USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 716 hydrogens (11 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 NoAdj-H: B 238 NLE HN2 : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD NoAdj-H: B 238 NLE H : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD Set 1.1: A 57 TYR OH : rot -140:sc= 1.02 USER MOD Set 1.2: A 106 ASN : amide:sc= 0.565 K(o=1.6,f=-2.9!) USER MOD Set 2.1: A 49 THR OG1 : rot -55:sc= 0.277 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.0809 K(o=0.2,f=-3.8!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc=-0.000228 X(o=-0.00023,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00963 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0951 X(o=-0.095,f=-0.1) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 63 THR OG1 : rot 151:sc= 0.00438 USER MOD Single : A 66 GLN : amide:sc= -0.0063 X(o=-0.0063,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -1.68 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.1!) USER MOD Single : A 92 LYS NZ :NH3+ -167:sc= 0.89 (180deg=0.779) USER MOD Single : A 93 TYR OH : rot 0:sc= -0.716 USER MOD Single : A 94 ASN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 95 THR OG1 : rot -131:sc= -1.93! USER MOD Single : A 96 THR OG1 : rot -56:sc= 0.138 USER MOD Single : A 98 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.7!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 148:sc= -0.487 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-0.29) USER MOD Single : B 229 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 232 HIS : no HD1:sc= -0.238 K(o=-0.24,f=-0.75) USER MOD Single : B 233 LYS NZ :NH3+ -142:sc= -15.9! (180deg=-21.5!) USER MOD Single : B 234 ASN : amide:sc= -1.33 K(o=-1.3,f=-5.9!) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -4.903 7.007 -9.420 1.00 0.00 N ATOM 2 CA TYR A 44 -5.653 7.792 -8.396 1.00 0.00 C ATOM 3 C TYR A 44 -5.966 6.928 -7.167 1.00 0.00 C ATOM 4 O TYR A 44 -6.556 5.857 -7.294 1.00 0.00 O ATOM 5 CB TYR A 44 -6.948 8.325 -9.038 1.00 0.00 C ATOM 6 CG TYR A 44 -7.767 7.274 -9.764 1.00 0.00 C ATOM 7 CD1 TYR A 44 -7.563 7.010 -11.115 1.00 0.00 C ATOM 8 CD2 TYR A 44 -8.748 6.552 -9.098 1.00 0.00 C ATOM 9 CE1 TYR A 44 -8.314 6.054 -11.777 1.00 0.00 C ATOM 10 CE2 TYR A 44 -9.501 5.595 -9.753 1.00 0.00 C ATOM 11 CZ TYR A 44 -9.280 5.351 -11.091 1.00 0.00 C ATOM 12 OH TYR A 44 -10.029 4.403 -11.749 1.00 0.00 O ATOM 0 HA TYR A 44 -5.043 8.629 -8.056 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.565 8.776 -8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.691 9.117 -9.741 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.807 7.560 -11.656 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.926 6.741 -8.050 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.144 5.860 -12.826 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.259 5.041 -9.218 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.665 3.997 -11.124 1.00 0.00 H new ATOM 22 N CYS A 45 -5.548 7.381 -5.979 1.00 0.00 N ATOM 23 CA CYS A 45 -5.786 6.619 -4.754 1.00 0.00 C ATOM 24 C CYS A 45 -6.743 7.338 -3.801 1.00 0.00 C ATOM 25 O CYS A 45 -7.437 6.692 -3.021 1.00 0.00 O ATOM 26 CB CYS A 45 -4.464 6.316 -4.046 1.00 0.00 C ATOM 27 SG CYS A 45 -4.504 4.808 -3.024 1.00 0.00 S ATOM 0 H CYS A 45 -5.050 8.261 -5.843 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.260 5.682 -5.047 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.677 6.216 -4.794 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.198 7.164 -3.415 1.00 0.00 H new ATOM 32 N HIS A 46 -6.777 8.670 -3.862 1.00 0.00 N ATOM 33 CA HIS A 46 -7.658 9.450 -2.991 1.00 0.00 C ATOM 34 C HIS A 46 -8.808 10.083 -3.784 1.00 0.00 C ATOM 35 O HIS A 46 -9.967 9.986 -3.387 1.00 0.00 O ATOM 36 CB HIS A 46 -6.860 10.527 -2.253 1.00 0.00 C ATOM 37 CG HIS A 46 -5.596 10.015 -1.636 1.00 0.00 C ATOM 38 ND1 HIS A 46 -5.572 9.239 -0.498 1.00 0.00 N ATOM 39 CD2 HIS A 46 -4.306 10.175 -2.007 1.00 0.00 C ATOM 40 CE1 HIS A 46 -4.320 8.947 -0.191 1.00 0.00 C ATOM 41 NE2 HIS A 46 -3.530 9.504 -1.090 1.00 0.00 N ATOM 0 H HIS A 46 -6.210 9.228 -4.500 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.093 8.770 -2.258 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.616 11.329 -2.950 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.486 10.962 -1.473 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.950 10.727 -2.864 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.998 8.354 0.652 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.512 9.446 -1.103 1.00 0.00 H new ATOM 50 N ARG A 47 -8.476 10.726 -4.905 1.00 0.00 N ATOM 51 CA ARG A 47 -9.483 11.370 -5.754 1.00 0.00 C ATOM 52 C ARG A 47 -10.020 10.394 -6.804 1.00 0.00 C ATOM 53 O ARG A 47 -9.381 9.384 -7.104 1.00 0.00 O ATOM 54 CB ARG A 47 -8.899 12.609 -6.449 1.00 0.00 C ATOM 55 CG ARG A 47 -7.888 13.385 -5.612 1.00 0.00 C ATOM 56 CD ARG A 47 -8.566 14.327 -4.633 1.00 0.00 C ATOM 57 NE ARG A 47 -7.743 15.512 -4.366 1.00 0.00 N ATOM 58 CZ ARG A 47 -8.150 16.567 -3.676 1.00 0.00 C ATOM 59 NH1 ARG A 47 -9.361 16.601 -3.159 1.00 0.00 N ATOM 60 NH2 ARG A 47 -7.337 17.588 -3.501 1.00 0.00 N ATOM 0 H ARG A 47 -7.519 10.815 -5.247 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.306 11.681 -5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.420 12.298 -7.377 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.716 13.277 -6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.257 12.685 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.234 13.956 -6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.531 14.636 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.763 13.802 -3.698 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.793 15.524 -4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.993 15.811 -3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.667 17.417 -2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.397 17.565 -3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.647 18.402 -2.970 1.00 0.00 H new ATOM 74 N THR A 48 -11.207 10.701 -7.348 1.00 0.00 N ATOM 75 CA THR A 48 -11.868 9.864 -8.369 1.00 0.00 C ATOM 76 C THR A 48 -12.692 8.738 -7.731 1.00 0.00 C ATOM 77 O THR A 48 -13.733 8.351 -8.260 1.00 0.00 O ATOM 78 CB THR A 48 -10.857 9.281 -9.367 1.00 0.00 C ATOM 79 OG1 THR A 48 -9.978 10.289 -9.848 1.00 0.00 O ATOM 80 CG2 THR A 48 -11.512 8.633 -10.568 1.00 0.00 C ATOM 0 H THR A 48 -11.738 11.535 -7.095 1.00 0.00 H new ATOM 0 HA THR A 48 -12.548 10.517 -8.916 1.00 0.00 H new ATOM 0 HB THR A 48 -10.312 8.519 -8.811 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.342 9.894 -10.481 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.743 8.241 -11.234 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.155 7.818 -10.236 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.110 9.373 -11.100 1.00 0.00 H new ATOM 88 N THR A 49 -12.229 8.229 -6.589 1.00 0.00 N ATOM 89 CA THR A 49 -12.934 7.164 -5.869 1.00 0.00 C ATOM 90 C THR A 49 -12.896 7.434 -4.360 1.00 0.00 C ATOM 91 O THR A 49 -12.489 6.585 -3.565 1.00 0.00 O ATOM 92 CB THR A 49 -12.336 5.785 -6.210 1.00 0.00 C ATOM 93 OG1 THR A 49 -13.059 4.740 -5.576 1.00 0.00 O ATOM 94 CG2 THR A 49 -10.881 5.633 -5.815 1.00 0.00 C ATOM 0 H THR A 49 -11.366 8.537 -6.140 1.00 0.00 H new ATOM 0 HA THR A 49 -13.977 7.155 -6.186 1.00 0.00 H new ATOM 0 HB THR A 49 -12.410 5.717 -7.295 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.091 4.903 -4.610 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.532 4.637 -6.087 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.283 6.381 -6.335 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.780 5.771 -4.739 1.00 0.00 H new ATOM 102 N ILE A 50 -13.318 8.640 -3.980 1.00 0.00 N ATOM 103 CA ILE A 50 -13.332 9.054 -2.574 1.00 0.00 C ATOM 104 C ILE A 50 -14.710 8.856 -1.935 1.00 0.00 C ATOM 105 O ILE A 50 -14.809 8.524 -0.753 1.00 0.00 O ATOM 106 CB ILE A 50 -12.900 10.534 -2.424 1.00 0.00 C ATOM 107 CG1 ILE A 50 -12.612 10.868 -0.958 1.00 0.00 C ATOM 108 CG2 ILE A 50 -13.961 11.475 -2.979 1.00 0.00 C ATOM 109 CD1 ILE A 50 -11.335 11.656 -0.757 1.00 0.00 C ATOM 0 H ILE A 50 -13.656 9.351 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.617 8.418 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.985 10.673 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.448 11.437 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.551 9.941 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.630 12.507 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.117 11.264 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.896 11.329 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.195 11.857 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.489 11.080 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.400 12.599 -1.299 1.00 0.00 H new ATOM 121 N GLY A 51 -15.767 9.068 -2.721 1.00 0.00 N ATOM 122 CA GLY A 51 -17.120 8.910 -2.210 1.00 0.00 C ATOM 123 C GLY A 51 -17.801 7.659 -2.729 1.00 0.00 C ATOM 124 O GLY A 51 -17.718 6.602 -2.106 1.00 0.00 O ATOM 0 H GLY A 51 -15.709 9.346 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.091 8.877 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.712 9.782 -2.487 1.00 0.00 H new ATOM 128 N ASN A 52 -18.473 7.780 -3.877 1.00 0.00 N ATOM 129 CA ASN A 52 -19.178 6.656 -4.495 1.00 0.00 C ATOM 130 C ASN A 52 -20.301 6.125 -3.588 1.00 0.00 C ATOM 131 O ASN A 52 -20.487 6.601 -2.467 1.00 0.00 O ATOM 132 CB ASN A 52 -18.188 5.536 -4.834 1.00 0.00 C ATOM 133 CG ASN A 52 -16.937 6.039 -5.535 1.00 0.00 C ATOM 134 OD1 ASN A 52 -15.902 6.259 -4.909 1.00 0.00 O ATOM 135 ND2 ASN A 52 -17.023 6.221 -6.845 1.00 0.00 N ATOM 0 H ASN A 52 -18.543 8.653 -4.400 1.00 0.00 H new ATOM 0 HA ASN A 52 -19.640 7.014 -5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.901 5.022 -3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.683 4.801 -5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.213 6.554 -7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.899 6.028 -7.330 1.00 0.00 H new ATOM 142 N PHE A 53 -21.056 5.143 -4.087 1.00 0.00 N ATOM 143 CA PHE A 53 -22.161 4.558 -3.327 1.00 0.00 C ATOM 144 C PHE A 53 -22.401 3.095 -3.729 1.00 0.00 C ATOM 145 O PHE A 53 -21.678 2.542 -4.560 1.00 0.00 O ATOM 146 CB PHE A 53 -23.434 5.380 -3.549 1.00 0.00 C ATOM 147 CG PHE A 53 -23.557 6.569 -2.634 1.00 0.00 C ATOM 148 CD1 PHE A 53 -23.885 6.403 -1.298 1.00 0.00 C ATOM 149 CD2 PHE A 53 -23.343 7.853 -3.112 1.00 0.00 C ATOM 150 CE1 PHE A 53 -23.996 7.493 -0.455 1.00 0.00 C ATOM 151 CE2 PHE A 53 -23.454 8.947 -2.274 1.00 0.00 C ATOM 152 CZ PHE A 53 -23.781 8.767 -0.944 1.00 0.00 C ATOM 0 H PHE A 53 -20.922 4.737 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 53 -21.896 4.576 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.457 5.725 -4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.301 4.734 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -24.056 5.410 -0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -23.087 8.000 -4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -24.250 7.349 0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.285 9.942 -2.659 1.00 0.00 H new ATOM 0 HZ PHE A 53 -23.868 9.620 -0.288 1.00 