1.00 0.00 H new ATOM 0 HA GLN A 8 7.010 5.180 19.428 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.174 5.399 20.526 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.974 5.648 18.987 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.780 7.749 20.209 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.877 7.821 18.709 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.759 8.650 21.980 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.009 8.834 22.136 1.00 0.00 H new ATOM 110 N LEU A 9 6.396 6.289 17.306 1.00 0.00 N ATOM 111 CA LEU A 9 5.948 6.984 16.075 1.00 0.00 C ATOM 112 C LEU A 9 6.868 8.187 15.714 1.00 0.00 C ATOM 113 O LEU A 9 7.152 9.058 16.542 1.00 0.00 O ATOM 114 CB LEU A 9 4.449 7.357 16.243 1.00 0.00 C ATOM 115 CG LEU A 9 3.740 8.072 15.060 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.764 7.254 13.754 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.289 8.408 15.453 1.00 0.00 C ATOM 0 H LEU A 9 5.722 6.341 18.070 1.00 0.00 H new ATOM 0 HA LEU A 9 6.035 6.321 15.214 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.899 6.441 16.458 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.360 7.996 17.122 1.00 0.00 H new ATOM 0 HG LEU A 9 4.297 8.987 14.860 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.253 7.809 12.968 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.797 7.073 13.457 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.259 6.301 13.912 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.794 8.910 14.622 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.755 7.489 15.692 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.290 9.064 16.323 1.00 0.00 H new ATOM 129 N GLN A 10 7.350 8.161 14.462 1.00 0.00 N ATOM 130 CA GLN A 10 8.344 9.124 13.928 1.00 0.00 C ATOM 131 C GLN A 10 7.724 10.113 12.897 1.00 0.00 C ATOM 132 O GLN A 10 7.936 11.320 13.044 1.00 0.00 O ATOM 133 CB GLN A 10 9.552 8.316 13.366 1.00 0.00 C ATOM 134 CG GLN A 10 10.877 9.098 13.210 1.00 0.00 C ATOM 135 CD GLN A 10 11.507 9.559 14.538 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.456 10.736 14.894 1.00 0.00 O ATOM 137 NE2 GLN A 10 12.090 8.647 15.303 1.00 0.00 N ATOM 0 H GLN A 10 7.060 7.463 13.777 1.00 0.00 H new ATOM 0 HA GLN A 10 8.699 9.770 14.731 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.731 7.464 14.022 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.273 7.914 12.392 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.594 8.471 12.681 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.697 9.973 12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.127 7.674 14.999 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.502 8.918 16.196 1.00 0.00 H new ATOM 146 N SER A 11 6.996 9.628 11.862 1.00 0.00 N ATOM 147 CA SER A 11 6.386 10.490 10.818 1.00 0.00 C ATOM 148 C SER A 11 4.999 9.917 10.428 1.00 0.00 C ATOM 149 O SER A 11 4.905 8.916 9.710 1.00 0.00 O ATOM 150 CB SER A 11 7.335 10.587 9.600 1.00 0.00 C ATOM 151 OG SER A 11 6.820 11.483 8.622 1.00 0.00 O ATOM 0 H SER A 11 6.815 8.633 11.727 1.00 0.00 H new ATOM 0 HA SER A 11 6.238 11.500 11.200 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.318 10.926 9.927 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.468 9.599 9.159 1.00 0.00 H new ATOM 0 HG SER A 11 7.438 11.529 7.863 1.00 0.00 H new ATOM 157 N GLN A 12 3.926 10.590 10.879 1.00 0.00 N ATOM 158 CA GLN A 12 2.529 10.260 10.482 1.00 0.00 C ATOM 159 C GLN A 12 2.090 11.165 9.296 1.00 0.00 C ATOM 160 O GLN A 12 2.154 12.397 9.379 1.00 0.00 O ATOM 161 CB GLN A 12 1.575 10.308 11.708 1.00 0.00 C ATOM 162 CG GLN A 12 1.365 11.673 12.412 1.00 0.00 C ATOM 163 CD GLN A 12 0.916 11.620 13.884 1.00 0.00 C ATOM 164 OE1 GLN A 12 1.582 12.154 14.770 1.00 0.00 O ATOM 165 NE2 GLN A 12 -0.209 10.997 14.192 1.00 0.00 N ATOM 0 H GLN A 12 3.993 11.376 11.526 1.00 0.00 H new ATOM 0 HA GLN A 12 2.477 9.233 10.122 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.599 9.944 11.386 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.949 9.603 12.450 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.299 12.232 12.359 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.623 12.238 11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.763 10.553 13.460 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.522 10.960 15.162 1.00 0.00 H new ATOM 174 N GLU A 13 1.674 10.534 8.183 1.00 0.00 N ATOM 175 CA GLU A 13 1.479 11.231 6.881 1.00 0.00 C ATOM 176 C GLU A 13 0.184 12.094 6.813 1.00 0.00 C ATOM 177 O GLU A 13 0.297 13.303 6.590 1.00 0.00 O ATOM 178 CB GLU A 13 1.620 10.192 5.733 1.00 0.00 C ATOM 179 CG GLU A 13 1.695 10.784 4.310 1.00 0.00 C ATOM 180 CD GLU A 13 1.958 9.718 3.243 1.00 0.00 C ATOM 181 OE1 GLU A 13 1.006 9.018 2.834 1.00 0.00 O ATOM 182 OE2 GLU A 13 3.123 9.573 2.809 1.00 0.00 O ATOM 0 H GLU A 13 1.463 9.537 8.151 1.00 0.00 H new ATOM 0 HA GLU A 13 2.263 11.979 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.518 9.600 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.773 9.508 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.760 11.297 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.486 11.533 4.273 1.00 0.00 H new ATOM 189 N ASN A 14 -1.014 11.494 6.975 1.00 0.00 N ATOM 190 CA ASN A 14 -2.306 12.227 6.885 1.00 0.00 C ATOM 191 C ASN A 14 -3.160 11.923 8.146 1.00 0.00 C ATOM 192 O ASN A 14 -4.159 11.201 8.079 1.00 0.00 O ATOM 193 CB ASN A 14 -3.045 11.872 5.559 1.00 0.00 C ATOM 194 CG ASN A 14 -2.465 12.451 4.250 1.00 0.00 C ATOM 195 OD1 ASN A 14 -1.668 13.389 4.232 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.885 11.916 3.114 1.00 0.00 N ATOM 0 H ASN A 14 -1.119 10.498 7.170 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.123 13.301 6.859 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.069 10.786 5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.078 12.208 5.648 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.548 12.281 2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.545 11.139 3.130 1.00 0.00 H new ATOM 203 N PHE A 15 -2.786 12.518 9.296 1.00 0.00 N ATOM 204 CA PHE A 15 -3.614 12.477 10.535 1.00 0.00 C ATOM 205 C PHE A 15 -4.853 13.426 10.467 1.00 0.00 C ATOM 206 O PHE A 15 -5.963 12.956 10.720 1.00 0.00 O ATOM 207 CB PHE A 15 -2.705 12.704 11.778 1.00 0.00 C ATOM 208 CG PHE A 15 -3.408 12.560 13.145 1.00 0.00 C ATOM 209 CD1 PHE A 15 -4.002 13.681 13.732 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.488 11.326 13.799 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.671 13.567 14.943 1.00 0.00 C ATOM 212 CE2 PHE A 15 -4.137 11.219 15.026 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.735 12.340 15.597 1.00 0.00 C ATOM 0 H PHE A 15 -1.914 13.036 9.400 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.054 11.485 10.632 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.878 11.995 11.737 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.273 13.702 11.714 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.940 14.641 13.241 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.043 10.451 13.349 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.144 14.434 15.380 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.177 10.267 15.535 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.247 12.257 16.544 1.00 0.00 H new ATOM 223 N GLU A 16 -4.681 14.731 10.159 1.00 0.00 N ATOM 224 CA GLU A 16 -5.800 15.721 10.137 1.00 0.00 C ATOM 225 C GLU A 16 -6.925 15.425 9.092 1.00 0.00 C ATOM 226 O GLU A 16 -8.103 15.448 9.459 1.00 0.00 O ATOM 227 CB GLU A 16 -5.262 17.172 9.964 1.00 0.00 C ATOM 228 CG GLU A 16 -4.311 17.723 11.054 1.00 0.00 C ATOM 229 CD GLU A 16 -4.935 17.879 12.445 1.00 0.00 C ATOM 230 OE1 GLU A 16 -5.804 18.760 12.630 1.00 0.00 O ATOM 231 OE2 GLU A 16 -4.547 17.128 13.365 1.00 0.00 O ATOM 0 H GLU A 16 -3.774 15.133 9.920 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.278 15.619 11.111 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.742 17.225 9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.119 17.842 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.450 17.059 11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.937 18.694 10.730 1.00 0.00 H new ATOM 238 N ALA A 17 -6.566 15.126 7.823 1.00 0.00 N ATOM 239 CA ALA A 17 -7.538 14.709 6.774 1.00 0.00 C ATOM 240 C ALA A 17 -8.271 13.355 7.021 1.00 0.00 C ATOM 241 O ALA A 17 -9.485 13.290 6.813 1.00 0.00 O ATOM 242 CB ALA A 17 -6.818 14.696 5.410 1.00 0.00 C ATOM 0 H ALA A 17 -5.601 15.165 7.494 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.340 15.446 6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.518 14.392 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.440 15.694 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.986 13.992 5.444 1.00 0.00 H new ATOM 248 N PHE A 18 -7.555 12.301 7.462 1.00 0.00 N ATOM 249 CA PHE A 18 -8.152 10.970 7.771 1.00 0.00 C ATOM 250 C PHE A 18 -9.092 10.981 9.012 1.00 0.00 C ATOM 251 O PHE A 18 -10.215 10.485 8.911 1.00 0.00 O ATOM 252 CB PHE A 18 -6.992 9.946 7.914 1.00 0.00 C ATOM 253 CG PHE A 18 -7.384 8.463 8.029 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.694 7.917 9.282 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.358 7.629 6.905 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.982 6.563 9.405 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.632 6.270 7.038 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.950 5.742 8.283 1.00 0.00 C ATOM 0 H PHE A 18 -6.548 12.340 7.616 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.807 10.680 6.949 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.333 10.057 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.411 10.213 8.797 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.709 8.551 10.156 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.125 8.040 5.934 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.230 6.149 10.371 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.597 5.626 6.172 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.173 4.690 8.380 1.00 0.00 H new ATOM 268 N MET A 19 -8.625 11.513 10.159 1.00 0.00 N ATOM 269 CA MET A 19 -9.394 11.534 11.434 1.00 0.00 C ATOM 270 C MET A 19 -10.687 12.402 11.416 1.00 0.00 C ATOM 271 O MET A 19 -11.707 11.960 11.952 1.00 0.00 O ATOM 272 CB MET A 19 -8.479 11.934 12.619 1.00 0.00 C ATOM 273 CG MET A 19 -7.357 10.943 12.972 1.00 0.00 C ATOM 274 SD MET A 19 -8.037 9.317 13.366 1.00 0.00 S ATOM 275 CE MET A 19 -6.581 8.509 14.056 1.00 0.00 C ATOM 0 H MET A 19 -7.703 11.943 10.235 1.00 0.00 H new ATOM 0 HA MET A 19 -9.747 10.511 11.566 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.026 12.899 12.392 1.00 0.00 H new ATOM 0 HB3 MET A 19 -9.103 12.075 13.502 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.663 10.859 12.135 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.787 11.319 13.822 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.835 7.491 14.350 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.790 8.484 13.307 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.237 9.063 14.929 1.00 0.00 H new ATOM 285 N LYS A 20 -10.668 13.594 10.784 1.00 0.00 N ATOM 286 CA LYS A 20 -11.903 14.390 10.537 1.00 0.00 C ATOM 287 C LYS A 20 -12.895 13.766 9.498 1.00 0.00 C ATOM 288 O LYS A 20 -14.107 13.860 9.711 1.00 0.00 O ATOM 289 CB LYS A 20 -11.493 15.847 10.190 1.00 0.00 C ATOM 290 CG LYS A 20 -12.620 16.881 10.403 1.00 0.00 C ATOM 291 CD LYS A 20 -12.147 18.336 10.239 1.00 0.00 C ATOM 292 CE LYS A 20 -13.273 19.346 10.522 1.00 0.00 C ATOM 293 NZ LYS A 20 -12.802 20.732 10.358 1.00 0.00 N ATOM 0 H LYS A 20 -9.816 14.031 10.433 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.489 14.383 11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.635 16.128 10.801 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.170 15.885 9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.423 16.685 9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.039 16.752 11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.313 18.524 10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.774 18.484 9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.108 19.161 9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.646 19.204 11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.583 21.390 10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.021 20.914 11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.469 20.872 9.383 1.00 0.00 H new ATOM 307 N ALA A 21 -12.404 13.121 8.415 1.00 0.00 N ATOM 308 CA ALA A 21 -13.262 12.405 7.429 1.00 0.00 C ATOM 309 C ALA A 21 -14.009 11.140 7.951 1.00 0.00 C ATOM 310 O ALA A 21 -15.185 10.967 7.620 1.00 0.00 O ATOM 311 CB ALA A 21 -12.423 12.067 6.184 1.00 0.00 C ATOM 0 H ALA A 21 -11.409 13.079 8.196 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.070 13.098 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.044 11.543 5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.044 12.987 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.586 11.431 6.471 1.00 0.00 H new ATOM 317 N ILE A 22 -13.359 10.285 8.769 1.00 0.00 N ATOM 318 CA ILE A 22 -14.026 9.137 9.465 1.00 0.00 C ATOM 319 C ILE A 22 -15.122 9.546 10.512 1.00 0.00 C ATOM 320 O ILE A 22 -16.152 8.869 10.586 1.00 0.00 O ATOM 321 CB ILE A 22 -12.990 8.108 10.052 1.00 0.00 C ATOM 322 CG1 ILE A 22 -12.091 8.695 11.183 1.00 0.00 C ATOM 323 CG2 ILE A 22 -12.174 7.416 8.926 1.00 0.00 C ATOM 324 CD1 ILE A 22 -11.050 7.761 11.814 1.00 0.00 C ATOM 0 H ILE A 22 -12.362 10.360 8.972 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.581 8.627 8.677 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.577 7.334 10.546 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.566 9.561 10.781 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.743 9.058 11.977 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.469 6.712 9.368 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.852 6.881 8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.628 8.169 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.497 8.299 12.584 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.554 6.904 12.261 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.358 7.415 11.046 1.00 0.00 H new ATOM 336 N GLY A 23 -14.901 10.621 11.296 1.00 0.00 N ATOM 337 CA GLY A 23 -15.894 11.154 12.256 1.00 0.00 C ATOM 338 C GLY A 23 -15.311 11.342 13.667 1.00 0.00 C ATOM 339 O GLY A 23 -15.694 10.610 14.585 1.00 0.00 O ATOM 0 H GLY A 23 -14.027 11.147 11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.269 12.110 11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.746 10.476 12.306 1.00 0.00 H new ATOM 343 N LEU A 24 -14.419 12.337 13.835 1.00 0.00 N ATOM 344 CA LEU A 24 -13.852 12.712 15.162 1.00 0.00 C ATOM 345 C LEU A 24 -13.903 14.265 15.372 1.00 0.00 C ATOM 346 O LEU A 24 -13.692 15.006 14.404 1.00 0.00 O ATOM 347 CB LEU A 24 -12.392 12.193 15.333 