USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 706 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 62 SER OG : rot 161:sc= 0.155 USER MOD Set 1.2: A 71 SER OG : rot 119:sc= -0.441 USER MOD Set 2.1: A 54 ASN : amide:sc= -3.26 K(o=-3.3,f=-12!) USER MOD Set 2.2: A 57 GLN : amide:sc= 0 X(o=-3.3,f=-3.5) USER MOD Set 3.1: A 17 SER OG : rot -160:sc= -1.2 USER MOD Set 3.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 43 ASN : amide:sc= -3.34! C(o=-5.5!,f=-6.3!) USER MOD Set 4.2: A 58 THR OG1 : rot 110:sc= -2.13! USER MOD Set 5.1: A 7 THR OG1 : rot -129:sc= 0.484 USER MOD Set 5.2: A 93 ASN : amide:sc= 0.235 K(o=0.72,f=-7.5!) USER MOD Single : A 10 ASN : amide:sc= -6.89! C(o=-6.9!,f=-14!) USER MOD Single : A 11 THR OG1 : rot 39:sc= -0.942 USER MOD Single : A 12 GLN : amide:sc= -1.11 K(o=-1.1,f=-1.8!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.0082) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 70:sc= -1.02 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.3 K(o=-2.3,f=-9.6!) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -2.26 F(o=-3.3!,f=-2.3) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.4!) USER MOD Single : A 53 SER OG : rot 180:sc= -1.5 USER MOD Single : A 60 TYR OH : rot 157:sc= 1.43 USER MOD Single : A 61 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.7) USER MOD Single : A 65 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.1) USER MOD Single : A 67 SER OG : rot 100:sc= 0.543 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 82 THR OG1 : rot 48:sc= 0.954 USER MOD Single : A 83 SER OG : rot -99:sc= 0.00602 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -4.61! C(o=-6.6!,f=-4.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -164:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.225 -4.971 -5.016 1.00 0.00 N ATOM 59 CA PHE A 4 12.001 -6.019 -5.678 1.00 0.00 C ATOM 60 C PHE A 4 13.477 -5.972 -5.277 1.00 0.00 C ATOM 61 O PHE A 4 14.106 -7.012 -5.090 1.00 0.00 O ATOM 62 CB PHE A 4 11.851 -5.909 -7.202 1.00 0.00 C ATOM 63 CG PHE A 4 12.683 -4.829 -7.838 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.252 -3.512 -7.841 1.00 0.00 C ATOM 65 CD2 PHE A 4 13.892 -5.136 -8.440 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.013 -2.521 -8.433 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.657 -4.150 -9.032 1.00 0.00 C ATOM 68 CZ PHE A 4 14.218 -2.841 -9.029 1.00 0.00 C ATOM 0 HA PHE A 4 11.606 -6.981 -5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.118 -6.866 -7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.802 -5.728 -7.438 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.311 -3.257 -7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.241 -6.158 -8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.666 -1.498 -8.430 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.598 -4.403 -9.497 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.815 -2.069 -9.491 1.00 0.00 H new ATOM 78 N ILE A 5 14.030 -4.768 -5.148 1.00 0.00 N ATOM 79 CA ILE A 5 15.435 -4.617 -4.776 1.00 0.00 C ATOM 80 C ILE A 5 15.707 -5.173 -3.381 1.00 0.00 C ATOM 81 O ILE A 5 16.852 -5.456 -3.029 1.00 0.00 O ATOM 82 CB ILE A 5 15.881 -3.138 -4.836 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.407 -3.041 -4.799 1.00 0.00 C ATOM 84 CG2 ILE A 5 15.264 -2.332 -3.697 1.00 0.00 C ATOM 85 CD1 ILE A 5 18.066 -3.443 -6.100 1.00 0.00 C ATOM 0 H ILE A 5 13.532 -3.890 -5.294 1.00 0.00 H new ATOM 0 HA ILE A 5 16.013 -5.189 -5.502 1.00 0.00 H new ATOM 0 HB ILE A 5 15.527 -2.714 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.693 -2.017 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.785 -3.676 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.595 -1.296 -3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.177 -2.371 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.579 -2.752 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.148 -3.351 -6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.809 -4.476 -6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.716 -2.792 -6.901 1.00 0.00 H new ATOM 97 N GLU A 6 14.649 -5.344 -2.596 1.00 0.00 N ATOM 98 CA GLU A 6 14.784 -5.881 -1.247 1.00 0.00 C ATOM 99 C GLU A 6 15.046 -7.387 -1.281 1.00 0.00 C ATOM 100 O GLU A 6 15.618 -7.947 -0.346 1.00 0.00 O ATOM 101 CB GLU A 6 13.523 -5.588 -0.433 1.00 0.00 C ATOM 102 CG GLU A 6 13.575 -4.264 0.312 1.00 0.00 C ATOM 103 CD GLU A 6 12.302 -3.978 1.084 1.00 0.00 C ATOM 104 OE1 GLU A 6 12.056 -4.661 2.100 1.00 0.00 O ATOM 105 OE2 GLU A 6 11.550 -3.069 0.671 1.00 0.00 O ATOM 0 H GLU A 6 13.692 -5.120 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 6 15.637 -5.395 -0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.662 -5.586 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.368 -6.394 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.419 -4.272 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.753 -3.458 -0.400 1.00 0.00 H new ATOM 112 N THR A 7 14.628 -8.037 -2.365 1.00 0.00 N ATOM 113 CA THR A 7 14.828 -9.474 -2.518 1.00 0.00 C ATOM 114 C THR A 7 15.696 -9.797 -3.738 1.00 0.00 C ATOM 115 O THR A 7 15.744 -10.942 -4.188 1.00 0.00 O ATOM 116 CB THR A 7 13.477 -10.184 -2.625 1.00 0.00 C ATOM 117 OG1 THR A 7 12.860 -9.908 -3.870 1.00 0.00 O ATOM 118 CG2 THR A 7 12.510 -9.784 -1.531 1.00 0.00 C ATOM 0 H THR A 7 14.150 -7.592 -3.148 1.00 0.00 H new ATOM 0 HA THR A 7 15.354 -9.834 -1.634 1.00 0.00 H new ATOM 0 HB THR A 7 13.697 -11.247 -2.526 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.940 -9.605 -3.719 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.571 -10.321 -1.661 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.937 -10.031 -0.559 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.325 -8.711 -1.584 1.00 0.00 H new ATOM 126 N CYS A 8 16.379 -8.787 -4.273 1.00 0.00 N ATOM 127 CA CYS A 8 17.230 -8.983 -5.441 1.00 0.00 C ATOM 128 C CYS A 8 18.609 -8.365 -5.232 1.00 0.00 C ATOM 129 O CYS A 8 18.774 -7.423 -4.458 1.00 0.00 O ATOM 130 CB CYS A 8 16.580 -8.383 -6.690 1.00 0.00 C ATOM 131 SG CYS A 8 14.887 -8.977 -7.011 1.00 0.00 S ATOM 0 H CYS A 8 16.359 -7.831 -3.918 1.00 0.00 H new ATOM 0 HA CYS A 8 17.350 -10.057 -5.581 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.559 -7.298 -6.589 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.203 -8.611 -7.555 1.00 0.00 H new ATOM 136 N ARG A 9 19.593 -8.910 -5.936 1.00 0.00 N ATOM 137 CA ARG A 9 20.966 -8.432 -5.844 1.00 0.00 C ATOM 138 C ARG A 9 21.566 -8.248 -7.233 1.00 0.00 C ATOM 139 O ARG A 9 20.946 -8.604 -8.235 1.00 0.00 O ATOM 140 CB ARG A 9 21.814 -9.410 -5.032 1.00 0.00 C ATOM 141 CG ARG A 9 21.653 -10.854 -5.471 1.00 0.00 C ATOM 142 CD ARG A 9 22.798 -11.720 -4.977 1.00 0.00 C ATOM 143 NE ARG A 9 23.090 -12.811 -5.902 1.00 0.00 N ATOM 144 CZ ARG A 9 24.024 -13.733 -5.690 1.00 0.00 C ATOM 145 NH1 ARG A 9 24.748 -13.712 -4.578 1.00 0.00 N ATOM 146 NH2 ARG A 9 24.234 -14.682 -6.591 1.00 0.00 N ATOM 0 H ARG A 9 19.464 -9.689 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 9 20.959 -7.466 -5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.863 -9.127 -5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.545 -9.326 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.709 -11.247 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.604 -10.901 -6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.689 -11.105 -4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 9 22.548 -12.130 -3.999 1.00 0.00 H new ATOM 0 HE ARG A 9 22.545 -12.869 -6.762 1.00 0.00 H new ATOM 0 HH11 ARG A 9 24.589 -12.986 -3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 9 25.463 -14.422 -4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.679 -14.705 -7.447 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.950 -15.390 -6.429 1.00 0.00 H new ATOM 160 N ASN A 10 22.769 -7.682 -7.288 1.00 0.00 N ATOM 161 CA ASN A 10 23.462 -7.445 -8.554 1.00 0.00 C ATOM 162 C ASN A 10 22.560 -6.761 -9.582 1.00 0.00 C ATOM 163 O ASN A 10 22.376 -7.263 -10.691 1.00 0.00 O ATOM 164 CB ASN A 10 24.025 -8.759 -9.120 1.00 0.00 C ATOM 165 CG ASN A 10 22.951 -9.727 -9.581 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.363 -10.448 -8.775 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.701 -9.761 -10.886 1.00 0.00 N ATOM 0 H ASN A 10 23.288 -7.377 -6.465 1.00 0.00 H new ATOM 0 HA ASN A 10 24.291 -6.768 -8.346 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.683 -8.532 -9.959 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.636 -9.242 -8.357 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.998 -10.402 -11.254 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.212 -9.146 -11.519 1.00 0.00 H new ATOM 174 N THR A 11 22.019 -5.600 -9.216 1.00 0.00 N ATOM 175 CA THR A 11 21.167 -4.843 -10.126 1.00 0.00 C ATOM 176 C THR A 11 22.032 -4.081 -11.123 1.00 0.00 C ATOM 177 O THR A 11 23.022 -3.454 -10.747 1.00 0.00 O ATOM 178 CB THR A 11 20.259 -3.878 -9.358 1.00 0.00 C ATOM 179 OG1 THR A 11 20.957 -3.276 -8.284 1.00 0.00 O ATOM 180 CG2 THR A 11 19.021 -4.541 -8.791 1.00 0.00 C ATOM 0 H THR A 11 22.155 -5.167 -8.302 1.00 0.00 H new ATOM 0 HA THR A 11 20.528 -5.542 -10.665 1.00 0.00 H new ATOM 0 HB THR A 11 19.948 -3.133 -10.090 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.875 -3.074 -8.563 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.423 -3.801 -8.260 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.433 -4.968 -9.603 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.315 -5.332 -8.102 1.00 0.00 H new ATOM 188 N GLN A 12 21.663 -4.153 -12.394 1.00 0.00 N ATOM 189 CA GLN A 12 22.422 -3.487 -13.447 1.00 0.00 C ATOM 190 C GLN A 12 21.576 -3.246 -14.689 1.00 0.00 C ATOM 191 O GLN A 12 20.509 -3.837 -14.852 1.00 0.00 O ATOM 192 CB GLN A 12 23.668 -4.296 -13.800 1.00 0.00 C ATOM 193 CG GLN A 12 23.383 -5.762 -14.073 1.00 0.00 C ATOM 194 CD GLN A 12 23.659 -6.147 -15.512 1.00 0.00 C ATOM 195 OE1 GLN A 12 24.504 -5.547 -16.176 1.00 0.00 O ATOM 196 NE2 GLN A 12 22.945 -7.152 -16.003 1.00 0.00 N ATOM 0 H GLN A 12 20.844 -4.665 -12.722 1.00 0.00 H new ATOM 0 HA GLN A 12 22.728 -2.513 -13.064 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.140 -3.856 -14.679 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.384 -4.220 -12.982 1.00 0.00 H new ATOM 0 HG2 GLN A 12 23.994 -6.377 -13.412 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.341 -5.977 -13.836 1.00 0.00 H new ATOM 0 HE21 GLN A 12 22.255 -7.621 -15.417 1.00 0.00 H new ATOM 0 HE22 GLN A 12 23.086 -7.455 -16.967 1.00 0.00 H new ATOM 205 N LEU A 13 22.064 -2.372 -15.563 1.00 0.00 N ATOM 206 CA LEU A 13 21.353 -2.048 -16.791 1.00 0.00 C ATOM 207 C LEU A 13 21.894 -2.851 -17.961 1.00 0.00 C ATOM 208 O LEU A 13 23.106 -2.983 -18.139 1.00 0.00 O ATOM 209 CB LEU A 13 21.487 -0.560 -17.117 1.00 0.00 C ATOM 210 CG LEU A 13 20.723 -0.111 -18.367 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.561 0.787 -17.984 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.647 0.599 -19.350 1.00 0.00 C ATOM 0 H LEU A 13 22.948 -1.877 -15.443 1.00 0.00 H new ATOM 0 HA LEU A 13 20.304 -2.298 -16.634 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.134 0.019 -16.264 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.543 -0.324 -17.248 1.00 0.00 H new ATOM 0 HG LEU A 13 20.329 -1.000 -18.859 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.029 1.097 -18.883 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.881 0.242 -17.329 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.938 1.668 -17.464 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.078 0.906 -20.227 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.080 1.478 -18.872 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.445 -0.079 -19.654 1.00 0.00 H new ATOM 224 N ALA A 14 20.979 -3.369 -18.768 1.00 0.00 N ATOM 225 CA ALA A 14 21.327 -4.143 -19.942 1.00 0.00 C ATOM 226 C ALA A 14 20.771 -3.448 -21.176 1.00 0.00 C ATOM 227 O ALA A 14 19.703 -2.841 -21.115 1.00 0.00 O ATOM 228 CB ALA A 14 20.771 -5.555 -19.825 1.00 0.00 C ATOM 0 H ALA A 14 19.975 -3.262 -18.624 1.00 0.00 H new ATOM 0 HA ALA A 14 22.411 -4.214 -20.027 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.039 -6.126 -20.714 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.189 -6.039 -18.942 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.686 -5.512 -19.735 1.00 0.00 H new ATOM 234 N GLY A 15 21.493 -3.510 -22.285 1.00 0.00 N ATOM 235 CA GLY A 15 21.025 -2.850 -23.489 1.00 0.00 C ATOM 236 C GLY A 15 20.817 -1.362 -23.273 1.00 0.00 C ATOM 237 O GLY A 15 21.496 -0.751 -22.446 1.00 0.00 O ATOM 0 H GLY A 15 22.384 -3.999 -22.375 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.747 -3.003 -24.291 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.088 -3.305 -23.812 1.00 0.00 H new ATOM 241 N SER A 16 19.904 -0.766 -24.033 1.00 0.00 N ATOM 242 CA SER A 16 19.652 0.668 -23.930 1.00 0.00 C ATOM 243 C SER A 16 18.650 1.013 -22.834 1.00 0.00 C ATOM 244 O SER A 16 18.786 2.045 -22.176 1.00 0.00 O ATOM 245 CB SER A 16 19.121 1.198 -25.260 1.00 0.00 C ATOM 246 OG SER A 16 19.792 0.599 -26.355 1.00 0.00 O ATOM 0 H SER A 16 19.329 -1.250 -24.723 1.00 0.00 H new ATOM 0 HA SER A 16 20.603 1.135 -23.676 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.052 1.000 -25.333 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.248 2.280 -25.300 1.00 0.00 H new ATOM 0 HG SER A 16 19.431 0.955 -27.194 1.00 0.00 H new ATOM 252 N SER A 17 17.634 0.177 -22.641 1.00 0.00 N ATOM 253 CA SER A 17 16.631 0.462 -21.628 1.00 0.00 C ATOM 254 C SER A 17 16.152 -0.798 -20.908 1.00 0.00 C ATOM 255 O SER A 17 14.979 -0.903 -20.551 1.00 0.00 O ATOM 256 CB SER A 17 15.452 1.188 -22.275 1.00 0.00 C ATOM 257 OG SER A 17 15.159 0.648 -23.552 1.00 0.00 O ATOM 0 H SER A 17 17.487 -0.687 -23.163 1.00 0.00 H new ATOM 0 HA SER A 17 17.091 1.098 -20.872 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.575 1.108 -21.633 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.682 2.249 -22.370 1.00 0.00 H new ATOM 0 HG SER A 17 14.641 1.298 -24.071 1.00 0.00 H new ATOM 263 N GLU A 18 17.058 -1.745 -20.687 1.00 0.00 N ATOM 264 CA GLU A 18 16.710 -2.981 -19.989 1.00 0.00 C ATOM 265 C GLU A 18 17.429 -3.094 -18.654 1.00 0.00 C ATOM 266 O GLU A 18 18.557 -2.631 -18.497 1.00 0.00 O ATOM 267 CB GLU A 18 17.022 -4.213 -20.839 1.00 0.00 C ATOM 268 CG GLU A 18 15.954 -4.533 -21.864 1.00 0.00 C ATOM 269 CD GLU A 18 16.371 -4.183 -23.279 1.00 0.00 C ATOM 270 OE1 GLU A 18 17.427 -4.676 -23.725 1.00 0.00 O ATOM 271 OE2 GLU A 18 15.640 -3.416 -23.941 1.00 0.00 O ATOM 0 H GLU A 18 18.033 -1.683 -20.978 1.00 0.00 H new ATOM 0 HA GLU A 18 15.636 -2.941 -19.806 1.00 0.00 H new ATOM 0 HB2 GLU A 18 17.971 -4.058 -21.353 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.152 -5.073 -20.182 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.715 -5.595 -21.813 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.043 -3.989 -21.614 1.00 0.00 H new ATOM 278 N LEU A 19 16.761 -3.725 -17.698 1.00 0.00 N ATOM 279 CA LEU A 19 17.318 -3.929 -16.369 1.00 0.00 C ATOM 280 C LEU A 19 17.380 -5.422 -16.070 1.00 0.00 C ATOM 281 O LEU A 19 16.363 -6.116 -16.129 1.00 0.00 O ATOM 282 CB LEU A 19 16.461 -3.204 -15.325 1.00 0.00 C ATOM 283 CG LEU A 19 16.675 -3.637 -13.873 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.114 -3.389 -13.446 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.709 -2.902 -12.955 1.00 0.00 C ATOM 0 H LEU A 19 15.823 -4.108 -17.821 1.00 0.00 H new ATOM 0 HA LEU A 19 18.327 -3.519 -16.329 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.659 -2.135 -15.399 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.411 -3.352 -15.578 1.00 0.00 H new ATOM 0 HG LEU A 19 16.478 -4.706 -13.798 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.246 -3.703 -12.411 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.787 -3.959 -14.087 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.342 -2.327 -13.534 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.872 -3.220 -11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.878 -1.828 -13.034 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.684 -3.131 -13.247 1.00 0.00 H new ATOM 297 N ALA A 20 18.563 -5.925 -15.741 1.00 0.00 N ATOM 298 CA ALA A 20 18.720 -7.334 -15.433 1.00 0.00 C ATOM 299 C ALA A 20 19.278 -7.504 -14.020 1.00 0.00 C ATOM 300 O ALA A 