0.00 H new ATOM 162 N SER A 54 -23.430 2.482 -3.136 1.00 0.00 N ATOM 163 CA SER A 54 -23.793 1.085 -3.423 1.00 0.00 C ATOM 164 C SER A 54 -22.723 0.099 -2.933 1.00 0.00 C ATOM 165 O SER A 54 -22.081 -0.590 -3.729 1.00 0.00 O ATOM 166 CB SER A 54 -24.052 0.891 -4.923 1.00 0.00 C ATOM 167 OG SER A 54 -25.398 0.505 -5.157 1.00 0.00 O ATOM 0 H SER A 54 -24.033 2.933 -2.448 1.00 0.00 H new ATOM 0 HA SER A 54 -24.710 0.871 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 54 -23.837 1.817 -5.456 1.00 0.00 H new ATOM 0 HB3 SER A 54 -23.377 0.131 -5.318 1.00 0.00 H new ATOM 0 HG SER A 54 -25.542 0.388 -6.119 1.00 0.00 H new ATOM 173 N GLY A 55 -22.548 0.031 -1.614 1.00 0.00 N ATOM 174 CA GLY A 55 -21.566 -0.879 -1.031 1.00 0.00 C ATOM 175 C GLY A 55 -21.589 -0.878 0.487 1.00 0.00 C ATOM 176 O GLY A 55 -20.606 -0.496 1.121 1.00 0.00 O ATOM 0 H GLY A 55 -23.067 0.589 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -21.756 -1.890 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.570 -0.600 -1.375 1.00 0.00 H new ATOM 180 N PRO A 56 -22.712 -1.303 1.104 1.00 0.00 N ATOM 181 CA PRO A 56 -22.848 -1.342 2.570 1.00 0.00 C ATOM 182 C PRO A 56 -22.071 -2.491 3.224 1.00 0.00 C ATOM 183 O PRO A 56 -21.835 -2.481 4.431 1.00 0.00 O ATOM 184 CB PRO A 56 -24.355 -1.532 2.769 1.00 0.00 C ATOM 185 CG PRO A 56 -24.813 -2.254 1.548 1.00 0.00 C ATOM 186 CD PRO A 56 -23.936 -1.775 0.421 1.00 0.00 C ATOM 0 HA PRO A 56 -22.440 -0.445 3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -24.565 -2.107 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -24.864 -0.574 2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.725 -3.333 1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.862 -2.042 1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -23.717 -2.577 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -24.413 -0.974 -0.145 1.00 0.00 H new ATOM 194 N TYR A 57 -21.690 -3.481 2.420 1.00 0.00 N ATOM 195 CA TYR A 57 -20.957 -4.651 2.911 1.00 0.00 C ATOM 196 C TYR A 57 -20.249 -5.376 1.760 1.00 0.00 C ATOM 197 O TYR A 57 -20.269 -4.908 0.620 1.00 0.00 O ATOM 198 CB TYR A 57 -21.942 -5.601 3.603 1.00 0.00 C ATOM 199 CG TYR A 57 -21.541 -6.045 4.995 1.00 0.00 C ATOM 200 CD1 TYR A 57 -21.560 -5.157 6.066 1.00 0.00 C ATOM 201 CD2 TYR A 57 -21.177 -7.363 5.244 1.00 0.00 C ATOM 202 CE1 TYR A 57 -21.220 -5.572 7.342 1.00 0.00 C ATOM 203 CE2 TYR A 57 -20.844 -7.783 6.516 1.00 0.00 C ATOM 204 CZ TYR A 57 -20.867 -6.886 7.561 1.00 0.00 C ATOM 205 OH TYR A 57 -20.537 -7.308 8.828 1.00 0.00 O ATOM 0 H TYR A 57 -21.877 -3.498 1.418 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.197 -4.323 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -22.914 -5.111 3.661 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -22.068 -6.486 2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -21.844 -4.129 5.899 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.154 -8.071 4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -21.231 -4.869 8.162 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -20.566 -8.812 6.691 1.00 0.00 H new ATOM 0 HH TYR A 57 -19.781 -7.929 8.779 1.00 0.00 H new ATOM 215 N THR A 58 -19.637 -6.522 2.079 1.00 0.00 N ATOM 216 CA THR A 58 -18.921 -7.356 1.097 1.00 0.00 C ATOM 217 C THR A 58 -18.219 -6.539 0.003 1.00 0.00 C ATOM 218 O THR A 58 -18.406 -6.793 -1.188 1.00 0.00 O ATOM 219 CB THR A 58 -19.878 -8.374 0.459 1.00 0.00 C ATOM 220 OG1 THR A 58 -21.118 -7.774 0.117 1.00 0.00 O ATOM 221 CG2 THR A 58 -20.178 -9.548 1.360 1.00 0.00 C ATOM 0 H THR A 58 -19.622 -6.901 3.026 1.00 0.00 H new ATOM 0 HA THR A 58 -18.140 -7.878 1.650 1.00 0.00 H new ATOM 0 HB THR A 58 -19.359 -8.730 -0.431 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.706 -8.445 -0.288 1.00 0.00 H new ATOM 0 HG21 THR A 58 -20.859 -10.231 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 58 -19.251 -10.070 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 58 -20.641 -9.191 2.280 1.00 0.00 H new ATOM 229 N TYR A 59 -17.387 -5.579 0.411 1.00 0.00 N ATOM 230 CA TYR A 59 -16.637 -4.747 -0.540 1.00 0.00 C ATOM 231 C TYR A 59 -15.353 -4.201 0.089 1.00 0.00 C ATOM 232 O TYR A 59 -15.301 -3.964 1.295 1.00 0.00 O ATOM 233 CB TYR A 59 -17.503 -3.581 -1.031 1.00 0.00 C ATOM 234 CG TYR A 59 -18.210 -3.851 -2.341 1.00 0.00 C ATOM 235 CD1 TYR A 59 -17.519 -3.828 -3.547 1.00 0.00 C ATOM 236 CD2 TYR A 59 -19.569 -4.129 -2.369 1.00 0.00 C ATOM 237 CE1 TYR A 59 -18.167 -4.074 -4.744 1.00 0.00 C ATOM 238 CE2 TYR A 59 -20.222 -4.376 -3.562 1.00 0.00 C ATOM 239 CZ TYR A 59 -19.518 -4.348 -4.745 1.00 0.00 C ATOM 240 OH TYR A 59 -20.165 -4.594 -5.934 1.00 0.00 O ATOM 0 H TYR A 59 -17.214 -5.356 1.391 1.00 0.00 H new ATOM 0 HA TYR A 59 -16.366 -5.379 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -18.247 -3.348 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -16.875 -2.697 -1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -16.460 -3.615 -3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.126 -4.153 -1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -17.617 -4.052 -5.673 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.281 -4.590 -3.566 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.113 -4.771 -5.760 1.00 0.00 H new ATOM 250 N CYS A 60 -14.327 -3.983 -0.736 1.00 0.00 N ATOM 251 CA CYS A 60 -13.054 -3.439 -0.252 1.00 0.00 C ATOM 252 C CYS A 60 -12.719 -2.144 -0.983 1.00 0.00 C ATOM 253 O CYS A 60 -12.717 -2.105 -2.213 1.00 0.00 O ATOM 254 CB CYS A 60 -11.907 -4.440 -0.432 1.00 0.00 C ATOM 255 SG CYS A 60 -11.353 -5.229 1.115 1.00 0.00 S ATOM 0 H CYS A 60 -14.351 -4.173 -1.738 1.00 0.00 H new ATOM 0 HA CYS A 60 -13.169 -3.239 0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.223 -5.216 -1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.060 -3.927 -0.888 1.00 0.00 H new ATOM 260 N ASN A 61 -12.438 -1.082 -0.234 1.00 0.00 N ATOM 261 CA ASN A 61 -12.109 0.208 -0.840 1.00 0.00 C ATOM 262 C ASN A 61 -10.623 0.544 -0.682 1.00 0.00 C ATOM 263 O ASN A 61 -9.886 -0.162 0.019 1.00 0.00 O ATOM 264 CB ASN A 61 -12.978 1.315 -0.228 1.00 0.00 C ATOM 265 CG ASN A 61 -12.851 1.393 1.281 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.609 0.759 2.010 1.00 0.00 O ATOM 267 ND2 ASN A 61 -11.888 2.168 1.757 1.00 0.00 N ATOM 0 H ASN A 61 -12.431 -1.086 0.786 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.318 0.139 -1.908 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.696 2.274 -0.662 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.021 1.140 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.754 2.255 2.764 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.280 2.678 1.116 1.00 0.00 H new ATOM 274 N THR A 62 -10.194 1.627 -1.344 1.00 0.00 N ATOM 275 CA THR A 62 -8.801 2.084 -1.289 1.00 0.00 C ATOM 276 C THR A 62 -8.273 2.076 0.145 1.00 0.00 C ATOM 277 O THR A 62 -8.957 2.522 1.068 1.00 0.00 O ATOM 278 CB THR A 62 -8.677 3.496 -1.873 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.854 4.245 -1.624 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.436 3.514 -3.365 1.00 0.00 C ATOM 0 H THR A 62 -10.798 2.206 -1.928 1.00 0.00 H new ATOM 0 HA THR A 62 -8.203 1.393 -1.883 1.00 0.00 H new ATOM 0 HB THR A 62 -7.811 3.934 -1.377 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.756 5.144 -2.002 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.359 4.546 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.509 2.986 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.266 3.023 -3.874 1.00 0.00 H new ATOM 288 N THR A 63 -7.063 1.558 0.331 1.00 0.00 N ATOM 289 CA THR A 63 -6.463 1.481 1.661 1.00 0.00 C ATOM 290 C THR A 63 -4.968 1.806 1.614 1.00 0.00 C ATOM 291 O THR A 63 -4.288 1.511 0.633 1.00 0.00 O ATOM 292 CB THR A 63 -6.726 0.083 2.252 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.389 0.182 3.499 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.490 -0.769 2.463 1.00 0.00 C ATOM 0 H THR A 63 -6.480 1.186 -0.419 1.00 0.00 H new ATOM 0 HA THR A 63 -6.922 2.228 2.309 1.00 0.00 H new ATOM 0 HB THR A 63 -7.340 -0.409 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.943 -0.614 3.639 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.780 -1.733 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.988 -0.925 1.508 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.812 -0.263 3.151 1.00 0.00 H new ATOM 302 N LEU A 64 -4.460 2.419 2.680 1.00 0.00 N ATOM 303 CA LEU A 64 -3.042 2.784 2.756 1.00 0.00 C ATOM 304 C LEU A 64 -2.343 2.050 3.902 1.00 0.00 C ATOM 305 O LEU A 64 -2.989 1.380 4.711 1.00 0.00 O ATOM 306 CB LEU A 64 -2.893 4.297 2.938 1.00 0.00 C ATOM 307 CG LEU A 64 -1.840 4.961 2.049 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.496 5.928 1.078 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.805 5.685 2.898 1.00 0.00 C ATOM 0 H LEU A 64 -5.005 2.674 3.503 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.569 2.487 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.857 4.767 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.645 4.498 3.980 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.335 4.183 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.732 6.391 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.202 5.387 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.026 6.700 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.064 6.151 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.297 6.452 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.312 4.971 3.558 1.00 0.00 H new ATOM 321 N ASP A 65 -1.020 2.189 3.969 1.00 0.00 N ATOM 322 CA ASP A 65 -0.233 1.547 5.023 1.00 0.00 C ATOM 323 C ASP A 65 1.067 2.325 5.310 1.00 0.00 C ATOM 324 O ASP A 65 1.312 3.378 4.713 1.00 0.00 O ATOM 325 CB ASP A 65 0.054 0.081 4.651 1.00 0.00 C ATOM 326 CG ASP A 65 0.757 -0.087 3.319 1.00 0.00 C ATOM 327 OD1 ASP A 65 1.820 0.538 3.117 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.251 -0.859 2.484 1.00 0.00 O ATOM 0 H ASP A 65 -0.471 2.739 3.308 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.817 1.558 5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.665 -0.369 5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.887 -0.468 4.626 1.00 0.00 H new ATOM 333 N GLN A 66 1.886 1.816 6.240 1.00 0.00 N ATOM 334 CA GLN A 66 3.149 2.472 6.623 1.00 0.00 C ATOM 335 C GLN A 66 4.163 2.506 5.477 1.00 0.00 C ATOM 336 O GLN A 66 4.789 3.535 5.226 1.00 0.00 O ATOM 337 CB GLN A 66 3.746 1.778 7.853 1.00 0.00 C ATOM 338 CG GLN A 66 4.556 2.711 8.746 1.00 0.00 C ATOM 339 CD GLN A 66 3.688 3.558 9.659 1.00 0.00 C ATOM 340 OE1 GLN A 66 3.652 4.780 9.539 1.00 0.00 O ATOM 341 NE2 GLN A 66 2.983 2.916 10.579 1.00 0.00 N ATOM 0 H GLN A 66 1.698 0.949 6.744 1.00 0.00 H new ATOM 0 HA GLN A 66 2.918 3.509 6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.939 1.337 8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.385 0.959 7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.243 2.120 9.352 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.164 3.366 8.122 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.039 1.900 10.648 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.384 3.438 11.219 1.00 0.00 H new ATOM 350 N ILE A 67 4.311 1.386 