1.00 0.00 C ATOM 348 CG LEU A 24 -12.222 10.659 15.522 1.00 0.00 C ATOM 349 CD1 LEU A 24 -10.753 10.240 15.343 1.00 0.00 C ATOM 350 CD2 LEU A 24 -12.724 10.178 16.896 1.00 0.00 C ATOM 0 H LEU A 24 -14.067 12.906 13.065 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.469 12.234 15.923 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.817 12.495 14.458 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.950 12.695 16.194 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.833 10.187 14.753 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.663 9.162 15.480 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.418 10.507 14.341 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.136 10.753 16.081 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.583 9.100 16.978 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.162 10.678 17.684 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.783 10.414 17.000 1.00 0.00 H new ATOM 362 N PRO A 25 -14.128 14.811 16.610 1.00 0.00 N ATOM 363 CA PRO A 25 -14.125 16.280 16.871 1.00 0.00 C ATOM 364 C PRO A 25 -12.713 16.941 16.822 1.00 0.00 C ATOM 365 O PRO A 25 -11.691 16.255 16.728 1.00 0.00 O ATOM 366 CB PRO A 25 -14.760 16.337 18.279 1.00 0.00 C ATOM 367 CG PRO A 25 -14.362 15.030 18.965 1.00 0.00 C ATOM 368 CD PRO A 25 -14.385 14.011 17.829 1.00 0.00 C ATOM 0 HA PRO A 25 -14.658 16.847 16.108 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.396 17.199 18.838 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.844 16.432 18.216 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.375 15.100 19.421 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.061 14.763 19.758 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.624 13.244 17.968 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.346 13.500 17.773 1.00 0.00 H new ATOM 376 N GLU A 26 -12.669 18.281 16.971 1.00 0.00 N ATOM 377 CA GLU A 26 -11.392 19.021 17.226 1.00 0.00 C ATOM 378 C GLU A 26 -10.997 19.020 18.752 1.00 0.00 C ATOM 379 O GLU A 26 -10.695 20.053 19.357 1.00 0.00 O ATOM 380 CB GLU A 26 -11.543 20.432 16.585 1.00 0.00 C ATOM 381 CG GLU A 26 -10.215 21.191 16.378 1.00 0.00 C ATOM 382 CD GLU A 26 -10.402 22.552 15.705 1.00 0.00 C ATOM 383 OE1 GLU A 26 -10.644 23.552 16.419 1.00 0.00 O ATOM 384 OE2 GLU A 26 -10.308 22.631 14.461 1.00 0.00 O ATOM 0 H GLU A 26 -13.493 18.880 16.921 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.544 18.522 16.757 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.040 20.327 15.621 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.196 21.035 17.216 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.730 21.333 17.344 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.545 20.581 15.772 1.00 0.00 H new ATOM 391 N GLU A 27 -10.984 17.810 19.338 1.00 0.00 N ATOM 392 CA GLU A 27 -10.626 17.535 20.750 1.00 0.00 C ATOM 393 C GLU A 27 -9.833 16.191 20.774 1.00 0.00 C ATOM 394 O GLU A 27 -8.650 16.204 21.119 1.00 0.00 O ATOM 395 CB GLU A 27 -11.908 17.567 21.631 1.00 0.00 C ATOM 396 CG GLU A 27 -11.661 17.335 23.134 1.00 0.00 C ATOM 397 CD GLU A 27 -12.947 17.379 23.962 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.639 16.341 24.058 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.271 18.450 24.522 1.00 0.00 O ATOM 0 H GLU A 27 -11.231 16.962 18.827 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.977 18.297 21.182 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.397 18.532 21.502 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.601 16.807 21.269 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.178 16.368 23.273 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.970 18.092 23.505 1.00 0.00 H new ATOM 406 N LEU A 28 -10.450 15.055 20.363 1.00 0.00 N ATOM 407 CA LEU A 28 -9.725 13.781 20.072 1.00 0.00 C ATOM 408 C LEU A 28 -8.659 13.848 18.926 1.00 0.00 C ATOM 409 O LEU A 28 -7.625 13.182 19.035 1.00 0.00 O ATOM 410 CB LEU A 28 -10.751 12.639 19.817 1.00 0.00 C ATOM 411 CG LEU A 28 -11.658 12.214 21.012 1.00 0.00 C ATOM 412 CD1 LEU A 28 -12.743 11.221 20.552 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.873 11.601 22.191 1.00 0.00 C ATOM 0 H LEU A 28 -11.458 14.990 20.223 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.134 13.575 20.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.398 12.944 18.994 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.201 11.760 19.481 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.120 13.133 21.372 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.363 10.939 21.403 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.365 11.689 19.789 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.270 10.331 20.138 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.566 11.328 22.987 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.342 10.712 21.851 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.156 12.330 22.569 1.00 0.00 H new ATOM 425 N ILE A 29 -8.866 14.678 17.879 1.00 0.00 N ATOM 426 CA ILE A 29 -7.802 15.065 16.900 1.00 0.00 C ATOM 427 C ILE A 29 -6.629 15.829 17.614 1.00 0.00 C ATOM 428 O ILE A 29 -5.485 15.374 17.539 1.00 0.00 O ATOM 429 CB ILE A 29 -8.425 15.836 15.673 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.457 14.977 14.876 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.357 16.378 14.686 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.316 15.732 13.849 1.00 0.00 C ATOM 0 H ILE A 29 -9.772 15.103 17.681 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.350 14.164 16.484 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.943 16.682 16.125 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.916 14.186 14.356 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.123 14.492 15.589 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.851 16.898 13.865 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.697 17.070 15.209 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.772 15.547 14.290 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.994 15.034 13.358 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.895 16.504 14.356 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.669 16.194 13.103 1.00 0.00 H new ATOM 444 N GLN A 30 -6.902 16.955 18.304 1.00 0.00 N ATOM 445 CA GLN A 30 -5.846 17.796 18.945 1.00 0.00 C ATOM 446 C GLN A 30 -4.949 17.145 20.051 1.00 0.00 C ATOM 447 O GLN A 30 -3.837 17.630 20.282 1.00 0.00 O ATOM 448 CB GLN A 30 -6.461 19.128 19.470 1.00 0.00 C ATOM 449 CG GLN A 30 -7.251 20.009 18.468 1.00 0.00 C ATOM 450 CD GLN A 30 -6.436 20.562 17.286 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.598 21.449 17.446 1.00 0.00 O ATOM 452 NE2 GLN A 30 -6.666 20.063 16.080 1.00 0.00 N ATOM 0 H GLN A 30 -7.848 17.312 18.437 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.143 17.960 18.128 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.127 18.885 20.298 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.651 19.732 19.879 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.081 19.423 18.072 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.684 20.848 19.012 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.362 19.328 15.956 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.147 20.414 15.275 1.00 0.00 H new ATOM 461 N LYS A 31 -5.396 16.049 20.693 1.00 0.00 N ATOM 462 CA LYS A 31 -4.580 15.250 21.651 1.00 0.00 C ATOM 463 C LYS A 31 -3.379 14.498 21.000 1.00 0.00 C ATOM 464 O LYS A 31 -2.246 14.669 21.463 1.00 0.00 O ATOM 465 CB LYS A 31 -5.529 14.274 22.406 1.00 0.00 C ATOM 466 CG LYS A 31 -6.478 14.963 23.412 1.00 0.00 C ATOM 467 CD LYS A 31 -7.659 14.079 23.859 1.00 0.00 C ATOM 468 CE LYS A 31 -8.707 14.789 24.737 1.00 0.00 C ATOM 469 NZ LYS A 31 -8.213 15.145 26.081 1.00 0.00 N ATOM 0 H LYS A 31 -6.340 15.683 20.566 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.111 15.945 22.348 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.126 13.729 21.676 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.926 13.538 22.938 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.906 15.261 24.291 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.869 15.875 22.962 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.156 13.687 22.972 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.266 13.224 24.409 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.039 15.695 24.230 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.579 14.143 24.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.940 15.692 26.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.002 14.277 26.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.348 15.716 25.993 1.00 0.00 H new ATOM 483 N GLY A 32 -3.623 13.688 19.951 1.00 0.00 N ATOM 484 CA GLY A 32 -2.549 12.929 19.256 1.00 0.00 C ATOM 485 C GLY A 32 -2.080 13.429 17.866 1.00 0.00 C ATOM 486 O GLY A 32 -1.614 12.603 17.075 1.00 0.00 O ATOM 0 H GLY A 32 -4.554 13.538 19.561 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.679 12.906 19.912 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.889 11.900 19.142 1.00 0.00 H new ATOM 490 N LYS A 33 -2.136 14.747 17.582 1.00 0.00 N ATOM 491 CA LYS A 33 -1.544 15.345 16.350 1.00 0.00 C ATOM 492 C LYS A 33 -0.002 15.544 16.468 1.00 0.00 C ATOM 493 O LYS A 33 0.753 14.926 15.712 1.00 0.00 O ATOM 494 CB LYS A 33 -2.333 16.602 15.877 1.00 0.00 C ATOM 495 CG LYS A 33 -2.413 17.825 16.828 1.00 0.00 C ATOM 496 CD LYS A 33 -3.200 19.034 16.276 1.00 0.00 C ATOM 497 CE LYS A 33 -2.426 20.015 15.371 1.00 0.00 C ATOM 498 NZ LYS A 33 -2.159 19.506 14.014 1.00 0.00 N ATOM 0 H LYS A 33 -2.588 15.429 18.191 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.660 14.623 15.542 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.890 16.939 14.940 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.353 16.289 15.653 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.873 17.508 17.764 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.399 18.148 17.065 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.054 18.655 15.714 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.598 19.595 17.122 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.992 20.943 15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.477 20.259 15.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.371 20.248 13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.158 19.233 13.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.759 18.677 13.830 1.00 0.00 H new ATOM 512 N ASP A 34 0.449 16.376 17.426 1.00 0.00 N ATOM 513 CA ASP A 34 1.891 16.602 17.724 1.00 0.00 C ATOM 514 C ASP A 34 2.509 15.574 18.720 1.00 0.00 C ATOM 515 O ASP A 34 3.699 15.275 18.579 1.00 0.00 O ATOM 516 CB ASP A 34 2.110 18.049 18.250 1.00 0.00 C ATOM 517 CG ASP A 34 1.840 19.170 17.234 1.00 0.00 C ATOM 518 OD1 ASP A 34 2.640 19.335 16.286 1.00 0.00 O ATOM 519 OD2 ASP A 34 0.826 19.888 17.380 1.00 0.00 O ATOM 0 H ASP A 34 -0.175 16.918 18.024 1.00 0.00 H new ATOM 0 HA ASP A 34 2.415 16.457 16.779 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.466 18.204 19.115 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.139 18.138 18.599 1.00 0.00 H new ATOM 524 N ILE A 35 1.747 15.039 19.707 1.00 0.00 N ATOM 525 CA ILE A 35 2.260 14.038 20.685 1.00 0.00 C ATOM 526 C ILE A 35 2.193 12.656 19.964 1.00 0.00 C ATOM 527 O ILE A 35 1.112 12.106 19.732 1.00 0.00 O ATOM 528 CB ILE A 35 1.500 14.075 22.062 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.498 15.489 22.728 1.00 0.00 C ATOM 530 CG2 ILE A 35 2.098 13.036 23.051 1.00 0.00 C ATOM 531 CD1 ILE A 35 0.546 15.678 23.920 1.00 0.00 C ATOM 0 H ILE A 35 0.767 15.285 19.849 1.00 0.00 H new ATOM 0 HA ILE A 35 3.287 14.263 20.972 1.00 0.00 H new ATOM 0 HB ILE A 35 0.464 13.821 21.838 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.512 15.712 23.061 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.243 16.226 21.966 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.557 13.080 23.996 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.007 12.036 22.627 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.150 13.263 23.225 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.633 16.697 24.297 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.480 15.496 23.599 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.809 14.975 24.710 1.00 0.00 H new ATOM 543 N LYS A 36 3.378 12.139 19.600 1.00 0.00 N ATOM 544 CA LYS A 36 3.515 10.918 18.766 1.00 0.00 C ATOM 545 C LYS A 36 3.589 9.678 19.697 1.00 0.00 C ATOM 546 O LYS A 36 4.455 9.596 20.575 1.00 0.00 O ATOM 547 CB LYS A 36 4.770 11.050 17.863 1.00 0.00 C ATOM 548 CG LYS A 36 4.609 12.053 16.697 1.00 0.00 C ATOM 549 CD LYS A 36 5.866 12.195 15.816 1.00 0.00 C ATOM 550 CE LYS A 36 5.763 13.280 14.726 1.00 0.00 C ATOM 551 NZ LYS A 36 4.846 12.918 13.628 1.00 0.00 N ATOM 0 H LYS A 36 4.271 12.550 19.872 1.00 0.00 H new ATOM 0 HA LYS A 36 2.652 10.795 18.112 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.616 11.358 18.478 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.014 10.070 17.453 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.773 11.737 16.072 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.351 13.030 17.105 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.719 12.420 16.456 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.070 11.237 15.339 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.425 14.211 15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.755 13.468 14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.821 13.687 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.179 12.045 13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.891 12.766 14.010 1.00 0.00 H new ATOM 565 N GLY A 37 2.644 8.741 19.511 1.00 0.00 N ATOM 566 CA GLY A 37 2.432 7.632 20.464 1.00 0.00 C ATOM 567 C GLY A 37 3.282 6.370 20.233 1.00 0.00 C ATOM 568 O GLY A 37 3.718 6.073 19.116 1.00 0.00 O ATOM 0 H GLY A 37 2.013 8.727 18.710 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.632 8.001 21.470 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.380 7.348 20.432 1.00 0.00 H new ATOM 572 N VAL A 38 3.477 5.616 21.326 1.00 0.00 N ATOM 573 CA VAL A 38 4.304 4.379 21.324 1.00 0.00 C ATOM 574 C VAL A 38 3.336 3.177 21.124 1.00 0.00 C ATOM 575 O VAL A 38 2.569 2.830 22.029 1.00 0.00 O ATOM 576 CB VAL A 38 5.170 4.251 22.626 1.00 0.00 C ATOM 577 CG1 VAL A 38 6.032 2.965 22.647 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.124 5.443 22.868 1.00 0.00 C ATOM 0 H VAL A 38 3.072 5.837 22.236 1.00 0.00 H new ATOM 0 HA VAL A 38 5.029 4.405 20.510 1.00 0.00 H new ATOM 0 HB VAL A 38 4.423 4.224 23.419 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.610 2.929 23.571 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.383 2.091 22.591 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.711 2.968 21.794 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.687 