20 20.103 -6.711 -13.565 1.00 0.00 O ATOM 301 CB ALA A 20 19.606 -7.997 -16.478 1.00 0.00 C ATOM 0 H ALA A 20 19.422 -5.378 -15.682 1.00 0.00 H new ATOM 0 HA ALA A 20 17.748 -7.826 -15.462 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.720 -9.055 -16.241 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.148 -7.893 -17.462 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.585 -7.519 -16.481 1.00 0.00 H new ATOM 307 N ALA A 21 18.804 -8.532 -13.328 1.00 0.00 N ATOM 308 CA ALA A 21 19.225 -8.804 -11.957 1.00 0.00 C ATOM 309 C ALA A 21 18.903 -10.241 -11.563 1.00 0.00 C ATOM 310 O ALA A 21 18.193 -10.943 -12.283 1.00 0.00 O ATOM 311 CB ALA A 21 18.562 -7.834 -10.993 1.00 0.00 C ATOM 0 H ALA A 21 18.123 -9.196 -13.696 1.00 0.00 H new ATOM 0 HA ALA A 21 20.305 -8.668 -11.903 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.888 -8.052 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.843 -6.813 -11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.479 -7.940 -11.058 1.00 0.00 H new ATOM 317 N GLU A 22 19.372 -10.658 -10.392 1.00 0.00 N ATOM 318 CA GLU A 22 19.067 -11.988 -9.887 1.00 0.00 C ATOM 319 C GLU A 22 18.162 -11.840 -8.669 1.00 0.00 C ATOM 320 O GLU A 22 18.421 -11.007 -7.799 1.00 0.00 O ATOM 321 CB GLU A 22 20.341 -12.751 -9.512 1.00 0.00 C ATOM 322 CG GLU A 22 21.199 -13.143 -10.705 1.00 0.00 C ATOM 323 CD GLU A 22 22.553 -13.691 -10.293 1.00 0.00 C ATOM 324 OE1 GLU A 22 22.868 -13.652 -9.084 1.00 0.00 O ATOM 325 OE2 GLU A 22 23.298 -14.161 -11.178 1.00 0.00 O ATOM 0 H GLU A 22 19.962 -10.096 -9.778 1.00 0.00 H new ATOM 0 HA GLU A 22 18.566 -12.562 -10.666 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.935 -12.136 -8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.065 -13.652 -8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.672 -13.892 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.343 -12.273 -11.346 1.00 0.00 H new ATOM 332 N CYS A 23 17.094 -12.625 -8.602 1.00 0.00 N ATOM 333 CA CYS A 23 16.170 -12.527 -7.481 1.00 0.00 C ATOM 334 C CYS A 23 15.871 -13.893 -6.878 1.00 0.00 C ATOM 335 O CYS A 23 15.620 -14.861 -7.593 1.00 0.00 O ATOM 336 CB CYS A 23 14.870 -11.862 -7.930 1.00 0.00 C ATOM 337 SG CYS A 23 15.094 -10.192 -8.623 1.00 0.00 S ATOM 0 H CYS A 23 16.849 -13.327 -9.300 1.00 0.00 H new ATOM 0 HA CYS A 23 16.645 -11.918 -6.712 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.390 -12.493 -8.678 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.191 -11.803 -7.079 1.00 0.00 H new ATOM 342 N LYS A 24 15.920 -13.962 -5.555 1.00 0.00 N ATOM 343 CA LYS A 24 15.666 -15.210 -4.852 1.00 0.00 C ATOM 344 C LYS A 24 14.214 -15.655 -4.999 1.00 0.00 C ATOM 345 O LYS A 24 13.288 -14.850 -4.903 1.00 0.00 O ATOM 346 CB LYS A 24 16.027 -15.074 -3.371 1.00 0.00 C ATOM 347 CG LYS A 24 15.182 -14.054 -2.625 1.00 0.00 C ATOM 348 CD LYS A 24 15.126 -14.362 -1.138 1.00 0.00 C ATOM 349 CE LYS A 24 16.260 -13.683 -0.388 1.00 0.00 C ATOM 350 NZ LYS A 24 16.531 -14.335 0.923 1.00 0.00 N ATOM 0 H LYS A 24 16.133 -13.170 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 24 16.297 -15.974 -5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.917 -16.045 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 24 17.077 -14.794 -3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.595 -13.057 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.172 -14.046 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.170 -14.031 -0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.181 -15.440 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.163 -13.706 -0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.011 -12.634 -0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.311 -13.841 1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.678 -14.291 1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.794 -15.329 0.768 1.00 0.00 H new ATOM 364 N THR A 25 14.036 -16.952 -5.228 1.00 0.00 N ATOM 365 CA THR A 25 12.708 -17.533 -5.387 1.00 0.00 C ATOM 366 C THR A 25 12.115 -17.885 -4.026 1.00 0.00 C ATOM 367 O THR A 25 12.739 -17.647 -2.991 1.00 0.00 O ATOM 368 CB THR A 25 12.778 -18.777 -6.275 1.00 0.00 C ATOM 369 OG1 THR A 25 13.560 -19.788 -5.664 1.00 0.00 O ATOM 370 CG2 THR A 25 13.371 -18.502 -7.642 1.00 0.00 C ATOM 0 H THR A 25 14.799 -17.624 -5.308 1.00 0.00 H new ATOM 0 HA THR A 25 12.061 -16.798 -5.866 1.00 0.00 H new ATOM 0 HB THR A 25 11.745 -19.100 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.591 -20.575 -6.247 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.392 -19.425 -8.222 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.762 -17.762 -8.161 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.386 -18.121 -7.528 1.00 0.00 H new ATOM 378 N ARG A 26 10.908 -18.441 -4.024 1.00 0.00 N ATOM 379 CA ARG A 26 10.244 -18.808 -2.778 1.00 0.00 C ATOM 380 C ARG A 26 11.062 -19.838 -2.001 1.00 0.00 C ATOM 381 O ARG A 26 10.995 -19.896 -0.773 1.00 0.00 O ATOM 382 CB ARG A 26 8.844 -19.356 -3.064 1.00 0.00 C ATOM 383 CG ARG A 26 7.974 -18.408 -3.875 1.00 0.00 C ATOM 384 CD ARG A 26 7.030 -17.613 -2.986 1.00 0.00 C ATOM 385 NE ARG A 26 5.774 -18.322 -2.753 1.00 0.00 N ATOM 386 CZ ARG A 26 4.826 -17.901 -1.917 1.00 0.00 C ATOM 387 NH1 ARG A 26 5.012 -16.809 -1.185 1.00 0.00 N ATOM 388 NH2 ARG A 26 3.694 -18.584 -1.804 1.00 0.00 N ATOM 0 H ARG A 26 10.372 -18.647 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 26 10.157 -17.910 -2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.935 -20.301 -3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.347 -19.573 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.608 -17.723 -4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.396 -18.977 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.515 -17.410 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.822 -16.648 -3.449 1.00 0.00 H new ATOM 0 HE ARG A 26 5.613 -19.192 -3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.885 -16.287 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.282 -16.492 -0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.551 -19.429 -2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.967 -18.264 -1.165 1.00 0.00 H new ATOM 402 N ALA A 27 11.813 -20.664 -2.724 1.00 0.00 N ATOM 403 CA ALA A 27 12.622 -21.706 -2.100 1.00 0.00 C ATOM 404 C ALA A 27 13.965 -21.180 -1.587 1.00 0.00 C ATOM 405 O ALA A 27 14.836 -21.963 -1.208 1.00 0.00 O ATOM 406 CB ALA A 27 12.845 -22.848 -3.079 1.00 0.00 C ATOM 0 H ALA A 27 11.878 -20.632 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 27 12.069 -22.067 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.450 -23.621 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.883 -23.269 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.362 -22.474 -3.963 1.00 0.00 H new ATOM 412 N GLN A 28 14.143 -19.860 -1.591 1.00 0.00 N ATOM 413 CA GLN A 28 15.395 -19.246 -1.143 1.00 0.00 C ATOM 414 C GLN A 28 16.558 -19.575 -2.078 1.00 0.00 C ATOM 415 O GLN A 28 17.693 -19.766 -1.640 1.00 0.00 O ATOM 416 CB GLN A 28 15.731 -19.707 0.278 1.00 0.00 C ATOM 417 CG GLN A 28 14.535 -19.706 1.219 1.00 0.00 C ATOM 418 CD GLN A 28 14.716 -20.641 2.399 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.047 -21.670 2.498 1.00 0.00 O ATOM 420 NE2 GLN A 28 15.622 -20.287 3.303 1.00 0.00 N ATOM 0 H GLN A 28 13.436 -19.193 -1.900 1.00 0.00 H new ATOM 0 HA GLN A 28 15.250 -18.166 -1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.148 -20.713 0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.505 -19.058 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.368 -18.693 1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.642 -19.996 0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.154 -19.425 3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.786 -20.877 4.119 1.00 0.00 H new ATOM 429 N GLN A 29 16.263 -19.595 -3.373 1.00 0.00 N ATOM 430 CA GLN A 29 17.267 -19.851 -4.400 1.00 0.00 C ATOM 431 C GLN A 29 17.349 -18.641 -5.326 1.00 0.00 C ATOM 432 O GLN A 29 16.322 -18.095 -5.720 1.00 0.00 O ATOM 433 CB GLN A 29 16.915 -21.111 -5.192 1.00 0.00 C ATOM 434 CG GLN A 29 16.783 -22.350 -4.322 1.00 0.00 C ATOM 435 CD GLN A 29 18.124 -22.988 -4.014 