4.785 1.00 0.00 N ATOM 351 CA ILE A 67 5.238 1.281 3.657 1.00 0.00 C ATOM 352 C ILE A 67 4.813 2.200 2.502 1.00 0.00 C ATOM 353 O ILE A 67 5.659 2.683 1.743 1.00 0.00 O ATOM 354 CB ILE A 67 5.330 -0.181 3.154 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.332 -0.973 3.990 1.00 0.00 C ATOM 356 CG2 ILE A 67 5.722 -0.237 1.687 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.185 -2.472 3.849 1.00 0.00 C ATOM 0 H ILE A 67 3.798 0.527 4.984 1.00 0.00 H new ATOM 0 HA ILE A 67 6.220 1.597 4.010 1.00 0.00 H new ATOM 0 HB ILE A 67 4.342 -0.629 3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.343 -0.686 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.213 -0.701 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.778 -1.277 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.976 0.288 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.694 0.238 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.929 -2.971 4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.186 -2.771 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.334 -2.756 2.807 1.00 0.00 H new ATOM 369 N GLY A 68 3.501 2.428 2.378 1.00 0.00 N ATOM 370 CA GLY A 68 2.973 3.280 1.315 1.00 0.00 C ATOM 371 C GLY A 68 2.412 2.502 0.126 1.00 0.00 C ATOM 372 O GLY A 68 2.324 3.037 -0.981 1.00 0.00 O ATOM 0 H GLY A 68 2.792 2.036 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.188 3.914 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.765 3.941 0.964 1.00 0.00 H new ATOM 376 N THR A 69 2.026 1.242 0.347 1.00 0.00 N ATOM 377 CA THR A 69 1.473 0.401 -0.726 1.00 0.00 C ATOM 378 C THR A 69 -0.028 0.655 -0.926 1.00 0.00 C ATOM 379 O THR A 69 -0.852 -0.202 -0.624 1.00 0.00 O ATOM 380 CB THR A 69 1.737 -1.086 -0.417 1.00 0.00 C ATOM 381 OG1 THR A 69 3.129 -1.361 -0.378 1.00 0.00 O ATOM 382 CG2 THR A 69 1.126 -2.050 -1.418 1.00 0.00 C ATOM 0 H THR A 69 2.085 0.780 1.255 1.00 0.00 H new ATOM 0 HA THR A 69 1.974 0.666 -1.657 1.00 0.00 H new ATOM 0 HB THR A 69 1.263 -1.244 0.552 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.269 -2.310 -0.179 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.359 -3.074 -1.126 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.044 -1.916 -1.439 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.535 -1.853 -2.409 1.00 0.00 H new ATOM 390 N CYS A 70 -0.373 1.837 -1.450 1.00 0.00 N ATOM 391 CA CYS A 70 -1.780 2.204 -1.705 1.00 0.00 C ATOM 392 C CYS A 70 -2.579 1.021 -2.266 1.00 0.00 C ATOM 393 O CYS A 70 -2.363 0.592 -3.402 1.00 0.00 O ATOM 394 CB CYS A 70 -1.847 3.382 -2.683 1.00 0.00 C ATOM 395 SG CYS A 70 -2.731 4.841 -2.039 1.00 0.00 S ATOM 0 H CYS A 70 0.300 2.559 -1.707 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.225 2.492 -0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.832 3.675 -2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.335 3.051 -3.600 1.00 0.00 H new ATOM 400 N TRP A 71 -3.494 0.499 -1.453 1.00 0.00 N ATOM 401 CA TRP A 71 -4.326 -0.639 -1.833 1.00 0.00 C ATOM 402 C TRP A 71 -5.639 -0.173 -2.467 1.00 0.00 C ATOM 403 O TRP A 71 -6.482 0.416 -1.797 1.00 0.00 O ATOM 404 CB TRP A 71 -4.583 -1.507 -0.597 1.00 0.00 C ATOM 405 CG TRP A 71 -3.314 -2.063 -0.021 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.585 -1.571 1.031 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.609 -3.213 -0.493 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.471 -2.345 1.230 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.464 -3.361 0.310 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.837 -4.133 -1.520 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.549 -4.393 0.117 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.930 -5.157 -1.711 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.797 -5.281 -0.897 1.00 0.00 C ATOM 0 H TRP A 71 -3.679 0.852 -0.514 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.803 -1.233 -2.582 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.095 -0.914 0.161 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.249 -2.328 -0.864 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.849 -0.703 1.616 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.762 -2.190 1.947 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.707 -4.045 -2.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.325 -4.490 0.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.097 -5.874 -2.501 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.105 -6.092 -1.072 1.00 0.00 H new ATOM 424 N PRO A 72 -5.809 -0.410 -3.782 1.00 0.00 N ATOM 425 CA PRO A 72 -7.012 0.014 -4.529 1.00 0.00 C ATOM 426 C PRO A 72 -8.279 -0.799 -4.217 1.00 0.00 C ATOM 427 O PRO A 72 -8.221 -1.856 -3.587 1.00 0.00 O ATOM 428 CB PRO A 72 -6.592 -0.193 -5.986 1.00 0.00 C ATOM 429 CG PRO A 72 -5.596 -1.298 -5.930 1.00 0.00 C ATOM 430 CD PRO A 72 -4.828 -1.082 -4.657 1.00 0.00 C ATOM 0 HA PRO A 72 -7.295 1.034 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.444 -0.458 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.157 0.713 -6.407 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.088 -2.270 -5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.935 -1.275 -6.796 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.485 -2.024 -4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.944 -0.465 -4.819 1.00 0.00 H new ATOM 438 N GLN A 73 -9.427 -0.272 -4.677 1.00 0.00 N ATOM 439 CA GLN A 73 -10.742 -0.903 -4.481 1.00 0.00 C ATOM 440 C GLN A 73 -10.734 -2.394 -4.836 1.00 0.00 C ATOM 441 O GLN A 73 -9.935 -2.851 -5.658 1.00 0.00 O ATOM 442 CB GLN A 73 -11.805 -0.184 -5.328 1.00 0.00 C ATOM 443 CG GLN A 73 -13.031 0.256 -4.536 1.00 0.00 C ATOM 444 CD GLN A 73 -14.341 -0.105 -5.213 1.00 0.00 C ATOM 445 OE1 GLN A 73 -14.561 0.209 -6.380 1.00 0.00 O ATOM 446 NE2 GLN A 73 -15.222 -0.772 -4.483 1.00 0.00 N ATOM 0 H GLN A 73 -9.468 0.605 -5.196 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.982 -0.815 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.353 0.691 -5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.123 -0.846 -6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.001 -0.203 -3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.992 1.335 -4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.004 -1.015 -3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.119 -1.042 -4.887 1.00 0.00 H new ATOM 455 N SER A 74 -11.636 -3.146 -4.204 1.00 0.00 N ATOM 456 CA SER A 74 -11.753 -4.587 -4.433 1.00 0.00 C ATOM 457 C SER A 74 -12.988 -5.161 -3.721 1.00 0.00 C ATOM 458 O SER A 74 -13.915 -4.424 -3.373 1.00 0.00 O ATOM 459 CB SER A 74 -10.477 -5.295 -3.955 1.00 0.00 C ATOM 460 OG SER A 74 -10.568 -5.660 -2.587 1.00 0.00 O ATOM 0 H SER A 74 -12.301 -2.777 -3.524 1.00 0.00 H new ATOM 0 HA SER A 74 -11.876 -4.759 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.305 -6.185 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.619 -4.639 -4.102 1.00 0.00 H new ATOM 0 HG SER A 74 -9.742 -6.110 -2.313 1.00 0.00 H new ATOM 466 N ALA A 75 -12.997 -6.478 -3.505 1.00 0.00 N ATOM 467 CA ALA A 75 -14.117 -7.137 -2.836 1.00 0.00 C ATOM 468 C ALA A 75 -13.642 -8.234 -1.872 1.00 0.00 C ATOM 469 O ALA A 75 -12.463 -8.593 -1.860 1.00 0.00 O ATOM 470 CB ALA A 75 -15.076 -7.696 -3.873 1.00 0.00 C ATOM 0 H ALA A 75 -12.243 -7.106 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.640 -6.394 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.910 -8.187 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.454 -6.884 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.554 -8.419 -4.499 1.00 0.00 H new ATOM 476 N PRO A 76 -14.560 -8.775 -1.040 1.00 0.00 N ATOM 477 CA PRO A 76 -14.235 -9.824 -0.055 1.00 0.00 C ATOM 478 C PRO A 76 -13.781 -11.137 -0.691 1.00 0.00 C ATOM 479 O PRO A 76 -14.253 -11.522 -1.762 1.00 0.00 O ATOM 480 CB PRO A 76 -15.556 -10.032 0.692 1.00 0.00 C ATOM 481 CG PRO A 76 -16.597 -9.566 -0.261 1.00 0.00 C ATOM 482 CD PRO A 76 -15.983 -8.403 -0.981 1.00 0.00 C ATOM 0 HA PRO A 76 -13.401 -9.522 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.701 -11.079 0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.582 -9.460 1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.875 -10.357 -0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.505 -9.269 0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.409 -8.272 -1.976 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -16.135 -7.467 -0.443 1.00 0.00 H new ATOM 490 N GLY A 77 -12.861 -11.818 -0.013 1.00 0.00 N ATOM 491 CA GLY A 77 -12.344 -13.085 -0.504 1.00 0.00 C ATOM 492 C GLY A 77 -11.517 -12.939 -1.772 1.00 0.00 C ATOM 493 O GLY A 77 -11.409 -13.885 -2.555 1.00 0.00 O ATOM 0 H GLY A 77 -12.462 -11.512 0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.732 -13.546 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.177 -13.761 -0.696 1.00 0.00 H new ATOM 497 N ALA A 78 -10.942 -11.753 -1.985 1.00 0.00 N ATOM 498 CA ALA A 78 -10.137 -11.490 -3.175 1.00 0.00 C ATOM 499 C ALA A 78 -8.658 -11.293 -2.833 1.00 0.00 C ATOM 500 O ALA A 78 -8.279 -10.289 -2.219 1.00 0.00 O ATOM 501 CB ALA A 78 -10.679 -10.269 -3.909 1.00 0.00 C ATOM 0 H ALA A 78 -11.020 -10.961 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.206 -12.363 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.074 -10.079 -4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.711 -10.452 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.640 -9.401 -3.250 1.00 0.00 H new ATOM 507 N LEU A 79 -7.826 -12.247 -3.249 1.00 0.00 N ATOM 508 CA LEU A 79 -6.387 -12.170 -3.006 1.00 0.00 C ATOM 509 C LEU A 79 -5.761 -11.076 -3.871 1.00 0.00 C ATOM 510 O LEU A 79 -5.412 -11.309 -5.027 1.00 0.00 O ATOM 511 CB LEU A 79 -5.727 -13.525 -3.296 1.00 0.00 C ATOM 512 CG LEU A 79 -4.447 -13.814 -2.509 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.239 -15.312 -2.366 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.247 -13.177 -3.189 1.00 0.00 C ATOM 0 H LEU A 79 -8.124 -13.081 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.222 -11.920 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.449 -14.314 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.499 -13.578 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.550 -13.381 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.324 -15.500 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.086 -15.748 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.157 -15.764 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.346 -13.393 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.142 -13.582 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.391 -12.098 -3.245 1.00 0.00 H new ATOM 526 N VAL A 80 -5.629 -9.881 -3.302 1.00 0.00 N ATOM 527 CA VAL A 80 -5.052 -8.748 -4.018 1.00 0.00 C ATOM 528 C VAL A 80 -3.537 -8.680 -3.805 1.00 0.00 C ATOM 529 O VAL A 80 -3.059 -8.139 -2.802 1.00 0.00 O ATOM 530 CB VAL A 80 -5.699 -7.418 -3.570 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.930 -6.232 -4.127 1.00 0.00 C ATOM 532 CG2 VAL A 80 -7.155 -7.357 -4.000 1.00 0.00 C ATOM 0 H VAL A 80 -5.915 -9.672 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.254 -8.896 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.660 -7.372 