5.278 23.787 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.816 5.531 22.030 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.544 6.361 22.958 1.00 0.00 H new ATOM 588 N SER A 39 3.438 2.520 19.954 1.00 0.00 N ATOM 589 CA SER A 39 2.759 1.230 19.684 1.00 0.00 C ATOM 590 C SER A 39 3.628 0.070 20.238 1.00 0.00 C ATOM 591 O SER A 39 4.609 -0.347 19.612 1.00 0.00 O ATOM 592 CB SER A 39 2.528 1.083 18.164 1.00 0.00 C ATOM 593 OG SER A 39 1.676 -0.025 17.890 1.00 0.00 O ATOM 0 H SER A 39 3.991 2.863 19.169 1.00 0.00 H new ATOM 0 HA SER A 39 1.789 1.199 20.181 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.084 1.996 17.768 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.483 0.948 17.657 1.00 0.00 H new ATOM 0 HG SER A 39 1.540 -0.101 16.923 1.00 0.00 H new ATOM 599 N GLU A 40 3.261 -0.422 21.431 1.00 0.00 N ATOM 600 CA GLU A 40 4.025 -1.488 22.129 1.00 0.00 C ATOM 601 C GLU A 40 3.376 -2.855 21.786 1.00 0.00 C ATOM 602 O GLU A 40 2.422 -3.285 22.443 1.00 0.00 O ATOM 603 CB GLU A 40 4.088 -1.160 23.644 1.00 0.00 C ATOM 604 CG GLU A 40 5.037 -2.079 24.446 1.00 0.00 C ATOM 605 CD GLU A 40 5.103 -1.706 25.928 1.00 0.00 C ATOM 606 OE1 GLU A 40 5.957 -0.874 26.306 1.00 0.00 O ATOM 607 OE2 GLU A 40 4.298 -2.242 26.722 1.00 0.00 O ATOM 0 H GLU A 40 2.438 -0.102 21.941 1.00 0.00 H new ATOM 0 HA GLU A 40 5.062 -1.544 21.797 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.409 -0.126 23.769 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.085 -1.235 24.064 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.704 -3.112 24.350 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.037 -2.025 24.017 1.00 0.00 H new ATOM 614 N ILE A 41 3.902 -3.514 20.736 1.00 0.00 N ATOM 615 CA ILE A 41 3.308 -4.760 20.179 1.00 0.00 C ATOM 616 C ILE A 41 3.986 -5.951 20.915 1.00 0.00 C ATOM 617 O ILE A 41 5.207 -6.125 20.842 1.00 0.00 O ATOM 618 CB ILE A 41 3.440 -4.860 18.615 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.895 -3.622 17.844 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.760 -6.151 18.073 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.311 -3.532 16.372 1.00 0.00 C ATOM 0 H ILE A 41 4.744 -3.207 20.248 1.00 0.00 H new ATOM 0 HA ILE A 41 2.232 -4.769 20.351 1.00 0.00 H new ATOM 0 HB ILE A 41 4.513 -4.896 18.429 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.806 -3.632 17.897 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.231 -2.720 18.355 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.868 -6.192 16.989 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.234 -7.026 18.518 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.701 -6.141 18.332 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.880 -2.635 15.926 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.398 -3.485 16.303 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.951 -4.411 15.838 1.00 0.00 H new ATOM 633 N VAL A 42 3.161 -6.773 21.583 1.00 0.00 N ATOM 634 CA VAL A 42 3.609 -8.051 22.201 1.00 0.00 C ATOM 635 C VAL A 42 3.126 -9.180 21.240 1.00 0.00 C ATOM 636 O VAL A 42 1.956 -9.580 21.267 1.00 0.00 O ATOM 637 CB VAL A 42 3.098 -8.188 23.678 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.505 -9.530 24.332 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.584 -7.045 24.603 1.00 0.00 C ATOM 0 H VAL A 42 2.168 -6.580 21.715 1.00 0.00 H new ATOM 0 HA VAL A 42 4.693 -8.106 22.305 1.00 0.00 H new ATOM 0 HB VAL A 42 2.013 -8.138 23.584 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.124 -9.568 25.352 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.087 -10.356 23.758 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.592 -9.612 24.347 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.195 -7.201 25.609 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.674 -7.039 24.632 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.226 -6.090 24.220 1.00 0.00 H new ATOM 649 N GLN A 43 4.062 -9.700 20.421 1.00 0.00 N ATOM 650 CA GLN A 43 3.845 -10.933 19.619 1.00 0.00 C ATOM 651 C GLN A 43 4.189 -12.152 20.522 1.00 0.00 C ATOM 652 O GLN A 43 5.360 -12.405 20.828 1.00 0.00 O ATOM 653 CB GLN A 43 4.716 -10.871 18.333 1.00 0.00 C ATOM 654 CG GLN A 43 4.583 -12.083 17.377 1.00 0.00 C ATOM 655 CD GLN A 43 5.616 -12.082 16.234 1.00 0.00 C ATOM 656 OE1 GLN A 43 6.825 -12.044 16.462 1.00 0.00 O ATOM 657 NE2 GLN A 43 5.177 -12.150 14.988 1.00 0.00 N ATOM 0 H GLN A 43 4.985 -9.285 20.293 1.00 0.00 H new ATOM 0 HA GLN A 43 2.810 -11.028 19.292 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.456 -9.967 17.783 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.761 -10.776 18.628 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.691 -13.003 17.952 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.580 -12.090 16.950 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.175 -12.181 14.801 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.841 -12.171 14.214 1.00 0.00 H new ATOM 666 N ASN A 44 3.147 -12.896 20.929 1.00 0.00 N ATOM 667 CA ASN A 44 3.295 -14.120 21.763 1.00 0.00 C ATOM 668 C ASN A 44 3.601 -15.359 20.867 1.00 0.00 C ATOM 669 O ASN A 44 4.711 -15.897 20.920 1.00 0.00 O ATOM 670 CB ASN A 44 2.070 -14.318 22.707 1.00 0.00 C ATOM 671 CG ASN A 44 1.853 -13.221 23.771 1.00 0.00 C ATOM 672 OD1 ASN A 44 2.621 -13.096 24.725 1.00 0.00 O ATOM 673 ND2 ASN A 44 0.810 -12.415 23.636 1.00 0.00 N ATOM 0 H ASN A 44 2.179 -12.675 20.695 1.00 0.00 H new ATOM 0 HA ASN A 44 4.154 -13.996 22.423 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.171 -14.385 22.094 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.180 -15.275 23.217 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.638 -11.684 24.326 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.179 -12.526 22.842 1.00 0.00 H new ATOM 680 N GLY A 45 2.629 -15.774 20.041 1.00 0.00 N ATOM 681 CA GLY A 45 2.806 -16.852 19.047 1.00 0.00 C ATOM 682 C GLY A 45 1.451 -17.060 18.354 1.00 0.00 C ATOM 683 O GLY A 45 0.627 -17.837 18.845 1.00 0.00 O ATOM 0 H GLY A 45 1.692 -15.371 20.041 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.572 -16.583 18.320 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.135 -17.771 19.531 1.00 0.00 H new ATOM 687 N LYS A 46 1.195 -16.290 17.275 1.00 0.00 N ATOM 688 CA LYS A 46 -0.163 -16.110 16.682 1.00 0.00 C ATOM 689 C LYS A 46 -1.242 -15.343 17.523 1.00 0.00 C ATOM 690 O LYS A 46 -2.196 -14.845 16.921 1.00 0.00 O ATOM 691 CB LYS A 46 -0.708 -17.382 15.976 1.00 0.00 C ATOM 692 CG LYS A 46 0.210 -17.899 14.846 1.00 0.00 C ATOM 693 CD LYS A 46 -0.401 -19.020 13.988 1.00 0.00 C ATOM 694 CE LYS A 46 0.492 -19.413 12.794 1.00 0.00 C ATOM 695 NZ LYS A 46 1.673 -20.210 13.177 1.00 0.00 N ATOM 0 H LYS A 46 1.922 -15.770 16.783 1.00 0.00 H new ATOM 0 HA LYS A 46 0.047 -15.377 15.903 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.840 -18.171 16.716 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.693 -17.165 15.563 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.471 -17.063 14.197 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.138 -18.262 15.287 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.572 -19.897 14.612 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.374 -18.698 13.617 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.102 -19.981 12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.824 -18.508 12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.228 -20.439 12.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.261 -19.663 13.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.364 -21.090 13.636 1.00 0.00 H new ATOM 709 N HIS A 47 -1.102 -15.192 18.860 1.00 0.00 N ATOM 710 CA HIS A 47 -1.932 -14.262 19.666 1.00 0.00 C ATOM 711 C HIS A 47 -1.151 -12.923 19.822 1.00 0.00 C ATOM 712 O HIS A 47 -0.043 -12.883 20.367 1.00 0.00 O ATOM 713 CB HIS A 47 -2.300 -14.902 21.035 1.00 0.00 C ATOM 714 CG HIS A 47 -3.520 -14.259 21.707 1.00 0.00 C ATOM 715 ND1 HIS A 47 -3.553 -12.986 22.254 1.00 0.00 N ATOM 716 CD2 HIS A 47 -4.808 -14.824 21.745 1.00 0.00 C ATOM 717 CE1 HIS A 47 -4.889 -12.888 22.537 1.00 0.00 C ATOM 718 NE2 HIS A 47 -5.732 -13.941 22.288 1.00 0.00 N ATOM 0 H HIS A 47 -0.415 -15.708 19.410 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.878 -14.057 19.164 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.494 -15.965 20.889 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.444 -14.824 21.705 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.047 -15.818 21.396 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.282 -11.975 22.959 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.733 -14.044 22.452 1.00 0.00 H new ATOM 726 N PHE A 48 -1.761 -11.843 19.321 1.00 0.00 N ATOM 727 CA PHE A 48 -1.152 -10.486 19.279 1.00 0.00 C ATOM 728 C PHE A 48 -1.967 -9.487 20.149 1.00 0.00 C ATOM 729 O PHE A 48 -3.186 -9.605 20.320 1.00 0.00 O ATOM 730 CB PHE A 48 -1.111 -9.968 17.815 1.00 0.00 C ATOM 731 CG PHE A 48 -0.063 -10.562 16.856 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.240 -11.833 16.297 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.988 -9.757 16.402 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.621 -12.291 15.302 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.827 -10.207 15.389 1.00 0.00 C ATOM 736 CZ PHE A 48 1.645 -11.471 14.839 1.00 0.00 C ATOM 0 H PHE A 48 -2.701 -11.875 18.927 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.139 -10.557 19.675 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.095 -10.135 17.376 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.956 -8.890 17.849 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.049 -12.462 16.639 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.148 -8.783 16.840 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.494 -13.281 14.891 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.623 -9.573 15.028 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.299 -11.816 14.052 1.00 0.00 H new ATOM 746 N LYS A 49 -1.261 -8.454 20.645 1.00 0.00 N ATOM 747 CA LYS A 49 -1.884 -7.283 21.319 1.00 0.00 C ATOM 748 C LYS A 49 -0.974 -6.026 21.193 1.00 0.00 C ATOM 749 O LYS A 49 0.255 -6.130 21.147 1.00 0.00 O ATOM 750 CB LYS A 49 -2.276 -7.582 22.793 1.00 0.00 C ATOM 751 CG LYS A 49 -1.132 -7.934 23.772 1.00 0.00 C ATOM 752 CD LYS A 49 -1.641 -8.107 25.215 1.00 0.00 C ATOM 753 CE LYS A 49 -0.569 -8.551 26.230 1.00 0.00 C ATOM 754 NZ LYS A 49 0.398 -7.484 26.553 1.00 0.00 N ATOM 0 H LYS A 49 -0.244 -8.401 20.594 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.820 -7.069 20.803 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.801 -6.711 23.186 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.986 -8.409 22.792 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.646 -8.854 23.446 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.377 -7.148 23.745 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.069 -7.162 25.550 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.447 -8.840 25.215 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.059 -8.879 27.147 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.032 -9.411 25.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.093 -7.841 27.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.889 -7.186 25.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.106 -6.671 26.962 1.00 0.00 H new ATOM 768 N PHE A 50 -1.593 -4.831 21.183 1.00 0.00 N ATOM 769 CA PHE A 50 -0.867 -3.533 21.218 1.00 0.00 C ATOM 770 C PHE A 50 -1.712 -2.422 21.900 1.00 0.00 C ATOM 771 O PHE A 50 -2.945 -2.433 21.845 1.00 0.00 O ATOM 772 CB PHE A 50 -0.349 -3.097 19.818 1.00 0.00 C ATOM 773 CG PHE A 50 -1.347 -2.743 18.697 1.00 0.00 C ATOM 774 CD1 PHE A 50 -1.890 -1.457 18.614 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.658 -3.681 17.707 1.00 0.00 C ATOM 776 CE1 PHE A 50 -2.732 -1.115 17.559 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.502 -3.338 16.653 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.040 -2.056 16.581 1.00 0.00 C ATOM 0 H PHE A 50 -2.608 -4.730 21.151 1.00 0.00 H new ATOM 0 HA PHE A 50 0.019 -3.689 21.833 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.291 -2.228 19.967 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.286 -3.900 19.444 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.655 -0.725 19.372 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.242 -4.676 17.760 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.146 -0.119 17.500 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.739 -4.067 15.892 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.697 -1.792 15.766 1.00 0.00 H new ATOM 788 N THR A 51 -1.025 -1.425 22.490 1.00 0.00 N ATOM 789 CA THR A 51 -1.679 -0.198 23.023 1.00 0.00 C ATOM 790 C THR A 51 -0.859 1.024 22.523 1.00 0.00 C ATOM 791 O THR A 51 0.326 1.162 22.844 1.00 0.00 O ATOM 792 CB THR A 51 -1.830 -0.249 24.573 1.00 0.00 C ATOM 793 OG1 THR A 51 -2.520 -1.435 24.958 1.00 0.00 O ATOM 794 CG2 THR A 51 -2.615 0.937 25.162 1.00 0.00 C ATOM 0 H THR A 51 -0.013 -1.439 22.613 1.00 0.00 H new ATOM 0 HA THR A 51 -2.701 -0.115 22.653 1.00 0.00 H new ATOM 0 HB THR A 51 -0.812 -0.216 24.961 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.609 -1.460 25.934 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.677 0.830 26.245 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.104 1.868 24.918 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.620 0.953 24.740 1.00 0.00 H new ATOM 802 N ILE A 52 -1.524 1.920 21.765 1.00 0.00 N ATOM 803 CA ILE A 52 -0.908 3.179 21.248 1.00 0.00 C ATOM 804 C ILE A 52 -1.206 4.282 22.306 1.00 0.00 C ATOM 805 O ILE A 52 -2.364 4.668 22.502 1.00 0.00 O ATOM 806 CB ILE A 52 -1.405 3.520 19.796 1.00 0.00 C ATOM 807 CG1 ILE A 52 -0.974 2.430 18.770 1.00 0.00 C ATOM 808 CG2 ILE A 52 -0.899 4.906 19.305 1.00 0.00 C ATOM 809 CD1 ILE A 52 -1.701 2.425 17.419 1.00 0.00 C ATOM 0 H ILE A 52 -2.499 1.801 21.490 1.00 0.00 H new ATOM 0 HA ILE A 52 0.171 3.082 21.128 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.493 3.550 19.856 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.093 2.545 18.581 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.112 1.453 19.234 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.270 5.093 18.297 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.262 5.685 19.976 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.191 4.914 19.297 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.309 1.620 16.798 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.768 2.272 17.581 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.544 3.380 16.918 1.00 0.00 H new ATOM 821 N THR A 53 -0.138 4.772 22.965 1.00 0.00 N ATOM 822 CA THR A 53 -0.253 5.767 24.065 1.00 0.00 C ATOM 823 C THR A 53 0.272 7.139 23.543 1.00 0.00 C ATOM 824 O THR A 53 1.465 7.435 23.660 1.00 0.00 O ATOM 825 CB THR A 53 0.463 5.243 25.347 