USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 947 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 119 GLN : amide:sc= -4.31! K(o=-15!,f=-2.2) USER MOD Set 1.2: A 120 THR OG1 : rot 180:sc= 0.0026 USER MOD Set 1.3: A 123 GLN : amide:sc= -10.3! K(o=-15!,f=-2) USER MOD Set 2.1: A 96 THR OG1 : rot -145:sc= 1.1 USER MOD Set 2.2: A 101 THR OG1 : rot 75:sc=0.000545 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl -174:sc= 0 (180deg=-0.0335) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 26 GLN : amide:sc= -5.49! K(o=-5.5!,f=-0.61) USER MOD Single : A 27 GLN : amide:sc= 0.495 K(o=0.5,f=-0.41) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.616 K(o=-0.62,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.649 K(o=0.65,f=-2) USER MOD Single : A 48 ASN : amide:sc= 0.0476 X(o=0.048,f=0) USER MOD Single : A 49 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.043) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 166:sc= 0 USER MOD Single : A 69 SER OG : rot 117:sc= 1.74 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc=-0.00367 X(o=-0.0037,f=-0.3) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -142:sc= 1.29 (180deg=-0.165) USER MOD Single : A 89 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.4) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 1.24 (180deg=1.07) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0051 USER MOD Single : A 98 GLN : amide:sc= -0.284 K(o=-0.28,f=-1.5) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 172:sc= 0.926 (180deg=0.875) USER MOD Single : A 104 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0.252 X(o=0.25,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0102) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -12.310 -19.969 1.421 1.00 0.00 N ATOM 2 CA GLY A 19 -12.174 -18.725 2.192 1.00 0.00 C ATOM 3 C GLY A 19 -11.804 -19.003 3.638 1.00 0.00 C ATOM 4 O GLY A 19 -12.663 -18.966 4.521 1.00 0.00 O ATOM 0 HA2 GLY A 19 -11.411 -18.094 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.111 -18.169 2.156 1.00 0.00 H new ATOM 8 N HIS A 20 -10.528 -19.299 3.893 1.00 0.00 N ATOM 9 CA HIS A 20 -9.922 -19.168 5.215 1.00 0.00 C ATOM 10 C HIS A 20 -9.620 -17.672 5.415 1.00 0.00 C ATOM 11 O HIS A 20 -9.994 -17.086 6.431 1.00 0.00 O ATOM 12 CB HIS A 20 -8.665 -20.056 5.279 1.00 0.00 C ATOM 13 CG HIS A 20 -8.332 -20.583 6.653 1.00 0.00 C ATOM 14 ND1 HIS A 20 -8.586 -21.856 7.124 1.00 0.00 N ATOM 15 CD2 HIS A 20 -7.637 -19.914 7.626 1.00 0.00 C ATOM 16 CE1 HIS A 20 -8.053 -21.946 8.354 1.00 0.00 C ATOM 17 NE2 HIS A 20 -7.452 -20.795 8.696 1.00 0.00 N ATOM 0 H HIS A 20 -9.883 -19.639 3.180 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.577 -19.503 6.019 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.800 -20.901 4.604 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.814 -19.484 4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.294 -18.891 7.576 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.101 -22.824 8.982 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.957 -20.601 9.567 1.00 0.00 H new ATOM 25 N MET A 21 -9.074 -17.038 4.372 1.00 0.00 N ATOM 26 CA MET A 21 -8.948 -15.595 4.184 1.00 0.00 C ATOM 27 C MET A 21 -9.870 -15.152 3.036 1.00 0.00 C ATOM 28 O MET A 21 -10.534 -15.985 2.400 1.00 0.00 O ATOM 29 CB MET A 21 -7.470 -15.204 3.980 1.00 0.00 C ATOM 30 CG MET A 21 -6.722 -16.072 2.956 1.00 0.00 C ATOM 31 SD MET A 21 -4.990 -15.615 2.686 1.00 0.00 S ATOM 32 CE MET A 21 -5.232 -14.129 1.686 1.00 0.00 C ATOM 0 H MET A 21 -8.683 -17.557 3.586 1.00 0.00 H new ATOM 0 HA MET A 21 -9.273 -15.063 5.078 1.00 0.00 H new ATOM 0 HB2 MET A 21 -7.422 -14.163 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 21 -6.954 -15.267 4.938 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.761 -17.111 3.285 1.00 0.00 H new ATOM 0 HG3 MET A 21 -7.249 -16.019 2.003 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.266 -13.766 1.334 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.865 -14.365 0.831 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.711 -13.358 2.290 1.00 0.00 H new ATOM 42 N LYS A 22 -9.954 -13.845 2.775 1.00 0.00 N ATOM 43 CA LYS A 22 -10.709 -13.222 1.682 1.00 0.00 C ATOM 44 C LYS A 22 -9.856 -12.088 1.098 1.00 0.00 C ATOM 45 O LYS A 22 -8.659 -12.046 1.375 1.00 0.00 O ATOM 46 CB LYS A 22 -12.093 -12.751 2.174 1.00 0.00 C ATOM 47 CG LYS A 22 -12.974 -13.908 2.668 1.00 0.00 C ATOM 48 CD LYS A 22 -14.437 -13.478 2.804 1.00 0.00 C ATOM 49 CE LYS A 22 -15.278 -14.697 3.187 1.00 0.00 C ATOM 50 NZ LYS A 22 -16.713 -14.466 2.939 1.00 0.00 N ATOM 0 H LYS A 22 -9.472 -13.155 3.351 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.910 -13.942 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.961 -12.031 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.604 -12.231 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.902 -14.744 1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.606 -14.262 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.533 -12.701 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.794 -13.053 1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.944 -15.564 2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.123 -14.930 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.253 -15.313 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.036 -13.654 3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.863 -14.268 1.929 1.00 0.00 H new ATOM 64 N PHE A 23 -10.447 -11.200 0.285 1.00 0.00 N ATOM 65 CA PHE A 23 -9.750 -10.146 -0.460 1.00 0.00 C ATOM 66 C PHE A 23 -8.611 -10.739 -1.325 1.00 0.00 C ATOM 67 O PHE A 23 -8.517 -11.962 -1.510 1.00 0.00 O ATOM 68 CB PHE A 23 -9.320 -8.991 0.484 1.00 0.00 C ATOM 69 CG PHE A 23 -10.372 -7.922 0.747 1.00 0.00 C ATOM 70 CD1 PHE A 23 -11.675 -8.285 1.125 1.00 0.00 C ATOM 71 CD2 PHE A 23 -10.067 -6.553 0.586 1.00 0.00 C ATOM 72 CE1 PHE A 23 -12.682 -7.313 1.215 1.00 0.00 C ATOM 73 CE2 PHE A 23 -11.053 -5.568 0.774 1.00 0.00 C ATOM 74 CZ PHE A 23 -12.374 -5.956 1.034 1.00 0.00 C ATOM 0 H PHE A 23 -11.454 -11.197 0.124 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.437 -9.689 -1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.020 -9.421 1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.439 -8.510 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.903 -9.317 1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.064 -6.258 0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.699 -7.610 1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.794 -4.521 0.718 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.154 -5.212 1.095 1.00 0.00 H new ATOM 84 N THR A 24 -7.804 -9.878 -1.938 1.00 0.00 N ATOM 85 CA THR A 24 -6.578 -10.192 -2.654 1.00 0.00 C ATOM 86 C THR A 24 -5.547 -9.118 -2.287 1.00 0.00 C ATOM 87 O THR A 24 -5.927 -7.980 -2.000 1.00 0.00 O ATOM 88 CB THR A 24 -6.869 -10.279 -4.169 1.00 0.00 C ATOM 89 OG1 THR A 24 -7.750 -9.293 -4.624 1.00 0.00 O ATOM 90 CG2 THR A 24 -7.529 -11.609 -4.535 1.00 0.00 C ATOM 0 H THR A 24 -8.005 -8.878 -1.947 1.00 0.00 H new ATOM 0 HA THR A 24 -6.172 -11.164 -2.373 1.00 0.00 H new ATOM 0 HB THR A 24 -5.891 -10.158 -4.635 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.892 -9.401 -5.588 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.720 -11.637 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.867 -12.431 -4.263 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.471 -11.708 -3.996 1.00 0.00 H new ATOM 98 N ASP A 25 -4.252 -9.452 -2.288 1.00 0.00 N ATOM 99 CA ASP A 25 -3.193 -8.541 -1.830 1.00 0.00 C ATOM 100 C ASP A 25 -3.203 -7.264 -2.664 1.00 0.00 C ATOM 101 O ASP A 25 -3.136 -6.163 -2.119 1.00 0.00 O ATOM 102 CB ASP A 25 -1.804 -9.190 -1.902 1.00 0.00 C ATOM 103 CG ASP A 25 -1.647 -10.357 -0.930 1.00 0.00 C ATOM 104 OD1 ASP A 25 -1.328 -10.134 0.265 1.00 0.00 O ATOM 105 OD2 ASP A 25 -1.835 -11.511 -1.355 1.00 0.00 O ATOM 0 H ASP A 25 -3.907 -10.358 -2.605 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.398 -8.304 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.624 -9.542 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.045 -8.438 -1.686 1.00 0.00 H new ATOM 110 N GLN A 26 -3.386 -7.421 -3.978 1.00 0.00 N ATOM 111 CA GLN A 26 -3.649 -6.366 -4.945 1.00 0.00 C ATOM 112 C GLN A 26 -4.696 -5.373 -4.421 1.00 0.00 C ATOM 113 O GLN A 26 -4.433 -4.173 -4.374 1.00 0.00 O ATOM 114 CB GLN A 26 -4.125 -7.047 -6.242 1.00 0.00 C ATOM 115 CG GLN A 26 -2.964 -7.462 -7.164 1.00 0.00 C ATOM 116 CD GLN A 26 -2.428 -6.360 -8.080 1.00 0.00 C ATOM 117 OE1 GLN A 26 -1.289 -6.432 -8.523 1.00 0.00 O ATOM 118 NE2 GLN A 26 -3.220 -5.371 -8.464 1.00 0.00 N ATOM 0 H GLN A 26 -3.351 -8.342 -4.414 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.745 -5.785 -5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.713 -7.929 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.785 -6.368 -6.781 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.144 -7.828 -6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.294 -8.297 -7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.170 -5.307 -8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.880 -4.673 -9.126 1.00 0.00 H new ATOM 127 N GLN A 27 -5.875 -5.874 -4.051 1.00 0.00 N ATOM 128 CA GLN A 27 -7.028 -5.079 -3.637 1.00 0.00 C ATOM 129 C GLN A 27 -6.815 -4.393 -2.284 1.00 0.00 C ATOM 130 O GLN A 27 -7.396 -3.336 -2.036 1.00 0.00 O ATOM 131 CB GLN A 27 -8.248 -6.008 -3.549 1.00 0.00 C ATOM 132 CG GLN A 27 -8.716 -6.541 -4.912 1.00 0.00 C ATOM 133 CD GLN A 27 -9.524 -5.527 -5.706 1.00 0.00 C ATOM 134 OE1 GLN A 27 -10.422 -4.880 -5.167 1.00 0.00 O ATOM 135 NE2 GLN A 27 -9.209 -5.379 -6.977 1.00 0.00 N ATOM 0 H GLN A 27 -6.058 -6.877 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.179 -4.291 -4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.006 -6.851 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.070 -5.470 -3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.846 -6.840 -5.496 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.319 -7.436 -4.757 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.458 -5.936 -7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.717 -4.708 -7.553 1.00 0.00 H new ATOM 144 N ILE A 28 -6.036 -5.000 -1.385 1.00 0.00 N ATOM 145 CA ILE A 28 -5.775 -4.456 -0.056 1.00 0.00 C ATOM 146 C ILE A 28 -4.698 -3.374 -0.141 1.00 0.00 C ATOM 147 O ILE A 28 -4.764 -2.391 0.601 1.00 0.00 O ATOM 148 CB ILE A 28 -5.367 -5.589 0.912 1.00 0.00 C ATOM 149 CG1 ILE A 28 -6.465 -6.670 1.019 1.00 0.00 C ATOM 150 CG2 ILE A 28 -5.079 -5.002 2.306 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.937 -8.006 1.543 1.00 0.00 C ATOM 0 H ILE A 28 -5.567 -5.888 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.683 -3.998 0.335 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.469 -6.062 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.255 -6.313 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.914 -6.823 0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.792 -5.804 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.267 -4.278 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.974 -4.508 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.755 -8.725 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.166 -8.382 0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.513 -7.865 2.537 1.00 0.00 H new ATOM 163 N GLY A 29 -3.726 -3.549 -1.036 1.00 0.00 N ATOM 164 CA GLY A 29 -2.566 -2.688 -1.153 1.00 0.00 C ATOM 165 C GLY A 29 -2.952 -1.239 -1.355 1.00 0.00 C ATOM 166 O GLY A 29 -2.429 -0.376 -0.652 1.00 0.00 O ATOM 0 H GLY A 29 -3.730 -4.313 -1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.956 -2.778 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.952 -3.019 -1.990 1.00 0.00 H new ATOM 170 N VAL A 30 -3.917 -0.957 -2.236 1.00 0.00 N ATOM 171 CA VAL A 30 -4.423 0.394 -2.448 1.00 0.00 C ATOM 172 C VAL A 30 -4.913 0.967 -1.114 1.00 0.00 C ATOM 173 O VAL A 30 -4.479 2.048 -0.736 1.00 0.00 O ATOM 174 CB VAL A 30 -5.497 0.387 -3.551 1.00 0.00 C ATOM 175 CG1 VAL A 30 -6.101 1.780 -3.746 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.886 -0.048 -4.895 1.00 0.00 C ATOM 0 H VAL A 30 -4.366 -1.662 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.630 1.053 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.272 -0.312 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.856 1.743 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.562 2.110 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.316 2.480 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.659 -0.047 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.094 0.646 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.471 -1.051 -4.798 1.00 0.00 H new ATOM 186 N LEU A 31 -5.752 0.250 -0.363 1.00 0.00 N ATOM 187 CA LEU A 31 -6.288 0.734 0.907 1.00 0.00 C ATOM 188 C LEU A 31 -5.157 1.064 1.885 1.00 0.00 C ATOM 189 O LEU A 31 -5.243 2.053 2.605 1.00 0.00 O ATOM 190 CB LEU A 31 -7.248 -0.305 1.519 1.00 0.00 C ATOM 191 CG LEU A 31 -8.370 -0.797 0.583 1.00 0.00 C ATOM 192 CD1 LEU A 31 -9.200 -1.897 1.255 1.00 0.00 C ATOM 193 CD2 LEU A 31 -9.301 0.345 0.204 1.00 0.00 C ATOM 0 H LEU A 31 -6.078 -0.682 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.847 1.649 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.665 -1.167 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.704 0.126 2.410 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.891 -1.193 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.985 -2.227 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.555 -2.740 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.651 -1.506 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.084 -0.028 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.753 0.760 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.734 1.122 -0.308 1.00 0.00 H new ATOM 205 N ALA A 32 -4.105 0.243 1.908 1.00 0.00 N ATOM 206 CA ALA A 32 -2.931 0.478 2.745 1.00 0.00 C ATOM 207 C ALA A 32 -2.190 1.759 2.341 1.00 0.00 C ATOM 208 O ALA A 32 -1.866 2.558 3.216 1.00 0.00 O ATOM 209 CB ALA A 32 -1.990 -0.733 2.721 1.00 0.00 C ATOM 0 H ALA A 32 -4.045 -0.605 1.345 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.283 0.616 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.124 -0.533 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.517 -1.611 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.660 -0.917 1.699 1.00 0.00 H new