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.402 -5.306 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.902 -6.263 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.933 -6.275 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.591 -6.413 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.217 -7.430 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.703 -8.184 -3.549 1.00 0.00 H new ATOM 542 N GLU A 81 -2.782 -9.237 -4.747 1.00 0.00 N ATOM 543 CA GLU A 81 -1.322 -9.241 -4.649 1.00 0.00 C ATOM 544 C GLU A 81 -0.711 -7.953 -5.212 1.00 0.00 C ATOM 545 O GLU A 81 -1.302 -7.284 -6.063 1.00 0.00 O ATOM 546 CB GLU A 81 -0.738 -10.467 -5.363 1.00 0.00 C ATOM 547 CG GLU A 81 -0.900 -10.441 -6.878 1.00 0.00 C ATOM 548 CD GLU A 81 -2.101 -11.234 -7.346 1.00 0.00 C ATOM 549 OE1 GLU A 81 -3.228 -10.705 -7.256 1.00 0.00 O ATOM 550 OE2 GLU A 81 -1.915 -12.383 -7.795 1.00 0.00 O ATOM 0 H GLU A 81 -3.152 -9.689 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.065 -9.293 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.323 -10.543 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.218 -11.364 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.998 -9.408 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.000 -10.842 -7.343 1.00 0.00 H new ATOM 557 N ARG A 82 0.476 -7.606 -4.720 1.00 0.00 N ATOM 558 CA ARG A 82 1.173 -6.397 -5.164 1.00 0.00 C ATOM 559 C ARG A 82 2.683 -6.525 -4.981 1.00 0.00 C ATOM 560 O ARG A 82 3.147 -7.125 -4.010 1.00 0.00 O ATOM 561 CB ARG A 82 0.669 -5.181 -4.381 1.00 0.00 C ATOM 562 CG ARG A 82 0.682 -3.890 -5.184 1.00 0.00 C ATOM 563 CD ARG A 82 -0.482 -2.994 -4.803 1.00 0.00 C ATOM 564 NE ARG A 82 -1.749 -3.534 -5.299 1.00 0.00 N ATOM 565 CZ ARG A 82 -2.317 -3.186 -6.450 1.00 0.00 C ATOM 566 NH1 ARG A 82 -1.747 -2.294 -7.239 1.00 0.00 N ATOM 567 NH2 ARG A 82 -3.454 -3.745 -6.817 1.00 0.00 N ATOM 0 H ARG A 82 0.977 -8.144 -4.013 1.00 0.00 H new ATOM 0 HA ARG A 82 0.964 -6.266 -6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.347 -5.376 -4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.285 -5.052 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.621 -3.363 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.634 -4.120 -6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.526 -2.892 -3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.325 -1.995 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.229 -4.225 -4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.862 -1.865 -6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.191 -2.034 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.896 -4.443 -6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.891 -3.480 -7.699 1.00 0.00 H new ATOM 581 N PRO A 83 3.483 -5.954 -5.903 1.00 0.00 N ATOM 582 CA PRO A 83 4.941 -6.009 -5.797 1.00 0.00 C ATOM 583 C PRO A 83 5.433 -5.268 -4.557 1.00 0.00 C ATOM 584 O PRO A 83 5.201 -4.066 -4.407 1.00 0.00 O ATOM 585 CB PRO A 83 5.432 -5.326 -7.076 1.00 0.00 C ATOM 586 CG PRO A 83 4.287 -4.486 -7.532 1.00 0.00 C ATOM 587 CD PRO A 83 3.041 -5.204 -7.094 1.00 0.00 C ATOM 0 HA PRO A 83 5.313 -7.029 -5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.315 -4.717 -6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.709 -6.059 -7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.336 -3.489 -7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.304 -4.360 -8.615 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.238 -4.507 -6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.665 -5.869 -7.872 1.00 0.00 H new ATOM 595 N CYS A 84 6.102 -5.994 -3.664 1.00 0.00 N ATOM 596 CA CYS A 84 6.615 -5.393 -2.433 1.00 0.00 C ATOM 597 C CYS A 84 7.684 -4.359 -2.757 1.00 0.00 C ATOM 598 O CYS A 84 8.676 -4.674 -3.417 1.00 0.00 O ATOM 599 CB CYS A 84 7.186 -6.461 -1.488 1.00 0.00 C ATOM 600 SG CYS A 84 8.418 -7.569 -2.247 1.00 0.00 S ATOM 0 H CYS A 84 6.301 -6.989 -3.767 1.00 0.00 H new ATOM 0 HA CYS A 84 5.783 -4.902 -1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.643 -5.963 -0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.363 -7.064 -1.103 1.00 0.00 H new ATOM 605 N PRO A 85 7.506 -3.101 -2.307 1.00 0.00 N ATOM 606 CA PRO A 85 8.475 -2.030 -2.576 1.00 0.00 C ATOM 607 C PRO A 85 9.828 -2.270 -1.905 1.00 0.00 C ATOM 608 O PRO A 85 10.286 -1.469 -1.094 1.00 0.00 O ATOM 609 CB PRO A 85 7.804 -0.782 -2.006 1.00 0.00 C ATOM 610 CG PRO A 85 6.844 -1.297 -0.990 1.00 0.00 C ATOM 611 CD PRO A 85 6.356 -2.616 -1.519 1.00 0.00 C ATOM 0 HA PRO A 85 8.704 -1.956 -3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.535 -0.111 -1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.291 -0.218 -2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.328 -1.419 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.016 -0.603 -0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.099 -3.304 -0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.464 -2.499 -2.135 1.00 0.00 H new ATOM 619 N GLU A 86 10.471 -3.373 -2.265 1.00 0.00 N ATOM 620 CA GLU A 86 11.780 -3.715 -1.719 1.00 0.00 C ATOM 621 C GLU A 86 12.822 -2.696 -2.157 1.00 0.00 C ATOM 622 O GLU A 86 13.780 -2.419 -1.428 1.00 0.00 O ATOM 623 CB GLU A 86 12.198 -5.109 -2.195 1.00 0.00 C ATOM 624 CG GLU A 86 13.688 -5.404 -2.043 1.00 0.00 C ATOM 625 CD GLU A 86 14.523 -4.960 -3.227 1.00 0.00 C ATOM 626 OE1 GLU A 86 14.253 -5.424 -4.350 1.00 0.00 O ATOM 627 OE2 GLU A 86 15.460 -4.160 -3.025 1.00 0.00 O ATOM 0 H GLU A 86 10.106 -4.049 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 86 11.712 -3.708 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.633 -5.855 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.923 -5.220 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.057 -4.910 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.824 -6.475 -1.896 1.00 0.00 H new ATOM 634 N TYR A 87 12.634 -2.154 -3.360 1.00 0.00 N ATOM 635 CA TYR A 87 13.566 -1.186 -3.921 1.00 0.00 C ATOM 636 C TYR A 87 13.560 0.143 -3.164 1.00 0.00 C ATOM 637 O TYR A 87 13.204 1.191 -3.705 1.00 0.00 O ATOM 638 CB TYR A 87 13.284 -0.982 -5.414 1.00 0.00 C ATOM 639 CG TYR A 87 14.277 -1.698 -6.305 1.00 0.00 C ATOM 640 CD1 TYR A 87 14.794 -2.930 -5.933 1.00 0.00 C ATOM 641 CD2 TYR A 87 14.701 -1.149 -7.509 1.00 0.00 C ATOM 642 CE1 TYR A 87 15.702 -3.597 -6.729 1.00 0.00 C ATOM 643 CE2 TYR A 87 15.611 -1.813 -8.313 1.00 0.00 C ATOM 644 CZ TYR A 87 16.108 -3.037 -7.915 1.00 0.00 C ATOM 645 OH TYR A 87 17.010 -3.705 -8.707 1.00 0.00 O ATOM 0 H TYR A 87 11.841 -2.372 -3.964 1.00 0.00 H new ATOM 0 HA TYR A 87 14.570 -1.595 -3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.279 -1.337 -5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.304 0.084 -5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.479 -3.376 -5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.315 -0.190 -7.822 1.00 0.00 H new ATOM 0 HE1 TYR A 87 16.092 -4.556 -6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.930 -1.375 -9.247 1.00 0.00 H new ATOM 0 HH TYR A 87 17.194 -3.176 -9.511 1.00 0.00 H new ATOM 655 N PHE A 88 14.002 0.080 -1.913 1.00 0.00 N ATOM 656 CA PHE A 88 14.108 1.258 -1.059 1.00 0.00 C ATOM 657 C PHE A 88 15.569 1.720 -1.029 1.00 0.00 C ATOM 658 O PHE A 88 16.077 2.135 0.015 1.00 0.00 O ATOM 659 CB PHE A 88 13.630 0.920 0.364 1.00 0.00 C ATOM 660 CG PHE A 88 12.144 1.045 0.571 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.447 2.139 0.082 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.448 0.071 1.270 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.084 2.256 0.282 1.00 0.00 C ATOM 664 CE2 PHE A 88 10.086 0.185 1.476 1.00 0.00 C ATOM 665 CZ PHE A 88 9.403 1.278 0.982 1.00 0.00 C ATOM 0 H PHE A 88 14.296 -0.787 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 88 13.481 2.057 -1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.933 -0.100 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.139 1.577 1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.975 2.909 -0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.976 -0.787 1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.552 3.111 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.556 -0.581 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.339 1.369 1.142 1.00 0.00 H new ATOM 675 N ASN A 89 16.242 1.611 -2.187 1.00 0.00 N ATOM 676 CA ASN A 89 17.659 1.975 -2.323 1.00 0.00 C ATOM 677 C ASN A 89 18.252 1.420 -3.627 1.00 0.00 C ATOM 678 O ASN A 89 18.981 2.114 -4.338 1.00 0.00 O ATOM 679 CB ASN A 89 18.460 1.427 -1.129 1.00 0.00 C ATOM 680 CG ASN A 89 19.153 2.522 -0.343 1.00 0.00 C ATOM 681 OD1 ASN A 89 18.691 3.658 -0.295 1.00 0.00 O ATOM 682 ND2 ASN A 89 20.274 2.189 0.277 1.00 0.00 N ATOM 0 H ASN A 89 15.820 1.269 -3.050 1.00 0.00 H new ATOM 0 HA ASN A 89 17.724 3.063 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.790 0.878 -0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.204 0.717 -1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.785 2.887 0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 89 20.627 1.234 0.214 1.00 0.00 H new ATOM 689 N GLY A 90 17.946 0.148 -3.910 1.00 0.00 N ATOM 690 CA GLY A 90 18.461 -0.524 -5.101 1.00 0.00 C ATOM 691 C GLY A 90 19.284 -1.740 -4.720 1.00 0.00 C ATOM 692 O GLY A 90 20.497 -1.772 -4.931 1.00 0.00 O ATOM 0 H GLY A 90 17.344 -0.434 -3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.632 -0.826 -5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.073 0.169 -5.679 1.00 0.00 H new ATOM 696 N ILE A 91 18.623 -2.725 -4.114 1.00 0.00 N ATOM 697 CA ILE A 91 19.292 -3.936 -3.643 1.00 0.00 C ATOM 698 C ILE A 91 18.609 -5.215 -4.168 1.00 0.00 C ATOM 699 O ILE A 91 17.677 -5.139 -4.966 1.00 0.00 O ATOM 700 CB ILE A 91 19.318 -3.906 -2.089 1.00 0.00 C ATOM 701 CG1 ILE A 91 20.740 -4.074 -1.569 1.00 0.00 C ATOM 702 CG2 ILE A 91 18.396 -4.946 -1.469 1.00 0.00 C ATOM 703 CD1 ILE A 91 21.304 -2.816 -0.947 1.00 0.00 C ATOM 0 H ILE A 91 17.619 -2.707 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 91 20.310 -3.957 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 91 18.944 -2.928 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.757 -4.875 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 91 21.385 -4.385 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.453 -4.881 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.371 -4.761 -1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.703 -5.942 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 91 22.319 -3.006 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 91 21.319 -2.018 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.681 -2.516 -0.105 1.00 0.00 H new ATOM 715 N LYS A 92 19.082 -6.387 -3.713 1.00 0.00 N ATOM 716 CA LYS A 92 18.513 -7.687 -4.118 1.00 0.00 C ATOM 717 C LYS A 92 18.897 -8.078 -5.562 1.00 0.00 C ATOM 718 O LYS A 92 19.347 -9.197 -5.799 1.00 0.00 O ATOM 719 CB LYS A 92 16.986 -7.672 -3.899 1.00 0.00 C ATOM 720 CG LYS A 92 16.155 -8.253 -5.033 1.00 0.00 C ATOM 721 CD LYS A 92 15.909 -7.227 -6.137 1.00 0.00 C ATOM 722 CE LYS A 92 14.466 -7.246 -6.602 1.00 0.00 C ATOM 723 NZ LYS A 92 14.228 -6.342 -7.766 1.00 0.00 N ATOM 0 H LYS A 92 19.862 -6.462 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 92 18.946 -8.463 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.762 -8.226 -2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 92 16.671 -6.642 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.665 -9.121 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.200 -8.603 -4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.162 -6.231 -5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.567 -7.434 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.189 -8.264 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.818 -6.949 -5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.205 -6.219 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.666 -5.417 -7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.647 -6.760 -8.621 1.00 0.00 H new ATOM 737 N TYR A 93 18.737 -7.153 -6.512 1.00 0.00 N ATOM 738 CA TYR A 93 19.094 -7.378 -7.932 1.00 0.00 C ATOM 739 C TYR A 93 18.701 -8.772 -8.485 1.00 0.00 C ATOM 740 O TYR A 93 19.258 -9.206 -9.497 1.00 0.00 O ATOM 741 CB TYR A 93 20.607 -7.153 -8.132 1.00 0.00 C ATOM 742 CG TYR A 93 21.321 -6.623 -6.903 1.00 0.00 C ATOM 743 CD1 TYR A 93 21.434 -5.259 -6.676 1.00 0.00 C ATOM 744 CD2 TYR A 93 21.864 -7.492 -5.965 1.00 0.00 C ATOM 745 CE1 TYR A 93 22.068 -4.775 -5.548 1.00 0.00 C ATOM 746 CE2 TYR A 93 22.501 -7.015 -4.834 1.00 0.00 C ATOM 747 CZ TYR A 93 22.599 -5.657 -4.630 1.00 0.00 C ATOM 748 OH TYR A 93 23.231 -5.177 -3.507 1.00 0.00 O ATOM 0 H TYR A 93 18.357 -6.224 -6.328 1.00 0.00 H new ATOM 0 HA TYR A 93 18.509 -6.655 -8.500 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.068 -8.095 -8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 93 20.754 -6.453 -8.955 1.00 0.00 H new ATOM 0 HD1 TYR A 93 21.020 -4.565 -7.392 1.00 0.00 H new ATOM 0 HD2 TYR A 93 21.787 -8.558 -6.122 1.00 0.00 H new ATOM 0 HE1 TYR A 93 22.148 -3.710 -5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 93 22.919 -7.704 -4.115 1.00 0.00 H new ATOM 0 HH TYR A 93 23.216 -4.197 -3.517 1.00 0.00 H new ATOM 758 N ASN A 94 17.753 -9.471 -7.846 1.00 0.00 N ATOM 759 CA ASN A 94 17.334 -10.793 -8.319 1.00 0.00 C ATOM 760 C ASN A 94 16.188 -11.396 -7.485 1.00 0.00 C ATOM 761 O ASN A 94 16.362 -12.424 -6.830 1.00 0.00 O ATOM 762 CB ASN A 94 18.527 -11.749 -8.318 1.00 0.00 C ATOM 763 CG ASN A 94 18.600 -12.576 -9.582 1.00 0.00 C ATOM 764 OD1 ASN A 94 18.139 -13.713 -9.623 1.00 0.00 O ATOM 765 ND2 ASN A 94 19.177 -12.005 -10.627 1.00 0.00 N ATOM 0 H ASN A 94 17.268 -9.146 -7.010 1.00 0.00 H new ATOM 0 HA ASN A 94 16.956 -10.659 -9.333 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.448 -11.177 -8.207 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.458 -12.412 -7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 94 19.251 -12.512 -11.509 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.547 -11.058 -10.551 1.00 0.00 H new ATOM 772 N THR A 95 15.009 -10.781 -7.538 1.00 0.00 N ATOM 773 CA THR A 95 13.846 -11.307 -6.811 1.00 0.00 C ATOM 774 C THR A 95 12.576 -11.229 -7.664 1.00 0.00 C ATOM 775 O THR A 95 12.288 -10.200 -8.276 1.00 0.00 O ATOM 776 CB THR A 95 13.646 -10.600 -5.459 1.00 0.00 C ATOM 777 OG1 THR A 95 13.046 -11.486 -4.533 1.00 0.00 O ATOM 778 CG2 THR A 95 12.771 -9.363 -5.508 1.00 0.00 C ATOM 0 H THR A 95 14.830 -9.928 -8.068 1.00 0.00 H new ATOM 0 HA THR A 95 14.048 -12.357 -6.602 1.00 0.00 H new ATOM 0 HB THR A 95 14.648 -10.290 -5.164 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.287 -11.042 -4.100 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.689 -8.935 -4.509 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.215 -8.630 -6.181 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.779 -9.633 -5.869 1.00 0.00 H new ATOM 786 N THR A 96 11.831 -12.334 -7.696 1.00 0.00 N ATOM 787 CA THR A 96 10.589 -12.425 -8.468 1.00 0.00 C ATOM 788 C THR A 96 9.423 -12.833 -7.564 1.00 0.00 C ATOM 789 O THR A 96 8.655 -13.747 -7.868 1.00 0.00 O ATOM 790 CB THR A 96 10.769 -13.410 -9.627 1.00 0.00 C ATOM 791 OG1 THR A 96 9.673 -13.345 -10.526 1.00 0.00 O ATOM 792 CG2 THR A 96 10.935 -14.855 -9.189 1.00 0.00 C ATOM 0 H THR A 96 12.069 -13.188 -7.191 1.00 0.00 H new ATOM 0 HA THR A 96 10.354 -11.446 -8.885 1.00 0.00 H new ATOM 0 HB THR A 96 11.693 -13.099 -10.114 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.839 -13.501 -10.036 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.057 -15.490 -10.067 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.815 -14.943 -8.552 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.052 -15.170 -8.633 1.00 0.00 H new ATOM 800 N ARG A 97 9.313 -12.138 -6.439 1.00 0.00 N ATOM 801 CA ARG A 97 8.259 -12.398 -5.455 1.00 0.00 C ATOM 802 C ARG A 97 7.236 -11.254 -5.416 1.00 0.00 C ATOM 803 O ARG A 97 7.426 -10.221 -6.057 1.00 0.00 O ATOM 804 CB ARG A 97 8.881 -12.596 -4.066 1.00 0.00 C ATOM 805 CG ARG A 97 9.643 -13.908 -3.910 1.00 0.00 C ATOM 806 CD ARG A 97 11.070 -13.806 -4.434 1.00 0.00 C ATOM 807 NE ARG A 97 11.990 -14.682 -3.690 1.00 0.00 N ATOM 808 CZ ARG A 97 12.949 -15.428 -4.245 1.00 0.00 C ATOM 809 NH1 ARG A 97 13.167 -15.384 -5.546 1.00 0.00 N ATOM 810 NH2 ARG A 97 13.699 -16.214 -3.492 1.00 0.00 N ATOM 0 H ARG A 97 9.946 -11.381 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 97 7.734 -13.306 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.559 -11.767 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.091 -12.555 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.663 -14.193 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.116 -14.699 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.089 -14.073 -5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.411 -12.774 -4.360 1.00 0.00 H new ATOM 0 HE ARG A 97 11.888 -14.722 -2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.601 -14.776 -6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.902 -15.958 -5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.546 -16.252 -2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.431 -16.782 -3.919 1.00 0.00 H new ATOM 824 N ASN A 98 6.152 -11.448 -4.656 1.00 0.00 N ATOM 825 CA ASN A 98 5.099 -10.427 -4.536 1.00 0.00 C ATOM 826 C ASN A 98 4.427 -10.436 -3.158 1.00 0.00 C ATOM 827 O ASN A 98 4.550 -11.391 -2.386 1.00 0.00 O ATOM 828 CB ASN A 98 4.032 -10.636 -5.615 1.00 0.00 C ATOM 829 CG ASN A 98 3.810 -9.407 -6.474 1.00 0.00 C ATOM 830 OD1 ASN A 98 4.756 -8.757 -6.907 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.552 -9.082 -6.730 1.00 0.00 N ATOM 0 H ASN A 98 5.979 -12.296 -4.117 1.00 0.00 H new ATOM 0 HA ASN A 98 5.584 -9.460 -4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.326 -11.470 -6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.092 -10.915 -5.139 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.343 -8.266 -7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.792 -9.648 -6.352 1.00 0.00 H new ATOM 838 N ALA A 99 3.695 -9.357 -2.879 1.00 0.00 N ATOM 839 CA ALA A 99 2.965 -9.201 -1.619 1.00 0.00 C ATOM 840 C ALA A 99 1.533 -9.713 -1.765 1.00 0.00 C ATOM 841 O ALA A 99 0.789 -9.253 -2.631 1.00 0.00 O ATOM 842 CB ALA A 99 2.964 -7.739 -1.186 1.00 0.00 C ATOM 0 H ALA A 99 3.591 -8.568 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 99 3.467 -9.791 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.418 -7.638 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.991 -7.400 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.483 -7.133 -1.953 1.00 0.00 H new ATOM 848 N TYR A 100 1.159 -10.673 -0.924 1.00 0.00 N ATOM 849 CA TYR A 100 -0.180 -11.258 -0.970 1.00 0.00 C ATOM 850 C TYR A 100 -1.086 -10.648 0.098 1.00 0.00 C ATOM 851 O TYR A 100 -0.890 -10.869 1.297 1.00 0.00 O ATOM 852 CB TYR A 100 -0.095 -12.779 -0.789 1.00 0.00 C ATOM 853 CG TYR A 100 0.644 -13.492 -1.905 1.00 0.00 C ATOM 854 CD1 TYR A 100 2.019 -13.355 -2.054 1.00 0.00 C ATOM 855 CD2 TYR A 100 -0.034 -14.304 -2.807 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.697 -14.004 -3.068 1.00 0.00 C ATOM 857 CE2 TYR A 100 0.639 -14.958 -3.824 1.00 0.00 C ATOM 858 CZ TYR A 100 2.004 -14.803 -3.950 1.00 0.00 C ATOM 859 OH TYR A 100 2.679 -15.450 -4.961 1.00 0.00 O ATOM 0 H TYR A 100 1.764 -11.063 -0.201 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.615 -11.037 -1.945 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.401 -12.995 0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.105 -13.183 -0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.567 -12.730 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.103 -14.426 -2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.766 -13.885 -3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.098 -15.587 -4.516 1.00 0.00 H new ATOM 0 HH TYR A 100 2.045 -15.974 -5.494 1.00 0.00 H new ATOM 869 N ARG A 101 -2.074 -9.873 -0.346 1.00 0.00 N ATOM 870 CA ARG A 101 -3.009 -9.222 0.567 1.00 0.00 C ATOM 871 C ARG A 101 -4.461 -9.468 0.140 1.00 0.00 C ATOM 872 O ARG A 101 -4.975 -8.813 -0.768 1.00 0.00 O ATOM 873 CB ARG A 101 -2.704 -7.721 0.627 1.00 0.00 C ATOM 874 CG ARG A 101 -1.624 -7.367 1.631 1.00 0.00 C ATOM 875 CD ARG A 101 -2.223 -6.917 2.947 1.00 0.00 C ATOM 876 NE ARG A 101 -2.602 -5.504 2.922 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.132 -4.860 3.950 1.00 0.00 C ATOM 878 NH1 ARG A 101 -3.292 -5.467 5.102 1.00 0.00 N ATOM 879 NH2 ARG A 101 -3.498 -3.604 3.822 1.00 0.00 N ATOM 0 H ARG A 101 -2.247 -9.681 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.885 -9.651 1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.397 -7.380 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.617 -7.182 0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.982 -8.232 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.993 -6.575 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -3.100 -7.524 3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.504 -7.085 3.749 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.448 -4.983 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.007 -6.441 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.701 -4.965 5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.374 -3.125 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.906 -3.108 4.615 1.00 0.00 H new ATOM 893 N GLU A 102 -5.118 -10.428 0.793 1.00 0.00 N ATOM 894 CA GLU A 102 -6.507 -10.761 0.465 1.00 0.00 C ATOM 895 C GLU A 102 -7.504 -9.913 1.262 1.00 0.00 C ATOM 896 O GLU A 102 -7.257 -9.562 2.418 1.00 0.00 O ATOM 897 CB GLU A 102 -6.779 -12.250 0.715 1.00 0.00 C ATOM 898 CG GLU A 102 -7.956 -12.791 -0.088 1.00 0.00 C ATOM 899 CD GLU A 102 -8.875 -13.677 0.728 1.00 0.00 C ATOM 900 OE1 GLU A 102 -8.591 -14.886 0.837 1.00 0.00 O ATOM 901 OE2 GLU A 102 -9.879 -13.162 1.253 1.00 0.00 O ATOM 0 H GLU A 102 -4.715 -10.985 1.546 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.647 -10.539 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.885 -12.822 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.971 -12.404 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.529 -11.955 -0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.578 -13.356 -0.940 1.00 0.00 H new ATOM 908 N CYS A 103 -8.642 -9.606 0.634 1.00 0.00 N ATOM 909 CA CYS A 103 -9.704 -8.824 1.280 1.00 0.00 C ATOM 910 C CYS A 103 -10.652 -9.766 2.019 