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.021 3.946 25.693 1.00 0.00 O ATOM 827 CG2 THR A 53 0.247 6.139 26.581 1.00 0.00 C ATOM 0 H THR A 53 0.822 4.497 22.758 1.00 0.00 H new ATOM 0 HA THR A 53 -1.291 5.915 24.364 1.00 0.00 H new ATOM 0 HB THR A 53 1.524 5.233 25.097 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.439 3.629 26.498 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.773 5.714 27.436 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.633 7.138 26.377 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.818 6.200 26.804 1.00 0.00 H new ATOM 835 N ALA A 54 -0.636 7.970 22.984 1.00 0.00 N ATOM 836 CA ALA A 54 -0.295 9.319 22.454 1.00 0.00 C ATOM 837 C ALA A 54 -0.482 10.400 23.557 1.00 0.00 C ATOM 838 O ALA A 54 0.190 10.326 24.592 1.00 0.00 O ATOM 839 CB ALA A 54 -1.006 9.493 21.089 1.00 0.00 C ATOM 0 H ALA A 54 -1.623 7.730 22.886 1.00 0.00 H new ATOM 0 HA ALA A 54 0.760 9.448 22.214 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.772 10.475 20.679 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.664 8.721 20.400 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.084 9.405 21.226 1.00 0.00 H new ATOM 845 N GLY A 55 -1.355 11.397 23.343 1.00 0.00 N ATOM 846 CA GLY A 55 -1.605 12.487 24.320 1.00 0.00 C ATOM 847 C GLY A 55 -2.456 12.029 25.520 1.00 0.00 C ATOM 848 O GLY A 55 -1.917 11.429 26.456 1.00 0.00 O ATOM 0 H GLY A 55 -1.910 11.477 22.491 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.651 12.870 24.682 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.109 13.312 23.816 1.00 0.00 H new ATOM 852 N SER A 56 -3.777 12.263 25.454 1.00 0.00 N ATOM 853 CA SER A 56 -4.758 11.500 26.275 1.00 0.00 C ATOM 854 C SER A 56 -5.507 10.525 25.331 1.00 0.00 C ATOM 855 O SER A 56 -6.638 10.773 24.899 1.00 0.00 O ATOM 856 CB SER A 56 -5.674 12.476 27.035 1.00 0.00 C ATOM 857 OG SER A 56 -6.608 11.779 27.851 1.00 0.00 O ATOM 0 H SER A 56 -4.198 12.967 24.848 1.00 0.00 H new ATOM 0 HA SER A 56 -4.273 10.902 27.046 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.069 13.138 27.655 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.208 13.106 26.323 1.00 0.00 H new ATOM 0 HG SER A 56 -7.175 12.424 28.323 1.00 0.00 H new ATOM 863 N LYS A 57 -4.819 9.421 24.993 1.00 0.00 N ATOM 864 CA LYS A 57 -5.263 8.473 23.947 1.00 0.00 C ATOM 865 C LYS A 57 -4.693 7.094 24.349 1.00 0.00 C ATOM 866 O LYS A 57 -3.485 6.868 24.249 1.00 0.00 O ATOM 867 CB LYS A 57 -4.751 8.899 22.537 1.00 0.00 C ATOM 868 CG LYS A 57 -5.653 9.852 21.722 1.00 0.00 C ATOM 869 CD LYS A 57 -6.879 9.149 21.106 1.00 0.00 C ATOM 870 CE LYS A 57 -7.674 10.051 20.149 1.00 0.00 C ATOM 871 NZ LYS A 57 -8.787 9.316 19.522 1.00 0.00 N ATOM 0 H LYS A 57 -3.939 9.157 25.435 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.351 8.450 23.879 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.778 9.375 22.659 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.592 7.996 21.947 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.993 10.661 22.368 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.064 10.306 20.925 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.548 8.261 20.568 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.536 8.810 21.907 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.064 10.910 20.695 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.011 10.439 19.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.253 9.925 18.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.420 8.464 19.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.475 9.040 20.251 1.00 0.00 H new ATOM 885 N VAL A 58 -5.568 6.182 24.808 1.00 0.00 N ATOM 886 CA VAL A 58 -5.170 4.802 25.210 1.00 0.00 C ATOM 887 C VAL A 58 -6.122 3.870 24.405 1.00 0.00 C ATOM 888 O VAL A 58 -7.251 3.609 24.835 1.00 0.00 O ATOM 889 CB VAL A 58 -5.222 4.615 26.771 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.882 3.176 27.219 1.00 0.00 C ATOM 891 CG2 VAL A 58 -4.281 5.575 27.542 1.00 0.00 C ATOM 0 H VAL A 58 -6.565 6.369 24.914 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.132 4.566 24.976 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.258 4.847 27.018 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.935 3.111 28.306 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.596 2.480 26.779 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.875 2.921 26.889 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.369 5.389 28.612 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.251 5.405 27.228 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.560 6.607 27.329 1.00 0.00 H new ATOM 901 N ILE A 59 -5.657 3.392 23.231 1.00 0.00 N ATOM 902 CA ILE A 59 -6.482 2.554 22.311 1.00 0.00 C ATOM 903 C ILE A 59 -5.936 1.104 22.466 1.00 0.00 C ATOM 904 O ILE A 59 -4.902 0.755 21.887 1.00 0.00 O ATOM 905 CB ILE A 59 -6.479 3.089 20.830 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.951 4.573 20.700 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.357 2.191 19.917 1.00 0.00 C ATOM 908 CD1 ILE A 59 -6.784 5.219 19.312 1.00 0.00 C ATOM 0 H ILE A 59 -4.712 3.569 22.890 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.539 2.589 22.574 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.438 3.051 20.508 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.004 4.623 20.977 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.401 5.172 21.426 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.340 2.580 18.899 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.966 1.173 19.923 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.382 2.188 20.287 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.145 6.247 19.343 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.731 5.213 19.032 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.358 4.655 18.577 1.00 0.00 H new ATOM 920 N GLN A 60 -6.655 0.275 23.247 1.00 0.00 N ATOM 921 CA GLN A 60 -6.236 -1.116 23.563 1.00 0.00 C ATOM 922 C GLN A 60 -6.810 -2.096 22.505 1.00 0.00 C ATOM 923 O GLN A 60 -8.024 -2.198 22.309 1.00 0.00 O ATOM 924 CB GLN A 60 -6.692 -1.501 24.996 1.00 0.00 C ATOM 925 CG GLN A 60 -5.863 -0.845 26.124 1.00 0.00 C ATOM 926 CD GLN A 60 -6.465 -1.050 27.522 1.00 0.00 C ATOM 927 OE1 GLN A 60 -7.289 -0.261 27.983 1.00 0.00 O ATOM 928 NE2 GLN A 60 -6.070 -2.103 28.222 1.00 0.00 N ATOM 0 H GLN A 60 -7.540 0.543 23.678 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.148 -1.181 23.530 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.738 -1.221 25.120 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.637 -2.584 25.104 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.853 -1.255 26.108 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.777 0.224 25.927 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.386 -2.750 27.829 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.450 -2.267 29.154 1.00 0.00 H new ATOM 937 N ASN A 61 -5.896 -2.798 21.823 1.00 0.00 N ATOM 938 CA ASN A 61 -6.209 -3.637 20.637 1.00 0.00 C ATOM 939 C ASN A 61 -5.742 -5.091 20.911 1.00 0.00 C ATOM 940 O ASN A 61 -4.653 -5.321 21.446 1.00 0.00 O ATOM 941 CB ASN A 61 -5.490 -3.056 19.387 1.00 0.00 C ATOM 942 CG ASN A 61 -5.983 -1.666 18.933 1.00 0.00 C ATOM 943 OD1 ASN A 61 -5.383 -0.646 19.263 1.00 0.00 O ATOM 944 ND2 ASN A 61 -7.078 -1.592 18.196 1.00 0.00 N ATOM 0 H ASN A 61 -4.907 -2.806 22.073 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.283 -3.638 20.449 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.422 -2.994 19.598 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -5.612 -3.755 18.560 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.431 -0.683 17.897 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.570 -2.444 17.927 1.00 0.00 H new ATOM 951 N GLU A 62 -6.583 -6.070 20.529 1.00 0.00 N ATOM 952 CA GLU A 62 -6.271 -7.516 20.678 1.00 0.00 C ATOM 953 C GLU A 62 -6.768 -8.230 19.396 1.00 0.00 C ATOM 954 O GLU A 62 -7.942 -8.117 19.021 1.00 0.00 O ATOM 955 CB GLU A 62 -6.925 -8.152 21.936 1.00 0.00 C ATOM 956 CG GLU A 62 -6.341 -7.679 23.285 1.00 0.00 C ATOM 957 CD GLU A 62 -6.886 -8.465 24.479 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.926 -8.061 25.046 1.00 0.00 O ATOM 959 OE2 GLU A 62 -6.277 -9.491 24.857 1.00 0.00 O ATOM 0 H GLU A 62 -7.495 -5.889 20.110 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.195 -7.632 20.812 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.993 -7.932 21.922 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.822 -9.235 21.872 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.256 -7.775 23.259 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.564 -6.621 23.421 1.00 0.00 H new ATOM 966 N PHE A 63 -5.861 -8.979 18.743 1.00 0.00 N ATOM 967 CA PHE A 63 -6.193 -9.771 17.530 1.00 0.00 C ATOM 968 C PHE A 63 -5.458 -11.133 17.542 1.00 0.00 C ATOM 969 O PHE A 63 -4.281 -11.213 17.899 1.00 0.00 O ATOM 970 CB PHE A 63 -5.974 -8.980 16.209 1.00 0.00 C ATOM 971 CG PHE A 63 -4.530 -8.603 15.826 1.00 0.00 C ATOM 972 CD1 PHE A 63 -3.931 -7.450 16.349 1.00 0.00 C ATOM 973 CD2 PHE A 63 -3.796 -9.425 14.963 1.00 0.00 C ATOM 974 CE1 PHE A 63 -2.624 -7.125 16.004 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.491 -9.089 14.616 1.00 0.00 C ATOM 976 CZ PHE A 63 -1.908 -7.938 15.134 1.00 0.00 C ATOM 0 H PHE A 63 -4.886 -9.057 19.032 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.263 -9.977 17.562 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.394 -9.569 15.393 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.555 -8.060 16.270 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.485 -6.812 17.022 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.244 -10.323 14.565 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.164 -6.238 16.413 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.931 -9.722 13.944 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.897 -7.675 14.860 1.00 0.00 H new ATOM 986 N THR A 64 -6.153 -12.189 17.090 1.00 0.00 N ATOM 987 CA THR A 64 -5.557 -13.540 16.917 1.00 0.00 C ATOM 988 C THR A 64 -5.584 -13.845 15.392 1.00 0.00 C ATOM 989 O THR A 64 -6.646 -13.811 14.760 1.00 0.00 O ATOM 990 CB THR A 64 -6.309 -14.600 17.775 1.00 0.00 C ATOM 991 OG1 THR A 64 -6.528 -14.125 19.101 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.523 -15.913 17.904 1.00 0.00 C ATOM 0 H THR A 64 -7.139 -12.140 16.833 1.00 0.00 H new ATOM 0 HA THR A 64 -4.528 -13.577 17.275 1.00 0.00 H new ATOM 0 HB THR A 64 -7.251 -14.778 17.256 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.003 -14.808 19.619 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.090 -16.618 18.511 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.358 -16.337 16.914 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.562 -15.716 18.379 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.403 -14.124 14.806 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.230 -14.200 13.324 1.00 0.00 C ATOM 1002 C VAL A 65 -4.870 -15.480 12.703 1.00 0.00 C ATOM 1003 O VAL A 65 -4.790 -16.576 13.270 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.749 -13.984 12.857 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.248 -12.554 13.144 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.733 -15.023 13.367 1.00 0.00 C ATOM 0 H VAL A 65 -3.546 -14.302 15.330 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.791 -13.354 12.927 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.802 -14.136 11.779 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.218 -12.454 12.803 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.876 -11.836 12.617 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.296 -12.360 14.216 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.741 -14.780 12.985 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.716 -15.010 14.457 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.022 -16.015 13.020 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.547 -15.299 11.554 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.475 -16.320 11.003 1.00 0.00 C ATOM 1018 C GLY A 66 -7.884 -16.476 11.645 1.00 0.00 C ATOM 1019 O GLY A 66 -8.604 -17.402 11.264 1.00 0.00 O ATOM 0 H GLY A 66 -5.473 -14.456 10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.617 -16.100 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.976 -17.287 11.064 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.274 -15.594 12.586 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.592 -15.617 13.272 1.00 0.00 C ATOM 1025 C GLU A 67 -10.170 -14.172 13.246 1.00 0.00 C ATOM 1026 O GLU A 67 -9.431 -13.190 13.399 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.436 -16.106 14.741 1.00 0.00 C ATOM 1028 CG GLU A 67 -9.031 -17.589 14.902 1.00 0.00 C ATOM 1029 CD GLU A 67 -8.909 -18.012 16.368 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -9.941 -18.341 16.992 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -7.778 -18.020 16.902 1.00 0.00 O ATOM 0 H GLU A 67 -7.675 -14.830 12.900 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.266 -16.306 12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.688 -15.486 15.236 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.379 -15.945 15.263 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.770 -18.219 14.407 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.079 -17.758 14.399 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.508 -14.046 13.099 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.196 -12.722 13.109 1.00 0.00 C ATOM 1040 C GLU A 68 -12.283 -12.142 14.551 1.00 0.00 C ATOM 1041 O GLU A 68 -13.145 -12.530 15.346 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.552 -12.736 12.348 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.668 -13.687 12.840 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.900 -13.645 11.932 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -16.738 -12.729 12.091 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -16.034 -14.524 11.053 1.00 0.00 O ATOM 0 H GLU A 68 -12.137 -14.839 12.972 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.578 -12.028 12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.951 -11.722 12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.344 -12.981 11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.283 -14.706 12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.956 -13.413 13.855 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.333 -11.250 14.881 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.123 -10.759 16.264 1.00 0.00 C ATOM 1055 C CYS A 69 -11.519 -9.272 16.386 1.00 0.00 C ATOM 1056 O CYS A 69 -11.249 -8.454 15.497 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.650 -10.922 16.660 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.501 -10.931 18.480 1.00 0.00 S ATOM 0 H CYS A 69 -10.688 -10.847 14.202 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.752 -11.348 16.931 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.253 -11.850 16.248 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.058 -10.108 16.241 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.944 -9.825 18.875 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.133 -8.938 17.530 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.691 -7.588 17.774 1.00 0.00 C ATOM 1066 C GLU A 70 -11.588 -6.565 18.167 1.00 0.00 C ATOM 1067 O GLU A 70 -10.890 -6.736 19.173 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.900 -7.634 18.746 1.00 0.00 C ATOM 1069 CG GLU A 70 -13.643 -8.094 20.200 1.00 0.00 C ATOM 1070 CD GLU A 70 -14.930 -8.167 21.025 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -15.608 -9.217 20.996 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -15.270 -7.174 21.706 1.00 0.00 O ATOM 0 H GLU A 70 -12.259 -9.584 18.309 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.096 -7.215 16.833 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.337 -6.636 18.783 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.651 -8.295 18.314 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.166 -9.074 20.189 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.947 -7.405 20.678 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.437 -5.520 17.333 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.410 -4.462 17.520 1.00 0.00 C ATOM 1081 C LEU A 71 -11.124 -3.149 17.925 1.00 0.00 C ATOM 1082 O LEU A 71 -12.056 -2.705 17.246 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.601 -4.270 16.204 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.533 -5.358 15.896 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.068 -5.288 14.429 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.308 -5.230 16.820 1.00 0.00 C ATOM 0 H LEU A 71 -12.020 -5.379 16.508 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.710 -4.749 18.305 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.303 -4.232 15.