ATOM 215 N GLY A 33 -1.927 1.975 1.047 1.00 0.00 N ATOM 216 CA GLY A 33 -1.230 3.171 0.575 1.00 0.00 C ATOM 217 C GLY A 33 -2.091 4.424 0.750 1.00 0.00 C ATOM 218 O GLY A 33 -1.563 5.493 1.030 1.00 0.00 O ATOM 0 H GLY A 33 -2.191 1.328 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.296 3.290 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.969 3.051 -0.476 1.00 0.00 H new ATOM 222 N LEU A 34 -3.425 4.320 0.703 1.00 0.00 N ATOM 223 CA LEU A 34 -4.269 5.468 1.039 1.00 0.00 C ATOM 224 C LEU A 34 -4.046 5.894 2.492 1.00 0.00 C ATOM 225 O LEU A 34 -4.175 7.078 2.818 1.00 0.00 O ATOM 226 CB LEU A 34 -5.766 5.213 0.776 1.00 0.00 C ATOM 227 CG LEU A 34 -6.162 5.132 -0.712 1.00 0.00 C ATOM 228 CD1 LEU A 34 -7.674 4.956 -0.864 1.00 0.00 C ATOM 229 CD2 LEU A 34 -5.708 6.360 -1.514 1.00 0.00 C ATOM 0 H LEU A 34 -3.931 3.474 0.442 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.968 6.279 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.051 4.281 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.343 6.009 1.247 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.647 4.261 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.929 4.901 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.985 4.037 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.186 5.804 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.014 6.248 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.165 7.257 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.623 6.448 -1.462 1.00 0.00 H new ATOM 241 N ALA A 35 -3.665 4.956 3.363 1.00 0.00 N ATOM 242 CA ALA A 35 -3.371 5.226 4.755 1.00 0.00 C ATOM 243 C ALA A 35 -1.974 5.830 4.970 1.00 0.00 C ATOM 244 O ALA A 35 -1.721 6.275 6.091 1.00 0.00 O ATOM 245 CB ALA A 35 -3.531 3.929 5.562 1.00 0.00 C ATOM 0 H ALA A 35 -3.553 3.975 3.107 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.080 5.977 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.311 4.124 6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.554 3.565 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.841 3.176 5.181 1.00 0.00 H new ATOM 251 N ILE A 36 -1.072 5.817 3.979 1.00 0.00 N ATOM 252 CA ILE A 36 0.327 6.238 4.088 1.00 0.00 C ATOM 253 C ILE A 36 0.703 6.921 2.765 1.00 0.00 C ATOM 254 O ILE A 36 1.036 6.250 1.796 1.00 0.00 O ATOM 255 CB ILE A 36 1.255 5.025 4.384 1.00 0.00 C ATOM 256 CG1 ILE A 36 0.988 4.311 5.730 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.747 5.411 4.328 1.00 0.00 C ATOM 258 CD1 ILE A 36 1.271 5.121 7.001 1.00 0.00 C ATOM 0 H ILE A 36 -1.310 5.499 3.040 1.00 0.00 H new ATOM 0 HA ILE A 36 0.454 6.932 4.919 1.00 0.00 H new ATOM 0 HB ILE A 36 1.010 4.322 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.056 3.999 5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.592 3.404 5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.358 4.534 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.988 5.789 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.951 6.184 5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.046 4.513 7.877 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.321 5.411 7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.647 6.015 7.009 1.00 0.00 H new ATOM 270 N SER A 37 0.680 8.253 2.733 1.00 0.00 N ATOM 271 CA SER A 37 0.926 9.064 1.542 1.00 0.00 C ATOM 272 C SER A 37 -0.034 8.707 0.389 1.00 0.00 C ATOM 273 O SER A 37 0.380 8.212 -0.664 1.00 0.00 O ATOM 274 CB SER A 37 2.411 9.044 1.160 1.00 0.00 C ATOM 275 OG SER A 37 2.713 10.254 0.497 1.00 0.00 O ATOM 0 H SER A 37 0.483 8.815 3.561 1.00 0.00 H new ATOM 0 HA SER A 37 0.695 10.103 1.778 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.031 8.933 2.050 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.626 8.193 0.514 1.00 0.00 H new ATOM 0 HG SER A 37 3.660 10.262 0.245 1.00 0.00 H new ATOM 281 N PRO A 38 -1.335 9.024 0.547 1.00 0.00 N ATOM 282 CA PRO A 38 -2.323 8.802 -0.499 1.00 0.00 C ATOM 283 C PRO A 38 -1.977 9.609 -1.749 1.00 0.00 C ATOM 284 O PRO A 38 -2.194 9.137 -2.859 1.00 0.00 O ATOM 285 CB PRO A 38 -3.669 9.248 0.093 1.00 0.00 C ATOM 286 CG PRO A 38 -3.279 10.220 1.203 1.00 0.00 C ATOM 287 CD PRO A 38 -1.953 9.660 1.701 1.00 0.00 C ATOM 0 HA PRO A 38 -2.354 7.757 -0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.295 9.730 -0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.234 8.401 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.172 11.238 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.027 10.249 1.995 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.318 10.452 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.109 8.942 2.507 1.00 0.00 H new ATOM 295 N GLU A 39 -1.471 10.832 -1.581 1.00 0.00 N ATOM 296 CA GLU A 39 -1.217 11.762 -2.670 1.00 0.00 C ATOM 297 C GLU A 39 -0.127 11.257 -3.614 1.00 0.00 C ATOM 298 O GLU A 39 -0.368 11.233 -4.819 1.00 0.00 O ATOM 299 CB GLU A 39 -0.949 13.159 -2.103 1.00 0.00 C ATOM 300 CG GLU A 39 0.256 13.299 -1.154 1.00 0.00 C ATOM 301 CD GLU A 39 1.418 14.035 -1.818 1.00 0.00 C ATOM 302 OE1 GLU A 39 1.222 15.234 -2.130 1.00 0.00 O ATOM 303 OE2 GLU A 39 2.494 13.427 -2.010 1.00 0.00 O ATOM 0 H GLU A 39 -1.223 11.206 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.107 11.834 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.806 13.844 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.842 13.488 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.049 13.836 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.586 12.310 -0.837 1.00 0.00 H new ATOM 310 N TRP A 40 1.008 10.780 -3.085 1.00 0.00 N ATOM 311 CA TRP A 40 2.068 10.167 -3.880 1.00 0.00 C ATOM 312 C TRP A 40 1.470 9.058 -4.740 1.00 0.00 C ATOM 313 O TRP A 40 1.623 9.062 -5.962 1.00 0.00 O ATOM 314 CB TRP A 40 3.186 9.643 -2.959 1.00 0.00 C ATOM 315 CG TRP A 40 4.203 8.740 -3.602 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.299 9.130 -4.293 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.211 7.285 -3.659 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.993 8.030 -4.763 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.344 6.864 -4.418 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.368 6.278 -3.140 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.612 5.512 -4.662 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.607 4.918 -3.411 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.725 4.536 -4.176 1.00 0.00 C ATOM 0 H TRP A 40 1.213 10.811 -2.086 1.00 0.00 H new ATOM 0 HA TRP A 40 2.517 10.908 -4.542 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.708 10.499 -2.532 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.725 9.105 -2.131 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.591 10.157 -4.455 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.864 8.075 -5.292 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.525 6.556 -2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.491 5.222 -5.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.931 4.166 -3.031 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.901 3.492 -4.390 1.00 0.00 H new ATOM 334 N LEU A 41 0.740 8.119 -4.132 1.00 0.00 N ATOM 335 CA LEU A 41 0.131 7.033 -4.886 1.00 0.00 C ATOM 336 C LEU A 41 -0.803 7.575 -5.965 1.00 0.00 C ATOM 337 O LEU A 41 -0.684 7.192 -7.126 1.00 0.00 O ATOM 338 CB LEU A 41 -0.602 6.082 -3.946 1.00 0.00 C ATOM 339 CG LEU A 41 -1.331 4.972 -4.735 1.00 0.00 C ATOM 340 CD1 LEU A 41 -1.120 3.647 -4.006 1.00 0.00 C ATOM 341 CD2 LEU A 41 -2.820 5.268 -4.981 1.00 0.00 C ATOM 0 H LEU A 41 0.560 8.093 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 41 0.921 6.474 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.108 5.633 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.322 6.640 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.899 4.920 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.628 2.849 -4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.054 3.427 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.528 3.718 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.267 4.446 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.332 5.377 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.918 6.191 -5.553 1.00 0.00 H new ATOM 353 N LYS A 42 -1.734 8.452 -5.595 1.00 0.00 N ATOM 354 CA LYS A 42 -2.746 8.974 -6.509 1.00 0.00 C ATOM 355 C LYS A 42 -2.100 9.659 -7.713 1.00 0.00 C ATOM 356 O LYS A 42 -2.625 9.521 -8.824 1.00 0.00 O ATOM 357 CB LYS A 42 -3.693 9.908 -5.737 1.00 0.00 C ATOM 358 CG LYS A 42 -4.655 9.142 -4.809 1.00 0.00 C ATOM 359 CD LYS A 42 -5.358 10.085 -3.820 1.00 0.00 C ATOM 360 CE LYS A 42 -6.508 9.348 -3.111 1.00 0.00 C ATOM 361 NZ LYS A 42 -7.734 10.168 -3.015 1.00 0.00 N ATOM 0 H LYS A 42 -1.807 8.822 -4.647 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.336 8.150 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.104 10.608 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.272 10.499 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.401 8.620 -5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.101 8.382 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.642 10.451 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.745 10.956 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.732 8.428 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.188 9.061 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.477 9.626 -2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.531 11.035 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.058 10.421 -3.970 1.00 0.00 H new ATOM 375 N GLN A 43 -0.958 10.335 -7.542 1.00 0.00 N ATOM 376 CA GLN A 43 -0.246 10.984 -8.629 1.00 0.00 C ATOM 377 C GLN A 43 0.336 9.897 -9.517 1.00 0.00 C ATOM 378 O GLN A 43 0.105 9.884 -10.722 1.00 0.00 O ATOM 379 CB GLN A 43 0.869 11.863 -8.053 1.00 0.00 C ATOM 380 CG GLN A 43 0.315 13.161 -7.448 1.00 0.00 C ATOM 381 CD GLN A 43 1.279 13.876 -6.502 1.00 0.00 C ATOM 382 OE1 GLN A 43 0.892 14.864 -5.889 1.00 0.00 O ATOM 383 NE2 GLN A 43 2.505 13.417 -6.311 1.00 0.00 N ATOM 0 H GLN A 43 -0.505 10.443 -6.634 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.915 11.618 -9.211 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.411 11.308 -7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.585 12.104 -8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.048 13.840 -8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.604 12.933 -6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.827 12.595 -6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.128 13.885 -5.653 1.00 0.00 H new ATOM 392 N ASN A 44 1.042 8.938 -8.917 1.00 0.00 N ATOM 393 CA ASN A 44 1.699 7.867 -9.648 1.00 0.00 C ATOM 394 C ASN A 44 0.714 7.036 -10.469 1.00 0.00 C ATOM 395 O ASN A 44 1.067 6.639 -11.576 1.00 0.00 O ATOM 396 CB ASN A 44 2.458 6.946 -8.698 1.00 0.00 C ATOM 397 CG ASN A 44 3.808 7.489 -8.315 1.00 0.00 C ATOM 398 OD1 ASN A 44 4.761 7.281 -9.053 1.00 0.00 O ATOM 399 ND2 ASN A 44 3.927 8.172 -7.192 1.00 0.00 N ATOM 0 H ASN A 44 1.172 8.887 -7.907 1.00 0.00 H new ATOM 0 HA ASN A 44 2.397 8.346 -10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.864 6.792 -7.797 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.584 5.970 -9.168 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.835 8.545 -6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.111 8.327 -6.600 1.00 0.00 H new ATOM 406 N ILE A 45 -0.495 6.759 -9.960 1.00 0.00 N ATOM 407 CA ILE A 45 -1.549 6.083 -10.716 1.00 0.00 C ATOM 408 C ILE A 45 -1.909 6.921 -11.945 1.00 0.00 C ATOM 409 O ILE A 45 -1.890 6.401 -13.060 1.00 0.00 O ATOM 410 CB ILE A 45 -2.786 5.819 -9.824 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.516 4.808 -8.689 1.00 0.00 C ATOM 412 CG2 ILE A 45 -4.001 5.348 -10.646 1.00 0.00 C ATOM 413 CD1 ILE A 45 -2.207 3.370 -9.126 1.00 0.00 C ATOM 0 H ILE A 45 -0.767 7.001 -9.007 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.186 5.112 -11.052 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.012 6.782 -9.367 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.678 5.174 -8.096 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.386 4.788 -8.033 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.846 5.175 -9.980 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.265 6.113 -11.376 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.752 4.422 -11.165 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.035 2.751 -8.245 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.050 2.972 -9.690 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.316 3.364 -9.753 1.00 0.00 H new ATOM 425 N ALA A 46 -2.230 8.206 -11.753 1.00 0.00 N ATOM 426 CA ALA A 46 -2.600 9.091 -12.851 1.00 0.00 C ATOM 427 C ALA A 46 -1.484 9.155 -13.895 1.00 0.00 C ATOM 428 O ALA A 46 -1.754 9.109 -15.095 1.00 0.00 O ATOM 429 CB ALA A 46 -2.934 10.483 -12.307 1.00 0.00 C ATOM 0 H ALA A 46 -2.239 8.654 -10.837 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.487 8.693 -13.344 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.210 11.140 -13.132 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.767 10.410 -11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.064 10.891 -11.794 1.00 0.00 H new ATOM 435 N ALA A 47 -0.234 9.219 -13.432 1.00 0.00 N ATOM 436 CA ALA A 47 0.969 9.216 -14.247 1.00 0.00 C ATOM 437 C ALA A 47 1.234 7.868 -14.924 1.00 0.00 C ATOM 438 O ALA A 47 1.962 7.825 -15.911 1.00 0.00 O ATOM 439 CB ALA A 47 2.157 9.632 -13.375 1.00 0.00 C ATOM 0 H ALA A 47 -0.030 9.277 -12.434 1.00 0.00 H new ATOM 0 HA ALA A 47 0.827 9.930 -15.058 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.066 9.634 -13.976 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.984 10.632 -12.977 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.268 8.927 -12.551 1.00 0.00 H new ATOM 445 N ASN A 48 0.621 6.774 -14.468 1.00 0.00 N ATOM 446 CA ASN A 48 0.928 5.396 -14.862 1.00 0.00 C ATOM 447 C ASN A 48 2.396 5.050 -14.547 1.00 0.00 C ATOM 448 O ASN A 48 3.029 4.271 -15.260 1.00 0.00 O ATOM 449 CB ASN A 48 0.518 5.143 -16.326 1.00 0.00 C ATOM 450 CG ASN A 48 0.228 3.677 -16.630 1.00 0.00 C ATOM 451 OD1 ASN A 48 -0.921 3.255 -16.590 1.00 0.00 O ATOM 452 ND2 ASN A 48 1.217 2.894 -17.018 1.00 0.00 N ATOM 0 H ASN A 48 -0.135 6.825 -13.785 1.00 0.00 H new ATOM 0 HA ASN A 48 0.331 4.706 -14.266 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.368 5.736 -16.555 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.314 5.492 -16.984 