1.00 0.00 C ATOM 911 O CYS A 103 -11.150 -10.725 1.437 1.00 0.00 O ATOM 912 CB CYS A 103 -10.475 -8.002 0.244 1.00 0.00 C ATOM 913 SG CYS A 103 -11.947 -7.158 0.910 1.00 0.00 S ATOM 0 H CYS A 103 -8.854 -9.887 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.252 -8.134 1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.805 -7.257 -0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -10.783 -8.659 -0.569 1.00 0.00 H new ATOM 918 N LEU A 104 -10.880 -9.514 3.306 1.00 0.00 N ATOM 919 CA LEU A 104 -11.738 -10.387 4.107 1.00 0.00 C ATOM 920 C LEU A 104 -13.215 -10.328 3.704 1.00 0.00 C ATOM 921 O LEU A 104 -13.702 -9.350 3.132 1.00 0.00 O ATOM 922 CB LEU A 104 -11.529 -10.112 5.601 1.00 0.00 C ATOM 923 CG LEU A 104 -12.724 -9.578 6.393 1.00 0.00 C ATOM 924 CD1 LEU A 104 -13.055 -10.518 7.541 1.00 0.00 C ATOM 925 CD2 LEU A 104 -12.419 -8.191 6.926 1.00 0.00 C ATOM 0 H LEU A 104 -10.488 -8.721 3.813 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.434 -11.413 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -11.200 -11.039 6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.712 -9.397 5.701 1.00 0.00 H new ATOM 0 HG LEU A 104 -13.586 -9.518 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.907 -10.127 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.301 -11.503 7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.194 -10.598 8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -13.276 -7.821 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.548 -8.236 7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.213 -7.518 6.093 1.00 0.00 H new ATOM 937 N GLU A 105 -13.898 -11.422 4.013 1.00 0.00 N ATOM 938 CA GLU A 105 -15.326 -11.614 3.700 1.00 0.00 C ATOM 939 C GLU A 105 -16.200 -10.459 4.201 1.00 0.00 C ATOM 940 O GLU A 105 -17.072 -9.970 3.478 1.00 0.00 O ATOM 941 CB GLU A 105 -15.819 -12.942 4.296 1.00 0.00 C ATOM 942 CG GLU A 105 -16.457 -13.871 3.270 1.00 0.00 C ATOM 943 CD GLU A 105 -16.307 -15.339 3.623 1.00 0.00 C ATOM 944 OE1 GLU A 105 -16.869 -15.765 4.654 1.00 0.00 O ATOM 945 OE2 GLU A 105 -15.629 -16.062 2.864 1.00 0.00 O ATOM 0 H GLU A 105 -13.479 -12.217 4.495 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.417 -11.637 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.979 -13.454 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.543 -12.731 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.517 -13.631 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -16.006 -13.690 2.294 1.00 0.00 H new ATOM 952 N ASN A 106 -15.951 -10.019 5.435 1.00 0.00 N ATOM 953 CA ASN A 106 -16.700 -8.914 6.041 1.00 0.00 C ATOM 954 C ASN A 106 -16.641 -7.656 5.166 1.00 0.00 C ATOM 955 O ASN A 106 -17.504 -6.781 5.260 1.00 0.00 O ATOM 956 CB ASN A 106 -16.116 -8.615 7.430 1.00 0.00 C ATOM 957 CG ASN A 106 -17.145 -8.099 8.419 1.00 0.00 C ATOM 958 OD1 ASN A 106 -18.349 -8.280 8.245 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.672 -7.459 9.475 1.00 0.00 N ATOM 0 H ASN A 106 -15.231 -10.414 6.040 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.746 -9.208 6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.663 -9.523 7.829 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.318 -7.879 7.330 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.313 -7.096 10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.666 -7.329 9.584 1.00 0.00 H new ATOM 966 N GLY A 107 -15.611 -7.574 4.321 1.00 0.00 N ATOM 967 CA GLY A 107 -15.435 -6.430 3.448 1.00 0.00 C ATOM 968 C GLY A 107 -14.321 -5.531 3.933 1.00 0.00 C ATOM 969 O GLY A 107 -14.471 -4.308 3.962 1.00 0.00 O ATOM 0 H GLY A 107 -14.891 -8.290 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.214 -6.773 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.365 -5.864 3.396 1.00 0.00 H new ATOM 973 N THR A 108 -13.201 -6.136 4.335 1.00 0.00 N ATOM 974 CA THR A 108 -12.070 -5.358 4.841 1.00 0.00 C ATOM 975 C THR A 108 -10.730 -6.011 4.523 1.00 0.00 C ATOM 976 O THR A 108 -10.630 -7.230 4.368 1.00 0.00 O ATOM 977 CB THR A 108 -12.184 -5.152 6.359 1.00 0.00 C ATOM 978 OG1 THR A 108 -13.494 -5.444 6.825 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.852 -3.744 6.788 1.00 0.00 C ATOM 0 H THR A 108 -13.054 -7.145 4.321 1.00 0.00 H new ATOM 0 HA THR A 108 -12.107 -4.393 4.335 1.00 0.00 H new ATOM 0 HB THR A 108 -11.458 -5.839 6.794 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.535 -5.305 7.794 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.950 -3.661 7.870 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.829 -3.507 6.497 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.537 -3.046 6.307 1.00 0.00 H new ATOM 987 N TRP A 109 -9.695 -5.180 4.448 1.00 0.00 N ATOM 988 CA TRP A 109 -8.343 -5.652 4.171 1.00 0.00 C ATOM 989 C TRP A 109 -7.798 -6.436 5.367 1.00 0.00 C ATOM 990 O TRP A 109 -8.147 -6.154 6.516 1.00 0.00 O ATOM 991 CB TRP A 109 -7.436 -4.464 3.838 1.00 0.00 C ATOM 992 CG TRP A 109 -7.727 -3.864 2.494 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.586 -2.835 2.217 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.166 -4.267 1.242 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.594 -2.579 0.864 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.725 -3.443 0.247 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.241 -5.247 0.867 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.387 -3.569 -1.096 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -5.908 -5.372 -0.469 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.480 -4.535 -1.436 1.00 0.00 C ATOM 0 H TRP A 109 -9.768 -4.171 4.576 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.368 -6.322 3.311 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.553 -3.698 4.605 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.396 -4.788 3.868 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.171 -2.302 2.952 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -9.154 -1.865 0.398 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -5.795 -5.894 1.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.826 -2.926 -1.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.196 -6.126 -0.772 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.199 -4.655 -2.472 1.00 0.00 H new ATOM 1011 N ALA A 110 -6.951 -7.424 5.091 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.367 -8.258 6.145 1.00 0.00 C ATOM 1013 C ALA A 110 -5.489 -7.435 7.092 1.00 0.00 C ATOM 1014 O ALA A 110 -4.752 -6.561 6.656 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.562 -9.393 5.522 1.00 0.00 C ATOM 0 H ALA A 110 -6.652 -7.669 4.147 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.182 -8.678 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.131 -10.009 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.216 -10.005 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.763 -8.978 4.908 1.00 0.00 H new ATOM 1021 N SER A 111 -5.567 -7.715 8.392 1.00 0.00 N ATOM 1022 CA SER A 111 -4.758 -6.980 9.373 1.00 0.00 C ATOM 1023 C SER A 111 -3.270 -7.070 9.029 1.00 0.00 C ATOM 1024 O SER A 111 -2.579 -6.053 8.960 1.00 0.00 O ATOM 1025 CB SER A 111 -5.000 -7.506 10.792 1.00 0.00 C ATOM 1026 OG SER A 111 -5.211 -6.436 11.697 1.00 0.00 O ATOM 0 H SER A 111 -6.171 -8.434 8.790 1.00 0.00 H new ATOM 0 HA SER A 111 -5.064 -5.934 9.335 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.866 -8.168 10.796 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.144 -8.099 11.116 1.00 0.00 H new ATOM 0 HG SER A 111 -5.365 -6.794 12.596 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.784 -8.291 8.803 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.377 -8.508 8.461 1.00 0.00 C ATOM 1034 C ARG A 112 -1.166 -8.622 6.947 1.00 0.00 C ATOM 1035 O ARG A 112 -2.119 -8.588 6.162 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.852 -9.769 9.152 1.00 0.00 C ATOM 1037 CG ARG A 112 0.207 -9.485 10.204 1.00 0.00 C ATOM 1038 CD ARG A 112 0.424 -10.671 11.128 1.00 0.00 C ATOM 1039 NE ARG A 112 1.304 -10.318 12.246 1.00 0.00 N ATOM 1040 CZ ARG A 112 1.392 -10.999 13.382 1.00 0.00 C ATOM 1041 NH1 ARG A 112 0.682 -12.098 13.563 1.00 0.00 N ATOM 1042 NH2 ARG A 112 2.201 -10.579 14.335 1.00 0.00 N ATOM 0 H ARG A 112 -3.342 -9.143 8.850 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.820 -7.639 8.812 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.686 -10.292 9.619 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.436 -10.440 8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.147 -9.231 9.713 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.090 -8.617 10.792 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.536 -11.016 11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.859 -11.498 10.567 1.00 0.00 H new ATOM 0 HE ARG A 112 1.891 -9.490 12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.059 -12.430 12.826 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.756 -12.615 14.439 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.756 -9.734 14.197 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.272 -11.099 15.210 1.00 0.00 H new ATOM 1056 N VAL A 113 0.097 -8.766 6.553 1.00 0.00 N ATOM 1057 CA VAL A 113 0.465 -8.898 5.145 1.00 0.00 C ATOM 1058 C VAL A 113 1.439 -10.063 4.949 1.00 0.00 C ATOM 1059 O VAL A 113 2.489 -10.118 5.594 1.00 0.00 O ATOM 1060 CB VAL A 113 1.124 -7.608 4.604 1.00 0.00 C ATOM 1061 CG1 VAL A 113 1.185 -7.635 3.089 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.386 -6.365 5.076 1.00 0.00 C ATOM 0 H VAL A 113 0.889 -8.794 7.195 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.456 -9.084 4.593 1.00 0.00 H new ATOM 0 HB VAL A 113 2.139 -7.568 4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.652 -6.719 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.772 -8.494 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.175 -7.711 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.876 -5.477 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.645 -6.399 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.397 -6.327 6.165 1.00 0.00 H new ATOM 1072 N ASN A 114 1.098 -10.991 4.058 1.00 0.00 N ATOM 1073 CA ASN A 114 1.967 -12.139 3.792 1.00 0.00 C ATOM 1074 C ASN A 114 3.128 -11.727 2.881 1.00 0.00 C ATOM 1075 O ASN A 114 3.119 -11.987 1.675 1.00 0.00 O ATOM 1076 CB ASN A 114 1.164 -13.288 3.173 1.00 0.00 C ATOM 1077 CG ASN A 114 0.281 -13.982 4.192 1.00 0.00 C ATOM 1078 OD1 ASN A 114 -0.833 -13.542 4.460 1.00 0.00 O ATOM 1079 ND2 ASN A 114 0.777 -15.065 4.775 1.00 0.00 N ATOM 0 H ASN A 114 0.236 -10.974 3.512 1.00 0.00 H new ATOM 0 HA ASN A 114 2.383 -12.490 4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.546 -12.902 2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 114 1.849 -14.013 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 114 0.228 -15.565 5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 114 1.708 -15.398 4.524 1.00 0.00 H new ATOM 1086 N TYR A 115 4.118 -11.058 3.474 1.00 0.00 N ATOM 1087 CA TYR A 115 5.288 -10.577 2.727 1.00 0.00 C ATOM 1088 C TYR A 115 6.549 -11.416 2.979 1.00 0.00 C ATOM 1089 O TYR A 115 7.620 -11.085 2.462 1.00 0.00 O ATOM 1090 CB TYR A 115 5.571 -9.106 3.065 1.00 0.00 C ATOM 1091 CG TYR A 115 5.311 -8.734 4.512 1.00 0.00 