1.00 0.00 C ATOM 436 OE1 GLN A 29 18.493 -23.155 -2.852 1.00 0.00 O ATOM 437 NE2 GLN A 29 18.860 -23.348 -5.058 1.00 0.00 N ATOM 0 H GLN A 29 15.325 -19.435 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 29 18.236 -20.013 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.978 -20.947 -5.724 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.683 -21.285 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.288 -22.083 -3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.145 -23.077 -4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.514 -23.190 -6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 29 19.772 -23.782 -4.914 1.00 0.00 H new ATOM 446 N PHE A 30 18.562 -18.202 -5.654 1.00 0.00 N ATOM 447 CA PHE A 30 18.731 -17.029 -6.513 1.00 0.00 C ATOM 448 C PHE A 30 18.845 -17.415 -7.983 1.00 0.00 C ATOM 449 O PHE A 30 19.697 -18.218 -8.364 1.00 0.00 O ATOM 450 CB PHE A 30 19.970 -16.236 -6.096 1.00 0.00 C ATOM 451 CG PHE A 30 19.840 -15.585 -4.748 1.00 0.00 C ATOM 452 CD1 PHE A 30 20.088 -16.305 -3.592 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.468 -14.254 -4.639 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.968 -15.711 -2.350 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.346 -13.654 -3.401 1.00 0.00 C ATOM 456 CZ PHE A 30 19.596 -14.383 -2.254 1.00 0.00 C ATOM 0 H PHE A 30 19.433 -18.633 -5.344 1.00 0.00 H new ATOM 0 HA PHE A 30 17.842 -16.410 -6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.832 -16.903 -6.087 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.169 -15.468 -6.844 1.00 0.00 H new ATOM 0 HD1 PHE A 30 20.379 -17.343 -3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.271 -13.680 -5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 30 20.165 -16.283 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.056 -12.616 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.501 -13.916 -1.285 1.00 0.00 H new ATOM 466 N VAL A 31 17.979 -16.829 -8.804 1.00 0.00 N ATOM 467 CA VAL A 31 17.974 -17.095 -10.234 1.00 0.00 C ATOM 468 C VAL A 31 17.977 -15.791 -11.026 1.00 0.00 C ATOM 469 O VAL A 31 17.485 -14.767 -10.552 1.00 0.00 O ATOM 470 CB VAL A 31 16.748 -17.930 -10.646 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.923 -19.381 -10.226 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.480 -17.342 -10.047 1.00 0.00 C ATOM 0 H VAL A 31 17.269 -16.164 -8.499 1.00 0.00 H new ATOM 0 HA VAL A 31 18.878 -17.661 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 31 16.658 -17.901 -11.732 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.046 -19.955 -10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.809 -19.795 -10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.039 -19.435 -9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.622 -17.944 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.558 -17.340 -8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.349 -16.320 -10.403 1.00 0.00 H new ATOM 482 N SER A 32 18.560 -15.825 -12.219 1.00 0.00 N ATOM 483 CA SER A 32 18.649 -14.633 -13.057 1.00 0.00 C ATOM 484 C SER A 32 17.286 -14.240 -13.629 1.00 0.00 C ATOM 485 O SER A 32 16.535 -15.081 -14.126 1.00 0.00 O ATOM 486 CB SER A 32 19.653 -14.857 -14.190 1.00 0.00 C ATOM 487 OG SER A 32 19.057 -15.545 -15.275 1.00 0.00 O ATOM 0 H SER A 32 18.977 -16.661 -12.627 1.00 0.00 H new ATOM 0 HA SER A 32 18.993 -13.812 -12.428 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.038 -13.897 -14.533 1.00 0.00 H new ATOM 0 HB3 SER A 32 20.504 -15.428 -13.818 1.00 0.00 H new ATOM 0 HG SER A 32 19.720 -15.673 -15.985 1.00 0.00 H new ATOM 493 N THR A 33 16.986 -12.944 -13.549 1.00 0.00 N ATOM 494 CA THR A 33 15.726 -12.394 -14.043 1.00 0.00 C ATOM 495 C THR A 33 15.957 -11.022 -14.670 1.00 0.00 C ATOM 496 O THR A 33 16.987 -10.390 -14.432 1.00 0.00 O ATOM 497 CB THR A 33 14.710 -12.281 -12.908 1.00 0.00 C ATOM 498 OG1 THR A 33 13.567 -11.557 -13.331 1.00 0.00 O ATOM 499 CG2 THR A 33 15.264 -11.591 -11.682 1.00 0.00 C ATOM 0 H THR A 33 17.609 -12.247 -13.140 1.00 0.00 H new ATOM 0 HA THR A 33 15.331 -13.069 -14.802 1.00 0.00 H new ATOM 0 HB THR A 33 14.451 -13.306 -12.643 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.060 -12.093 -13.976 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.494 -11.542 -10.912 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.119 -12.151 -11.304 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.579 -10.581 -11.944 1.00 0.00 H new ATOM 507 N LYS A 34 15.007 -10.565 -15.479 1.00 0.00 N ATOM 508 CA LYS A 34 15.148 -9.277 -16.138 1.00 0.00 C ATOM 509 C LYS A 34 13.818 -8.538 -16.249 1.00 0.00 C ATOM 510 O LYS A 34 12.745 -9.142 -16.251 1.00 0.00 O ATOM 511 CB LYS A 34 15.746 -9.473 -17.532 1.00 0.00 C ATOM 512 CG LYS A 34 16.242 -8.186 -18.173 1.00 0.00 C ATOM 513 CD LYS A 34 16.681 -8.415 -19.611 1.00 0.00 C ATOM 514 CE LYS A 34 18.193 -8.529 -19.721 1.00 0.00 C ATOM 515 NZ LYS A 34 18.656 -8.453 -21.135 1.00 0.00 N ATOM 0 H LYS A 34 14.142 -11.062 -15.691 1.00 0.00 H new ATOM 0 HA LYS A 34 15.813 -8.667 -15.527 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.575 -10.178 -17.466 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.994 -9.924 -18.180 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.451 -7.437 -18.148 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.076 -7.788 -17.595 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.218 -9.325 -19.993 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.331 -7.593 -20.235 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.660 -7.731 -19.143 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.518 -9.473 -19.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.692 -8.535 -21.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.231 -9.229 -21.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.368 -7.542 -21.546 1.00 0.00 H new ATOM 529 N ILE A 35 13.917 -7.219 -16.366 1.00 0.00 N ATOM 530 CA ILE A 35 12.758 -6.346 -16.502 1.00 0.00 C ATOM 531 C ILE A 35 13.055 -5.312 -17.584 1.00 0.00 C ATOM 532 O ILE A 35 14.076 -4.627 -17.523 1.00 0.00 O ATOM 533 CB ILE A 35 12.429 -5.646 -15.163 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.164 -4.797 -15.286 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.602 -4.801 -14.693 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.930 -5.487 -14.748 1.00 0.00 C ATOM 0 H ILE A 35 14.808 -6.723 -16.369 1.00 0.00 H new ATOM 0 HA ILE A 35 11.888 -6.941 -16.782 1.00 0.00 H new ATOM 0 HB ILE A 35 12.245 -6.418 -14.416 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.310 -3.859 -14.751 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.004 -4.545 -16.334 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.348 -4.318 -13.749 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.475 -5.438 -14.551 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.825 -4.040 -15.441 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.067 -4.832 -14.865 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.761 -6.412 -15.299 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.072 -5.715 -13.692 1.00 0.00 H new ATOM 548 N ASN A 36 12.192 -5.217 -18.596 1.00 0.00 N ATOM 549 CA ASN A 36 12.416 -4.287 -19.700 1.00 0.00 C ATOM 550 C ASN A 36 11.825 -2.916 -19.397 1.00 0.00 C ATOM 551 O ASN A 36 10.618 -2.781 -19.205 1.00 0.00 O ATOM 552 CB ASN A 36 11.788 -4.845 -20.977 1.00 0.00 C ATOM 553 CG ASN A 36 12.395 -4.242 -22.226 1.00 0.00 C ATOM 554 OD1 ASN A 36 12.985 -3.163 -22.186 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.255 -4.942 -23.347 1.00 0.00 N ATOM 0 H ASN A 36 11.338 -5.769 -18.673 1.00 0.00 H new ATOM 0 HA ASN A 36 13.492 -4.172 -19.835 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.916 -5.927 -20.999 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.715 -4.651 -20.967 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.645 -4.589 -24.221 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.758 -5.832 -23.333 1.00 0.00 H new ATOM 562 N LEU A 37 12.676 -1.899 -19.362 1.00 0.00 N ATOM 563 CA LEU A 37 12.222 -0.544 -19.083 1.00 0.00 C ATOM 564 C LEU A 37 11.819 0.195 -20.361 1.00 0.00 C ATOM 565 O LEU A 37 11.194 