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.103 -3.301 16.245 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.011 -6.321 16.075 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.322 -6.061 14.247 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.921 -5.444 13.769 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.631 -4.309 14.232 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.584 -6.007 16.574 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.850 -4.251 16.683 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.622 -5.341 17.858 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.664 -2.507 19.017 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.285 -1.253 19.524 1.00 0.00 C ATOM 1100 C GLU A 72 -10.869 -0.052 18.627 1.00 0.00 C ATOM 1101 O GLU A 72 -9.740 0.441 18.714 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.927 -0.976 21.011 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.386 -2.045 22.029 1.00 0.00 C ATOM 1104 CD GLU A 72 -11.208 -1.607 23.485 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -12.016 -0.784 23.969 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -10.268 -2.088 24.156 1.00 0.00 O ATOM 0 H GLU A 72 -9.868 -2.829 19.568 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.367 -1.380 19.477 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.845 -0.869 21.090 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.364 -0.019 21.297 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.436 -2.278 21.852 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.823 -2.963 21.861 1.00 0.00 H new ATOM 1113 N THR A 73 -11.792 0.394 17.754 1.00 0.00 N ATOM 1114 CA THR A 73 -11.532 1.511 16.803 1.00 0.00 C ATOM 1115 C THR A 73 -11.686 2.899 17.493 1.00 0.00 C ATOM 1116 O THR A 73 -12.503 3.087 18.402 1.00 0.00 O ATOM 1117 CB THR A 73 -12.446 1.422 15.541 1.00 0.00 C ATOM 1118 OG1 THR A 73 -13.823 1.495 15.900 1.00 0.00 O ATOM 1119 CG2 THR A 73 -12.238 0.170 14.678 1.00 0.00 C ATOM 0 H THR A 73 -12.731 0.001 17.682 1.00 0.00 H new ATOM 0 HA THR A 73 -10.498 1.409 16.475 1.00 0.00 H new ATOM 0 HB THR A 73 -12.149 2.279 14.937 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.357 0.989 15.253 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.917 0.199 13.826 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.209 0.141 14.321 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.440 -0.720 15.274 1.00 0.00 H new ATOM 1127 N MET A 74 -10.927 3.883 16.980 1.00 0.00 N ATOM 1128 CA MET A 74 -11.099 5.327 17.317 1.00 0.00 C ATOM 1129 C MET A 74 -12.530 5.936 17.131 1.00 0.00 C ATOM 1130 O MET A 74 -12.947 6.732 17.978 1.00 0.00 O ATOM 1131 CB MET A 74 -9.997 6.182 16.626 1.00 0.00 C ATOM 1132 CG MET A 74 -9.908 6.141 15.085 1.00 0.00 C ATOM 1133 SD MET A 74 -9.193 4.567 14.545 1.00 0.00 S ATOM 1134 CE MET A 74 -9.702 4.503 12.818 1.00 0.00 C ATOM 0 H MET A 74 -10.172 3.710 16.317 1.00 0.00 H new ATOM 0 HA MET A 74 -10.975 5.367 18.399 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.143 7.220 16.925 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.032 5.869 17.025 1.00 0.00 H new ATOM 0 HG2 MET A 74 -10.901 6.266 14.652 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.297 6.969 14.726 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.330 3.585 12.363 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.790 4.522 12.758 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.295 5.363 12.287 1.00 0.00 H new ATOM 1144 N THR A 75 -13.276 5.553 16.072 1.00 0.00 N ATOM 1145 CA THR A 75 -14.712 5.908 15.914 1.00 0.00 C ATOM 1146 C THR A 75 -15.419 4.661 15.307 1.00 0.00 C ATOM 1147 O THR A 75 -15.287 4.363 14.115 1.00 0.00 O ATOM 1148 CB THR A 75 -14.941 7.249 15.152 1.00 0.00 C ATOM 1149 OG1 THR A 75 -16.335 7.538 15.104 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.383 7.360 13.723 1.00 0.00 C ATOM 0 H THR A 75 -12.907 4.992 15.304 1.00 0.00 H new ATOM 0 HA THR A 75 -15.167 6.132 16.879 1.00 0.00 H new ATOM 0 HB THR A 75 -14.365 7.968 15.735 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.465 8.496 14.944 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.616 8.344 13.317 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.302 7.222 13.743 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.835 6.592 13.095 1.00 0.00 H new ATOM 1158 N GLY A 76 -16.151 3.932 16.162 1.00 0.00 N ATOM 1159 CA GLY A 76 -16.896 2.724 15.751 1.00 0.00 C ATOM 1160 C GLY A 76 -17.395 1.932 16.974 1.00 0.00 C ATOM 1161 O GLY A 76 -17.843 2.515 17.968 1.00 0.00 O ATOM 0 H GLY A 76 -16.246 4.158 17.152 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.744 3.011 15.130 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.255 2.089 15.140 1.00 0.00 H new ATOM 1165 N GLU A 77 -17.355 0.590 16.872 1.00 0.00 N ATOM 1166 CA GLU A 77 -17.812 -0.310 17.968 1.00 0.00 C ATOM 1167 C GLU A 77 -17.242 -1.745 17.763 1.00 0.00 C ATOM 1168 O GLU A 77 -17.944 -2.626 17.254 1.00 0.00 O ATOM 1169 CB GLU A 77 -19.365 -0.292 18.125 1.00 0.00 C ATOM 1170 CG GLU A 77 -19.913 -0.932 19.419 1.00 0.00 C ATOM 1171 CD GLU A 77 -19.556 -0.184 20.710 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -20.161 0.877 20.982 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -18.671 -0.655 21.457 1.00 0.00 O ATOM 0 H GLU A 77 -17.013 0.098 16.047 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.416 0.066 18.911 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -19.705 0.743 18.081 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -19.804 -0.808 17.271 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -20.998 -0.998 19.343 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -19.535 -1.952 19.491 1.00 0.00 H new ATOM 1180 N LYS A 78 -15.987 -1.982 18.213 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.393 -3.340 18.416 1.00 0.00 C ATOM 1182 C LYS A 78 -15.501 -4.279 17.172 1.00 0.00 C ATOM 1183 O LYS A 78 -16.409 -5.111 17.077 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.890 -3.993 19.747 1.00 0.00 C ATOM 1185 CG LYS A 78 -15.104 -3.641 21.036 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.581 -2.452 21.901 1.00 0.00 C ATOM 1187 CE LYS A 78 -15.226 -1.042 21.390 1.00 0.00 C ATOM 1188 NZ LYS A 78 -15.411 -0.017 22.432 1.00 0.00 N ATOM 0 H LYS A 78 -15.343 -1.228 18.451 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.319 -3.188 18.527 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.932 -3.709 19.896 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.870 -5.076 19.622 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -15.097 -4.528 21.670 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.071 -3.446 20.749 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.665 -2.516 22.000 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.162 -2.568 22.901 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.191 -1.030 21.048 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.849 -0.801 20.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.162 0.917 22.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.404 -0.011 22.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.798 -0.233 23.244 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.602 -4.075 16.196 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.795 -4.557 14.803 1.00 0.00 C ATOM 1204 C VAL A 79 -14.178 -5.971 14.605 1.00 0.00 C ATOM 1205 O VAL A 79 -12.953 -6.128 14.621 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.288 -3.458 13.808 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -12.762 -3.208 13.771 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -14.796 -3.715 12.380 1.00 0.00 C ATOM 0 H VAL A 79 -13.724 -3.576 16.340 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.853 -4.702 14.586 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.718 -2.544 14.219 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.539 -2.426 13.045 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.421 -2.895 14.758 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.250 -4.126 13.484 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.426 -2.934 11.716 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.437 -4.685 12.035 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.886 -3.709 12.375 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.037 -6.991 14.398 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.588 -8.391 14.163 1.00 0.00 C ATOM 1220 C LYS A 80 -14.055 -8.567 12.710 1.00 0.00 C ATOM 1221 O LYS A 80 -14.823 -8.581 11.742 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.657 -9.430 14.598 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.042 -9.394 13.906 1.00 0.00 C ATOM 1224 CD LYS A 80 -18.050 -10.433 14.439 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.616 -10.116 15.838 1.00 0.00 C ATOM 1226 NZ LYS A 80 -19.606 -11.123 16.257 1.00 0.00 N ATOM 0 H LYS A 80 -16.050 -6.876 14.388 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.738 -8.599 14.813 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.236 -10.424 14.446 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.818 -9.312 15.670 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.468 -8.398 14.026 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.904 -9.555 12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.878 -10.511 13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.565 -11.409 14.470 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.802 -10.080 16.562 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.079 -9.129 15.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.968 -10.882 17.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.394 -11.139 15.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.156 -12.060 16.288 1.00 0.00 H new ATOM 1240 N THR A 81 -12.717 -8.639 12.590 1.00 0.00 N ATOM 1241 CA THR A 81 -12.002 -8.607 11.285 1.00 0.00 C ATOM 1242 C THR A 81 -10.833 -9.632 11.317 1.00 0.00 C ATOM 1243 O THR A 81 -10.070 -9.709 12.287 1.00 0.00 O ATOM 1244 CB THR A 81 -11.552 -7.158 10.916 1.00 0.00 C ATOM 1245 OG1 THR A 81 -11.023 -7.150 9.594 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.516 -6.498 11.847 1.00 0.00 C ATOM 0 H THR A 81 -12.093 -8.721 13.392 1.00 0.00 H new ATOM 0 HA THR A 81 -12.679 -8.906 10.485 1.00 0.00 H new ATOM 0 HB THR A 81 -12.460 -6.564 11.022 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.053 -7.017 9.631 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.287 -5.496 11.484 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.923 -6.434 12.856 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.605 -7.097 11.860 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.687 -10.396 10.217 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.620 -11.429 10.076 1.00 0.00 C ATOM 1256 C VAL A 82 -8.290 -10.700 9.706 1.00 0.00 C ATOM 1257 O VAL A 82 -8.203 -10.033 8.667 1.00 0.00 O ATOM 1258 CB VAL A 82 -9.982 -12.545 9.032 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -8.937 -13.687 9.017 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.366 -13.206 9.229 1.00 0.00 C ATOM 0 H VAL A 82 -11.296 -10.322 9.402 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.510 -11.956 11.024 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.995 -11.998 8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.228 -14.436 8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.959 -13.282 8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.887 -14.148 10.004 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.521 -13.962 8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.409 -13.675 10.212 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.145 -12.448 9.155 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.268 -10.859 10.567 1.00 0.00 N ATOM 1271 CA VAL A 83 -5.915 -10.286 10.330 1.00 0.00 C ATOM 1272 C VAL A 83 -5.026 -11.489 9.912 1.00 0.00 C ATOM 1273 O VAL A 83 -4.636 -12.283 10.770 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.342 -9.516 11.575 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.041 -8.761 11.212 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.313 -8.525 12.262 1.00 0.00 C ATOM 0 H VAL A 83 -7.347 -11.381 11.440 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.947 -9.523 9.553 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.155 -10.309 12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.667 -8.237 12.092 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.291 -9.473 10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.247 -8.040 10.421 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.812 -8.052 13.107 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.619 -7.761 11.547 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.192 -9.063 12.616 1.00 0.00 H new ATOM 1286 N GLN A 84 -4.703 -11.639 8.613 1.00 0.00 N ATOM 1287 CA GLN A 84 -3.880 -12.774 8.135 1.00 0.00 C ATOM 1288 C GLN A 84 -2.376 -12.406 8.189 1.00 0.00 C ATOM 1289 O GLN A 84 -1.945 -11.378 7.656 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.307 -13.174 6.701 1.00 0.00 C ATOM 1291 CG GLN A 84 -5.624 -13.971 6.575 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.648 -15.400 7.157 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -4.670 -15.929 7.687 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -6.788 -16.064 7.051 1.00 0.00 N ATOM 0 H GLN A 84 -4.996 -10.995 7.878 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.040 -13.631 8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.399 -12.266 6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.506 -13.766 6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.413 -13.396 7.060 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.880 -14.034 5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.596 -15.623 6.612 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.859 -17.017 7.409 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.589 -13.295 8.819 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.113 -13.164 8.875 1.00 0.00 C ATOM 1305 C LEU A 85 0.513 -13.830 7.623 1.00 0.00 C ATOM 1306 O LEU A 85 0.369 -15.036 7.395 1.00 0.00 O ATOM 1307 CB LEU A 85 0.428 -13.750 10.209 1.00 0.00 C ATOM 1308 CG LEU A 85 1.969 -13.724 10.429 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.608 -12.334 10.241 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.319 -14.292 11.816 1.00 0.00 C ATOM 0 H LEU A 85 -1.948 -14.119 9.301 1.00 0.00 H new ATOM 0 HA LEU A 85 0.173 -12.112 8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.039 -13.206 11.030 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.095 -14.785 10.282 1.00 0.00 H new ATOM 0 HG LEU A 85 2.394 -14.355 9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.682 -12.401 10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.423 -11.983 9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.171 -11.633 10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.400 -14.268 11.957 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.839 -13.690 12.587 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.967 -15.321 11.887 1.00 0.00 H new ATOM 1322 N GLU A 86 1.235 -13.002 6.854 1.00 0.00 N ATOM 1323 CA GLU A 86 2.033 -13.453 5.692 1.00 0.00 C ATOM 1324 C GLU A 86 3.516 -13.525 6.123 1.00 0.00 C ATOM 1325 O GLU A 86 4.148 -12.516 6.461 1.00 0.00 O ATOM 1326 CB GLU A 86 1.837 -12.521 4.474 1.00 0.00 C ATOM 1327 CG GLU A 86 0.475 -12.703 3.776 1.00 0.00 C ATOM 1328 CD GLU A 86 0.292 -11.765 2.582 1.00 0.00 C ATOM 1329 OE1 GLU A 86 0.690 -12.133 1.455 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -0.247 -10.652 2.766 1.00 0.00 O ATOM 0 H GLU A 86 1.286 -11.996 7.017 1.00 0.00 H new ATOM 0 HA GLU A 86 1.697 -14.440 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.935 -11.485 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.634 -12.705 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.379 -13.735 3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.324 -12.527 4.496 1.00 0.00 H new ATOM 1337 N GLY A 87 4.025 -14.766 6.136 1.00 0.00 N ATOM 1338 CA GLY A 87 5.380 -15.087 6.637 1.00 0.00 C ATOM 1339 C GLY A 87 5.531 -14.897 8.163 1.00 0.00 C ATOM 1340 O GLY A 87 4.914 -15.616 8.953 1.00 0.00 O ATOM 0 H GLY A 87 3.511 -15.581 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.619 -16.119 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.107 -14.456 6.126 1.00 0.00 H new ATOM 1344 N ASP A 88 6.337 -13.893 8.542 1.00 0.00 N ATOM 1345 CA ASP A 88 6.443 -13.402 9.948 1.00 0.00 C ATOM 1346 C ASP A 88 6.493 -11.836 10.091 1.00 0.00 C ATOM 1347 O ASP A 88 6.497 -11.354 11.229 1.00 0.00 O ATOM 1348 CB ASP A 88 7.651 -14.110 10.628 1.00 0.00 C ATOM 1349 CG ASP A 88 7.701 -14.028 12.164 1.00 0.00 C ATOM 1350 OD1 ASP A 88 6.732 -14.460 12.828 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.711 -13.533 12.709 1.00 0.00 O ATOM 0 H ASP A 88 6.939 -13.390 7.890 1.00 0.00 H new ATOM 0 HA ASP A 88 5.521 -13.667 10.466 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.640 -15.161 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.570 -13.680 10.230 1.00 0.00 H new ATOM 1356 N ASN A 89 6.522 -11.043 8.993 1.00 0.00 N ATOM 1357 CA ASN A 89 6.671 -9.559 9.043 1.00 0.00 C ATOM 1358 C ASN A 89 5.714 -8.755 8.093 1.00 0.00 C ATOM 1359 O ASN A 89 6.092 -7.686 7.601 1.00 0.00 O ATOM 1360 CB ASN A 89 8.181 -9.200 8.909 1.00 0.00 C ATOM 1361 CG ASN A 89 8.858 -9.347 7.525 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.597 -10.275 6.761 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.754 -8.431 7.190 1.00 0.00 N ATOM 0 H ASN A 89 6.443 -11.410 8.044 1.00 0.00 H new ATOM 0 HA ASN A 89 6.321 -9.220 10.018 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.305 -8.166 9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.733 -9.821 9.615 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.234 -8.492 6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.964 -7.665 7.830 1.00 0.00 H new ATOM 1370 N LYS A 90 4.460 -9.217 7.887 1.00 0.00 N ATOM 1371 CA LYS A 90 3.416 -8.464 7.145 1.00 0.00 C ATOM 1372 C LYS A 90 2.018 -8.942 7.632 1.00 0.00 C ATOM 1373 O LYS A 90 1.702 -10.134 7.584 1.00 0.00 O ATOM 1374 CB LYS A 90 3.576 -8.652 5.612 1.00 0.00 C ATOM 1375 CG LYS A 90 2.783 -7.627 4.769 1.00 0.00 C ATOM 1376 CD LYS A 90 2.529 -8.095 3.325 1.00 0.00 C ATOM 1377 CE LYS A 90 1.737 -7.063 2.504 1.00 0.00 C ATOM 1378 NZ LYS A 90 1.462 -7.556 1.144 1.00 0.00 N ATOM 0 H LYS A 90 4.140 -10.123 8.230 1.00 0.00 H new ATOM 0 HA LYS A 90 3.522 -7.398 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.633 -8.579 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.252 -9.657 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.827 -7.430 5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.329 -6.684 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.484 -8.289 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.982 -9.038 3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.797 -6.838 3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.299 -6.131 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.927 -6.837 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.360 -7.747 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.904 -8.432 1.199 1.00 0.00 H new ATOM 1392 N LEU A 91 1.179 -7.986 8.059 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.215 -8.248 8.513 1.00 0.00 C ATOM 1394 C LEU A 91 -1.195 -7.516 7.557 1.00 0.00 C ATOM 1395 O LEU A 91 -1.013 -6.331 7.261 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.409 -7.736 9.966 1.00 0.00 C ATOM 1397 CG LEU A 91 0.393 -8.472 11.076 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.492 -7.599 12.339 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.176 -9.864 11.412 1.00 0.00 C ATOM 0 H LEU A 91 1.440 -7.001 8.103 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.412 -9.320 8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.139 -6.680 9.994 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.469 -7.801 10.212 1.00 0.00 H new ATOM 0 HG LEU A 91 1.394 -8.640 10.680 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.057 -8.130 13.105 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.999 -6.665 12.097 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.509 -7.382 12.711 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.428 -10.325 12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.204 -9.763 11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.155 -10.490 10.520 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.240 -8.225 7.094 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.232 -7.690 6.123 1.00 0.00 C ATOM 1413 C VAL A 92 -4.657 -7.796 6.747 1.00 0.00 C ATOM 1414 O VAL A 92 -5.138 -8.889 7.061 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.116 -8.383 4.723 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -1.873 -7.911 3.934 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -3.186 -9.928 4.690 1.00 0.00 C ATOM 0 H VAL A 92 -2.427 -9.187 7.378 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.023 -6.638 5.931 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.033 -8.047 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.838 -8.421 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.931 -6.835 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.972 -8.145 4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.093 -10.275 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.373 -10.342 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.141 -10.258 5.099 1.00 0.00 H new ATOM 1427 N THR A 93 -5.319 -6.637 6.913 1.00 0.00 N ATOM 1428 CA THR A 93 -6.702 -6.542 7.462 1.00 0.00 C ATOM 1429 C THR A 93 -7.458 -5.341 6.822 1.00 0.00 C ATOM 1430 O THR A 93 -6.856 -4.374 6.342 1.00 0.00 O ATOM 1431 CB THR A 93 -6.694 -6.518 9.023 1.00 0.00 C ATOM 1432 OG1 THR A 93 -8.016 -6.703 9.517 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.095 -5.273 9.708 1.00 0.00 C ATOM 0 H THR A 93 -4.916 -5.731 6.672 1.00 0.00 H new ATOM 0 HA THR A 93 -7.257 -7.439 7.188 1.00 0.00 H new ATOM 0 HB THR A 93 -6.020 -7.335 9.281 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.068 -6.379 10.441 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.154 -5.389 10.790 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.052 -5.161 9.411 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.655 -4.388 9.408 1.00 0.00 H new ATOM 1441 N THR A 94 -8.800 -5.416 6.844 1.00 0.00 N ATOM 1442 CA THR A 94 -9.683 -4.352 6.302 1.00 0.00 C ATOM 1443 C THR A 94 -10.908 -4.174 7.243 1.00 0.00 C ATOM 1444 O THR A 94 -11.627 -5.136 7.540 1.00 0.00 O ATOM 1445 CB THR A 94 -10.029 -4.590 4.803 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.819 -3.511 4.312 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.728 -5.919 4.460 1.00 0.00 C ATOM 0 H THR A 94 -9.308 -6.210 7.235 1.00 0.00 H new ATOM 0 HA THR A 94 -9.157 -3.397 6.293 1.00 0.00 H new ATOM 0 HB THR A 94 -9.057 -4.649 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.032 -3.665 3.368 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.915 -5.965 3.387 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.089 -6.752 4.753 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.675 -5.981 4.997 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.121 -2.931 7.712 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.151 -2.616 8.741 1.00 0.00 C ATOM 1457 C PHE A 95 -12.675 -1.164 8.569 1.00 0.00 C ATOM 1458 O PHE A 95 -11.887 -0.220 8.460 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.643 -2.896 10.188 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.432 -2.101 10.727 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.622 -0.858 11.344 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.138 -2.626 10.629 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -9.535 -0.146 11.843 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.053 -1.916 11.141 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.252 -0.678 11.746 1.00 0.00 C ATOM 0 H PHE A 95 -10.593 -2.117 7.397 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.993 -3.290 8.584 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.477 -2.725 10.868 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.394 -3.955 10.250 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -11.618 -0.450 11.433 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.980 -3.584 10.155 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.687 0.818 12.305 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.057 -2.327 11.068 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.410 -0.129 12.141 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.013 -0.989 8.579 1.00 0.00 N ATOM 1476 CA LYS A 96 -14.688 0.344 8.440 1.00 0.00 C ATOM 1477 C LYS A 96 -14.333 1.138 7.129 1.00 0.00 C ATOM 1478 O LYS A 96 -14.057 2.343 7.171 1.00 0.00 O ATOM 1479 CB LYS A 96 -14.547 1.212 9.735 1.00 0.00 C ATOM 1480 CG LYS A 96 -14.971 0.601 11.093 1.00 0.00 C ATOM 1481 CD LYS A 96 -16.475 0.283 11.221 1.00 0.00 C ATOM 1482 CE LYS A 96 -16.853 -0.226 12.624 1.00 0.00 C ATOM 1483 NZ LYS A 96 -18.288 -0.539 12.722 1.00 0.00 N ATOM 0 H LYS A 96 -14.669 -1.763 8.683 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.745 0.108 8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.502 1.511 9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.128 2.122 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.405 -0.317 11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.692 1.292 11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -17.053 1.179 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -16.749 -0.468 10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.270 -1.117 12.857 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.594 0.528 13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.505 -0.879 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.844 0.317 12.