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.028 1.929 -17.288 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.171 3.254 -17.048 1.00 0.00 H new ATOM 459 N GLN A 49 2.960 5.673 -13.501 1.00 0.00 N ATOM 460 CA GLN A 49 4.361 5.520 -13.088 1.00 0.00 C ATOM 461 C GLN A 49 4.545 4.452 -12.009 1.00 0.00 C ATOM 462 O GLN A 49 5.670 4.015 -11.750 1.00 0.00 O ATOM 463 CB GLN A 49 4.887 6.862 -12.532 1.00 0.00 C ATOM 464 CG GLN A 49 5.257 7.902 -13.600 1.00 0.00 C ATOM 465 CD GLN A 49 6.647 7.645 -14.179 1.00 0.00 C ATOM 466 OE1 GLN A 49 7.608 8.367 -13.906 1.00 0.00 O ATOM 467 NE2 GLN A 49 6.792 6.571 -14.926 1.00 0.00 N ATOM 0 H GLN A 49 2.439 6.315 -12.903 1.00 0.00 H new ATOM 0 HA GLN A 49 4.917 5.210 -13.973 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.128 7.290 -11.876 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.765 6.665 -11.917 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.519 7.879 -14.402 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.223 8.900 -13.163 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.984 5.986 -15.141 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.712 6.323 -15.290 1.00 0.00 H new ATOM 476 N LEU A 50 3.460 4.058 -11.350 1.00 0.00 N ATOM 477 CA LEU A 50 3.453 3.218 -10.164 1.00 0.00 C ATOM 478 C LEU A 50 3.583 1.755 -10.573 1.00 0.00 C ATOM 479 O LEU A 50 2.835 1.298 -11.445 1.00 0.00 O ATOM 480 CB LEU A 50 2.115 3.409 -9.420 1.00 0.00 C ATOM 481 CG LEU A 50 2.280 3.549 -7.894 1.00 0.00 C ATOM 482 CD1 LEU A 50 0.905 3.645 -7.252 1.00 0.00 C ATOM 483 CD2 LEU A 50 3.039 2.438 -7.182 1.00 0.00 C ATOM 0 H LEU A 50 2.522 4.329 -11.644 1.00 0.00 H new ATOM 0 HA LEU A 50 4.287 3.494 -9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.616 4.297 -9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.465 2.560 -9.632 1.00 0.00 H new ATOM 0 HG LEU A 50 2.887 4.446 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.014 3.744 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.380 4.515 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.334 2.744 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.085 2.655 -6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.526 1.489 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.050 2.373 -7.583 1.00 0.00 H new ATOM 495 N VAL A 51 4.427 0.999 -9.876 1.00 0.00 N ATOM 496 CA VAL A 51 4.529 -0.447 -9.986 1.00 0.00 C ATOM 497 C VAL A 51 4.275 -1.049 -8.593 1.00 0.00 C ATOM 498 O VAL A 51 4.623 -0.478 -7.553 1.00 0.00 O ATOM 499 CB VAL A 51 5.899 -0.842 -10.580 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.017 -2.359 -10.796 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.215 -0.155 -11.924 1.00 0.00 C ATOM 0 H VAL A 51 5.079 1.393 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 51 3.781 -0.846 -10.671 1.00 0.00 H new ATOM 0 HB VAL A 51 6.618 -0.502 -9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.996 -2.592 -11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.899 -2.873 -9.842 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.240 -2.690 -11.485 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.193 -0.482 -12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.455 -0.424 -12.657 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.221 0.926 -11.787 1.00 0.00 H new ATOM 511 N TYR A 52 3.645 -2.219 -8.595 1.00 0.00 N ATOM 512 CA TYR A 52 3.384 -3.097 -7.468 1.00 0.00 C ATOM 513 C TYR A 52 4.335 -4.283 -7.607 1.00 0.00 C ATOM 514 O TYR A 52 4.460 -4.811 -8.714 1.00 0.00 O ATOM 515 CB TYR A 52 1.924 -3.556 -7.581 1.00 0.00 C ATOM 516 CG TYR A 52 1.540 -4.741 -6.718 1.00 0.00 C ATOM 517 CD1 TYR A 52 1.232 -4.568 -5.358 1.00 0.00 C ATOM 518 CD2 TYR A 52 1.506 -6.031 -7.278 1.00 0.00 C ATOM 519 CE1 TYR A 52 0.890 -5.681 -4.570 1.00 0.00 C ATOM 520 CE2 TYR A 52 1.214 -7.150 -6.482 1.00 0.00 C ATOM 521 CZ TYR A 52 0.883 -6.979 -5.121 1.00 0.00 C ATOM 522 OH TYR A 52 0.535 -8.036 -4.336 1.00 0.00 O ATOM 0 H TYR A 52 3.273 -2.607 -9.462 1.00 0.00 H new ATOM 0 HA TYR A 52 3.537 -2.613 -6.503 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.278 -2.717 -7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.721 -3.807 -8.622 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.258 -3.582 -4.919 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.707 -6.162 -8.331 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.630 -5.540 -3.531 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.243 -8.141 -6.911 1.00 0.00 H new ATOM 0 HH TYR A 52 0.578 -8.862 -4.862 1.00 0.00 H new ATOM 532 N GLY A 53 4.977 -4.727 -6.524 1.00 0.00 N ATOM 533 CA GLY A 53 5.902 -5.844 -6.590 1.00 0.00 C ATOM 534 C GLY A 53 6.037 -6.610 -5.271 1.00 0.00 C ATOM 535 O GLY A 53 5.408 -6.308 -4.253 1.00 0.00 O ATOM 0 H GLY A 53 4.868 -4.325 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.571 -6.533 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.883 -5.475 -6.887 1.00 0.00 H new ATOM 539 N ILE A 54 6.860 -7.651 -5.330 1.00 0.00 N ATOM 540 CA ILE A 54 7.077 -8.677 -4.325 1.00 0.00 C ATOM 541 C ILE A 54 8.556 -8.818 -4.113 1.00 0.00 C ATOM 542 O ILE A 54 9.379 -8.788 -5.026 1.00 0.00 O ATOM 543 CB ILE A 54 6.451 -9.991 -4.828 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.926 -9.895 -5.005 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.830 -11.164 -3.911 1.00 0.00 C ATOM 546 CD1 ILE A 54 4.136 -9.800 -3.696 1.00 0.00 C ATOM 0 H ILE A 54 7.440 -7.809 -6.154 1.00 0.00 H new ATOM 0 HA ILE A 54 6.612 -8.416 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 54 6.865 -10.178 -5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.699 -9.021 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.582 -10.769 -5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.376 -12.081 -4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.914 -11.276 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.469 -10.968 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.071 -9.736 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.328 -10.685 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.446 -8.911 -3.147 1.00 0.00 H new ATOM 558 N VAL A 55 8.791 -8.934 -2.823 1.00 0.00 N ATOM 559 CA VAL A 55 10.003 -9.100 -2.124 1.00 0.00 C ATOM 560 C VAL A 55 10.538 -10.511 -2.397 1.00 0.00 C ATOM 561 O VAL A 55 11.428 -10.645 -3.242 1.00 0.00 O ATOM 562 CB VAL A 55 9.670 -8.705 -0.669 1.00 0.00 C ATOM 563 CG1 VAL A 55 9.633 -7.183 -0.495 1.00 0.00 C ATOM 564 CG2 VAL A 55 8.405 -9.228 -0.038 1.00 0.00 C ATOM 0 H VAL A 55 8.009 -8.907 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 55 10.839 -8.472 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 55 10.491 -9.200 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.396 -6.941 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.606 -6.764 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.871 -6.760 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.326 -8.855 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.544 -8.890 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.428 -10.318 -0.025 1.00 0.00 H new ATOM 574 N LYS A 56 9.954 -11.560 -1.783 1.00 0.00 N ATOM 575 CA LYS A 56 10.435 -12.947 -1.831 1.00 0.00 C ATOM 576 C LYS A 56 11.894 -13.055 -1.365 1.00 0.00 C ATOM 577 O LYS A 56 12.560 -12.038 -1.169 1.00 0.00 O ATOM 578 CB LYS A 56 10.172 -13.545 -3.227 1.00 0.00 C ATOM 579 CG LYS A 56 8.718 -14.034 -3.381 1.00 0.00 C ATOM 580 CD LYS A 56 8.556 -15.519 -3.023 1.00 0.00 C ATOM 581 CE LYS A 56 7.119 -16.045 -3.168 1.00 0.00 C ATOM 582 NZ LYS A 56 6.687 -16.217 -4.574 1.00 0.00 N ATOM 0 H LYS A 56 9.108 -11.457 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 56 9.872 -13.553 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.385 -12.795 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.855 -14.377 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.068 -13.437 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.391 -13.873 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.214 -16.110 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.886 -15.672 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.038 -17.002 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.437 -15.356 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.710 -16.574 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.732 -15.302 -5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.315 -16.897 -5.049 1.00 0.00 H new ATOM 596 N PRO A 57 12.428 -14.259 -1.098 1.00 0.00 N ATOM 597 CA PRO A 57 13.870 -14.448 -0.971 1.00 0.00 C ATOM 598 C PRO A 57 14.563 -14.217 -2.328 1.00 0.00 C ATOM 599 O PRO A 57 14.962 -15.168 -3.011 1.00 0.00 O ATOM 600 CB PRO A 57 14.041 -15.872 -0.440 1.00 0.00 C ATOM 601 CG PRO A 57 12.819 -16.602 -0.991 1.00 0.00 C ATOM 602 CD PRO A 57 11.732 -15.529 -0.950 1.00 0.00 C ATOM 0 HA PRO A 57 14.337 -13.734 -0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.970 -16.323 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.066 -15.895 0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.989 -16.966 -2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.556 -17.467 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.008 -15.674 -1.751 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.180 -15.566 -0.011 1.00 0.00 H new ATOM 610 N SER A 58 14.653 -12.958 -2.755 1.00 0.00 N ATOM 611 CA SER A 58 15.347 -12.538 -3.962 1.00 0.00 C ATOM 612 C SER A 58 15.853 -11.089 -3.880 1.00 0.00 C ATOM 613 O SER A 58 17.067 -10.894 -3.980 1.00 0.00 O ATOM 614 CB SER A 58 14.442 -12.789 -5.173 1.00 0.00 C ATOM 615 OG SER A 58 15.201 -12.947 -6.351 1.00 0.00 O ATOM 0 H SER A 58 14.229 -12.180 -2.250 1.00 0.00 H new ATOM 0 HA SER A 58 16.250 -13.137 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.840 -13.682 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.749 -11.956 -5.292 1.00 0.00 H new ATOM 0 HG SER A 58 14.600 -13.108 -7.108 1.00 0.00 H new ATOM 621 N ASP A 59 14.985 -10.066 -3.769 1.00 0.00 N ATOM 622 CA ASP A 59 15.448 -8.664 -3.850 1.00 0.00 C ATOM 623 C ASP A 59 16.121 -8.236 -2.549 1.00 0.00 C ATOM 624 O ASP A 59 16.113 -8.964 -1.556 1.00 0.00 O ATOM 625 CB ASP A 59 14.330 -7.659 -4.170 1.00 0.00 C ATOM 626 CG ASP A 59 14.756 -6.570 -5.166 1.00 0.00 C ATOM 627 OD1 ASP A 59 15.751 -5.844 -4.919 1.00 0.00 O ATOM 628 OD2 ASP A 59 14.023 -6.367 -6.167 1.00 0.00 O ATOM 0 H ASP A 59 13.981 -10.177 -3.626 1.00 0.00 H new ATOM 0 HA ASP A 59 16.157 -8.648 -4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.473 -8.197 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.001 -7.186 -3.245 1.00 0.00 H new ATOM 633 N THR A 60 16.662 -7.024 -2.517 1.00 0.00 N ATOM 634 CA THR A 60 17.342 -6.482 -1.362 1.00 0.00 C ATOM 635 C THR A 60 16.297 -5.681 -0.567 1.00 0.00 C ATOM 636 O THR A 60 15.657 -4.766 -1.101 1.00 0.00 O ATOM 637 CB THR A 60 18.556 -5.698 -1.881 1.00 0.00 C ATOM 638 OG1 THR A 60 19.586 -5.641 -0.919 1.00 0.00 O ATOM 639 CG2 THR A 60 18.200 -4.274 -2.298 1.00 0.00 C ATOM 0 H THR A 60 16.636 -6.384 -3.311 1.00 0.00 H new ATOM 0 HA THR A 60 17.745 -7.218 -0.667 1.00 0.00 H new ATOM 0 HB THR A 60 18.902 -6.243 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 60 20.344 -5.137 -1.281 1.00 0.00 H new ATOM 0 HG21 THR A 60 19.095 -3.765 -2.657 1.00 0.00 H new ATOM 0 HG22 THR A 60 17.456 -4.303 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 60 17.795 -3.735 -1.442 1.00 0.00 H new ATOM 647 N VAL A 61 16.068 -6.043 0.689 1.00 0.00 N ATOM 648 CA VAL A 61 15.062 -5.425 1.544 1.00 0.00 C ATOM 649 C VAL A 61 15.527 -5.512 3.009 1.00 0.00 C ATOM 650 O VAL A 61 16.430 -6.296 3.323 1.00 0.00 O ATOM 651 CB VAL A 61 13.674 -6.070 1.297 1.00 0.00 C ATOM 652 CG1 VAL A 61 13.028 -5.608 -0.015 1.00 0.00 C ATOM 653 CG2 VAL A 61 13.694 -7.604 1.285 1.00 0.00 C ATOM 0 H VAL A 61 16.587 -6.790 1.151 1.00 0.00 H new ATOM 0 HA VAL A 61 14.948 -4.368 1.301 1.00 0.00 H new ATOM 0 HB VAL A 61 13.085 -5.728 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.059 -6.093 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.893 -4.527 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.673 -5.876 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.686 -7.980 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.357 -7.953 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.053 -7.971 2.247 1.00 0.00 H new ATOM 663 N PRO A 62 14.976 -4.688 3.917 1.00 0.00 N ATOM 664 CA PRO A 62 15.347 -4.734 5.324 1.00 0.00 C ATOM 665 C PRO A 62 14.799 -5.994 5.997 1.00 0.00 C ATOM 666 O PRO A 62 13.784 -6.545 5.570 1.00 0.00 O ATOM 667 CB PRO A 62 14.754 -3.467 5.951 1.00 0.00 C ATOM 668 CG PRO A 62 13.593 -3.108 5.030 1.00 0.00 C ATOM 669 CD PRO A 62 14.043 -3.602 3.662 1.00 0.00 C ATOM 0 HA PRO A 62 16.429 -4.771 5.451 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.413 -3.648 6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.489 -2.664 5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.669 -3.592 5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.405 -2.034 5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.194 -3.947 3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.520 -2.802 3.095 1.00 0.00 H new ATOM 677 N ALA A 63 15.402 -6.383 7.124 1.00 0.00 N ATOM 678 CA ALA A 63 14.902 -7.478 7.946 1.00 0.00 C ATOM 679 C ALA A 63 13.449 -7.193 8.344 1.00 0.00 C ATOM 680 O ALA A 63 13.145 -6.093 8.837 1.00 0.00 O ATOM 681 CB ALA A 63 15.797 -7.673 9.173 1.00 0.00 C ATOM 0 H ALA A 63 16.249 -5.946 7.488 1.00 0.00 H new ATOM 0 HA ALA A 63 14.925 -8.407 7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.412 -8.494 9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.812 -7.906 8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.806 -6.758 9.766 1.00 0.00 H new ATOM 687 N GLY A 64 12.564 -8.166 8.130 1.00 0.00 N ATOM 688 CA GLY A 64 11.163 -8.150 8.529 1.00 0.00 C ATOM 689 C GLY A 64 10.175 -7.832 7.399 1.00 0.00 C ATOM 690 O GLY A 64 9.112 -7.293 7.709 1.00 0.00 O ATOM 0 H GLY A 64 12.821 -9.028 7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.909 -9.122 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.034 -7.414 9.323 1.00 0.00 H new ATOM 694 N VAL A 65 10.529 -8.047 6.125 1.00 0.00 N ATOM 695 CA VAL A 65 9.609 -7.932 4.978 1.00 0.00 C ATOM 696 C VAL A 65 9.900 -9.048 3.950 1.00 0.00 C ATOM 697 O VAL A 65 10.397 -8.803 2.853 1.00 0.00 O ATOM 698 CB VAL A 65 9.641 -6.506 4.365 1.00 0.00 C ATOM 699 CG1 VAL A 65 8.898 -5.473 5.222 