1.252 -20.292 1.00 0.00 O ATOM 566 CB LEU A 37 13.305 0.235 -18.329 1.00 0.00 C ATOM 567 CG LEU A 37 13.815 -0.449 -17.057 1.00 0.00 C ATOM 568 CD1 LEU A 37 14.927 -1.434 -17.386 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.292 0.584 -16.045 1.00 0.00 C ATOM 0 H LEU A 37 13.680 -1.986 -19.523 1.00 0.00 H new ATOM 0 HA LEU A 37 11.334 -0.615 -18.454 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.148 0.400 -19.000 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.911 1.216 -18.065 1.00 0.00 H new ATOM 0 HG LEU A 37 12.989 -1.004 -16.613 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.275 -1.909 -16.469 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.549 -2.195 -18.068 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.755 -0.904 -17.857 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.650 0.077 -15.149 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.102 1.171 -16.478 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.466 1.245 -15.782 1.00 0.00 H new ATOM 581 N ASP A 38 12.203 -0.334 -21.526 1.00 0.00 N ATOM 582 CA ASP A 38 11.887 0.328 -22.789 1.00 0.00 C ATOM 583 C ASP A 38 10.374 0.526 -22.965 1.00 0.00 C ATOM 584 O ASP A 38 9.930 1.599 -23.374 1.00 0.00 O ATOM 585 CB ASP A 38 12.490 -0.442 -23.978 1.00 0.00 C ATOM 586 CG ASP A 38 11.646 -1.618 -24.439 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.053 -2.301 -23.580 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.585 -1.856 -25.664 1.00 0.00 O ATOM 0 H ASP A 38 12.725 -1.205 -21.619 1.00 0.00 H new ATOM 0 HA ASP A 38 12.340 1.319 -22.762 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.625 0.246 -24.813 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.480 -0.804 -23.700 1.00 0.00 H new ATOM 593 N ASP A 39 9.575 -0.491 -22.643 1.00 0.00 N ATOM 594 CA ASP A 39 8.118 -0.370 -22.756 1.00 0.00 C ATOM 595 C ASP A 39 7.488 0.085 -21.442 1.00 0.00 C ATOM 596 O ASP A 39 6.306 0.423 -21.403 1.00 0.00 O ATOM 597 CB ASP A 39 7.461 -1.671 -23.215 1.00 0.00 C ATOM 598 CG ASP A 39 8.095 -2.902 -22.600 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.771 -3.216 -21.435 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.913 -3.552 -23.283 1.00 0.00 O ATOM 0 H ASP A 39 9.903 -1.396 -22.306 1.00 0.00 H new ATOM 0 HA ASP A 39 7.938 0.389 -23.517 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.402 -1.647 -22.958 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.524 -1.740 -24.301 1.00 0.00 H new ATOM 605 N HIS A 40 8.270 0.094 -20.363 1.00 0.00 N ATOM 606 CA HIS A 40 7.760 0.515 -19.060 1.00 0.00 C ATOM 607 C HIS A 40 8.136 1.967 -18.805 1.00 0.00 C ATOM 608 O HIS A 40 7.270 2.839 -18.718 1.00 0.00 O ATOM 609 CB HIS A 40 8.321 -0.382 -17.949 1.00 0.00 C ATOM 610 CG HIS A 40 7.522 -1.633 -17.736 1.00 0.00 C ATOM 611 ND1 HIS A 40 7.885 -2.938 -17.780 1.00 0.00 N flip ATOM 612 CD2 HIS A 40 6.171 -1.624 -17.456 1.00 0.00 C flip ATOM 613 CE1 HIS A 40 6.758 -3.682 -17.531 1.00 0.00 C flip ATOM 614 NE2 HIS A 40 5.739 -2.867 -17.339 1.00 0.00 N flip ATOM 0 H HIS A 40 9.252 -0.183 -20.365 1.00 0.00 H new ATOM 0 HA HIS A 40 6.674 0.423 -19.060 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.348 -0.653 -18.194 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.354 0.183 -17.017 1.00 0.00 H new ATOM 0 HD1 HIS A 40 8.821 -3.300 -17.964 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.562 -0.739 -17.349 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.713 -4.761 -17.498 1.00 0.00 H new ATOM 623 N ILE A 41 9.436 2.221 -18.707 1.00 0.00 N ATOM 624 CA ILE A 41 9.935 3.568 -18.491 1.00 0.00 C ATOM 625 C ILE A 41 9.953 4.344 -19.799 1.00 0.00 C ATOM 626 O ILE A 41 10.192 3.780 -20.864 1.00 0.00 O ATOM 627 CB ILE A 41 11.354 3.560 -17.886 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.401 2.639 -16.669 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.781 4.971 -17.506 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.499 3.089 -15.542 1.00 0.00 C ATOM 0 H ILE A 41 10.162 1.508 -18.774 1.00 0.00 H new ATOM 0 HA ILE A 41 9.261 4.052 -17.784 1.00 0.00 H new ATOM 0 HB ILE A 41 12.051 3.184 -18.635 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.116 1.632 -16.973 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.427 2.583 -16.304 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.784 4.945 -17.081 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.779 5.603 -18.394 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.086 5.376 -16.771 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.581 2.390 -14.709 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.798 4.084 -15.212 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.467 3.118 -15.891 1.00 0.00 H new ATOM 642 N ALA A 42 9.691 5.639 -19.706 1.00 0.00 N ATOM 643 CA ALA A 42 9.672 6.499 -20.885 1.00 0.00 C ATOM 644 C ALA A 42 10.354 7.832 -20.614 1.00 0.00 C ATOM 645 O ALA A 42 10.725 8.139 -19.481 1.00 0.00 O ATOM 646 CB ALA A 42 8.245 6.730 -21.351 1.00 0.00 C ATOM 0 H ALA A 42 9.489 6.119 -18.829 1.00 0.00 H new ATOM 0 HA ALA A 42 10.227 5.990 -21.673 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.249 7.373 -22.231 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.785 5.774 -21.602 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.675 7.208 -20.555 1.00 0.00 H new ATOM 652 N ASN A 43 10.539 8.604 -21.677 1.00 0.00 N ATOM 653 CA ASN A 43 11.197 9.899 -21.585 1.00 0.00 C ATOM 654 C ASN A 43 10.223 11.038 -21.886 1.00 0.00 C ATOM 655 O ASN A 43 9.780 11.206 -23.022 1.00 0.00 O ATOM 656 CB ASN A 43 12.378 9.940 -22.553 1.00 0.00 C ATOM 657 CG ASN A 43 13.099 11.270 -22.544 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.865 11.565 -21.629 1.00 0.00 O ATOM 659 ND2 ASN A 43 12.853 12.079 -23.568 1.00 0.00 N ATOM 0 H ASN A 43 10.240 8.352 -22.619 1.00 0.00 H new ATOM 0 HA ASN A 43 11.558 10.033 -20.565 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.082 9.149 -22.294 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.022 9.732 -23.562 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.308 12.990 -23.619 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.209 11.789 -24.304 1.00 0.00 H new ATOM 666 N ILE A 44 9.910 11.825 -20.861 1.00 0.00 N ATOM 667 CA ILE A 44 9.006 12.961 -21.008 1.00 0.00 C ATOM 668 C ILE A 44 9.765 14.276 -20.810 1.00 0.00 C ATOM 669 O ILE A 44 9.956 14.733 -19.683 1.00 0.00 O ATOM 670 CB ILE A 44 7.821 12.876 -20.018 1.00 0.00 C ATOM 671 CG1 ILE A 44 6.951 11.658 -20.339 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.982 14.147 -20.065 1.00 0.00 C ATOM 673 CD1 ILE A 44 7.631 10.333 -20.070 1.00 0.00 C ATOM 0 H ILE A 44 10.271 11.696 -19.916 1.00 0.00 H new ATOM 0 HA ILE A 44 8.600 12.932 -22.019 1.00 0.00 H new ATOM 0 HB ILE A 44 8.224 12.769 -19.011 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.035 11.712 -19.750 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.658 11.699 -21.388 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.155 14.063 -19.360 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.602 15.002 -19.797 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.588 14.286 -21.072 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.952 9.518 -20.321 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.532 10.256 -20.679 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.899 10.269 -19.015 1.00 0.00 H new ATOM 685 N ASP A 45 10.203 14.868 -21.918 1.00 0.00 N ATOM 686 CA ASP A 45 10.952 16.125 -21.883 1.00 0.00 C ATOM 687 C ASP A 45 12.289 15.948 -21.166 1.00 0.00 C ATOM 688 O ASP A 45 12.739 16.838 -20.443 1.00 0.00 O ATOM 689 CB ASP A 45 10.137 17.222 -21.191 1.00 0.00 C ATOM 690 CG ASP A 45 10.692 18.608 -21.463 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.880 18.710 -21.835 1.00 0.00 O ATOM 692 OD2 ASP A 45 9.939 19.592 -21.303 1.00 0.00 O ATOM 0 H ASP A 45 10.052 14.497 -22.856 1.00 0.00 H new ATOM 0 HA ASP A 45 11.146 16.422 -22.914 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.103 17.173 -21.532 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.127 17.041 -20.116 1.00 0.00 H new ATOM 697 N GLY A 46 12.927 14.803 -21.381 1.00 0.00 N ATOM 698 CA GLY A 46 