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.530 -1.277 12.030 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.315 0.450 5.964 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.740 0.954 4.685 1.00 0.00 C ATOM 1499 C ASN A 97 -12.278 1.525 4.766 1.00 0.00 C ATOM 1500 O ASN A 97 -12.009 2.638 4.307 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.787 1.857 3.964 1.00 0.00 C ATOM 1502 CG ASN A 97 -14.660 1.847 2.434 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -15.119 0.925 1.761 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -14.026 2.847 1.853 1.00 0.00 N ATOM 0 H ASN A 97 -14.706 -0.488 5.880 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.558 0.090 4.045 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.789 1.527 4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.679 2.881 4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.914 2.859 0.839 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.648 3.608 2.417 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.345 0.756 5.364 1.00 0.00 N ATOM 1512 CA ILE A 98 -9.930 1.180 5.570 1.00 0.00 C ATOM 1513 C ILE A 98 -9.090 -0.086 5.240 1.00 0.00 C ATOM 1514 O ILE A 98 -9.140 -1.068 5.985 1.00 0.00 O ATOM 1515 CB ILE A 98 -9.615 1.719 7.018 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -10.492 2.925 7.476 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.117 2.095 7.183 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -10.610 3.099 9.000 1.00 0.00 C ATOM 0 H ILE A 98 -11.544 -0.179 5.721 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.695 2.031 4.931 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.868 0.879 7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.077 3.839 7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.493 2.806 7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.943 2.462 8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.499 1.215 7.005 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.856 2.873 6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.238 3.962 9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.057 2.205 9.435 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -9.619 3.254 9.426 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.247 -0.016 4.193 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.177 -1.024 3.948 1.00 0.00 C ATOM 1532 C LYS A 99 -5.985 -0.745 4.907 1.00 0.00 C ATOM 1533 O LYS A 99 -5.217 0.195 4.689 1.00 0.00 O ATOM 1534 CB LYS A 99 -6.723 -0.984 2.465 1.00 0.00 C ATOM 1535 CG LYS A 99 -7.663 -1.684 1.457 1.00 0.00 C ATOM 1536 CD LYS A 99 -7.705 -3.232 1.505 1.00 0.00 C ATOM 1537 CE LYS A 99 -6.383 -3.989 1.246 1.00 0.00 C ATOM 1538 NZ LYS A 99 -5.860 -3.806 -0.122 1.00 0.00 N ATOM 0 H LYS A 99 -8.280 0.728 3.496 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.564 -2.024 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.612 0.058 2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.737 -1.443 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.674 -1.311 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.369 -1.382 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.076 -3.528 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.437 -3.572 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.633 -3.651 1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.540 -5.052 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.973 -4.339 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.558 -4.154 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.679 -2.796 -0.292 1.00 0.00 H new ATOM 1552 N SER A 100 -5.879 -1.553 5.975 1.00 0.00 N ATOM 1553 CA SER A 100 -4.907 -1.340 7.079 1.00 0.00 C ATOM 1554 C SER A 100 -3.838 -2.462 7.022 1.00 0.00 C ATOM 1555 O SER A 100 -4.117 -3.615 7.368 1.00 0.00 O ATOM 1556 CB SER A 100 -5.698 -1.314 8.406 1.00 0.00 C ATOM 1557 OG SER A 100 -4.838 -1.070 9.512 1.00 0.00 O ATOM 0 H SER A 100 -6.464 -2.378 6.105 1.00 0.00 H new ATOM 0 HA SER A 100 -4.376 -0.392 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.465 -0.541 8.360 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.212 -2.265 8.545 1.00 0.00 H new ATOM 0 HG SER A 100 -5.376 -0.898 10.313 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.625 -2.112 6.554 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.541 -3.098 6.275 1.00 0.00 C ATOM 1565 C VAL A 101 -0.325 -2.682 7.142 1.00 0.00 C ATOM 1566 O VAL A 101 0.302 -1.653 6.882 1.00 0.00 O ATOM 1567 CB VAL A 101 -1.191 -3.177 4.750 1.00 0.00 C ATOM 1568 CG1 VAL A 101 -0.028 -4.153 4.435 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -2.402 -3.603 3.888 1.00 0.00 C ATOM 0 H VAL A 101 -2.361 -1.147 6.357 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.863 -4.106 6.536 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.886 -2.162 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.162 -4.159 3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.871 -3.830 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.298 -5.158 4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.106 -3.642 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.746 -4.587 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.208 -2.880 4.011 1.00 0.00 H new ATOM 1579 N THR A 102 0.015 -3.524 8.132 1.00 0.00 N ATOM 1580 CA THR A 102 1.134 -3.260 9.076 1.00 0.00 C ATOM 1581 C THR A 102 2.342 -4.127 8.610 1.00 0.00 C ATOM 1582 O THR A 102 2.478 -5.282 9.024 1.00 0.00 O ATOM 1583 CB THR A 102 0.674 -3.554 10.538 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.516 -2.840 10.857 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.717 -3.171 11.596 1.00 0.00 C ATOM 0 H THR A 102 -0.470 -4.404 8.307 1.00 0.00 H new ATOM 0 HA THR A 102 1.442 -2.214 9.072 1.00 0.00 H new ATOM 0 HB THR A 102 0.515 -4.632 10.565 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.783 -3.044 11.778 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.331 -3.403 12.588 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.634 -3.734 11.423 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.928 -2.104 11.529 1.00 0.00 H new ATOM 1593 N GLU A 103 3.205 -3.558 7.746 1.00 0.00 N ATOM 1594 CA GLU A 103 4.409 -4.258 7.222 1.00 0.00 C ATOM 1595 C GLU A 103 5.654 -3.750 7.992 1.00 0.00 C ATOM 1596 O GLU A 103 5.961 -2.553 7.981 1.00 0.00 O ATOM 1597 CB GLU A 103 4.539 -4.035 5.692 1.00 0.00 C ATOM 1598 CG GLU A 103 5.572 -4.962 5.010 1.00 0.00 C ATOM 1599 CD GLU A 103 5.576 -4.839 3.483 1.00 0.00 C ATOM 1600 OE1 GLU A 103 5.995 -3.782 2.959 1.00 0.00 O ATOM 1601 OE2 GLU A 103 5.161 -5.799 2.798 1.00 0.00 O ATOM 0 H GLU A 103 3.095 -2.608 7.390 1.00 0.00 H new ATOM 0 HA GLU A 103 4.320 -5.333 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.565 -4.189 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.819 -2.998 5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.567 -4.729 5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.360 -5.995 5.284 1.00 0.00 H new ATOM 1608 N LEU A 104 6.383 -4.689 8.620 1.00 0.00 N ATOM 1609 CA LEU A 104 7.641 -4.371 9.348 1.00 0.00 C ATOM 1610 C LEU A 104 8.805 -4.238 8.327 1.00 0.00 C ATOM 1611 O LEU A 104 9.149 -5.209 7.644 1.00 0.00 O ATOM 1612 CB LEU A 104 7.949 -5.454 10.423 1.00 0.00 C ATOM 1613 CG LEU A 104 8.582 -4.976 11.757 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.830 -6.199 12.658 1.00 0.00 C ATOM 1615 CD2 LEU A 104 9.887 -4.171 11.610 1.00 0.00 C ATOM 0 H LEU A 104 6.129 -5.677 8.643 1.00 0.00 H new ATOM 0 HA LEU A 104 7.524 -3.423 9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.018 -5.970 10.658 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.618 -6.190 9.977 1.00 0.00 H new ATOM 0 HG LEU A 104 7.865 -4.284 12.198 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.275 -5.874 13.598 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.884 -6.701 12.859 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.507 -6.890 12.156 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.250 -3.883 12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.638 -4.784 11.112 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.698 -3.276 11.018 1.00 0.00 H new ATOM 1627 N ASN A 105 9.386 -3.029 8.227 1.00 0.00 N ATOM 1628 CA ASN A 105 10.464 -2.732 7.239 1.00 0.00 C ATOM 1629 C ASN A 105 11.817 -2.465 7.974 1.00 0.00 C ATOM 1630 O ASN A 105 12.364 -1.357 7.925 1.00 0.00 O ATOM 1631 CB ASN A 105 10.037 -1.565 6.296 1.00 0.00 C ATOM 1632 CG ASN A 105 8.661 -1.644 5.592 1.00 0.00 C ATOM 1633 OD1 ASN A 105 7.776 -0.828 5.845 1.00 0.00 O ATOM 1634 ND2 ASN A 105 8.438 -2.606 4.712 1.00 0.00 N ATOM 0 H ASN A 105 9.134 -2.234 8.815 1.00 0.00 H new ATOM 0 HA ASN A 105 10.622 -3.602 6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.057 -0.644 6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.799 -1.469 5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.534 -2.670 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.170 -3.284 4.501 1.00 0.00 H new ATOM 1641 N GLY A 106 12.356 -3.499 8.655 1.00 0.00 N ATOM 1642 CA GLY A 106 13.647 -3.420 9.386 1.00 0.00 C ATOM 1643 C GLY A 106 13.692 -2.408 10.550 1.00 0.00 C ATOM 1644 O GLY A 106 14.290 -1.339 10.406 1.00 0.00 O ATOM 0 H GLY A 106 11.911 -4.415 8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.883 -4.409 9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.432 -3.164 8.675 1.00 0.00 H new ATOM 1648 N ASP A 107 13.008 -2.740 11.664 1.00 0.00 N ATOM 1649 CA ASP A 107 12.700 -1.809 12.791 1.00 0.00 C ATOM 1650 C ASP A 107 11.687 -0.645 12.516 1.00 0.00 C ATOM 1651 O ASP A 107 11.090 -0.138 13.470 1.00 0.00 O ATOM 1652 CB ASP A 107 13.966 -1.333 13.551 1.00 0.00 C ATOM 1653 CG ASP A 107 14.715 -2.428 14.325 1.00 0.00 C ATOM 1654 OD1 ASP A 107 14.327 -2.730 15.475 1.00 0.00 O ATOM 1655 OD2 ASP A 107 15.691 -2.992 13.783 1.00 0.00 O ATOM 0 H ASP A 107 12.643 -3.680 11.817 1.00 0.00 H new ATOM 0 HA ASP A 107 12.130 -2.455 13.458 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.653 -0.883 12.834 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.677 -0.549 14.251 1.00 0.00 H new ATOM 1660 N ILE A 108 11.485 -0.231 11.250 1.00 0.00 N ATOM 1661 CA ILE A 108 10.600 0.906 10.878 1.00 0.00 C ATOM 1662 C ILE A 108 9.259 0.263 10.412 1.00 0.00 C ATOM 1663 O ILE A 108 9.114 -0.134 9.253 1.00 0.00 O ATOM 1664 CB ILE A 108 11.298 1.848 9.832 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.597 2.508 10.385 1.00 0.00 C ATOM 1666 CG2 ILE A 108 10.336 2.953 9.323 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.532 3.119 9.332 1.00 0.00 C ATOM 0 H ILE A 108 11.931 -0.674 10.447 1.00 0.00 H new ATOM 0 HA ILE A 108 10.392 1.578 11.710 1.00 0.00 H new ATOM 0 HB ILE A 108 11.576 1.203 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.314 3.289 11.090 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.153 1.758 10.947 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.856 3.584 8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.472 2.491 8.845 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.004 3.562 10.164 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.403 3.550 9.825 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.855 2.343 8.638 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.003 3.898 8.784 1.00 0.00 H new ATOM 1679 N ILE A 109 8.290 0.172 11.340 1.00 0.00 N ATOM 1680 CA ILE A 109 6.982 -0.494 11.100 1.00 0.00 C ATOM 1681 C ILE A 109 5.990 0.526 10.459 1.00 0.00 C ATOM 1682 O ILE A 109 5.654 1.556 11.051 1.00 0.00 O ATOM 1683 CB ILE A 109 6.489 -1.202 12.408 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.335 -2.203 12.131 1.00 0.00 C ATOM 1685 CG2 ILE A 109 6.126 -0.234 13.561 1.00 0.00 C ATOM 1686 CD1 ILE A 109 4.892 -2.999 13.364 1.00 0.00 C ATOM 0 H ILE A 109 8.384 0.556 12.280 1.00 0.00 H new ATOM 0 HA ILE A 109 7.070 -1.301 10.373 1.00 0.00 H new ATOM 0 HB ILE A 109 7.354 -1.766 12.758 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.479 -1.655 11.738 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.651 -2.900 11.355 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.795 -0.807 14.427 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.002 0.356 13.830 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.325 0.432 13.239 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.083 -3.676 13.089 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.734 -3.576 13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.544 -2.312 14.135 1.00 0.00 H new ATOM 1698 N THR A 110 5.560 0.219 9.228 1.00 0.00 N ATOM 1699 CA THR A 110 4.783 1.154 8.374 1.00 0.00 C ATOM 1700 C THR A 110 3.325 0.622 8.297 1.00 0.00 C ATOM 1701 O THR A 110 3.055 -0.375 7.618 1.00 0.00 O ATOM 1702 CB THR A 110 5.481 1.290 6.987 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.833 1.714 7.156 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.815 2.305 6.045 1.00 0.00 C ATOM 0 H THR A 110 5.737 -0.684 8.787 1.00 0.00 H new ATOM 0 HA THR A 110 4.746 2.161 8.789 1.00 0.00 H new ATOM 0 HB THR A 110 5.406 0.300 6.537 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.437 1.040 6.780 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.361 2.339 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.784 2.005 5.856 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.826 3.292 6.507 1.00 0.00 H new ATOM 1712 N ASN A 111 2.399 1.310 8.994 1.00 0.00 N ATOM 1713 CA ASN A 111 0.952 0.976 8.972 1.00 0.00 C ATOM 1714 C ASN A 111 0.244 1.965 8.014 1.00 0.00 C ATOM 1715 O ASN A 111 -0.076 3.101 8.375 1.00 0.00 O ATOM 1716 CB ASN A 111 0.404 0.944 10.427 1.00 0.00 C ATOM 1717 CG ASN A 111 -1.126 0.834 10.620 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.742 1.677 11.270 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.771 -0.184 10.068 1.00 0.00 N ATOM 0 H ASN A 111 2.626 2.109 9.586 1.00 0.00 H new ATOM 0 HA ASN A 111 0.757 -0.022 8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.868 0.102 10.941 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.741 1.850 10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.781 -0.270 10.182 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.257 -0.882 9.529 1.00 0.00 H new ATOM 1726 N THR A 112 -0.003 1.470 6.790 1.00 0.00 N ATOM 1727 CA THR A 112 -0.631 2.249 5.700 1.00 0.00 C ATOM 1728 C THR A 112 -2.168 2.036 5.797 1.00 0.00 C ATOM 1729 O THR A 112 -2.679 0.971 5.444 1.00 0.00 O ATOM 1730 CB THR A 112 -0.022 1.796 4.341 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.404 1.863 4.367 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.481 2.668 3.167 1.00 0.00 C ATOM 0 H THR A 112 0.227 0.513 6.523 1.00 0.00 H new ATOM 0 HA THR A 112 -0.437 3.318 5.783 1.00 0.00 H new ATOM 0 HB THR A 112 -0.370 0.773 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.761 1.572 3.502 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.025 2.306 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.566 2.618 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.178 3.701 3.341 1.00 0.00 H new ATOM 1740 N MET A 113 -2.871 3.065 6.297 1.00 0.00 N ATOM 1741 CA MET A 113 -4.341 3.044 6.510 1.00 0.00 C ATOM 1742 C MET A 113 -4.980 3.946 5.424 1.00 0.00 C ATOM 1743 O MET A 113 -4.951 5.176 5.528 1.00 0.00 O ATOM 1744 CB MET A 113 -4.683 3.535 7.943 1.00 0.00 C ATOM 1745 CG MET A 113 -4.315 2.554 9.068 1.00 0.00 C ATOM 1746 SD MET A 113 -4.658 3.286 10.686 1.00 0.00 S ATOM 1747 CE MET A 113 -6.415 2.929 10.901 1.00 0.00 C ATOM 0 H MET A 113 -2.438 3.947 6.570 1.00 0.00 H new ATOM 0 HA MET A 113 -4.737 2.032 6.423 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.168 4.479 8.121 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.752 3.741 7.995 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.882 1.630 8.953 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.260 2.291 8.998 1.00 0.00 H new ATOM 0 HE1 MET A 113 -6.748 3.311 11.866 1.00 0.00 H new ATOM 0 HE2 MET A 113 -6.984 3.409 10.105 1.00 0.00 H new ATOM 0 HE3 MET A 113 -6.575 1.851 10.862 1.00 0.00 H new ATOM 1757 N THR A 114 -5.533 3.318 4.374 1.00 0.00 N ATOM 1758 CA THR A 114 -6.077 4.039 3.195 1.00 0.00 C ATOM 1759 C THR A 114 -7.627 3.977 3.264 1.00 0.00 C ATOM 1760 O THR A 114 -8.233 2.919 3.070 1.00 0.00 O ATOM 1761 CB THR A 114 -5.495 3.449 1.881 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.071 3.527 1.897 1.00 0.00 O ATOM 1763 CG2 THR A 114 -5.971 4.162 0.600 1.00 0.00 C ATOM 0 H THR A 114 -5.619 2.304 4.311 1.00 0.00 H new ATOM 0 HA THR A 114 -5.779 5.087 3.204 1.00 0.00 H new ATOM 0 HB THR A 114 -5.856 2.421 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.713 3.151 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.518 