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.042 -5.932 4.126 1.00 0.00 C ATOM 0 H VAL A 65 11.477 -8.310 5.855 1.00 0.00 H new ATOM 0 HA VAL A 65 8.586 -8.077 5.325 1.00 0.00 H new ATOM 0 HB VAL A 65 9.149 -6.662 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.954 -4.495 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.854 -5.768 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.358 -5.421 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.958 -4.934 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.578 -5.875 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.588 -6.578 3.438 1.00 0.00 H new ATOM 710 N ASP A 66 9.582 -10.295 4.303 1.00 0.00 N ATOM 711 CA ASP A 66 9.915 -11.522 3.548 1.00 0.00 C ATOM 712 C ASP A 66 8.922 -11.880 2.449 1.00 0.00 C ATOM 713 O ASP A 66 9.162 -12.721 1.584 1.00 0.00 O ATOM 714 CB ASP A 66 9.996 -12.664 4.571 1.00 0.00 C ATOM 715 CG ASP A 66 10.736 -13.895 4.065 1.00 0.00 C ATOM 716 OD1 ASP A 66 11.979 -13.915 4.228 1.00 0.00 O ATOM 717 OD2 ASP A 66 10.087 -14.864 3.624 1.00 0.00 O ATOM 0 H ASP A 66 9.063 -10.495 5.158 1.00 0.00 H new ATOM 0 HA ASP A 66 10.857 -11.352 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.492 -12.298 5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.985 -12.953 4.859 1.00 0.00 H new ATOM 722 N ASP A 67 7.793 -11.194 2.477 1.00 0.00 N ATOM 723 CA ASP A 67 6.575 -11.509 1.743 1.00 0.00 C ATOM 724 C ASP A 67 5.588 -10.343 1.865 1.00 0.00 C ATOM 725 O ASP A 67 4.382 -10.516 1.732 1.00 0.00 O ATOM 726 CB ASP A 67 5.993 -12.896 2.130 1.00 0.00 C ATOM 727 CG ASP A 67 4.978 -12.973 3.278 1.00 0.00 C ATOM 728 OD1 ASP A 67 5.360 -12.820 4.466 1.00 0.00 O ATOM 729 OD2 ASP A 67 3.816 -13.348 2.989 1.00 0.00 O ATOM 0 H ASP A 67 7.694 -10.353 3.045 1.00 0.00 H new ATOM 0 HA ASP A 67 6.807 -11.616 0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.521 -13.316 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.830 -13.547 2.384 1.00 0.00 H new ATOM 734 N TYR A 68 6.109 -9.132 2.093 1.00 0.00 N ATOM 735 CA TYR A 68 5.358 -7.885 2.177 1.00 0.00 C ATOM 736 C TYR A 68 5.397 -7.235 0.799 1.00 0.00 C ATOM 737 O TYR A 68 6.458 -6.755 0.399 1.00 0.00 O ATOM 738 CB TYR A 68 6.011 -6.943 3.193 1.00 0.00 C ATOM 739 CG TYR A 68 5.698 -7.179 4.662 1.00 0.00 C ATOM 740 CD1 TYR A 68 5.706 -8.474 5.217 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.322 -6.088 5.472 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.343 -8.670 6.559 1.00 0.00 C ATOM 743 CE2 TYR A 68 5.001 -6.276 6.827 1.00 0.00 C ATOM 744 CZ TYR A 68 5.016 -7.572 7.382 1.00 0.00 C ATOM 745 OH TYR A 68 4.692 -7.752 8.690 1.00 0.00 O ATOM 0 H TYR A 68 7.110 -8.994 2.229 1.00 0.00 H new ATOM 0 HA TYR A 68 4.334 -8.082 2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.092 -7.004 3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.718 -5.923 2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.992 -9.319 4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.280 -5.096 5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.314 -9.670 6.965 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.743 -5.428 7.443 1.00 0.00 H new ATOM 0 HH TYR A 68 4.711 -6.889 9.154 1.00 0.00 H new ATOM 755 N SER A 69 4.305 -7.264 0.042 1.00 0.00 N ATOM 756 CA SER A 69 4.192 -6.539 -1.214 1.00 0.00 C ATOM 757 C SER A 69 4.560 -5.066 -1.023 1.00 0.00 C ATOM 758 O SER A 69 4.335 -4.493 0.048 1.00 0.00 O ATOM 759 CB SER A 69 2.777 -6.674 -1.780 1.00 0.00 C ATOM 760 OG SER A 69 1.804 -6.934 -0.781 1.00 0.00 O ATOM 0 H SER A 69 3.469 -7.795 0.286 1.00 0.00 H new ATOM 0 HA SER A 69 4.892 -6.973 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.513 -5.757 -2.307 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.760 -7.479 -2.514 1.00 0.00 H new ATOM 0 HG SER A 69 1.168 -6.189 -0.742 1.00 0.00 H new ATOM 766 N TYR A 70 5.090 -4.444 -2.073 1.00 0.00 N ATOM 767 CA TYR A 70 5.557 -3.070 -2.030 1.00 0.00 C ATOM 768 C TYR A 70 5.001 -2.268 -3.196 1.00 0.00 C ATOM 769 O TYR A 70 4.628 -2.832 -4.229 1.00 0.00 O ATOM 770 CB TYR A 70 7.091 -3.016 -2.001 1.00 0.00 C ATOM 771 CG TYR A 70 7.789 -3.496 -3.264 1.00 0.00 C ATOM 772 CD1 TYR A 70 7.948 -2.652 -4.383 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.309 -4.799 -3.308 1.00 0.00 C ATOM 774 CE1 TYR A 70 8.631 -3.112 -5.524 1.00 0.00 C ATOM 775 CE2 TYR A 70 9.002 -5.254 -4.440 1.00 0.00 C ATOM 776 CZ TYR A 70 9.178 -4.409 -5.553 1.00 0.00 C ATOM 777 OH TYR A 70 9.906 -4.807 -6.629 1.00 0.00 O ATOM 0 H TYR A 70 5.206 -4.888 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 70 5.188 -2.616 -1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.397 -1.988 -1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.442 -3.617 -1.162 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.545 -1.650 -4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.174 -5.458 -2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.736 -2.466 -6.383 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.402 -6.257 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 70 10.214 -5.728 -6.493 1.00 0.00 H new ATOM 787 N LEU A 71 4.986 -0.946 -3.020 1.00 0.00 N ATOM 788 CA LEU A 71 4.613 0.064 -3.996 1.00 0.00 C ATOM 789 C LEU A 71 5.826 0.973 -4.183 1.00 0.00 C ATOM 790 O LEU A 71 6.346 1.469 -3.182 1.00 0.00 O ATOM 791 CB LEU A 71 3.433 0.904 -3.462 1.00 0.00 C ATOM 792 CG LEU A 71 2.129 0.183 -3.073 1.00 0.00 C ATOM 793 CD1 LEU A 71 1.753 -0.966 -4.017 1.00 0.00 C ATOM 794 CD2 LEU A 71 2.067 -0.219 -1.597 1.00 0.00 C ATOM 0 H LEU A 71 5.254 -0.530 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 71 4.313 -0.402 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.784 1.448 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.186 1.647 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 71 1.352 0.936 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.824 -1.425 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.620 -0.578 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.548 -1.712 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.121 -0.722 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.892 -0.894 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.144 0.672 -0.974 1.00 0.00 H new ATOM 806 N VAL A 72 6.269 1.214 -5.418 1.00 0.00 N ATOM 807 CA VAL A 72 7.328 2.178 -5.745 1.00 0.00 C ATOM 808 C VAL A 72 7.102 2.665 -7.185 1.00 0.00 C ATOM 809 O VAL A 72 6.384 2.010 -7.945 1.00 0.00 O ATOM 810 CB VAL A 72 8.718 1.539 -5.509 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.990 0.351 -6.434 1.00 0.00 C ATOM 812 CG2 VAL A 72 9.873 2.539 -5.643 1.00 0.00 C ATOM 0 H VAL A 72 5.896 0.736 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 72 7.293 3.051 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 72 8.678 1.187 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.979 -0.056 -6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.237 -0.420 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.948 0.681 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.819 2.028 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.872 2.963 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.750 3.338 -4.911 1.00 0.00 H new ATOM 822 N ALA A 73 7.662 3.818 -7.563 1.00 0.00 N ATOM 823 CA ALA A 73 7.565 4.320 -8.927 1.00 0.00 C ATOM 824 C ALA A 73 8.731 3.802 -9.770 1.00 0.00 C ATOM 825 O ALA A 73 9.815 3.496 -9.253 1.00 0.00 O ATOM 826 CB ALA A 73 7.565 5.854 -8.938 1.00 0.00 C ATOM 0 H ALA A 73 8.191 4.422 -6.934 1.00 0.00 H new ATOM 0 HA ALA A 73 6.628 3.962 -9.354 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.492 6.210 -9.965 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.714 6.222 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.489 6.221 -8.491 1.00 0.00 H new ATOM 832 N ALA A 74 8.555 3.865 -11.090 1.00 0.00 N ATOM 833 CA ALA A 74 9.600 3.581 -12.070 1.00 0.00 C ATOM 834 C ALA A 74 10.779 4.559 -12.008 1.00 0.00 C ATOM 835 O ALA A 74 11.751 4.390 -12.748 1.00 0.00 O ATOM 836 CB ALA A 74 9.008 3.634 -13.471 1.00 0.00 C ATOM 0 H ALA A 74 7.664 4.120 -11.515 1.00 0.00 H new ATOM 0 HA ALA A 74 9.984 2.589 -11.831 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.787 3.422 -14.203 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.215 2.891 -13.559 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.597 4.627 -13.655 1.00 0.00 H new ATOM 842 N ASP A 75 10.689 5.598 -11.184 1.00 0.00 N ATOM 843 CA ASP A 75 11.687 6.653 -11.105 1.00 0.00 C ATOM 844 C ASP A 75 11.919 7.084 -9.645 1.00 0.00 C ATOM 845 O ASP A 75 12.337 8.211 -9.382 1.00 0.00 O ATOM 846 CB ASP A 75 11.296 7.799 -12.052 1.00 0.00 C ATOM 847 CG ASP A 75 12.475 8.219 -12.923 1.00 0.00 C ATOM 848 OD1 ASP A 75 13.582 8.497 -12.404 1.00 0.00 O ATOM 849 OD2 ASP A 75 12.297 8.217 -14.165 1.00 0.00 O ATOM 0 H ASP A 75 9.907 5.731 -10.543 1.00 0.00 H new ATOM 0 HA ASP A 75 12.655 6.285 -11.445 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.466 7.484 -12.685 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.948 8.652 -11.470 1.00 0.00 H new ATOM 854 N ASP A 76 11.591 6.190 -8.696 1.00 0.00 N ATOM 855 CA ASP A 76 11.737 6.366 -7.243 1.00 0.00 C ATOM 856 C ASP A 76 12.531 5.174 -6.658 1.00 0.00 C ATOM 857 O ASP A 76 12.304 4.793 -5.508 1.00 0.00 O ATOM 858 CB ASP A 76 10.357 6.513 -6.533 1.00 0.00 C ATOM 859 CG ASP A 76 9.736 7.920 -6.515 1.00 0.00 C ATOM 860 OD1 ASP A 76 10.488 8.915 -6.406 1.00 0.00 O ATOM 861 OD2 ASP A 76 8.492 8.022 -6.482 1.00 0.00 O ATOM 0 H ASP A 76 11.197 5.280 -8.935 1.00 0.00 H new ATOM 0 HA ASP A 76 12.285 7.291 -7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.652 5.836 -7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.467 6.176 -5.502 1.00 0.00 H new ATOM 866 N GLN A 77 13.444 4.519 -7.400 1.00 0.00 N ATOM 867 CA GLN A 77 14.170 3.338 -6.889 1.00 0.00 C ATOM 868 C GLN A 77 15.078 3.626 -5.679 1.00 0.00 C ATOM 869 O GLN A 77 15.637 2.691 -5.097 1.00 0.00 O ATOM 870 CB GLN A 77 14.989 2.617 -7.974 1.00 0.00 C ATOM 871 CG GLN A 77 14.137 1.916 -9.043 1.00 0.00 C ATOM 872 CD GLN A 77 14.852 0.704 -9.657 1.00 0.00 C ATOM 873 OE1 GLN A 77 16.077 0.617 -9.664 1.00 0.00 O ATOM 874 NE2 GLN A 77 14.114 -0.294 -10.116 1.00 0.00 N ATOM 0 H GLN A 77 13.697 4.785 -8.352 1.00 0.00 H new ATOM 0 HA GLN A 77 13.369 2.680 -6.552 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.641 3.341 -8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.633 1.878 -7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.195 1.593 -8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.890 2.627 -9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.097 -0.221 -10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.563 -1.136 -10.476 1.00 0.00 H new ATOM 883 N ASP A 78 15.223 4.883 -5.269 1.00 0.00 N ATOM 884 CA ASP A 78 15.692 5.286 -3.945 1.00 0.00 C ATOM 885 C ASP A 78 14.960 6.541 -3.446 1.00 0.00 C ATOM 886 O ASP A 78 15.458 7.243 -2.564 1.00 0.00 O ATOM 887 CB ASP A 78 17.223 5.413 -3.902 1.00 0.00 C ATOM 888 CG ASP A 78 17.816 6.643 -4.585 1.00 0.00 C ATOM 889 OD1 ASP A 78 17.119 7.376 -5.324 1.00 0.00 O ATOM 890 OD2 ASP A 78 19.049 6.818 -4.443 1.00 0.00 O ATOM 0 H ASP A 78 15.010 5.678 -5.871 1.00 0.00 H new ATOM 0 HA ASP A 78 15.439 4.493 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.538 5.415 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.654 4.524 -4.363 1.00 0.00 H new ATOM 895 N GLY A 79 13.763 6.823 -3.973 1.00 0.00 N ATOM 896 CA GLY A 79 12.956 7.999 -3.668 1.00 0.00 C ATOM 897 C GLY A 79 12.105 7.776 -2.421 1.00 0.00 C ATOM 898 O GLY A 79 12.406 8.323 -1.351 1.00 0.00 O ATOM 0 H GLY A 79 13.315 6.208 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.606 8.861 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.311 8.230 -4.515 1.00 0.00 H new ATOM 902 N THR A 80 11.072 6.939 -2.536 1.00 0.00 N ATOM 903 CA THR A 80 10.165 6.535 -1.464 1.00 0.00 C ATOM 904 C THR A 80 9.769 5.071 -1.718 1.00 0.00 C ATOM 905 O THR A 80 9.915 4.590 -2.844 1.00 0.00 O ATOM 906 CB THR A 80 8.925 7.456 -1.477 1.00 0.00 C ATOM 907 OG1 THR A 80 9.274 8.831 -1.510 1.00 0.00 O ATOM 908 CG2 THR A 80 8.061 7.348 -0.221 1.00 0.00 C ATOM 0 H THR A 80 10.835 6.503 -3.427 1.00 0.00 H new ATOM 0 HA THR A 80 10.639 6.620 -0.486 1.00 0.00 H new ATOM 0 HB THR A 80 8.392 7.123 -2.367 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.459 9.375 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.210 8.024 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.702 6.325 -0.114 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.654 7.618 0.653 1.00 0.00 H new ATOM 916 N ILE A 81 9.274 4.347 -0.711 1.00 0.00 N ATOM 917 CA ILE A 81 8.636 3.044 -0.886 1.00 0.00 C ATOM 918 C ILE A 81 7.631 2.839 0.246 1.00 0.00 C ATOM 919 O ILE A 81 7.829 3.378 1.342 1.00 0.00 O ATOM 920 CB ILE A 81 9.719 1.932 -0.909 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.128 0.531 -1.170 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.549 1.883 0.391 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.138 -0.405 -1.846 1.00 0.00 C ATOM 0 H ILE A 81 9.307 4.655 0.261 1.00 0.00 H new ATOM 0 HA ILE A 81 8.102 2.998 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 81 10.373 2.201 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.804 0.093 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.243 0.623 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.291 1.087 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.054 2.838 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.889 1.689 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.678 -1.379 -2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.442 0.018 -2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.013 -0.520 -1.206 1.00 0.00 H new ATOM 935 N ILE A 82 6.602 2.010 0.043 1.00 0.00 N ATOM 936 CA ILE A 82 5.747 1.519 1.120 1.00 0.00 C ATOM 937 C ILE A 82 5.641 0.006 0.961 1.00 0.00 C ATOM 938 O ILE A 82 5.505 -0.503 -0.152 1.00 0.00 O ATOM 939 CB ILE A 82 4.353 2.198 1.120 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.415 3.741 1.117 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.510 1.745 2.339 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.163 4.362 0.490 1.00 0.00 C ATOM 0 H ILE A 82 6.340 1.661 -0.879 1.00 0.00 H new ATOM 0 HA ILE A 82 6.186 1.769 2.086 1.00 0.00 H new ATOM 0 HB ILE A 82 3.884 1.879 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.526 4.102 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.297 