14.213 14.543 -20.756 1.00 0.00 C ATOM 699 C GLY A 46 14.094 14.046 -19.325 1.00 0.00 C ATOM 700 O GLY A 46 15.092 13.980 -18.606 1.00 0.00 O ATOM 0 H GLY A 46 12.579 14.051 -21.975 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.754 13.804 -21.347 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.807 15.457 -20.768 1.00 0.00 H new ATOM 704 N THR A 47 12.883 13.686 -18.909 1.00 0.00 N ATOM 705 CA THR A 47 12.658 13.187 -17.555 1.00 0.00 C ATOM 706 C THR A 47 12.080 11.776 -17.589 1.00 0.00 C ATOM 707 O THR A 47 11.208 11.471 -18.403 1.00 0.00 O ATOM 708 CB THR A 47 11.711 14.116 -16.791 1.00 0.00 C ATOM 709 OG1 THR A 47 12.017 15.474 -17.052 1.00 0.00 O ATOM 710 CG2 THR A 47 11.756 13.916 -15.290 1.00 0.00 C ATOM 0 H THR A 47 12.044 13.730 -19.488 1.00 0.00 H new ATOM 0 HA THR A 47 13.619 13.160 -17.042 1.00 0.00 H new ATOM 0 HB THR A 47 10.712 13.862 -17.146 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.399 16.050 -16.555 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.061 14.606 -14.810 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.473 12.891 -15.051 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.766 14.108 -14.928 1.00 0.00 H new ATOM 718 N LEU A 48 12.600 10.914 -16.727 1.00 0.00 N ATOM 719 CA LEU A 48 12.166 9.523 -16.688 1.00 0.00 C ATOM 720 C LEU A 48 10.822 9.373 -15.982 1.00 0.00 C ATOM 721 O LEU A 48 10.677 9.684 -14.800 1.00 0.00 O ATOM 722 CB LEU A 48 13.220 8.663 -15.987 1.00 0.00 C ATOM 723 CG LEU A 48 14.450 8.331 -16.833 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.617 7.923 -15.946 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.125 7.231 -17.831 1.00 0.00 C ATOM 0 H LEU A 48 13.321 11.152 -16.046 1.00 0.00 H new ATOM 0 HA LEU A 48 12.045 9.185 -17.717 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.547 9.179 -15.085 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.754 7.730 -15.669 1.00 0.00 H new ATOM 0 HG LEU A 48 14.740 9.224 -17.386 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.482 7.691 -16.567 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.864 8.742 -15.271 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.342 7.043 -15.364 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.010 7.006 -18.426 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.810 6.335 -17.296 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.321 7.562 -18.488 1.00 0.00 H new ATOM 737 N LYS A 49 9.845 8.887 -16.744 1.00 0.00 N ATOM 738 CA LYS A 49 8.491 8.673 -16.252 1.00 0.00 C ATOM 739 C LYS A 49 7.942 7.359 -16.792 1.00 0.00 C ATOM 740 O LYS A 49 8.481 6.801 -17.747 1.00 0.00 O ATOM 741 CB LYS A 49 7.577 9.832 -16.646 1.00 0.00 C ATOM 742 CG LYS A 49 8.213 11.197 -16.450 1.00 0.00 C ATOM 743 CD LYS A 49 7.162 12.269 -16.213 1.00 0.00 C ATOM 744 CE LYS A 49 7.744 13.471 -15.486 1.00 0.00 C ATOM 745 NZ LYS A 49 6.681 14.326 -14.888 1.00 0.00 N ATOM 0 H LYS A 49 9.973 8.630 -17.723 1.00 0.00 H new ATOM 0 HA LYS A 49 8.524 8.624 -15.164 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.291 9.720 -17.692 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.661 9.779 -16.058 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.898 11.163 -15.603 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.805 11.454 -17.328 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.744 12.588 -17.168 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.341 11.852 -15.629 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.419 13.129 -14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.338 14.064 -16.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.118 15.134 -14.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.051 14.673 -15.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.130 13.768 -14.205 1.00 0.00 H new ATOM 759 N TRP A 50 6.876 6.860 -16.180 1.00 0.00 N ATOM 760 CA TRP A 50 6.281 5.600 -16.612 1.00 0.00 C ATOM 761 C TRP A 50 5.285 5.805 -17.756 1.00 0.00 C ATOM 762 O TRP A 50 4.281 6.499 -17.604 1.00 0.00 O ATOM 763 CB TRP A 50 5.604 4.903 -15.430 1.00 0.00 C ATOM 764 CG TRP A 50 6.592 4.217 -14.540 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.293 3.081 -14.822 1.00 0.00 C ATOM 766 CD2 TRP A 50 7.008 4.633 -13.236 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.125 2.770 -13.776 1.00 0.00 N ATOM 768 CE2 TRP A 50 7.965 3.706 -12.789 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.667 5.702 -12.405 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.583 3.814 -11.548 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.282 5.807 -11.173 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.232 4.869 -10.755 1.00 0.00 C ATOM 0 H TRP A 50 6.408 7.303 -15.389 1.00 0.00 H new ATOM 0 HA TRP A 50 7.083 4.965 -16.988 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.043 5.636 -14.851 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.885 4.173 -15.803 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.206 2.510 -15.735 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.759 1.972 -13.740 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.936 6.433 -12.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.315 3.089 -11.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.025 6.628 -10.520 1.00 0.00 H new ATOM 0 HH2 TRP A 50 8.697 4.981 -9.787 1.00 0.00 H new ATOM 783 N GLN A 51 5.582 5.181 -18.898 1.00 0.00 N ATOM 784 CA GLN A 51 4.737 5.263 -20.095 1.00 0.00 C ATOM 785 C GLN A 51 5.211 4.239 -21.125 1.00 0.00 C ATOM 786 O GLN A 51 6.391 3.892 -21.156 1.00 0.00 O ATOM 787 CB GLN A 51 4.806 6.661 -20.725 1.00 0.00 C ATOM 788 CG GLN A 51 4.062 7.739 -19.957 1.00 0.00 C ATOM 789 CD GLN A 51 3.451 8.784 -20.874 1.00 0.00 C ATOM 790 OE1 GLN A 51 3.573 8.700 -22.096 1.00 0.00 O ATOM 791 NE2 GLN A 51 2.791 9.777 -20.288 1.00 0.00 N ATOM 0 H GLN A 51 6.414 4.604 -19.021 1.00 0.00 H new ATOM 0 HA GLN A 51 3.708 5.059 -19.798 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.852 6.954 -20.814 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.402 6.610 -21.736 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.275 7.279 -19.360 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.747 8.225 -19.262 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.714 9.808 -19.271 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.361 10.508 -20.855 1.00 0.00 H new ATOM 800 N PRO A 52 4.307 3.734 -21.987 1.00 0.00 N ATOM 801 CA PRO A 52 4.673 2.743 -23.004 1.00 0.00 C ATOM 802 C PRO A 52 5.507 3.345 -24.127 1.00 0.00 C ATOM 803 O PRO A 52 5.118 3.318 -25.295 1.00 0.00 O ATOM 804 CB PRO A 52 3.328 2.254 -23.530 1.00 0.00 C ATOM 805 CG PRO A 52 2.397 3.395 -23.298 1.00 0.00 C ATOM 806 CD PRO A 52 2.873 4.077 -22.040 1.00 0.00 C ATOM 0 HA PRO A 52 5.293 1.947 -22.591 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.385 1.998 -24.588 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.998 1.359 -23.003 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.408 4.084 -24.142 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.371 3.044 -23.186 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.719 5.155 -22.085 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.340 3.715 -21.161 1.00 0.00 H new ATOM 814 N SER A 53 6.665 3.870 -23.757 1.00 0.00 N ATOM 815 CA SER A 53 7.593 4.470 -24.705 1.00 0.00 C ATOM 816 C SER A 53 9.006 4.368 -24.144 1.00 0.00 C ATOM 817 O SER A 53 9.218 4.597 -22.955 1.00 0.00 O ATOM 818 CB SER A 53 7.225 5.931 -24.977 1.00 0.00 C ATOM 819 OG SER A 53 6.841 6.592 -23.785 1.00 0.00 O ATOM 0 H SER A 53 6.989 3.892 -22.790 1.00 0.00 H new ATOM 0 HA SER A 53 7.537 3.935 -25.653 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.075 6.446 -25.424 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.410 5.975 -25.699 1.00 0.00 H new ATOM 0 HG SER A 53 6.613 7.524 -23.986 1.00 0.00 H new ATOM 825 N ASN A 54 9.960 3.985 -24.982 1.00 0.00 N ATOM 826 CA ASN A 54 11.343 3.812 -24.535 1.00 0.00 C ATOM 827 C ASN A 54 12.104 5.126 -24.458 1.00 0.00 C ATOM 828 O ASN A 54 12.399 5.754 -25.476 1.00 0.00 O ATOM 829 CB ASN A 54 12.085 2.849 -25.456 1.00 0.00 C ATOM 830 CG ASN A 54 12.017 3.260 -26.913 1.00 0.00 C ATOM 831 OD1 ASN A 54 11.087 