3.688 -0.270 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.056 4.093 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.676 5.211 0.636 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.243 5.148 3.481 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.722 5.329 3.430 1.00 0.00 C ATOM 1773 C LEU A 115 -10.286 5.196 1.981 1.00 0.00 C ATOM 1774 O LEU A 115 -11.096 4.302 1.719 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.064 6.670 4.151 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.554 7.090 4.286 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.428 6.038 4.995 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -11.657 8.442 5.022 1.00 0.00 C ATOM 0 H LEU A 115 -7.737 6.007 3.699 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.229 4.525 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.643 6.621 5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.542 7.470 3.625 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.941 7.182 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.455 6.398 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.402 5.105 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.046 5.866 6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.705 8.728 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.219 8.349 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.120 9.205 4.459 1.00 0.00 H new ATOM 1790 N GLY A 116 -9.824 6.057 1.062 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.114 5.943 -0.382 1.00 0.00 C ATOM 1792 C GLY A 116 -8.983 6.639 -1.155 1.00 0.00 C ATOM 1793 O GLY A 116 -8.036 5.982 -1.599 1.00 0.00 O ATOM 0 H GLY A 116 -9.236 6.857 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.185 4.895 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.074 6.405 -0.615 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.072 7.975 -1.252 1.00 0.00 N ATOM 1798 CA ASP A 117 -7.925 8.834 -1.678 1.00 0.00 C ATOM 1799 C ASP A 117 -6.871 9.122 -0.557 1.00 0.00 C ATOM 1800 O ASP A 117 -5.690 9.285 -0.880 1.00 0.00 O ATOM 1801 CB ASP A 117 -8.448 10.177 -2.263 1.00 0.00 C ATOM 1802 CG ASP A 117 -9.229 10.062 -3.583 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -8.594 9.953 -4.655 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -10.480 10.081 -3.550 1.00 0.00 O ATOM 0 H ASP A 117 -9.923 8.497 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.401 8.258 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.090 10.651 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.598 10.841 -2.420 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.278 9.219 0.730 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.418 9.714 1.842 1.00 0.00 C ATOM 1811 C ILE A 118 -5.554 8.525 2.367 1.00 0.00 C ATOM 1812 O ILE A 118 -6.094 7.529 2.858 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.307 10.372 2.962 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.158 11.585 2.458 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.462 10.824 4.181 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.346 11.974 3.355 1.00 0.00 C ATOM 0 H ILE A 118 -8.216 8.956 1.033 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.740 10.493 1.494 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.996 9.583 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.503 12.450 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.537 11.353 1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.115 11.273 4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.954 9.961 4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.722 11.557 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.869 12.824 2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.031 11.130 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.981 12.244 4.346 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.218 8.678 2.288 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.246 7.639 2.732 1.00 0.00 C ATOM 1830 C VAL A 119 -2.623 8.137 4.076 1.00 0.00 C ATOM 1831 O VAL A 119 -1.687 8.943 4.088 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.194 7.335 1.605 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.136 6.295 2.037 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -2.825 6.825 0.284 1.00 0.00 C ATOM 0 H VAL A 119 -3.775 9.519 1.917 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.731 6.680 2.913 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.725 8.303 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.437 6.126 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.594 6.667 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.630 5.357 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.038 6.637 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.372 5.901 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.510 7.578 -0.107 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.145 7.610 5.197 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.602 7.848 6.563 1.00 0.00 C ATOM 1846 C PHE A 120 -1.528 6.773 6.885 1.00 0.00 C ATOM 1847 O PHE A 120 -1.855 5.655 7.295 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.805 7.830 7.548 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.544 7.877 9.070 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.614 8.755 9.641 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -4.303 7.052 9.908 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.469 8.824 11.024 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -4.159 7.123 11.288 1.00 0.00 C ATOM 1854 CZ PHE A 120 -3.251 8.016 11.843 1.00 0.00 C ATOM 0 H PHE A 120 -3.963 7.000 5.190 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.103 8.813 6.649 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.443 8.678 7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.381 6.928 7.343 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -2.006 9.382 9.005 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.007 6.354 9.478 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.751 9.503 11.460 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.751 6.486 11.928 1.00 0.00 H new ATOM 0 HZ PHE A 120 -3.152 8.083 12.916 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.249 7.132 6.697 1.00 0.00 N ATOM 1865 CA LYS A 121 0.883 6.174 6.779 1.00 0.00 C ATOM 1866 C LYS A 121 1.744 6.503 8.028 1.00 0.00 C ATOM 1867 O LYS A 121 2.521 7.463 8.029 1.00 0.00 O ATOM 1868 CB LYS A 121 1.631 6.207 5.419 1.00 0.00 C ATOM 1869 CG LYS A 121 2.695 5.103 5.235 1.00 0.00 C ATOM 1870 CD LYS A 121 3.086 4.818 3.765 1.00 0.00 C ATOM 1871 CE LYS A 121 3.794 5.947 2.991 1.00 0.00 C ATOM 1872 NZ LYS A 121 5.163 6.208 3.470 1.00 0.00 N ATOM 0 H LYS A 121 0.037 8.088 6.484 1.00 0.00 H new ATOM 0 HA LYS A 121 0.561 5.143 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 121 0.899 6.123 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.114 7.178 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.592 5.386 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.323 4.181 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 121 3.734 3.942 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 121 2.180 4.552 3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 121 3.829 5.687 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.206 6.861 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.392 7.214 3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.229 5.969 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.836 5.625 2.932 1.00 0.00 H new ATOM 1886 N ARG A 122 1.581 5.685 9.088 1.00 0.00 N ATOM 1887 CA ARG A 122 2.300 5.858 10.379 1.00 0.00 C ATOM 1888 C ARG A 122 3.655 5.099 10.317 1.00 0.00 C ATOM 1889 O ARG A 122 3.698 3.867 10.327 1.00 0.00 O ATOM 1890 CB ARG A 122 1.421 5.344 11.557 1.00 0.00 C ATOM 1891 CG ARG A 122 0.443 6.395 12.128 1.00 0.00 C ATOM 1892 CD ARG A 122 -0.264 5.923 13.415 1.00 0.00 C ATOM 1893 NE ARG A 122 -0.838 7.069 14.162 1.00 0.00 N ATOM 1894 CZ ARG A 122 -1.727 6.960 15.167 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -2.261 5.809 15.568 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -2.097 8.064 15.791 1.00 0.00 N ATOM 0 H ARG A 122 0.949 4.885 9.079 1.00 0.00 H new ATOM 0 HA ARG A 122 2.499 6.916 10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.850 4.480 11.218 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.074 5.000 12.359 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.988 7.316 12.336 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.307 6.633 11.374 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.055 5.218 13.161 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.445 5.391 14.049 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.538 8.007 13.895 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.001 4.938 15.106 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -2.930 5.798 16.338 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -1.711 8.964 15.507 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.769 8.016 16.557 1.00 0.00 H new ATOM 1910 N ILE A 123 4.751 5.872 10.256 1.00 0.00 N ATOM 1911 CA ILE A 123 6.129 5.348 10.038 1.00 0.00 C ATOM 1912 C ILE A 123 6.794 5.363 11.448 1.00 0.00 C ATOM 1913 O ILE A 123 7.129 6.435 11.959 1.00 0.00 O ATOM 1914 CB ILE A 123 6.874 6.231 8.970 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.159 6.308 7.580 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.341 5.787 8.754 1.00 0.00 C ATOM 1917 CD1 ILE A 123 6.513 7.549 6.745 1.00 0.00 C ATOM 0 H ILE A 123 4.717 6.886 10.356 1.00 0.00 H new ATOM 0 HA ILE A 123 6.156 4.337 9.631 1.00 0.00 H new ATOM 0 HB ILE A 123 6.852 7.230 9.406 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.412 5.416 7.006 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.081 6.289 7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.809 6.429 8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.887 5.865 9.694 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.361 4.754 8.408 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.972 7.518 5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.233 8.448 7.294 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.585 7.562 6.549 1.00 0.00 H new ATOM 1929 N SER A 124 6.942 4.183 12.076 1.00 0.00 N ATOM 1930 CA SER A 124 7.268 4.073 13.526 1.00 0.00 C ATOM 1931 C SER A 124 8.636 3.367 13.721 1.00 0.00 C ATOM 1932 O SER A 124 8.753 2.146 13.602 1.00 0.00 O ATOM 1933 CB SER A 124 6.106 3.344 14.244 1.00 0.00 C ATOM 1934 OG SER A 124 4.938 4.154 14.300 1.00 0.00 O ATOM 0 H SER A 124 6.842 3.283 11.607 1.00 0.00 H new ATOM 0 HA SER A 124 7.370 5.063 13.972 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.881 2.414 13.722 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.413 3.076 15.255 1.00 0.00 H new ATOM 0 HG SER A 124 4.222 3.665 14.757 1.00 0.00 H new ATOM 1940 N LYS A 125 9.673 4.161 14.045 1.00 0.00 N ATOM 1941 CA LYS A 125 11.057 3.662 14.273 1.00 0.00 C ATOM 1942 C LYS A 125 11.194 3.118 15.725 1.00 0.00 C ATOM 1943 O LYS A 125 10.751 3.765 16.681 1.00 0.00 O ATOM 1944 CB LYS A 125 12.031 4.832 13.949 1.00 0.00 C ATOM 1945 CG LYS A 125 13.534 4.488 13.793 1.00 0.00 C ATOM 1946 CD LYS A 125 14.395 4.401 15.077 1.00 0.00 C ATOM 1947 CE LYS A 125 14.531 5.685 15.921 1.00 0.00 C ATOM 1948 NZ LYS A 125 15.271 6.764 15.240 1.00 0.00 N ATOM 0 H LYS A 125 9.583 5.171 14.158 1.00 0.00 H new ATOM 0 HA LYS A 125 11.303 2.823 13.622 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.696 5.303 13.025 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.936 5.577 14.739 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.606 3.531 13.277 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.982 5.237 13.140 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.976 3.621 15.713 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.396 4.076 14.792 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.536 6.046 16.181 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.036 5.443 16.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.325 7.595 15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.232 6.437 15.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.779 7.021 14.361 1.00 0.00 H new ATOM 1962 N ARG A 126 11.814 1.928 15.871 1.00 0.00 N ATOM 1963 CA ARG A 126 11.885 1.192 17.166 1.00 0.00 C ATOM 1964 C ARG A 126 12.796 1.922 18.199 1.00 0.00 C ATOM 1965 O ARG A 126 14.025 1.888 18.093 1.00 0.00 O ATOM 1966 CB ARG A 126 12.290 -0.286 16.882 1.00 0.00 C ATOM 1967 CG ARG A 126 11.894 -1.333 17.948 1.00 0.00 C ATOM 1968 CD ARG A 126 12.841 -1.419 19.156 1.00 0.00 C ATOM 1969 NE ARG A 126 12.357 -2.414 20.143 1.00 0.00 N ATOM 1970 CZ ARG A 126 12.845 -2.548 21.391 1.00 0.00 C ATOM 1971 NH1 ARG A 126 13.843 -1.818 21.885 1.00 0.00 N ATOM 1972 NH2 ARG A 126 12.301 -3.462 22.175 1.00 0.00 N ATOM 0 H ARG A 126 12.280 1.446 15.102 1.00 0.00 H new ATOM 0 HA ARG A 126 10.905 1.175 17.643 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.846 -0.584 15.932 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.372 -0.323 16.754 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.891 -1.103 18.307 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.845 -2.313 17.473 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.841 -1.693 18.819 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.921 -0.441 19.630 1.00 0.00 H new ATOM 0 HE ARG A 126 11.603 -3.039 19.857 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.287 -1.104 21.307 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.163 -1.973 22.841 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.535 -4.040 21.829 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.647 -3.589 23.126 1.00 0.00 H new ATOM 1986 N ILE A 127 12.153 2.630 19.158 1.00 0.00 N ATOM 1987 CA ILE A 127 12.810 3.577 20.108 1.00 0.00 C ATOM 1988 C ILE A 127 13.415 4.767 19.326 1.00 0.00 C ATOM 1989 O ILE A 127 12.707 5.688 18.916 1.00 0.00 O ATOM 1990 CB ILE A 127 13.774 2.921 21.164 1.00 0.00 C ATOM 1991 CG1 ILE A 127 13.136 1.770 22.001 1.00 0.00 C ATOM 1992 CG2 ILE A 127 14.449 3.939 22.119 1.00 0.00 C ATOM 1993 CD1 ILE A 127 11.922 2.118 22.879 1.00 0.00 C ATOM 0 H ILE A 127 11.145 2.562 19.301 1.00 0.00 H new ATOM 0 HA ILE A 127 12.028 3.968 20.760 1.00 0.00 H new ATOM 0 HB ILE A 127 14.545 2.480 20.532 1.00 0.00 H new ATOM 0 HG12 ILE A 127 12.837 0.979 21.313 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.910 1.355 22.647 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.098 3.409 22.816 1.00 0.00 H new ATOM 0 HG22 ILE A 127 15.042 4.645 21.538 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.683 4.479 22.675 1.00 0.00 H new ATOM 0 HD11 ILE A 127 11.584 1.224 23.403 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.205 2.879 23.606 1.00 0.00 H new ATOM 0 HD13 ILE A 127 11.116 2.498 22.251 1.00 0.00 H new TER 2005 ILE A 127