4.068 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.538 2.237 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.371 0.665 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.028 2.014 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.248 5.449 0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.066 4.023 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.283 4.057 1.056 1.00 0.00 H new ATOM 954 N PHE A 83 5.665 -0.703 2.087 1.00 0.00 N ATOM 955 CA PHE A 83 5.503 -2.151 2.202 1.00 0.00 C ATOM 956 C PHE A 83 4.209 -2.455 2.972 1.00 0.00 C ATOM 957 O PHE A 83 3.863 -1.722 3.905 1.00 0.00 O ATOM 958 CB PHE A 83 6.713 -2.719 2.962 1.00 0.00 C ATOM 959 CG PHE A 83 8.040 -2.650 2.230 1.00 0.00 C ATOM 960 CD1 PHE A 83 8.446 -3.704 1.390 1.00 0.00 C ATOM 961 CD2 PHE A 83 8.891 -1.542 2.419 1.00 0.00 C ATOM 962 CE1 PHE A 83 9.701 -3.656 0.757 1.00 0.00 C ATOM 963 CE2 PHE A 83 10.151 -1.506 1.798 1.00 0.00 C ATOM 964 CZ PHE A 83 10.558 -2.563 0.968 1.00 0.00 C ATOM 0 H PHE A 83 5.806 -0.258 2.994 1.00 0.00 H new ATOM 0 HA PHE A 83 5.443 -2.607 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.811 -2.182 3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.508 -3.761 3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.794 -4.550 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.574 -0.719 3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.007 -4.462 0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.808 -0.664 1.959 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.528 -2.536 0.493 1.00 0.00 H new ATOM 974 N PHE A 84 3.509 -3.550 2.657 1.00 0.00 N ATOM 975 CA PHE A 84 2.351 -4.017 3.423 1.00 0.00 C ATOM 976 C PHE A 84 2.197 -5.543 3.310 1.00 0.00 C ATOM 977 O PHE A 84 2.649 -6.149 2.340 1.00 0.00 O ATOM 978 CB PHE A 84 1.076 -3.292 2.940 1.00 0.00 C ATOM 979 CG PHE A 84 0.616 -3.686 1.544 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.107 -3.037 0.387 1.00 0.00 C ATOM 981 CD2 PHE A 84 -0.295 -4.752 1.406 1.00 0.00 C ATOM 982 CE1 PHE A 84 0.725 -3.493 -0.888 1.00 0.00 C ATOM 983 CE2 PHE A 84 -0.694 -5.180 0.132 1.00 0.00 C ATOM 984 CZ PHE A 84 -0.176 -4.563 -1.011 1.00 0.00 C ATOM 0 H PHE A 84 3.733 -4.141 1.856 1.00 0.00 H new ATOM 0 HA PHE A 84 2.508 -3.781 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.270 -3.494 3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.255 -2.217 2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.774 -2.193 0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.687 -5.241 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.125 -3.020 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.403 -5.988 0.033 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.470 -4.910 -1.991 1.00 0.00 H new ATOM 994 N LYS A 85 1.525 -6.159 4.288 1.00 0.00 N ATOM 995 CA LYS A 85 1.230 -7.597 4.386 1.00 0.00 C ATOM 996 C LYS A 85 -0.093 -7.815 5.102 1.00 0.00 C ATOM 997 O LYS A 85 -0.118 -7.927 6.329 1.00 0.00 O ATOM 998 CB LYS A 85 2.306 -8.377 5.172 1.00 0.00 C ATOM 999 CG LYS A 85 2.197 -9.913 5.061 1.00 0.00 C ATOM 1000 CD LYS A 85 1.954 -10.514 3.674 1.00 0.00 C ATOM 1001 CE LYS A 85 0.480 -10.567 3.242 1.00 0.00 C ATOM 1002 NZ LYS A 85 0.234 -11.454 2.083 1.00 0.00 N ATOM 0 H LYS A 85 1.149 -5.639 5.081 1.00 0.00 H new ATOM 0 HA LYS A 85 1.200 -7.966 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.290 -8.069 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.244 -8.097 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.117 -10.343 5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.387 -10.239 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.512 -9.934 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.360 -11.526 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.125 -10.906 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.146 -9.559 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.483 -11.025 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.118 -11.584 1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.107 -12.378 2.419 1.00 0.00 H new ATOM 1016 N ALA A 86 -1.194 -7.866 4.385 1.00 0.00 N ATOM 1017 CA ALA A 86 -2.433 -8.237 5.021 1.00 0.00 C ATOM 1018 C ALA A 86 -2.403 -9.732 5.335 1.00 0.00 C ATOM 1019 O ALA A 86 -2.526 -10.553 4.424 1.00 0.00 O ATOM 1020 CB ALA A 86 -3.604 -7.882 4.122 1.00 0.00 C ATOM 0 H ALA A 86 -1.256 -7.661 3.388 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.555 -7.688 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.536 -8.166 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.605 -6.809 3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.512 -8.417 3.177 1.00 0.00 H new ATOM 1026 N GLU A 87 -2.202 -10.080 6.601 1.00 0.00 N ATOM 1027 CA GLU A 87 -2.259 -11.423 7.123 1.00 0.00 C ATOM 1028 C GLU A 87 -3.509 -11.548 7.983 1.00 0.00 C ATOM 1029 O GLU A 87 -3.719 -10.732 8.883 1.00 0.00 O ATOM 1030 CB GLU A 87 -0.998 -11.674 7.960 1.00 0.00 C ATOM 1031 CG GLU A 87 -0.325 -12.970 7.531 1.00 0.00 C ATOM 1032 CD GLU A 87 -1.177 -14.194 7.874 1.00 0.00 C ATOM 1033 OE1 GLU A 87 -2.163 -14.468 7.169 1.00 0.00 O ATOM 1034 OE2 GLU A 87 -0.895 -14.893 8.880 1.00 0.00 O ATOM 0 H GLU A 87 -1.984 -9.391 7.321 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.302 -12.159 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.305 -10.841 7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.260 -11.725 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.140 -12.945 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.646 -13.054 8.020 1.00 0.00 H new ATOM 1041 N GLY A 88 -4.322 -12.575 7.731 1.00 0.00 N ATOM 1042 CA GLY A 88 -5.557 -12.856 8.444 1.00 0.00 C ATOM 1043 C GLY A 88 -6.527 -11.677 8.382 1.00 0.00 C ATOM 1044 O GLY A 88 -7.372 -11.629 7.484 1.00 0.00 O ATOM 0 H GLY A 88 -4.126 -13.255 6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.031 -13.740 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.332 -13.087 9.485 1.00 0.00 H new ATOM 1048 N GLN A 89 -6.418 -10.763 9.351 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.272 -9.613 9.610 1.00 0.00 C ATOM 1050 C GLN A 89 -6.455 -8.356 9.974 1.00 0.00 C ATOM 1051 O GLN A 89 -7.034 -7.400 10.490 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.281 -9.981 10.712 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.577 -10.628 10.219 1.00 0.00 C ATOM 1054 CD GLN A 89 -9.457 -12.061 9.707 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -8.794 -12.926 10.282 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -10.144 -12.342 8.615 1.00 0.00 N ATOM 0 H GLN A 89 -5.660 -10.820 10.032 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.814 -9.361 8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.797 -10.662 11.412 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.533 -9.078 11.268 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.300 -10.614 11.035 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.987 -10.011 9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.687 -11.613 8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.132 -13.288 8.234 1.00 0.00 H new ATOM 1065 N THR A 90 -5.152 -8.307 9.693 1.00 0.00 N ATOM 1066 CA THR A 90 -4.223 -7.255 10.105 1.00 0.00 C ATOM 1067 C THR A 90 -3.294 -6.886 8.943 1.00 0.00 C ATOM 1068 O THR A 90 -2.842 -7.761 8.213 1.00 0.00 O ATOM 1069 CB THR A 90 -3.416 -7.769 11.313 1.00 0.00 C ATOM 1070 OG1 THR A 90 -4.291 -8.128 12.368 1.00 0.00 O ATOM 1071 CG2 THR A 90 -2.463 -6.715 11.877 1.00 0.00 C ATOM 0 H THR A 90 -4.694 -9.036 9.145 1.00 0.00 H new ATOM 0 HA THR A 90 -4.771 -6.356 10.388 1.00 0.00 H new ATOM 0 HB THR A 90 -2.843 -8.621 10.948 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.768 -8.455 13.130 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.921 -7.132 12.726 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.754 -6.415 11.105 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.034 -5.845 12.203 1.00 0.00 H new ATOM 1079 N VAL A 91 -2.965 -5.601 8.795 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.037 -5.050 7.817 1.00 0.00 C ATOM 1081 C VAL A 91 -1.038 -4.182 8.586 1.00 0.00 C ATOM 1082 O VAL A 91 -1.340 -3.066 8.998 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.767 -4.261 6.705 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -1.817 -4.054 5.515 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -4.045 -4.953 6.205 1.00 0.00 C ATOM 0 H VAL A 91 -3.366 -4.878 9.392 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.514 -5.851 7.295 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.065 -3.309 7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.331 -3.498 4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.941 -3.494 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.504 -5.023 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.507 -4.346 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.793 -5.933 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.743 -5.072 7.034 1.00 0.00 H new ATOM 1095 N ILE A 92 0.136 -4.749 8.818 1.00 0.00 N ATOM 1096 CA ILE A 92 1.397 -4.156 9.260 1.00 0.00 C ATOM 1097 C ILE A 92 2.009 -3.341 8.100 1.00 0.00 C ATOM 1098 O ILE A 92 2.961 -3.735 7.425 1.00 0.00 O ATOM 1099 CB ILE A 92 2.368 -5.261 9.759 1.00 0.00 C ATOM 1100 CG1 ILE A 92 1.725 -6.293 10.721 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.523 -4.568 10.498 1.00 0.00 C ATOM 1102 CD1 ILE A 92 0.990 -7.463 10.048 1.00 0.00 C ATOM 0 H ILE A 92 0.244 -5.755 8.686 1.00 0.00 H new ATOM 0 HA ILE A 92 1.215 -3.482 10.097 1.00 0.00 H new ATOM 0 HB ILE A 92 2.692 -5.820 8.881 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.506 -6.700 11.363 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.021 -5.770 11.368 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.224 -5.319 10.862 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.037 -3.891 9.816 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.128 -4.002 11.341 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.579 -8.123 10.812 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.180 -7.076 9.429 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.688 -8.021 9.424 1.00 0.00 H new ATOM 1114 N ILE A 93 1.476 -2.153 7.872 1.00 0.00 N ATOM 1115 CA ILE A 93 2.012 -1.202 6.910 1.00 0.00 C ATOM 1116 C ILE A 93 3.389 -0.796 7.440 1.00 0.00 C ATOM 1117 O ILE A 93 3.544 -0.463 8.623 1.00 0.00 O ATOM 1118 CB ILE A 93 1.082 0.014 6.674 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.425 -0.336 6.749 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.436 0.598 5.291 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.359 0.858 6.585 1.00 0.00 C ATOM 0 H ILE A 93 0.645 -1.815 8.358 1.00 0.00 H new ATOM 0 HA ILE A 93 2.092 -1.660 5.924 1.00 0.00 H new ATOM 0 HB ILE A 93 1.246 0.739 7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.654 -1.069 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.628 -0.811 7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.801 1.460 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.481 0.908 5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.277 -0.160 4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.394 0.522 6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.163 1.585 7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.189 1.322 5.613 1.00 0.00 H new ATOM 1133 N LYS A 94 4.394 -0.868 6.572 1.00 0.00 N ATOM 1134 CA LYS A 94 5.782 -0.600 6.897 1.00 0.00 C ATOM 1135 C LYS A 94 6.318 0.406 5.887 1.00 0.00 C ATOM 1136 O LYS A 94 6.252 0.167 4.685 1.00 0.00 O ATOM 1137 CB LYS A 94 6.580 -1.914 6.892 1.00 0.00 C ATOM 1138 CG LYS A 94 6.396 -2.755 8.163 1.00 0.00 C ATOM 1139 CD LYS A 94 7.457 -3.858 8.249 1.00 0.00 C ATOM 1140 CE LYS A 94 7.381 -4.558 9.607 1.00 0.00 C ATOM 1141 NZ LYS A 94 8.447 -5.562 9.774 1.00 0.00 N ATOM 0 H LYS A 94 4.255 -1.123 5.594 1.00 0.00 H new ATOM 0 HA LYS A 94 5.878 -0.175 7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.280 -2.507 6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.639 -1.685 6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.462 -2.113 9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.401 -3.201 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.305 -4.583 7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.449 -3.430 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.455 -3.816 10.402 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.409 -5.041 9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.149 -6.272 10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.630 -6.029 8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.316 -5.095 10.104 1.00 0.00 H new ATOM 1155 N TYR A 95 6.799 1.562 6.332 1.00 0.00 N ATOM 1156 CA TYR A 95 7.102 2.689 5.447 1.00 0.00 C ATOM 1157 C TYR A 95 8.321 3.457 5.949 1.00 0.00 C ATOM 1158 O TYR A 95 8.804 3.187 7.053 1.00 0.00 O ATOM 1159 CB TYR A 95 5.866 3.587 5.356 1.00 0.00 C ATOM 1160 CG TYR A 95 5.370 4.096 6.690 1.00 0.00 C ATOM 1161 CD1 TYR A 95 5.882 5.283 7.248 1.00 0.00 C ATOM 1162 CD2 TYR A 95 4.419 3.336 7.384 1.00 0.00 C ATOM 1163 CE1 TYR A 95 5.448 5.715 8.515 1.00 0.00 C ATOM 1164 CE2 TYR A 95 4.002 3.751 8.659 1.00 0.00 C ATOM 1165 CZ TYR A 95 4.495 4.948 9.227 1.00 0.00 C ATOM 1166 OH TYR A 95 4.077 5.327 10.467 1.00 0.00 O ATOM 0 H TYR A 95 6.991 1.747 7.316 1.00 0.00 H new ATOM 0 HA TYR A 95 7.348 2.323 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.097 4.440 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.063 3.033 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.610 5.864 6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.010 2.439 6.942 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.840 6.627 8.942 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.296 3.149 9.212 1.00 0.00 H new ATOM 0 HH TYR A 95 3.421 4.681 10.802 1.00 0.00 H new ATOM 1176 N THR A 96 8.843 4.375 5.134 1.00 0.00 N ATOM 1177 CA THR A 96 10.107 5.059 5.403 1.00 0.00 C ATOM 1178 C THR A 96 10.184 6.401 4.660 1.00 0.00 C ATOM 1179 O THR A 96 9.321 6.742 3.855 1.00 0.00 O ATOM 1180 CB THR A 96 11.256 4.093 5.041 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.508 4.595 5.473 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.307 3.763 3.544 1.00 0.00 C ATOM 0 H THR A 96 8.397 4.666 4.264 1.00 0.00 H new ATOM 0 HA THR A 96 10.189 5.316 6.459 1.00 0.00 H new ATOM 0 HB THR A 96 11.046 3.164 5.571 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.200 4.349 4.824 