3.947 -27.336 1.00 0.00 O ATOM 832 ND2 ASN A 54 13.009 2.838 -27.689 1.00 0.00 N ATOM 0 H ASN A 54 9.807 3.788 -25.971 1.00 0.00 H new ATOM 0 HA ASN A 54 11.294 3.400 -23.527 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.129 2.791 -25.148 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.664 1.850 -25.345 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.021 3.082 -28.679 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.759 2.270 -27.294 1.00 0.00 H new ATOM 839 N PHE A 55 12.449 5.514 -23.238 1.00 0.00 N ATOM 840 CA PHE A 55 13.212 6.730 -22.999 1.00 0.00 C ATOM 841 C PHE A 55 14.481 6.741 -23.855 1.00 0.00 C ATOM 842 O PHE A 55 14.940 7.792 -24.300 1.00 0.00 O ATOM 843 CB PHE A 55 13.575 6.835 -21.514 1.00 0.00 C ATOM 844 CG PHE A 55 14.367 5.663 -21.006 1.00 0.00 C ATOM 845 CD1 PHE A 55 13.726 4.522 -20.547 1.00 0.00 C ATOM 846 CD2 PHE A 55 15.752 5.699 -20.994 1.00 0.00 C ATOM 847 CE1 PHE A 55 14.451 3.440 -20.088 1.00 0.00 C ATOM 848 CE2 PHE A 55 16.482 4.620 -20.534 1.00 0.00 C ATOM 849 CZ PHE A 55 15.832 3.489 -20.081 1.00 0.00 C ATOM 0 H PHE A 55 12.209 4.998 -22.391 1.00 0.00 H new ATOM 0 HA PHE A 55 12.600 7.588 -23.277 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.148 7.748 -21.352 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.659 6.925 -20.930 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.647 4.479 -20.549 1.00 0.00 H new ATOM 0 HD2 PHE A 55 16.267 6.580 -21.348 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.939 2.557 -19.735 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.561 4.661 -20.529 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.402 2.645 -19.722 1.00 0.00 H new ATOM 859 N SER A 56 15.039 5.548 -24.074 1.00 0.00 N ATOM 860 CA SER A 56 16.266 5.380 -24.855 1.00 0.00 C ATOM 861 C SER A 56 16.220 6.119 -26.192 1.00 0.00 C ATOM 862 O SER A 56 17.262 6.401 -26.783 1.00 0.00 O ATOM 863 CB SER A 56 16.533 3.897 -25.105 1.00 0.00 C ATOM 864 OG SER A 56 15.625 3.366 -26.054 1.00 0.00 O ATOM 0 H SER A 56 14.654 4.674 -23.716 1.00 0.00 H new ATOM 0 HA SER A 56 17.074 5.814 -24.266 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.555 3.764 -25.461 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.447 3.346 -24.168 1.00 0.00 H new ATOM 0 HG SER A 56 15.819 2.416 -26.197 1.00 0.00 H new ATOM 870 N GLN A 57 15.021 6.422 -26.673 1.00 0.00 N ATOM 871 CA GLN A 57 14.874 7.112 -27.948 1.00 0.00 C ATOM 872 C GLN A 57 15.527 8.493 -27.899 1.00 0.00 C ATOM 873 O GLN A 57 15.947 9.025 -28.927 1.00 0.00 O ATOM 874 CB GLN A 57 13.393 7.233 -28.310 1.00 0.00 C ATOM 875 CG GLN A 57 12.734 5.897 -28.610 1.00 0.00 C ATOM 876 CD GLN A 57 12.654 5.605 -30.094 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.585 5.893 -30.847 1.00 0.00 O ATOM 878 NE2 GLN A 57 11.537 5.030 -30.523 1.00 0.00 N ATOM 0 H GLN A 57 14.142 6.203 -26.204 1.00 0.00 H new ATOM 0 HA GLN A 57 15.379 6.528 -28.717 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.864 7.714 -27.488 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.291 7.883 -29.179 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.293 5.102 -28.117 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.729 5.889 -28.188 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.791 4.809 -29.863 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.425 4.809 -31.512 1.00 0.00 H new ATOM 887 N THR A 58 15.635 9.058 -26.699 1.00 0.00 N ATOM 888 CA THR A 58 16.265 10.365 -26.525 1.00 0.00 C ATOM 889 C THR A 58 17.356 10.313 -25.454 1.00 0.00 C ATOM 890 O THR A 58 18.002 11.322 -25.173 1.00 0.00 O ATOM 891 CB THR A 58 15.239 11.425 -26.108 1.00 0.00 C ATOM 892 OG1 THR A 58 14.979 11.339 -24.719 1.00 0.00 O ATOM 893 CG2 THR A 58 13.908 11.319 -26.817 1.00 0.00 C ATOM 0 H THR A 58 15.296 8.634 -25.836 1.00 0.00 H new ATOM 0 HA THR A 58 16.702 10.632 -27.487 1.00 0.00 H new ATOM 0 HB THR A 58 15.695 12.375 -26.385 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.359 12.120 -24.266 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.243 12.106 -26.462 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.058 11.428 -27.891 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.462 10.346 -26.610 1.00 0.00 H new ATOM 901 N CYS A 59 17.535 9.152 -24.829 1.00 0.00 N ATOM 902 CA CYS A 59 18.524 9.015 -23.769 1.00 0.00 C ATOM 903 C CYS A 59 19.698 8.133 -24.181 1.00 0.00 C ATOM 904 O CYS A 59 19.549 7.198 -24.967 1.00 0.00 O ATOM 905 CB CYS A 59 17.866 8.442 -22.510 1.00 0.00 C ATOM 906 SG CYS A 59 16.252 9.185 -22.107 1.00 0.00 S ATOM 0 H CYS A 59 17.012 8.301 -25.037 1.00 0.00 H new ATOM 0 HA CYS A 59 18.917 10.011 -23.565 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.737 7.367 -22.638 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.540 8.584 -21.665 1.00 0.00 H new ATOM 911 N TYR A 60 20.870 8.451 -23.633 1.00 0.00 N ATOM 912 CA TYR A 60 22.095 7.703 -23.912 1.00 0.00 C ATOM 913 C TYR A 60 22.915 7.546 -22.634 1.00 0.00 C ATOM 914 O TYR A 60 22.749 8.313 -21.685 1.00 0.00 O ATOM 915 CB TYR A 60 22.930 8.404 -24.989 1.00 0.00 C ATOM 916 CG TYR A 60 23.308 9.830 -24.645 1.00 0.00 C ATOM 917 CD1 TYR A 60 24.409 10.102 -23.844 1.00 0.00 C ATOM 918 CD2 TYR A 60 22.569 10.901 -25.129 1.00 0.00 C ATOM 919 CE1 TYR A 60 24.762 11.401 -23.534 1.00 0.00 C ATOM 920 CE2 TYR A 60 22.916 12.203 -24.824 1.00 0.00 C ATOM 921 CZ TYR A 60 24.013 12.448 -24.027 1.00 0.00 C ATOM 922 OH TYR A 60 24.363 13.744 -23.721 1.00 0.00 O ATOM 0 H TYR A 60 20.997 9.230 -22.987 1.00 0.00 H new ATOM 0 HA TYR A 60 21.817 6.716 -24.282 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.840 7.829 -25.160 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.372 8.403 -25.925 1.00 0.00 H new ATOM 0 HD1 TYR A 60 24.999 9.284 -23.457 1.00 0.00 H new ATOM 0 HD2 TYR A 60 21.709 10.713 -25.754 1.00 0.00 H new ATOM 0 HE1 TYR A 60 25.621 11.595 -22.908 1.00 0.00 H new ATOM 0 HE2 TYR A 60 22.330 13.025 -25.208 1.00 0.00 H new ATOM 0 HH TYR A 60 24.006 14.349 -24.404 1.00 0.00 H new ATOM 932 N ASN A 61 23.780 6.535 -22.603 1.00 0.00 N ATOM 933 CA ASN A 61 24.603 6.272 -21.427 1.00 0.00 C ATOM 934 C ASN A 61 23.725 5.920 -20.230 1.00 0.00 C ATOM 935 O ASN A 61 23.927 6.423 -19.124 1.00 0.00 O ATOM 936 CB ASN A 61 25.481 7.486 -21.105 1.00 0.00 C ATOM 937 CG ASN A 61 26.545 7.721 -22.159 1.00 0.00 C ATOM 938 OD1 ASN A 61 26.586 7.033 -23.179 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.413 8.698 -21.921 1.00 0.00 N ATOM 0 H ASN A 61 23.928 5.887 -23.376 1.00 0.00 H new ATOM 0 HA ASN A 61 25.251 5.423 -21.643 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.854 8.373 -21.021 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.958 7.340 -20.136 1.00 0.00 H new ATOM 0 HD21 ASN A 61 28.149 8.902 -22.597 1.00 0.00 H new ATOM 0 HD22 ASN A 61 27.343 9.244 -21.062 1.00 0.00 H new ATOM 946 N SER A 62 22.742 5.055 -20.466 1.00 0.00 N ATOM 947 CA SER A 62 21.827 4.625 -19.416 1.00 0.00 C ATOM 948 C SER A 62 22.544 3.735 -18.410 1.00 0.00 C ATOM 949 O SER A 62 23.320 2.854 -18.784 1.00 0.00 O ATOM 950 CB SER A 62 20.630 3.891 -20.024 1.00 0.00 C ATOM 951 OG SER A 62 19.870 4.754 -20.851 1.00 0.00 O ATOM 0 H SER A 62 22.560 4.638 -21.379 1.00 0.00 H new ATOM 0 HA SER A 62 21.464 5.509 -18.891 1.00 0.00 H new ATOM 0 HB2 SER A 62 20.980 3.039 -20.606 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.999 3.496 -19.228 1.00 0.00 H new ATOM 0 HG SER A 62 19.312 4.221 -21.455 1.00 0.00 H new ATOM 957 N ALA A 63 22.280 3.976 -17.130 1.00 0.00 N ATOM 958 CA ALA A 63 22.905 3.203 -16.064 1.00 0.00 C ATOM 959 C ALA A 63 21.956 2.961 -14.899 1.00 0.00 C ATOM 960 O ALA A 63 21.031 3.737 -14.662 1.00 0.00 O ATOM 961 CB ALA A 63 24.150 3.916 -15.566 1.00 0.00 C ATOM 0 H ALA A 63 21.638 4.700 -16.806 1.00 0.00 H new ATOM 0 HA ALA A 63 23.173 2.233 -16.482 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.610 3.331 -14.770 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.857 4.030 -16.388 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.877 4.899 -15.183 1.00 0.00 H new ATOM 967 N ILE A 64 22.200 1.880 -14.167 1.00 0.00 N ATOM 968 CA ILE A 64 21.376 1.541 -13.022 1.00 0.00 C ATOM 969 C ILE A 64 22.222 