C ATOM 1092 CD1 TYR A 115 5.832 -9.492 5.554 1.00 0.00 C ATOM 1093 CD2 TYR A 115 4.537 -7.626 4.830 1.00 0.00 C ATOM 1094 CE1 TYR A 115 5.588 -9.154 6.872 1.00 0.00 C ATOM 1095 CE2 TYR A 115 4.292 -7.282 6.146 1.00 0.00 C ATOM 1096 CZ TYR A 115 4.819 -8.051 7.162 1.00 0.00 C ATOM 1097 OH TYR A 115 4.576 -7.720 8.474 1.00 0.00 O ATOM 0 H TYR A 115 4.136 -10.835 4.469 1.00 0.00 H new ATOM 0 HA TYR A 115 5.040 -10.677 1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.612 -8.885 2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.956 -8.474 2.424 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.437 -10.358 5.331 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.120 -7.024 4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 115 5.999 -9.753 7.671 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.691 -6.415 6.377 1.00 0.00 H new ATOM 0 HH TYR A 115 4.494 -6.747 8.556 1.00 0.00 H new ATOM 1107 N SER A 116 6.431 -12.499 3.757 1.00 0.00 N ATOM 1108 CA SER A 116 7.580 -13.370 4.046 1.00 0.00 C ATOM 1109 C SER A 116 8.277 -13.813 2.750 1.00 0.00 C ATOM 1110 O SER A 116 9.497 -13.963 2.711 1.00 0.00 O ATOM 1111 CB SER A 116 7.131 -14.599 4.845 1.00 0.00 C ATOM 1112 OG SER A 116 8.057 -14.907 5.876 1.00 0.00 O ATOM 0 H SER A 116 5.558 -12.793 4.196 1.00 0.00 H new ATOM 0 HA SER A 116 8.292 -12.799 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.148 -14.415 5.278 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.030 -15.454 4.176 1.00 0.00 H new ATOM 0 HG SER A 116 7.746 -15.693 6.371 1.00 0.00 H new ATOM 1118 N HIS A 117 7.483 -14.008 1.697 1.00 0.00 N ATOM 1119 CA HIS A 117 7.985 -14.426 0.381 1.00 0.00 C ATOM 1120 C HIS A 117 9.075 -13.482 -0.163 1.00 0.00 C ATOM 1121 O HIS A 117 10.040 -13.933 -0.784 1.00 0.00 O ATOM 1122 CB HIS A 117 6.810 -14.480 -0.606 1.00 0.00 C ATOM 1123 CG HIS A 117 6.976 -15.464 -1.722 1.00 0.00 C ATOM 1124 ND1 HIS A 117 7.157 -16.815 -1.521 1.00 0.00 N ATOM 1125 CD2 HIS A 117 6.960 -15.286 -3.063 1.00 0.00 C ATOM 1126 CE1 HIS A 117 7.244 -17.425 -2.691 1.00 0.00 C ATOM 1127 NE2 HIS A 117 7.125 -16.520 -3.645 1.00 0.00 N ATOM 0 H HIS A 117 6.471 -13.881 1.729 1.00 0.00 H new ATOM 0 HA HIS A 117 8.441 -15.409 0.495 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.902 -14.725 -0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.666 -13.488 -1.033 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.840 -14.346 -3.581 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.388 -18.485 -2.841 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.151 -16.706 -4.648 1.00 0.00 H new ATOM 1136 N CYS A 118 8.901 -12.170 0.049 1.00 0.00 N ATOM 1137 CA CYS A 118 9.857 -11.162 -0.449 1.00 0.00 C ATOM 1138 C CYS A 118 11.222 -11.238 0.254 1.00 0.00 C ATOM 1139 O CYS A 118 11.634 -10.304 0.948 1.00 0.00 O ATOM 1140 CB CYS A 118 9.261 -9.757 -0.306 1.00 0.00 C ATOM 1141 SG CYS A 118 7.935 -9.396 -1.506 1.00 0.00 S ATOM 0 H CYS A 118 8.110 -11.779 0.561 1.00 0.00 H new ATOM 0 HA CYS A 118 10.033 -11.380 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.867 -9.640 0.703 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.056 -9.021 -0.425 1.00 0.00 H new ATOM 1146 N GLU A 119 11.918 -12.357 0.049 1.00 0.00 N ATOM 1147 CA GLU A 119 13.243 -12.592 0.639 1.00 0.00 C ATOM 1148 C GLU A 119 14.379 -12.143 -0.303 1.00 0.00 C ATOM 1149 O GLU A 119 14.311 -12.365 -1.516 1.00 0.00 O ATOM 1150 CB GLU A 119 13.396 -14.083 0.963 1.00 0.00 C ATOM 1151 CG GLU A 119 13.336 -14.976 -0.271 1.00 0.00 C ATOM 1152 CD GLU A 119 13.507 -16.449 0.036 1.00 0.00 C ATOM 1153 OE1 GLU A 119 13.010 -16.907 1.087 1.00 0.00 O ATOM 1154 OE2 GLU A 119 14.127 -17.145 -0.791 1.00 0.00 O ATOM 0 H GLU A 119 11.582 -13.127 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 119 13.318 -11.999 1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.347 -14.242 1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.609 -14.380 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.379 -14.827 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.113 -14.667 -0.971 1.00 0.00 H new ATOM 1161 N PRO A 120 15.435 -11.494 0.242 1.00 0.00 N ATOM 1162 CA PRO A 120 16.577 -11.002 -0.539 1.00 0.00 C ATOM 1163 C PRO A 120 17.698 -12.041 -0.695 1.00 0.00 C ATOM 1164 O PRO A 120 17.490 -13.240 -0.497 1.00 0.00 O ATOM 1165 CB PRO A 120 17.082 -9.807 0.296 1.00 0.00 C ATOM 1166 CG PRO A 120 16.245 -9.791 1.547 1.00 0.00 C ATOM 1167 CD PRO A 120 15.611 -11.151 1.650 1.00 0.00 C ATOM 0 HA PRO A 120 16.284 -10.753 -1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.140 -9.918 0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.976 -8.873 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 120 16.859 -9.581 2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 120 15.485 -9.011 1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.251 -11.864 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 120 14.663 -11.123 2.187 1.00 0.00 H new ATOM 1175 N ILE A 121 18.891 -11.556 -1.055 1.00 0.00 N ATOM 1176 CA ILE A 121 20.063 -12.413 -1.248 1.00 0.00 C ATOM 1177 C ILE A 121 21.097 -12.202 -0.124 1.00 0.00 C ATOM 1178 O ILE A 121 20.731 -11.827 0.991 1.00 0.00 O ATOM 1179 CB ILE A 121 20.708 -12.140 -2.628 1.00 0.00 C ATOM 1180 CG1 ILE A 121 21.385 -10.757 -2.637 1.00 0.00 C ATOM 1181 CG2 ILE A 121 19.653 -12.255 -3.725 1.00 0.00 C ATOM 1182 CD1 ILE A 121 21.111 -9.931 -3.870 1.00 0.00 C ATOM 0 H ILE A 121 19.070 -10.565 -1.220 1.00 0.00 H new ATOM 0 HA ILE A 121 19.731 -13.451 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 121 21.479 -12.886 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 121 21.054 -10.199 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 121 22.462 -10.894 -2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 121 20.113 -12.062 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 121 19.229 -13.259 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 121 18.862 -11.526 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 121 21.627 -8.974 -3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 121 21.469 -10.463 -4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 121 20.039 -9.758 -3.961 1.00 0.00 H new ATOM 1194 N LEU A 122 22.383 -12.451 -0.417 1.00 0.00 N ATOM 1195 CA LEU A 122 23.452 -12.290 0.572 1.00 0.00 C ATOM 1196 C LEU A 122 23.714 -10.813 0.884 1.00 0.00 C ATOM 1197 O LEU A 122 22.788 -10.026 1.091 1.00 0.00 O ATOM 1198 CB LEU A 122 24.744 -12.949 0.066 1.00 0.00 C ATOM 1199 CG LEU A 122 24.724 -14.480 -0.049 1.00 0.00 C ATOM 1200 CD1 LEU A 122 24.033 -15.116 1.146 1.00 0.00 C ATOM 1201 CD2 LEU A 122 24.054 -14.915 -1.343 1.00 0.00 C ATOM 0 H LEU A 122 22.705 -12.765 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 122 23.128 -12.778 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.979 -12.535 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 122 25.557 -12.666 0.734 1.00 0.00 H new ATOM 0 HG LEU A 122 25.759 -14.823 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.036 -16.200 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.562 -14.845 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.004 -14.760 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.051 -16.003 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.028 -14.548 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 122 24.602 -14.506 -2.192 1.00 0.00 H new TER 1213 LEU A 122 ATOM 1214 N LEU B 227 25.122 -6.429 1.609 1.00 0.00 N ATOM 1215 CA LEU B 227 24.095 -5.440 1.852 1.00 0.00 C ATOM 1216 C LEU B 227 23.122 -5.883 2.923 1.00 0.00 C ATOM 1217 O LEU B 227 22.264 -5.109 3.340 1.00 0.00 O ATOM 1218 CB LEU B 227 23.364 -5.124 0.566 1.00 0.00 C ATOM 1219 CG LEU B 227 22.735 -6.309 -0.186 1.00 0.00 C ATOM 1220 CD1 LEU B 227 23.585 -7.560 -0.129 1.00 0.00 C ATOM 1221 CD2 LEU B 227 21.336 -6.608 0.328 1.00 0.00 C ATOM 0 HA LEU B 227 24.584 -4.537 2.217 1.00 0.00 H new ATOM 0 HB2 LEU B 227 22.574 -4.408 0.792 1.00 0.00 H new ATOM 0 HB3 LEU B 227 24.062 -4.627 -0.108 1.00 0.00 H new ATOM 0 HG LEU B 227 22.674 -6.004 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU B 227 23.090 -8.362 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU B 227 24.557 -7.360 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU B 227 23.721 -7.861 0.910 1.00 0.00 H new ATOM 0 HD21 LEU B 227 20.918 -7.450 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU B 227 21.383 -6.856 1.388 1.00 0.00 H new ATOM 0 HD23 LEU B 227 20.702 -5.732 0.188 1.00 0.00 H new ATOM 1233 N ALA B 228 23.275 -7.123 3.362 1.00 0.00 N ATOM 1234 CA ALA B 228 22.424 -7.701 4.409 1.00 0.00 C ATOM 1235 C ALA B 228 21.991 -6.637 5.426 1.00 0.00 C ATOM 1236 O ALA B 228 20.799 -6.367 5.583 1.00 0.00 O ATOM 1237 CB ALA B 228 23.158 -8.836 5.113 1.00 0.00 C ATOM 0 H ALA B 228 23.988 -7.761 3.008 1.00 0.00 H new ATOM 0 HA ALA B 228 21.526 -8.096 3.935 1.00 0.00 H new ATOM 0 HB1 ALA B 228 22.518 -9.258 5.888 1.00 0.00 H new ATOM 0 HB2 ALA B 228 23.410 -9.611 4.389 1.00 0.00 H new ATOM 0 HB3 ALA B 228 24.072 -8.452 5.566 1.00 0.00 H new ATOM 1243 N GLN B 229 22.976 -6.032 6.099 1.00 0.00 N ATOM 1244 CA GLN B 229 22.722 -4.987 7.101 1.00 0.00 C ATOM 1245 C GLN B 229 21.814 -3.868 6.567 1.00 0.00 C ATOM 1246 O GLN B 229 21.005 -3.315 7.314 1.00 0.00 O ATOM 1247 CB GLN B 229 24.051 -4.386 7.581 1.00 0.00 C ATOM 1248 CG GLN B 229 24.811 -3.624 6.499 1.00 0.00 C ATOM 1249 CD GLN B 229 26.089 -2.984 7.007 1.00 0.00 C ATOM 1250 OE1 GLN B 229 26.908 -3.633 7.655 1.00 0.00 O ATOM 1251 NE2 GLN B 229 26.269 -1.706 6.715 1.00 0.00 N ATOM 0 H GLN B 229 23.964 -6.249 5.967 1.00 0.00 H new ATOM 0 HA GLN B 229 22.202 -5.462 7.933 1.00 0.00 H new ATOM 0 HB2 GLN B 229 23.854 -3.713 8.415 1.00 0.00 H new ATOM 0 HB3 GLN B 229 24.685 -5.187 7.961 1.00 0.00 H new ATOM 0 HG2 GLN B 229 25.053 -4.307 5.684 1.00 0.00 H new ATOM 0 HG3 GLN B 229 24.164 -2.850 6.085 1.00 0.00 H new ATOM 0 HE21 GLN B 229 25.566 -1.202 6.175 1.00 0.00 H new ATOM 0 HE22 GLN B 229 27.111 -1.225 7.030 1.00 0.00 H new ATOM 1260 N GLU B 230 21.954 -3.531 5.284 1.00 0.00 N ATOM 1261 CA GLU B 230 21.148 -2.466 4.679 1.00 0.00 C ATOM 1262 C GLU B 230 19.777 -2.966 4.249 1.00 0.00 C ATOM 1263 O GLU B 230 18.756 -2.507 4.763 1.00 0.00 O ATOM 1264 CB GLU B 230 21.881 -1.845 3.484 1.00 0.00 C ATOM 1265 CG GLU B 230 22.499 -0.488 3.790 1.00 0.00 C ATOM 1266 CD GLU B 230 21.467 0.623 3.867 1.00 0.00 C ATOM 1267 OE1 GLU B 230 21.295 1.383 2.914 1.00 0.00 O ATOM 0 H GLU B 230 22.613 -3.976 4.646 1.00 0.00 H new ATOM 0 HA GLU B 230 20.999 -1.702 5.442 1.00 0.00 H new ATOM 0 HB2 GLU B 230 22.665 -2.527 3.155 1.00 0.00 H new ATOM 0 HB3 GLU B 230 21.182 -1.738 2.654 1.00 0.00 H new ATOM 0 HG2 GLU B 230 23.038 -0.544 4.736 1.00 0.00 H new ATOM 0 HG3 GLU B 230 23.231 -0.245 3.020 1.00 0.00 H new ATOM 1274 N ALA B 231 19.745 -3.901 3.310 1.00 0.00 N ATOM 1275 CA ALA B 231 18.476 -4.439 2.827 1.00 0.00 C ATOM 1276 C ALA B 231 17.612 -4.988 3.975 1.00 0.00 C ATOM 1277 O ALA B 231 16.383 -5.005 3.868 1.00 0.00 O ATOM 1278 CB ALA B 231 18.723 -5.491 1.760 1.00 0.00 C ATOM 0 H ALA B 231 20.573 -4.301 2.869 1.00 0.00 H new ATOM 0 HA ALA B 231 17.912 -3.621 2.378 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.769 -5.884 1.409 1.00 0.00 H new ATOM 0 HB2 ALA B 231 19.261 -5.043 0.925 1.00 0.00 H new ATOM 0 HB3 ALA B 231 19.317 -6.303 2.180 1.00 0.00 H new ATOM 1284 N HIS B 232 18.247 -5.415 5.075 1.00 0.00 N ATOM 1285 CA HIS B 232 17.505 -5.932 6.228 1.00 0.00 C ATOM 1286 C HIS B 232 16.507 -4.892 6.735 1.00 0.00 C ATOM 1287 O HIS B 232 15.300 -5.147 6.764 1.00 0.00 O ATOM 1288 CB HIS B 232 18.458 -6.336 7.363 1.00 0.00 C ATOM 1289 CG HIS B 232 18.679 -7.815 7.495 1.00 0.00 C ATOM 1290 ND1 HIS B 232 18.157 -8.751 6.626 1.00 0.00 N ATOM 1291 CD2 HIS B 232 19.383 -8.514 8.415 1.00 0.00 C ATOM 1292 CE1 HIS B 232 18.530 -9.960 7.007 1.00 0.00 C ATOM 1293 NE2 HIS B 232 19.276 -9.844 8.090 1.00 0.00 N ATOM 0 H HIS B 232 19.261 -5.412 5.189 1.00 0.00 H new ATOM 0 HA HIS B 232 16.960 -6.818 5.902 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.421 -5.851 7.202 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.063 -5.955 8.305 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.929 -8.102 9.251 1.00 0.00 H new ATOM 0 HE1 HIS B 232 18.269 -10.886 6.516 1.00 0.00 H new ATOM 0 HE2 HIS B 232 19.703 -10.616 8.602 1.00 0.00 H new ATOM 1302 N LYS B 233 17.012 -3.713 7.119 1.00 0.00 N ATOM 1303 CA LYS B 233 16.146 -2.636 7.606 1.00 0.00 C ATOM 1304 C LYS B 233 15.093 -2.284 6.554 1.00 0.00 C ATOM 1305 O LYS B 233 13.936 -2.023 6.891 1.00 0.00 O ATOM 1306 CB LYS B 233 16.964 -1.392 7.997 1.00 0.00 C ATOM 1307 CG LYS B 233 17.867 -0.856 6.891 1.00 0.00 C ATOM 1308 CD LYS B 233 18.631 0.384 7.341 1.00 0.00 C ATOM 1309 CE LYS B 233 19.385 1.036 6.187 1.00 0.00 C ATOM 1310 NZ LYS B 233 20.700 0.432 5.973 1.00 0.00 N ATOM 0 H LYS B 233 18.006 -3.483 7.102 1.00 0.00 H new ATOM 0 HA LYS B 233 15.638 -2.991 8.503 1.00 0.00 H new ATOM 0 HB2 LYS B 233 16.277 -0.603 8.303 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.578 -1.634 8.865 1.00 0.00 H new ATOM 0 HG2 LYS B 233 18.573 -1.630 6.590 1.00 0.00 H new ATOM 0 HG3 LYS B 233 17.266 -0.615 6.014 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.935 1.103 7.772 1.00 0.00 H new ATOM 0 HD3 LYS B 233 19.335 0.111 8.127 1.00 0.00 H new ATOM 0 HE2 LYS B 233 18.795 0.949 5.275 1.00 0.00 H new ATOM 0 HE3 LYS B 233 19.505 2.100 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 21.385 1.173 5.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 21.010 -0.044 6.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 20.641 -0.263 5.201 1.00 0.00 H new ATOM 1322 N ASN B 234 15.493 -2.314 5.278 1.00 0.00 N ATOM 1323 CA ASN B 234 14.569 -2.030 4.177 1.00 0.00 C ATOM 1324 C ASN B 234 13.352 -2.955 4.263 1.00 0.00 C ATOM 1325 O ASN B 234 12.212 -2.493 4.256 1.00 0.00 O ATOM 1326 CB ASN B 234 15.273 -2.214 2.824 1.00 0.00 C ATOM 1327 CG ASN B 234 16.318 -1.152 2.535 1.00 0.00 C ATOM 1328 OD1 ASN B 234 17.454 -1.470 2.198 1.00 0.00 O ATOM 1329 ND2 ASN B 234 15.945 0.116 2.652 1.00 0.00 N ATOM 0 H ASN B 234 16.445 -2.531 4.984 1.00 0.00 H new ATOM 0 HA ASN B 234 14.237 -0.995 4.259 1.00 0.00 H new ATOM 0 HB2 ASN B 234 15.748 -3.195 2.801 1.00 0.00 H new ATOM 0 HB3 ASN B 234 14.526 -2.203 2.030 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.612 0.864 2.459 1.00 0.00 H new ATOM 0 HD22 ASN B 234 14.992 0.343 2.935 1.00 0.00 H new ATOM 1336 N ARG B 235 13.608 -4.262 4.361 1.00 0.00 N ATOM 1337 CA ARG B 235 12.540 -5.249 4.472 1.00 0.00 C ATOM 1338 C ARG B 235 11.861 -5.165 5.842 1.00 0.00 C ATOM 1339 O ARG B 235 10.643 -5.308 5.944 1.00 0.00 O ATOM 1340 CB ARG B 235 13.101 -6.655 4.234 1.00 0.00 C ATOM 1341 CG ARG B 235 12.466 -7.395 3.063 1.00 0.00 C ATOM 1342 CD ARG B 235 12.340 -6.523 1.819 1.00 0.00 C ATOM 1343 NE ARG B 235 13.339 -6.873 0.800 1.00 0.00 N ATOM 1344 CZ ARG B 235 14.545 -6.320 0.704 1.00 0.00 C ATOM 1345 NH1 ARG B 235 14.923 -5.385 1.549 1.00 0.00 N ATOM 1346 NH2 ARG B 235 15.374 -6.710 -0.244 1.00 0.00 N ATOM 0 H ARG B 235 14.548 -4.658 4.365 1.00 0.00 H new ATOM 0 HA ARG B 235 11.789 -5.036 3.711 1.00 0.00 H new ATOM 0 HB2 ARG B 235 14.175 -6.580 4.062 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.964 -7.246 5.139 1.00 0.00 H new ATOM 0 HG2 ARG B 235 13.064 -8.275 2.827 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.478 -7.750 3.355 1.00 0.00 H new ATOM 0 HD2 ARG B 235 11.340 -6.632 1.399 1.00 0.00 H new ATOM 0 HD3 ARG B 235 12.457 -5.475 2.097 1.00 0.00 H new ATOM 0 HE ARG B 235 13.090 -7.590 0.119 1.00 0.00 H new ATOM 0 HH11 ARG B 235 14.289 -5.078 2.287 1.00 0.00 H new ATOM 0 HH12 ARG B 235 15.850 -4.968 1.466 1.00 0.00 H new ATOM 0 HH21 ARG B 235 15.090 -7.435 -0.903 1.00 0.00 H new ATOM 0 HH22 ARG B 235 16.299 -6.287 -0.319 1.00 0.00 H new ATOM 1360 N LYS B 236 12.655 -4.915 6.890 1.00 0.00 N ATOM 1361 CA LYS B 236 12.133 -4.791 8.257 1.00 0.00 C ATOM 1362 C LYS B 236 10.872 -3.933 8.270 1.00 0.00 C ATOM 1363 O LYS B 236 9.886 -4.274 8.920 1.00 0.00 O ATOM 1364 CB LYS B 236 13.191 -4.182 9.185 1.00 0.00 C ATOM 1365 CG LYS B 236 13.352 -4.922 10.506 1.00 0.00 C ATOM 1366 CD LYS B 236 13.845 -6.347 10.295 1.00 0.00 C ATOM 1367 CE LYS B 236 12.720 -7.357 10.455 1.00 0.00 C ATOM 1368 NZ LYS B 236 12.526 -7.742 11.880 1.00 0.00 N ATOM 0 H LYS B 236 13.665 -4.794 6.817 1.00 0.00 H new ATOM 0 HA LYS B 236 11.884 -5.789 8.619 1.00 0.00 H new ATOM 0 HB2 LYS B 236 14.150 -4.169 8.667 1.00 0.00 H new ATOM 0 HB3 LYS B 236 12.926 -3.145 9.391 1.00 0.00 H new ATOM 0 HG2 LYS B 236 14.055 -4.384 11.142 1.00 0.00 H new ATOM 0 HG3 LYS B 236 12.397 -4.941 11.032 1.00 0.00 H new ATOM 0 HD2 LYS B 236 14.279 -6.439 9.299 1.00 0.00 H new ATOM 0 HD3 LYS B 236 14.638 -6.568 11.010 1.00 0.00 H new ATOM 0 HE2 LYS B 236 11.794 -6.936 10.062 1.00 0.00 H new ATOM 0 HE3 LYS B 236 12.942 -8.246 9.865 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 11.751 -8.432 11.951 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 13.402 -8.166 12.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 12.290 -6.897 12.439 1.00 0.00 H new ATOM 1382 N LEU B 237 10.910 -2.833 7.516 1.00 0.00 N ATOM 1383 CA LEU B 237 9.771 -1.920 7.396 1.00 0.00 C ATOM 1384 C LEU B 237 8.453 -2.689 7.176 1.00 0.00 C ATOM 1385 O LEU B 237 7.379 -2.230 7.579 1.00 0.00 O ATOM 1386 CB LEU B 237 10.035 -0.945 6.240 1.00 0.00 C ATOM 1387 CG LEU B 237 8.904 0.026 5.911 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.562 0.878 7.120 1.00 0.00 C ATOM 1389 CD2 LEU B 237 9.302 0.906 4.739 1.00 0.00 C ATOM 0 H LEU B 237 11.726 -2.551 6.974 1.00 0.00 H new ATOM 0 HA LEU B 237 9.663 -1.363 8.327 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.927 -0.365 6.477 1.00 0.00 H new ATOM 0 HB3 LEU B 237 10.260 -1.526 5.346 1.00 0.00 H new ATOM 0 HG LEU B 237 8.019 -0.548 5.638 1.00 0.00 H new ATOM 0 HD11 LEU B 237 7.754 1.564 6.865 1.00 0.00 H new ATOM 0 HD12 LEU B 237 8.247 0.234 7.941 1.00 0.00 H new ATOM 0 HD13 LEU B 237 9.440 1.449 7.423 1.00 0.00 H new ATOM 0 HD21 LEU B 237 8.490 1.596 4.510 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.197 1.472 4.996 1.00 0.00 H new ATOM 0 HD23 LEU B 237 9.505 0.283 3.868 1.00 0.00 H new HETATM 1401 N NLE B 238 8.549 -3.868 6.550 1.00 0.00 N HETATM 1402 CA NLE B 238 7.378 -4.709 6.289 1.00 0.00 C HETATM 1403 C NLE B 238 6.656 -5.094 7.585 1.00 0.00 C HETATM 1404 O NLE B 238 5.427 -5.080 7.637 1.00 0.00 O HETATM 1405 CB NLE B 238 7.787 -5.973 5.521 1.00 0.00 C HETATM 1406 CG NLE B 238 8.441 -5.693 4.176 1.00 0.00 C HETATM 1407 CD NLE B 238 7.647 -6.293 3.029 1.00 0.00 C HETATM 1408 CE NLE B 238 6.968 -5.256 2.169 1.00 0.00 C HETATM 0 HG3 NLE B 238 8.531 -4.616 4.032 1.00 0.00 H new HETATM 0 HG2 NLE B 238 9.452 -6.101 4.171 1.00 0.00 H new HETATM 0 HE3 NLE B 238 6.277 -4.674 2.778 1.00 0.00 H new HETATM 0 HE2 NLE B 238 7.718 -4.593 1.738 1.00 0.00 H new HETATM 0 HE1 NLE B 238 6.418 -5.751 1.368 1.00 0.00 H new HETATM 0 HD3 NLE B 238 8.314 -6.891 2.408 1.00 0.00 H new HETATM 0 HD2 NLE B 238 6.894 -6.971 3.432 1.00 0.00 H new HETATM 0 HB3 NLE B 238 8.476 -6.552 6.135 1.00 0.00 H new HETATM 0 HB2 NLE B 238 6.904 -6.592 5.363 1.00 0.00 H new HETATM 0 HA NLE B 238 6.686 -4.126 5.680 1.00 0.00 H new ATOM 1420 N GLU B 239 7.418 -5.421 8.634 1.00 0.00 N ATOM 1421 CA GLU B 239 6.827 -5.794 9.923 1.00 0.00 C ATOM 1422 C GLU B 239 6.063 -4.621 10.547 1.00 0.00 C ATOM 1423 O GLU B 239 5.169 -4.824 11.372 1.00 0.00 O ATOM 1424 CB GLU B 239 7.905 -6.309 10.889 1.00 0.00 C ATOM 1425 CG GLU B 239 8.911 -5.251 11.324 1.00 0.00 C ATOM 1426 CD GLU B 239 8.853 -4.955 12.807 1.00 0.00 C ATOM 1427 OE1 GLU B 239 8.020 -4.121 13.214 1.00 0.00 O ATOM 1428 OE2 GLU B 239 9.648 -5.558 13.560 1.00 0.00 O ATOM 0 H GLU B 239 8.438 -5.435 8.617 1.00 0.00 H new ATOM 0 HA GLU B 239 6.115 -6.598 9.739 1.00 0.00 H new ATOM 0 HB2 GLU B 239 7.418 -6.717 11.775 1.00 0.00 H new ATOM 0 HB3 GLU B 239 8.441 -7.130 10.413 1.00 0.00 H new ATOM 0 HG2 GLU B 239 9.916 -5.584 11.065 1.00 0.00 H new ATOM 0 HG3 GLU B 239 8.727 -4.332 10.768 1.00 0.00 H new ATOM 1435 N ILE B 240 6.404 -3.396 10.135 1.00 0.00 N ATOM 1436 CA ILE B 240 5.739 -2.198 10.642 1.00 0.00 C ATOM 1437 C ILE B 240 4.303 -2.087 10.117 1.00 0.00 C ATOM 1438 O ILE B 240 3.472 -1.393 10.706 1.00 0.00 O ATOM 1439 CB ILE B 240 6.496 -0.915 10.245 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.958 -0.973 10.671 1.00 0.00 C ATOM 1441 CG2 ILE B 240 5.821 0.303 10.857 1.00 0.00 C ATOM 1442 CD1 ILE B 240 8.711 0.289 10.317 1.00 0.00 C ATOM 0 H ILE B 240 7.138 -3.211 9.451 1.00 0.00 H new ATOM 0 HA ILE B 240 5.728 -2.295 11.728 1.00 0.00 H new ATOM 0 HB ILE B 240 6.468 -0.835 9.158 1.00 0.00 H new ATOM 0 HG12 ILE B 240 8.014 -1.137 11.747 1.00 0.00 H new ATOM 0 HG13 ILE B 240 8.439 -1.826 10.193 1.00 0.00 H new ATOM 0 HG21 ILE B 240 6.365 1.203 10.570 1.00 0.00 H new ATOM 0 HG22 ILE B 240 4.794 0.369 10.497 1.00 0.00 H new ATOM 0 HG23 ILE B 240 5.820 0.211 11.943 1.00 0.00 H new ATOM 0 HD11 ILE B 240 9.748 0.197 10.641 1.00 0.00 H new ATOM 0 HD12 ILE B 240 8.681 0.440 9.238 1.00 0.00 H new ATOM 0 HD13 ILE B 240 8.249 1.141 10.816 1.00 0.00 H new ATOM 1454 N ILE B 241 4.015 -2.765 9.002 1.00 0.00 N ATOM 1455 CA ILE B 241 2.680 -2.729 8.403 1.00 0.00 C ATOM 1456 C ILE B 241 1.638 -3.334 9.345 1.00 0.00 C ATOM 1457 O ILE B 241 0.433 -3.136 9.174 1.00 0.00 O ATOM 1458 CB ILE B 241 2.634 -3.482 7.051 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.759 -3.020 6.120 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.289 -3.278 6.375 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.824 -1.523 5.935 1.00 0.00 C ATOM 0 H ILE B 241 4.687 -3.344 8.498 1.00 0.00 H new ATOM 0 HA ILE B 241 2.447 -1.679 8.227 1.00 0.00 H new ATOM 0 HB ILE B 241 2.773 -4.543 7.258 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.712 -3.369 6.517 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.628 -3.491 5.146 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.274 -3.814 5.426 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.496 -3.658 7.019 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.130 -2.215 6.194 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.646 -1.275 5.263 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.886 -1.168 5.508 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.987 -1.044 6.900 1.00 0.00 H new TER 1473 ILE B 241