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.134 3.080 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.371 3.293 3.243 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.452 4.681 2.974 1.00 0.00 H new ATOM 1190 N SER A 97 11.244 7.167 4.920 1.00 0.00 N ATOM 1191 CA SER A 97 11.660 8.308 4.112 1.00 0.00 C ATOM 1192 C SER A 97 12.914 8.002 3.287 1.00 0.00 C ATOM 1193 O SER A 97 13.288 8.803 2.433 1.00 0.00 O ATOM 1194 CB SER A 97 11.875 9.528 5.018 1.00 0.00 C ATOM 1195 OG SER A 97 12.593 9.179 6.199 1.00 0.00 O ATOM 0 H SER A 97 11.853 7.004 5.722 1.00 0.00 H new ATOM 0 HA SER A 97 10.866 8.528 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 97 12.422 10.297 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.910 9.956 5.290 1.00 0.00 H new ATOM 0 HG SER A 97 12.716 9.977 6.755 1.00 0.00 H new ATOM 1201 N GLN A 98 13.558 6.858 3.533 1.00 0.00 N ATOM 1202 CA GLN A 98 14.815 6.483 2.893 1.00 0.00 C ATOM 1203 C GLN A 98 14.891 4.983 2.628 1.00 0.00 C ATOM 1204 O GLN A 98 14.449 4.173 3.449 1.00 0.00 O ATOM 1205 CB GLN A 98 16.012 6.912 3.768 1.00 0.00 C ATOM 1206 CG GLN A 98 16.598 8.277 3.380 1.00 0.00 C ATOM 1207 CD GLN A 98 17.066 8.357 1.925 1.00 0.00 C ATOM 1208 OE1 GLN A 98 17.279 7.333 1.277 1.00 0.00 O ATOM 1209 NE2 GLN A 98 17.260 9.553 1.400 1.00 0.00 N ATOM 0 H GLN A 98 13.214 6.159 4.191 1.00 0.00 H new ATOM 0 HA GLN A 98 14.856 7.000 1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.696 6.945 4.811 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.794 6.156 3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.846 9.047 3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.440 8.500 4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.077 10.389 1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.593 9.641 0.440 1.00 0.00 H new ATOM 1218 N ARG A 99 15.572 4.610 1.539 1.00 0.00 N ATOM 1219 CA ARG A 99 15.883 3.218 1.186 1.00 0.00 C ATOM 1220 C ARG A 99 17.113 2.690 1.944 1.00 0.00 C ATOM 1221 O ARG A 99 17.644 1.631 1.590 1.00 0.00 O ATOM 1222 CB ARG A 99 16.007 3.054 -0.341 1.00 0.00 C ATOM 1223 CG ARG A 99 15.488 1.660 -0.765 1.00 0.00 C ATOM 1224 CD ARG A 99 15.178 1.615 -2.256 1.00 0.00 C ATOM 1225 NE ARG A 99 14.366 0.441 -2.644 1.00 0.00 N ATOM 1226 CZ ARG A 99 14.771 -0.682 -3.259 1.00 0.00 C ATOM 1227 NH1 ARG A 99 16.047 -0.940 -3.509 1.00 0.00 N ATOM 1228 NH2 ARG A 99 13.897 -1.596 -3.654 1.00 0.00 N ATOM 0 H ARG A 99 15.931 5.283 0.862 1.00 0.00 H new ATOM 0 HA ARG A 99 15.048 2.596 1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.437 3.833 -0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 99 17.047 3.172 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 99 16.234 0.903 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.590 1.416 -0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.649 2.525 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 99 16.113 1.603 -2.815 1.00 0.00 H new ATOM 0 HE ARG A 99 13.373 0.491 -2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 99 16.766 -0.272 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.310 -1.806 -3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.900 -1.452 -3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.221 -2.444 -4.120 1.00 0.00 H new ATOM 1242 N ASN A 100 17.592 3.432 2.954 1.00 0.00 N ATOM 1243 CA ASN A 100 18.803 3.136 3.726 1.00 0.00 C ATOM 1244 C ASN A 100 18.546 2.866 5.208 1.00 0.00 C ATOM 1245 O ASN A 100 19.487 2.670 5.976 1.00 0.00 O ATOM 1246 CB ASN A 100 19.881 4.220 3.529 1.00 0.00 C ATOM 1247 CG ASN A 100 20.921 3.727 2.544 1.00 0.00 C ATOM 1248 OD1 ASN A 100 21.783 2.922 2.888 1.00 0.00 O ATOM 1249 ND2 ASN A 100 20.797 4.108 1.293 1.00 0.00 N ATOM 0 H ASN A 100 17.128 4.285 3.265 1.00 0.00 H new ATOM 0 HA ASN A 100 19.182 2.198 3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 100 19.424 5.139 3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 100 20.352 4.457 4.483 1.00 0.00 H new ATOM 0 HD21 ASN A 100 21.425 3.734 0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 100 20.073 4.778 1.033 1.00 0.00 H new ATOM 1256 N THR A 101 17.284 2.849 5.623 1.00 0.00 N ATOM 1257 CA THR A 101 16.891 2.886 7.032 1.00 0.00 C ATOM 1258 C THR A 101 15.874 1.789 7.394 1.00 0.00 C ATOM 1259 O THR A 101 15.438 1.010 6.537 1.00 0.00 O ATOM 1260 CB THR A 101 16.403 4.311 7.371 1.00 0.00 C ATOM 1261 OG1 THR A 101 15.415 4.745 6.461 1.00 0.00 O ATOM 1262 CG2 THR A 101 17.534 5.341 7.358 1.00 0.00 C ATOM 0 H THR A 101 16.491 2.809 4.982 1.00 0.00 H new ATOM 0 HA THR A 101 17.757 2.660 7.654 1.00 0.00 H new ATOM 0 HB THR A 101 15.993 4.244 8.379 1.00 0.00 H new ATOM 0 HG1 THR A 101 14.569 4.291 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 101 17.133 6.325 7.603 1.00 0.00 H new ATOM 0 HG22 THR A 101 18.288 5.063 8.094 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.988 5.371 6.367 1.00 0.00 H new ATOM 1270 N LYS A 102 15.519 1.698 8.686 1.00 0.00 N ATOM 1271 CA LYS A 102 14.457 0.835 9.207 1.00 0.00 C ATOM 1272 C LYS A 102 13.101 1.416 8.808 1.00 0.00 C ATOM 1273 O LYS A 102 12.946 2.641 8.743 1.00 0.00 O ATOM 1274 CB LYS A 102 14.575 0.761 10.741 1.00 0.00 C ATOM 1275 CG LYS A 102 13.691 -0.276 11.462 1.00 0.00 C ATOM 1276 CD LYS A 102 14.250 -1.706 11.443 1.00 0.00 C ATOM 1277 CE LYS A 102 13.558 -2.626 10.427 1.00 0.00 C ATOM 1278 NZ LYS A 102 14.296 -3.902 10.314 1.00 0.00 N ATOM 0 H LYS A 102 15.980 2.241 9.416 1.00 0.00 H new ATOM 0 HA LYS A 102 14.550 -0.169 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.615 0.552 10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.342 1.745 11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.557 0.036 12.498 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.704 -0.278 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.316 -1.667 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.150 -2.139 12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.531 -2.817 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.511 -2.137 9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.750 -4.568 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.221 -3.730 9.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.437 -4.307 11.262 1.00 0.00 H new ATOM 1292 N LEU A 103 12.126 0.532 8.605 1.00 0.00 N ATOM 1293 CA LEU A 103 10.734 0.834 8.303 1.00 0.00 C ATOM 1294 C LEU A 103 9.976 1.036 9.615 1.00 0.00 C ATOM 1295 O LEU A 103 10.190 0.284 10.569 1.00 0.00 O ATOM 1296 CB LEU A 103 10.119 -0.366 7.550 1.00 0.00 C ATOM 1297 CG LEU A 103 10.831 -0.758 6.241 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.194 -2.000 5.616 1.00 0.00 C ATOM 1299 CD2 LEU A 103 10.818 0.386 5.233 1.00 0.00 C ATOM 0 H LEU A 103 12.300 -0.472 8.650 1.00 0.00 H new ATOM 0 HA LEU A 103 10.669 1.734 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.117 -1.229 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.078 -0.136 7.323 1.00 0.00 H new ATOM 0 HG LEU A 103 11.866 -0.983 6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.717 -2.252 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.264 -2.835 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.146 -1.799 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.329 0.074 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.787 0.652 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 103 11.329 1.251 5.657 1.00 0.00 H new ATOM 1311 N LYS A 104 9.039 1.988 9.658 1.00 0.00 N ATOM 1312 CA LYS A 104 8.065 2.134 10.734 1.00 0.00 C ATOM 1313 C LYS A 104 7.145 0.916 10.769 1.00 0.00 C ATOM 1314 O LYS A 104 7.100 0.159 9.801 1.00 0.00 O ATOM 1315 CB LYS A 104 7.217 3.385 10.469 1.00 0.00 C ATOM 1316 CG LYS A 104 7.813 4.701 10.976 1.00 0.00 C ATOM 1317 CD LYS A 104 9.073 5.116 10.225 1.00 0.00 C ATOM 1318 CE LYS A 104 9.445 6.576 10.495 1.00 0.00 C ATOM 1319 NZ LYS A 104 9.663 6.881 11.924 1.00 0.00 N ATOM 0 H LYS A 104 8.938 2.692 8.927 1.00 0.00 H new ATOM 0 HA LYS A 104 8.588 2.223 11.686 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.052 3.470 9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.240 3.246 10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.066 5.490 10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.045 4.603 12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.900 4.470 10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.922 4.972 9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.350 6.819 9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.653 7.220 10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.977 7.867 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.775 6.745 12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.391 6.245 12.307 1.00 0.00 H new ATOM 1333 N ALA A 105 6.352 0.788 11.832 1.00 0.00 N ATOM 1334 CA ALA A 105 5.420 -0.308 12.059 1.00 0.00 C ATOM 1335 C ALA A 105 4.039 0.257 12.406 1.00 0.00 C ATOM 1336 O ALA A 105 3.812 0.699 13.536 1.00 0.00 O ATOM 1337 CB ALA A 105 5.959 -1.203 13.181 1.00 0.00 C ATOM 0 H ALA A 105 6.343 1.474 12.587 1.00 0.00 H new ATOM 0 HA ALA A 105 5.319 -0.912 11.157 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.265 -2.025 13.355 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.931 -1.603 12.892 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.065 -0.618 14.094 1.00 0.00 H new ATOM 1343 N LYS A 106 3.101 0.231 11.457 1.00 0.00 N ATOM 1344 CA LYS A 106 1.725 0.704 11.620 1.00 0.00 C ATOM 1345 C LYS A 106 0.815 -0.473 11.301 1.00 0.00 C ATOM 1346 O LYS A 106 0.520 -0.719 10.135 1.00 0.00 O ATOM 1347 CB LYS A 106 1.517 1.897 10.675 1.00 0.00 C ATOM 1348 CG LYS A 106 0.097 2.473 10.536 1.00 0.00 C ATOM 1349 CD LYS A 106 -0.296 3.481 11.627 1.00 0.00 C ATOM 1350 CE LYS A 106 -1.304 4.478 11.039 1.00 0.00 C ATOM 1351 NZ LYS A 106 -1.567 5.652 11.891 1.00 0.00 N ATOM 0 H LYS A 106 3.285 -0.132 10.522 1.00 0.00 H new ATOM 0 HA LYS A 106 1.502 1.049 12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.173 2.703 11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.854 1.599 9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.010 2.958 9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.617 1.650 10.547 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.732 2.962 12.481 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.587 4.007 11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.935 4.821 10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.245 3.959 10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -2.257 6.274 11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.949 5.338 12.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.681 6.173 12.047 1.00 0.00 H new ATOM 1365 N ALA A 107 0.433 -1.249 12.311 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.573 -2.286 12.157 1.00 0.00 C ATOM 1367 C ALA A 107 -1.959 -1.646 12.248 1.00 0.00 C ATOM 1368 O ALA A 107 -2.280 -1.034 13.271 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.379 -3.363 13.228 1.00 0.00 C ATOM 0 H ALA A 107 0.813 -1.174 13.255 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.475 -2.768 11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.137 -4.137 13.107 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.612 -3.805 13.124 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.474 -2.914 14.217 1.00 0.00 H new ATOM 1375 N LEU A 108 -2.754 -1.783 11.188 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.181 -1.482 11.122 1.00 0.00 C ATOM 1377 C LEU A 108 -4.887 -2.786 10.777 1.00 0.00 C ATOM 1378 O LEU A 108 -4.366 -3.587 10.005 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.470 -0.466 9.999 1.00 0.00 C ATOM 1380 CG LEU A 108 -4.339 1.044 10.309 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -3.684 1.423 11.639 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -3.561 1.731 9.184 1.00 0.00 C ATOM 0 H LEU A 108 -2.395 -2.129 10.298 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.521 -1.062 12.069 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.800 -0.692 9.169 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.486 -0.644 9.646 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.372 1.383 10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.654 2.508 11.733 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.262 1.003 12.462 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.669 1.028 11.670 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.469 2.795 9.402 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.568 1.289 9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.092 1.599 8.241 1.00 0.00 H new ATOM 1394 N THR A 109 -6.085 -3.006 11.300 1.00 0.00 N ATOM 1395 CA THR A 109 -6.896 -4.156 10.932 1.00 0.00 C ATOM 1396 C THR A 109 -7.365 -4.061 9.472 1.00 0.00 C ATOM 1397 O THR A 109 -7.486 -2.967 8.906 1.00 0.00 O ATOM 1398 CB THR A 109 -8.061 -4.308 11.930 1.00 0.00 C ATOM 1399 OG1 THR A 109 -8.622 -3.068 12.329 1.00 0.00 O ATOM 1400 CG2 THR A 109 -7.584 -5.068 13.171 1.00 0.00 C ATOM 0 H THR A 109 -6.521 -2.394 11.990 1.00 0.00 H new ATOM 0 HA THR A 109 -6.292 -5.061 10.992 1.00 0.00 H new ATOM 0 HB THR A 109 -8.843 -4.863 11.412 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.355 -3.228 12.959 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.411 -5.173 13.873 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.229 -6.056 12.878 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.772 -4.517 13.646 1.00 0.00 H new ATOM 1408 N LEU A 110 -7.705 -5.210 8.870 1.00 0.00 N ATOM 1409 CA LEU A 110 -8.439 -5.255 7.610 1.00 0.00 C ATOM 1410 C LEU A 110 -9.700 -4.398 7.695 1.00 0.00 C ATOM 1411 O LEU A 110 -9.995 -3.649 6.760 1.00 0.00 O ATOM 1412 CB LEU A 110 -8.841 -6.702 7.272 1.00 0.00 C ATOM 1413 CG LEU A 110 -7.782 -7.538 6.541 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -8.395 -8.889 6.179 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -7.320 -6.917 5.221 1.00 0.00 C ATOM 0 H LEU A 110 -7.476 -6.130 9.247 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.787 -4.866 6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.102 -7.212 8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.742 -6.675 6.659 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.928 -7.609 7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.655 -9.497 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.710 -9.401 7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.258 -8.735 5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.572 -7.561 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.173 -6.812 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.886 -5.936 5.413 1.00 0.00 H new ATOM 1427 N SER A 111 -10.468 -4.519 8.780 1.00 0.00 N ATOM 1428 CA SER A 111 -11.688 -3.752 8.947 1.00 0.00 C ATOM 1429 C SER A 111 -11.390 -2.249 9.013 1.00 0.00 C ATOM 1430 O SER A 111 -12.113 -1.503 8.354 1.00 0.00 O ATOM 1431 CB SER A 111 -12.464 -4.239 10.172 1.00 0.00 C ATOM 1432 OG SER A 111 -13.855 -4.109 9.940 1.00 0.00 O ATOM 0 H SER A 111 -10.258 -5.147 9.556 1.00 0.00 H new ATOM 0 HA SER A 111 -12.321 -3.911 8.074 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.216 -5.280 10.381 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.177 -3.660 11.050 1.00 0.00 H new ATOM 0 HG SER A 111 -14.349 -4.424 10.726 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.324 -1.817 9.711 1.00 0.00 N ATOM 1439 CA GLN A 112 -9.886 -0.418 9.734 1.00 0.00 C ATOM 1440 C GLN A 112 -9.763 0.097 8.305 1.00 0.00 C ATOM 1441 O GLN A 112 -10.488 1.013 7.934 1.00 0.00 O ATOM 1442 CB GLN A 112 -8.549 -0.241 10.496 1.00 0.00 C ATOM 1443 CG GLN A 112 -8.690 0.459 11.856 1.00 0.00 C ATOM 1444 CD GLN A 112 -8.561 1.985 11.795 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -7.977 2.609 12.676 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -9.118 2.644 10.799 1.00 0.00 N ATOM 0 H GLN A 112 -9.742 -2.435 10.276 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.635 0.165 10.270 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.098 -1.221 10.649 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -7.862 0.332 9.874 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.660 0.205 12.284 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -7.930 0.068 12.533 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.606 2.136 10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.061 3.662 10.766 1.00 0.00 H new ATOM 1455 N LEU A 113 -8.872 -0.494 7.506 1.00 0.00 N ATOM 1456 CA LEU A 113 -8.583 -0.005 6.160 1.00 0.00 C ATOM 1457 C LEU A 113 -9.819 -0.036 5.264 1.00 0.00 C ATOM 1458 O LEU A 113 -10.013 0.873 4.460 1.00 0.00 O ATOM 1459 CB LEU A 113 -7.477 -0.857 5.523 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.068 -0.621 6.091 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -5.110 -1.567 5.365 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -5.610 0.827 5.901 1.00 0.00 C ATOM 0 H LEU A 113 -8.335 -1.319 7.773 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.257 1.031 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.732 -1.909 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -7.458 -0.659 4.451 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.078 -0.814 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.099 -1.424 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.419 -2.598 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.128 -1.354 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.610 0.950 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.593 1.067 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.300 1.497 6.413 1.00 0.00 H new ATOM 1474 N LYS A 114 -10.657 -1.070 5.387 1.00 0.00 N ATOM 1475 CA LYS A 114 -11.898 -1.144 4.628 1.00 0.00 C ATOM 1476 C LYS A 114 -12.814 0.012 5.022 1.00 0.00 C ATOM 1477 O LYS A 114 -13.473 0.563 4.155 1.00 0.00 O ATOM 1478 CB LYS A 114 -12.582 -2.482 4.870 1.00 0.00 C ATOM 1479 CG LYS A 114 -13.852 -2.608 4.013 1.00 0.00 C ATOM 1480 CD LYS A 114 -14.571 -3.929 4.289 1.00 0.00 C ATOM 1481 CE LYS A 114 -13.757 -5.183 3.920 1.00 0.00 C ATOM 1482 NZ LYS A 114 -13.089 -5.832 5.071 1.00 0.00 N ATOM 0 H LYS A 114 -10.494 -1.864 6.006 1.00 0.00 H new ATOM 0 HA LYS A 114 -11.674 -1.063 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.896 -3.295 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -12.838 -2.579 5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -14.522 -1.774 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.590 -2.546 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.828 -3.975 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.508 -3.942 3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.420 -5.906 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.002 -4.909 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.443 -6.571 4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.549 -5.121 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.805 -6.260 5.692 1.00 0.00 H new ATOM 1496 N LYS A 115 -12.945 0.337 6.310 1.00 0.00 N ATOM 1497 CA LYS A 115 -13.822 1.420 6.727 1.00 0.00 C ATOM 1498 C LYS A 115 -13.273 2.727 6.163 1.00 0.00 C ATOM 1499 O LYS A 115 -13.975 3.392 5.402 1.00 0.00 O ATOM 1500 CB LYS A 115 -13.977 1.445 8.258 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.435 1.682 8.687 1.00 0.00 C ATOM 1502 CD LYS A 115 -16.142 0.412 9.187 1.00 0.00 C ATOM 1503 CE LYS A 115 -16.246 -0.722 8.148 1.00 0.00 C ATOM 1504 NZ LYS A 115 -16.989 -1.873 8.701 1.00 0.00 N ATOM 0 H LYS A 115 -12.457 -0.133 7.073 1.00 0.00 H new ATOM 0 HA LYS A 115 -14.827 1.270 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.626 0.500 8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.345 2.230 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.455 2.434 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.992 2.090 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.610 0.037 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.147 0.678 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.748 -0.356 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.247 -1.039 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.047 -2.625 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.495 -2.233 9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.949 -1.572 8.966 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.013 3.034 6.483 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.349 4.289 6.150 1.00 0.00 C ATOM 1520 C GLU A 116 -11.470 4.620 4.668 1.00 0.00 C ATOM 1521 O GLU A 116 -11.694 5.776 4.311 1.00 0.00 O ATOM 1522 CB GLU A 116 -9.857 4.211 6.506 1.00 0.00 C ATOM 1523 CG GLU A 116 -9.532 4.156 7.999 1.00 0.00 C ATOM 1524 CD GLU A 116 -9.932 5.386 8.818 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -10.163 6.482 8.260 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -10.046 5.208 10.048 1.00 0.00 O ATOM 0 H GLU A 116 -11.411 2.392 6.998 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.841 5.071 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.434 3.327 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.354 5.077 6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.026 3.283 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.459 4.002 8.112 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.303 3.618 3.804 1.00 0.00 N ATOM 1534 CA PHE A 117 -11.083 3.832 2.382 1.00 0.00 C ATOM 1535 C PHE A 117 -11.986 2.949 1.520 1.00 0.00 C ATOM 1536 O PHE A 117 -11.673 2.688 0.359 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.595 3.632 2.077 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.649 4.460 2.925 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.675 5.861 2.831 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -7.783 3.841 3.846 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -7.860 6.644 3.666 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -6.979 4.625 4.692 1.00 0.00 C ATOM 1543 CZ PHE A 117 -7.016 6.027 4.603 1.00 0.00 C ATOM 0 H PHE A 117 -11.317 2.635 4.076 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.358 4.855 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.351 2.578 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.420 3.869 1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.325 6.339 2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.736 2.764 3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.883 7.721 3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.331 4.148 5.413 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.397 6.628 5.253 1.00 0.00 H new ATOM 1553 N TYR A 118 -13.095 2.439 2.071 1.00 0.00 N ATOM 1554 CA TYR A 118 -14.063 1.654 1.311 1.00 0.00 C ATOM 1555 C TYR A 118 -15.408 1.581 2.041 1.00 0.00 C ATOM 1556 O TYR A 118 -15.917 0.503 2.378 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.466 0.267 0.985 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.769 -0.271 -0.397 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.092 0.255 -1.515 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.627 -1.374 -0.554 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.155 -0.412 -2.750 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.745 -1.998 -1.805 1.00 0.00 C ATOM 1563 CZ TYR A 118 -13.958 -1.562 -2.890 1.00 0.00 C ATOM 1564 OH TYR A 118 -13.973 -2.259 -4.054 1.00 0.00 O ATOM 0 H TYR A 118 -13.342 2.561 3.053 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.270 2.147 0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.384 0.321 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.833 -0.448 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.525 1.170 -1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -15.195 -1.741 0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -12.588 -0.044 -3.592 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -15.440 -2.814 -1.937 1.00 0.00 H new ATOM 0 HH TYR A 118 -14.582 -3.022 -3.970 1.00 0.00 H new ATOM 1574 N GLN A 119 -16.029 2.744 2.250 1.00 0.00 N ATOM 1575 CA GLN A 119 -17.312 2.871 2.916 1.00 0.00 C ATOM 1576 C GLN A 119 -18.450 3.120 1.914 1.00 0.00 C ATOM 1577 O GLN A 119 -19.459 2.415 1.938 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.193 3.871 4.074 1.00 0.00 C ATOM 1579 CG GLN A 119 -17.247 5.375 3.818 1.00 0.00 C ATOM 1580 CD GLN A 119 -16.133 6.064 3.023 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -16.402 7.062 2.371 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -14.904 5.576 2.959 1.00 0.00 N ATOM 0 H GLN A 119 -15.639 3.638 1.952 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.599 1.927 3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -17.989 3.638 4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.249 3.666 4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.186 5.581 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.301 5.866 4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -14.657 4.744 3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -14.204 6.032 2.374 1.00 0.00 H new ATOM 1591 N THR A 120 -18.283 4.054 0.982 1.00 0.00 N ATOM 1592 CA THR A 120 -19.297 4.358 -0.026 1.00 0.00 C ATOM 1593 C THR A 120 -19.107 3.466 -1.247 1.00 0.00 C ATOM 1594 O THR A 120 -18.018 2.923 -1.471 1.00 0.00 O ATOM 1595 CB THR A 120 -19.204 5.831 -0.431 1.00 0.00 C ATOM 1596 OG1 THR A 120 -17.941 6.103 -0.995 1.00 0.00 O ATOM 1597 CG2 THR A 120 -19.415 6.758 0.761 1.00 0.00 C ATOM 0 H THR A 120 -17.440 4.623 0.903 1.00 0.00 H new ATOM 0 HA THR A 120 -20.284 4.168 0.396 1.00 0.00 H new ATOM 0 HB THR A 120 -19.992 6.014 -1.162 1.00 0.00 H new ATOM 0 HG1 THR A 120 -17.894 7.048 -1.252 1.00 0.00 H new ATOM 0 HG21 THR A 120 -19.342 7.795 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 120 -20.402 6.582 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.653 6.561 1.515 1.00 0.00 H new ATOM 1605 N ARG A 121 -20.140 3.340 -2.081 1.00 0.00 N ATOM 1606 CA ARG A 121 -20.055 2.531 -3.293 1.00 0.00 C ATOM 1607 C ARG A 121 -19.413 3.327 -4.426 1.00 0.00 C ATOM 1608 O ARG A 121 -18.684 2.760 -5.236 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.446 2.035 -3.694 1.00 0.00 C ATOM 1610 CG ARG A 121 -22.095 1.212 -2.568 1.00 0.00 C ATOM 1611 CD ARG A 121 -23.506 0.816 -2.976 1.00 0.00 C ATOM 1612 NE ARG A 121 -24.379 0.575 -1.822 1.00 0.00 N ATOM 1613 CZ ARG A 121 -25.714 0.619 -1.876 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -26.342 0.819 -3.031 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -26.414 0.477 -0.757 1.00 0.00 N ATOM 0 H ARG A 121 -21.045 3.789 -1.938 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.425 1.665 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.081 2.887 -3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.371 1.426 -4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.500 0.321 -2.365 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.121 1.794 -1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.936 1.604 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.464 -0.084 -3.590 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.942 0.361 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.805 0.941 -3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -27.361 0.850 -3.059 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -25.933 0.336 0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -27.433 0.509 -0.785 1.00 0.00 H new ATOM 1629 N SER A 122 -19.620 4.644 -4.462 1.00 0.00 N ATOM 1630 CA SER A 122 -19.035 5.505 -5.480 1.00 0.00 C ATOM 1631 C SER A 122 -17.500 5.454 -5.428 1.00 0.00 C ATOM 1632 O SER A 122 -16.886 5.419 -6.493 1.00 0.00 O ATOM 1633 CB SER A 122 -19.597 6.920 -5.299 1.00 0.00 C ATOM 1634 OG SER A 122 -19.812 7.555 -6.539 1.00 0.00 O ATOM 0 H SER A 122 -20.199 5.140 -3.784 1.00 0.00 H new ATOM 0 HA SER A 122 -19.305 5.156 -6.477 1.00 0.00 H new ATOM 0 HB2 SER A 122 -20.535 6.872 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.905 7.513 -4.701 1.00 0.00 H new ATOM 0 HG SER A 122 -20.172 8.454 -6.388 1.00 0.00 H new ATOM 1640 N GLN A 123 -16.870 5.367 -4.242 1.00 0.00 N ATOM 1641 CA GLN A 123 -15.404 5.307 -4.155 1.00 0.00 C ATOM 1642 C GLN A 123 -14.850 4.017 -4.769 1.00 0.00 C ATOM 1643 O GLN A 123 -13.723 4.012 -5.255 1.00 0.00 O ATOM 1644 CB GLN A 123 -14.920 5.485 -2.700 1.00 0.00 C ATOM 1645 CG GLN A 123 -14.648 4.221 -1.887 1.00 0.00 C ATOM 1646 CD GLN A 123 -14.395 4.690 -0.474 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -13.294 5.002 -0.046 1.00 0.00 O ATOM 1648 NE2 GLN A 123 -15.468 4.836 0.261 1.00 0.00 N ATOM 0 H GLN A 123 -17.349 5.337 -3.342 1.00 0.00 H new ATOM 0 HA GLN A 123 -15.013 6.139 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -14.004 6.075 -2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -15.667 6.073 -2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -15.498 3.539 -1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -13.787 3.680 -2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -16.380 4.571 -0.110 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -15.392 5.215 1.205 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.626 2.922 -4.740 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.152 1.590 -5.141 1.00 0.00 C ATOM 1659 C LYS A 124 -14.602 1.575 -6.560 1.00 0.00 C ATOM 1660 O LYS A 124 -13.687 0.809 -6.828 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.253 0.518 -5.059 1.00 0.00 C ATOM 1662 CG LYS A 124 -16.815 0.285 -3.653 1.00 0.00 C ATOM 1663 CD LYS A 124 -17.671 -0.992 -3.626 1.00 0.00 C ATOM 1664 CE LYS A 124 -18.144 -1.318 -2.204 1.00 0.00 C ATOM 1665 NZ LYS A 124 -18.730 -2.667 -2.106 1.00 0.00 N ATOM 0 H LYS A 124 -16.600 2.936 -4.438 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.359 1.356 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.071 0.805 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -15.854 -0.423 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -15.998 0.198 -2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.417 1.141 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.535 -0.867 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -17.093 -1.828 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -17.302 -1.239 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -18.882 -0.580 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -19.035 -2.843 -1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -19.550 -2.736 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -18.019 -3.375 -2.379 1.00 0.00 H new ATOM 1679 N ARG A 125 -15.190 2.381 -7.449 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.753 2.590 -8.819 1.00 0.00 C ATOM 1681 C ARG A 125 -13.282 3.016 -8.791 1.00 0.00 C ATOM 1682 O ARG A 125 -12.432 2.222 -9.142 1.00 0.00 O ATOM 1683 CB ARG A 125 -15.669 3.650 -9.457 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.568 3.262 -10.630 1.00 0.00 C ATOM 1685 CD ARG A 125 -17.112 1.832 -10.696 1.00 0.00 C ATOM 1686 NE ARG A 125 -18.161 1.787 -11.722 1.00 0.00 N ATOM 1687 CZ ARG A 125 -18.896 0.748 -12.113 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -18.632 -0.494 -11.716 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -19.953 0.969 -12.886 1.00 0.00 N ATOM 0 H ARG A 125 -16.020 2.927 -7.216 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.824 1.684 -9.421 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.312 4.043 -8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -15.035 4.472 -9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.421 3.941 -10.632 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.011 3.447 -11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.313 1.132 -10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.514 1.533 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 125 -18.352 2.668 -12.198 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -17.845 -0.674 -11.092 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.216 -1.267 -12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -20.188 1.920 -13.169 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -20.530 0.187 -13.197 1.00 0.00 H new ATOM 1703 N GLU A 126 -13.004 4.232 -8.336 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.650 4.776 -8.218 1.00 0.00 C ATOM 1705 C GLU A 126 -10.693 3.814 -7.543 1.00 0.00 C ATOM 1706 O GLU A 126 -9.661 3.489 -8.112 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.729 6.068 -7.406 1.00 0.00 C ATOM 1708 CG GLU A 126 -11.895 7.300 -8.284 1.00 0.00 C ATOM 1709 CD GLU A 126 -12.499 8.429 -7.459 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -13.717 8.343 -7.180 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -11.771 9.339 -7.017 1.00 0.00 O ATOM 0 H GLU A 126 -13.727 4.884 -8.031 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.264 4.956 -9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.566 6.006 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.825 6.172 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.930 7.606 -8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -12.538 7.071 -9.134 1.00 0.00 H new ATOM 1718 N VAL A 127 -11.008 3.398 -6.319 1.00 0.00 N ATOM 1719 CA VAL A 127 -10.115 2.568 -5.522 1.00 0.00 C ATOM 1720 C VAL A 127 -9.743 1.291 -6.282 1.00 0.00 C ATOM 1721 O VAL A 127 -8.591 0.875 -6.226 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.774 2.264 -4.165 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.922 1.329 -3.295 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -10.994 3.554 -3.348 1.00 0.00 C ATOM 0 H VAL A 127 -11.887 3.627 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 127 -9.185 3.105 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.723 1.785 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.432 1.147 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.773 0.383 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.955 1.793 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.461 3.306 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -10.034 4.038 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.642 4.231 -3.904 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.693 0.648 -6.960 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.437 -0.567 -7.722 1.00 0.00 C ATOM 1736 C ASP A 128 -9.764 -0.274 -9.061 1.00 0.00 C ATOM 1737 O ASP A 128 -8.982 -1.089 -9.548 1.00 0.00 O ATOM 1738 CB ASP A 128 -11.762 -1.295 -7.918 1.00 0.00 C ATOM 1739 CG ASP A 128 -11.601 -2.693 -8.515 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -10.549 -3.350 -8.326 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -12.585 -3.149 -9.136 1.00 0.00 O ATOM 0 H ASP A 128 -11.664 0.959 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.742 -1.198 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.271 -1.374 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.402 -0.701 -8.570 1.00 0.00 H new ATOM 1746 N ASP A 129 -9.996 0.898 -9.652 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.241 1.359 -10.817 1.00 0.00 C ATOM 1748 C ASP A 129 -7.769 1.421 -10.437 1.00 0.00 C ATOM 1749 O ASP A 129 -6.925 0.926 -11.175 1.00 0.00 O ATOM 1750 CB ASP A 129 -9.657 2.744 -11.326 1.00 0.00 C ATOM 1751 CG ASP A 129 -11.018 2.872 -11.991 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -11.749 1.876 -12.186 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -11.356 4.040 -12.314 1.00 0.00 O ATOM 0 H ASP A 129 -10.711 1.554 -9.337 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.444 0.651 -11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -9.630 3.434 -10.482 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -8.903 3.080 -12.037 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.443 1.965 -9.258 1.00 0.00 N ATOM 1759 CA TYR A 130 -6.067 2.078 -8.782 1.00 0.00 C ATOM 1760 C TYR A 130 -5.398 0.696 -8.693 1.00 0.00 C ATOM 1761 O TYR A 130 -4.185 0.592 -8.873 1.00 0.00 O ATOM 1762 CB TYR A 130 -6.002 2.793 -7.421 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.716 4.132 -7.243 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -7.088 4.943 -8.336 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -7.020 4.568 -5.936 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -7.776 6.152 -8.119 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.689 5.781 -5.709 1.00 0.00 C ATOM 1768 CZ TYR A 130 -8.076 6.577 -6.804 1.00 0.00 C ATOM 1769 OH TYR A 130 -8.678 7.785 -6.605 1.00 0.00 O ATOM 0 H TYR A 130 -8.133 2.340 -8.607 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.520 2.680 -9.508 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.400 2.108 -6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.950 2.949 -7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.844 4.635 -9.342 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -6.732 3.956 -5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -8.076 6.758 -8.961 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -7.906 6.102 -4.701 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.816 7.927 -5.645 1.00 0.00 H new ATOM 1779 N VAL A 131 -6.167 -0.377 -8.465 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.654 -1.749 -8.426 1.00 0.00 C ATOM 1781 C VAL A 131 -5.219 -2.234 -9.826 1.00 0.00 C ATOM 1782 O VAL A 131 -4.525 -3.247 -9.913 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.684 -2.713 -7.775 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -6.088 -4.108 -7.547 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -7.185 -2.259 -6.396 1.00 0.00 C ATOM 0 H VAL A 131 -7.172 -0.314 -8.301 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.762 -1.751 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.508 -2.721 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.838 -4.754 -7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.777 -4.532 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.224 -4.031 -6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.900 -2.986 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.342 -2.181 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.670 -1.287 -6.487 1.00 0.00 H new ATOM 1795 N ALA A 132 -5.588 -1.556 -10.916 1.00 0.00 N ATOM 1796 CA ALA A 132 -5.209 -1.903 -12.288 1.00 0.00 C ATOM 1797 C ALA A 132 -4.484 -0.757 -13.016 1.00 0.00 C ATOM 1798 O ALA A 132 -3.892 -0.975 -14.074 1.00 0.00 O ATOM 1799 CB ALA A 132 -6.466 -2.334 -13.047 1.00 0.00 C ATOM 0 H ALA A 132 -6.177 -0.725 -10.866 1.00 0.00 H new ATOM 0 HA ALA A 132 -4.494 -2.725 -12.250 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -6.201 -2.596 -14.071 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.910 -3.199 -12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.184 -1.514 -13.057 1.00 0.00 H new ATOM 1805 N GLY A 133 -4.499 0.457 -12.464 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.659 1.560 -12.909 1.00 0.00 C ATOM 1807 C GLY A 133 -2.244 1.436 -12.355 1.00 0.00 C ATOM 1808 O GLY A 133 -1.315 2.027 -12.902 1.00 0.00 O ATOM 0 H GLY A 133 -5.107 0.701 -11.682 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -3.625 1.578 -13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.096 2.506 -12.588 1.00 0.00 H new ATOM 1812 N LEU A 134 -2.051 0.681 -11.268 1.00 0.00 N ATOM 1813 CA LEU A 134 -0.730 0.200 -10.893 1.00 0.00 C ATOM 1814 C LEU A 134 -0.285 -0.828 -11.934 1.00 0.00 C ATOM 1815 O LEU A 134 -1.092 -1.625 -12.411 1.00 0.00 O ATOM 1816 CB LEU A 134 -0.721 -0.340 -9.448 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.603 -1.576 -9.146 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -0.988 -2.914 -9.582 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -1.875 -1.633 -7.635 1.00 0.00 C ATOM 0 H LEU A 134 -2.798 0.393 -10.636 1.00 0.00 H new ATOM 0 HA LEU A 134 -0.008 1.017 -10.891 1.00 0.00 H new ATOM 0 HB2 LEU A 134 0.308 -0.588 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.032 0.467 -8.785 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.516 -1.449 -9.727 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.671 -3.726 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.815 -2.902 -10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -0.041 -3.065 -9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.496 -2.500 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -0.930 -1.714 -7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.392 -0.725 -7.324 1.00 0.00 H new ATOM 1831 N ARG A 135 0.997 -0.801 -12.287 1.00 0.00 N ATOM 1832 CA ARG A 135 1.637 -1.836 -13.095 1.00 0.00 C ATOM 1833 C ARG A 135 2.168 -2.922 -12.164 1.00 0.00 C ATOM 1834 O ARG A 135 2.226 -2.725 -10.951 1.00 0.00 O ATOM 1835 CB ARG A 135 2.779 -1.196 -13.899 1.00 0.00 C ATOM 1836 CG ARG A 135 2.277 -0.265 -15.013 1.00 0.00 C ATOM 1837 CD ARG A 135 3.344 0.762 -15.423 1.00 0.00 C ATOM 1838 NE ARG A 135 3.799 0.610 -16.818 1.00 0.00 N ATOM 1839 CZ ARG A 135 4.477 1.530 -17.516 1.00 0.00 C ATOM 1840 NH1 ARG A 135 4.686 2.733 -17.006 1.00 0.00 N ATOM 1841 NH2 ARG A 135 4.930 1.262 -18.731 1.00 0.00 N ATOM 0 H ARG A 135 1.630 -0.049 -12.016 1.00 0.00 H new ATOM 0 HA ARG A 135 0.928 -2.285 -13.790 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.421 -0.632 -13.223 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.392 -1.983 -14.339 1.00 0.00 H new ATOM 0 HG2 ARG A 135 1.991 -0.859 -15.881 1.00 0.00 H new ATOM 0 HG3 ARG A 135 1.382 0.257 -14.675 1.00 0.00 H new ATOM 0 HD2 ARG A 135 2.942 1.766 -15.287 1.00 0.00 H new ATOM 0 HD3 ARG A 135 4.202 0.669 -14.757 1.00 0.00 H new ATOM 0 HE ARG A 135 3.579 -0.267 -17.289 1.00 0.00 H new ATOM 0 HH11 ARG A 135 4.330 2.962 -16.078 1.00 0.00 H new ATOM 0 HH12 ARG A 135 5.203 3.431 -17.541 1.00 0.00 H new ATOM 0 HH21 ARG A 135 4.764 0.345 -19.147 1.00 0.00 H new ATOM 0 HH22 ARG A 135 5.445 1.972 -19.251 1.00 0.00 H new ATOM 1855 N THR A 136 2.614 -4.053 -12.690 1.00 0.00 N ATOM 1856 CA THR A 136 3.299 -5.104 -11.927 1.00 0.00 C ATOM 1857 C THR A 136 4.596 -5.527 -12.648 1.00 0.00 C ATOM 1858 O THR A 136 5.270 -6.485 -12.272 1.00 0.00 O ATOM 1859 CB THR A 136 2.285 -6.223 -11.627 1.00 0.00 C ATOM 1860 OG1 THR A 136 1.068 -5.648 -11.160 1.00 0.00 O ATOM 1861 CG2 THR A 136 2.755 -7.292 -10.640 1.00 0.00 C ATOM 0 H THR A 136 2.511 -4.277 -13.680 1.00 0.00 H new ATOM 0 HA THR A 136 3.648 -4.754 -10.955 1.00 0.00 H new ATOM 0 HB THR A 136 2.149 -6.747 -12.573 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.422 -6.360 -10.970 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.966 -8.031 -10.500 1.00 0.00 H new ATOM 0 HG22 THR A 136 3.646 -7.783 -11.032 1.00 0.00 H new ATOM 0 HG23 THR A 136 2.989 -6.826 -9.683 1.00 0.00 H new ATOM 1869 N GLU A 137 4.973 -4.781 -13.680 1.00 0.00 N ATOM 1870 CA GLU A 137 6.208 -4.858 -14.442 1.00 0.00 C ATOM 1871 C GLU A 137 6.330 -3.499 -15.105 1.00 0.00 C ATOM 1872 O GLU A 137 5.353 -3.028 -15.698 1.00 0.00 O ATOM 1873 CB GLU A 137 6.104 -5.992 -15.483 1.00 0.00 C ATOM 1874 CG GLU A 137 7.382 -6.138 -16.336 1.00 0.00 C ATOM 1875 CD GLU A 137 7.172 -6.288 -17.847 1.00 0.00 C ATOM 1876 OE1 GLU A 137 6.072 -5.927 -18.390 1.00 0.00 O ATOM 1877 OE2 GLU A 137 8.096 -6.694 -18.552 1.00 0.00 O ATOM 0 H GLU A 137 4.366 -4.042 -14.034 1.00 0.00 H new ATOM 0 HA GLU A 137 7.081 -5.081 -13.829 1.00 0.00 H new ATOM 0 HB2 GLU A 137 5.905 -6.933 -14.970 1.00 0.00 H new ATOM 0 HB3 GLU A 137 5.255 -5.801 -16.139 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.012 -5.265 -16.162 1.00 0.00 H new ATOM 0 HG3 GLU A 137 7.935 -7.007 -15.979 1.00 0.00 H new TER 1884 GLU A 137