1.235 -11.794 1.00 0.00 C ATOM 970 O ILE A 64 23.259 0.577 -11.879 1.00 0.00 O ATOM 971 CB ILE A 64 20.452 0.350 -13.332 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.400 0.792 -14.345 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.785 -0.173 -12.061 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.404 -0.281 -14.696 1.00 0.00 C ATOM 0 H ILE A 64 22.962 1.227 -14.349 1.00 0.00 H new ATOM 0 HA ILE A 64 20.760 2.414 -12.805 1.00 0.00 H new ATOM 0 HB ILE A 64 21.045 -0.464 -13.749 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.865 1.654 -13.946 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.901 1.121 -15.255 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.138 -1.014 -12.309 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.550 -0.499 -11.357 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.191 0.621 -11.609 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.689 0.109 -15.421 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.926 -1.136 -15.125 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.874 -0.594 -13.796 1.00 0.00 H new ATOM 986 N GLN A 65 21.746 1.705 -10.651 1.00 0.00 N ATOM 987 CA GLN A 65 22.414 1.485 -9.379 1.00 0.00 C ATOM 988 C GLN A 65 21.373 1.074 -8.351 1.00 0.00 C ATOM 989 O GLN A 65 20.537 1.880 -7.945 1.00 0.00 O ATOM 990 CB GLN A 65 23.146 2.750 -8.924 1.00 0.00 C ATOM 991 CG GLN A 65 24.044 3.353 -9.994 1.00 0.00 C ATOM 992 CD GLN A 65 24.621 4.694 -9.584 1.00 0.00 C ATOM 993 OE1 GLN A 65 24.057 5.393 -8.742 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.750 5.060 -10.179 1.00 0.00 N ATOM 0 H GLN A 65 20.886 2.249 -10.580 1.00 0.00 H new ATOM 0 HA GLN A 65 23.158 0.696 -9.489 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.411 3.494 -8.617 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.748 2.515 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.859 2.662 -10.211 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.474 3.473 -10.916 1.00 0.00 H new ATOM 0 HE21 GLN A 65 26.183 4.449 -10.871 1.00 0.00 H new ATOM 0 HE22 GLN A 65 26.184 5.952 -9.944 1.00 0.00 H new ATOM 1003 N GLY A 66 21.403 -0.193 -7.960 1.00 0.00 N ATOM 1004 CA GLY A 66 20.427 -0.689 -7.013 1.00 0.00 C ATOM 1005 C GLY A 66 19.038 -0.719 -7.622 1.00 0.00 C ATOM 1006 O GLY A 66 18.809 -1.413 -8.613 1.00 0.00 O ATOM 0 H GLY A 66 22.083 -0.883 -8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.707 -1.692 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.424 -0.057 -6.125 1.00 0.00 H new ATOM 1010 N SER A 67 18.103 0.018 -7.030 1.00 0.00 N ATOM 1011 CA SER A 67 16.732 0.049 -7.529 1.00 0.00 C ATOM 1012 C SER A 67 16.433 1.327 -8.315 1.00 0.00 C ATOM 1013 O SER A 67 15.340 1.478 -8.861 1.00 0.00 O ATOM 1014 CB SER A 67 15.749 -0.076 -6.365 1.00 0.00 C ATOM 1015 OG SER A 67 15.614 1.156 -5.678 1.00 0.00 O ATOM 0 H SER A 67 18.268 0.599 -6.208 1.00 0.00 H new ATOM 0 HA SER A 67 16.616 -0.795 -8.209 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.776 -0.396 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.094 -0.845 -5.674 1.00 0.00 H new ATOM 0 HG SER A 67 14.798 1.609 -5.976 1.00 0.00 H new ATOM 1021 N VAL A 68 17.396 2.242 -8.378 1.00 0.00 N ATOM 1022 CA VAL A 68 17.205 3.499 -9.103 1.00 0.00 C ATOM 1023 C VAL A 68 17.883 3.474 -10.474 1.00 0.00 C ATOM 1024 O VAL A 68 19.011 2.999 -10.614 1.00 0.00 O ATOM 1025 CB VAL A 68 17.741 4.702 -8.301 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.239 6.008 -8.897 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.342 4.594 -6.836 1.00 0.00 C ATOM 0 H VAL A 68 18.311 2.140 -7.940 1.00 0.00 H new ATOM 0 HA VAL A 68 16.130 3.610 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 68 18.829 4.693 -8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.628 6.845 -8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.580 6.092 -9.929 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.149 6.024 -8.872 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.731 5.453 -6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.255 4.574 -6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.754 3.678 -6.413 1.00 0.00 H new ATOM 1037 N LEU A 69 17.187 3.994 -11.482 1.00 0.00 N ATOM 1038 CA LEU A 69 17.718 4.044 -12.841 1.00 0.00 C ATOM 1039 C LEU A 69 18.243 5.442 -13.167 1.00 0.00 C ATOM 1040 O LEU A 69 17.519 6.433 -13.053 1.00 0.00 O ATOM 1041 CB LEU A 69 16.632 3.626 -13.848 1.00 0.00 C ATOM 1042 CG LEU A 69 16.848 4.084 -15.297 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.176 3.577 -15.835 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.701 3.614 -16.182 1.00 0.00 C ATOM 0 H LEU A 69 16.251 4.388 -11.382 1.00 0.00 H new ATOM 0 HA LEU A 69 18.551 3.345 -12.914 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.555 2.539 -13.839 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.675 4.016 -13.503 1.00 0.00 H new ATOM 0 HG LEU A 69 16.871 5.174 -15.307 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.305 3.915 -16.863 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.989 3.964 -15.221 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.188 2.487 -15.807 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.871 3.948 -17.206 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.646 2.526 -16.160 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.764 4.032 -15.815 1.00 0.00 H new ATOM 1056 N THR A 70 19.508 5.519 -13.580 1.00 0.00 N ATOM 1057 CA THR A 70 20.125 6.791 -13.936 1.00 0.00 C ATOM 1058 C THR A 70 20.464 6.797 -15.419 1.00 0.00 C ATOM 1059 O THR A 70 21.118 5.883 -15.914 1.00 0.00 O ATOM 1060 CB THR A 70 21.402 7.021 -13.122 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.222 6.623 -11.774 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.860 8.465 -13.120 1.00 0.00 C ATOM 0 H THR A 70 20.124 4.712 -13.676 1.00 0.00 H new ATOM 0 HA THR A 70 19.419 7.592 -13.714 1.00 0.00 H new ATOM 0 HB THR A 70 22.165 6.415 -13.610 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.051 6.777 -11.274 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.769 8.558 -12.525 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.061 8.784 -14.143 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.080 9.094 -12.690 1.00 0.00 H new ATOM 1070 N SER A 71 20.005 7.814 -16.134 1.00 0.00 N ATOM 1071 CA SER A 71 20.261 7.900 -17.569 1.00 0.00 C ATOM 1072 C SER A 71 20.289 9.346 -18.039 1.00 0.00 C ATOM 1073 O SER A 71 19.652 10.213 -17.443 1.00 0.00 O ATOM 1074 CB SER A 71 19.202 7.118 -18.346 1.00 0.00 C ATOM 1075 OG SER A 71 19.150 7.536 -19.700 1.00 0.00 O ATOM 0 H SER A 71 19.458 8.585 -15.751 1.00 0.00 H new ATOM 0 HA SER A 71 21.241 7.461 -17.760 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.426 6.052 -18.300 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.227 7.260 -17.881 1.00 0.00 H new ATOM 0 HG SER A 71 19.373 6.781 -20.284 1.00 0.00 H new ATOM 1081 N THR A 72 21.014 9.600 -19.125 1.00 0.00 N ATOM 1082 CA THR A 72 21.091 10.941 -19.681 1.00 0.00 C ATOM 1083 C THR A 72 20.039 11.090 -20.780 1.00 0.00 C ATOM 1084 O THR A 72 19.984 10.282 -21.707 1.00 0.00 O ATOM 1085 CB THR A 72 22.492 11.193 -20.244 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.485 10.714 -19.353 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.784 12.654 -20.512 1.00 0.00 C ATOM 0 H THR A 72 21.552 8.898 -19.632 1.00 0.00 H new ATOM 0 HA THR A 72 20.898 11.675 -18.898 1.00 0.00 H new ATOM 0 HB THR A 72 22.517 10.657 -21.193 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.373 10.883 -19.732 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.794 12.756 -20.909 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.068 13.041 -21.237 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.701 13.218 -19.583 1.00 0.00 H new ATOM 1095 N CYS A 73 19.187 12.106 -20.671 1.00 0.00 N ATOM 1096 CA CYS A 73 18.130 12.301 -21.659 1.00 0.00 C ATOM 1097 C CYS A 73 18.101 13.716 -22.220 1.00 0.00 C ATOM 1098 O CYS A 73 18.373 14.687 -21.516 1.00 0.00 O ATOM 1099 CB CYS A 73 16.769 11.975 -21.045 1.00 0.00 C ATOM 1100 SG CYS A 73 16.621 10.267 -20.430 1.00 0.00 S ATOM 0 H CYS A 73 19.206 12.797 -19.921 1.00 0.00 H new ATOM 0 HA CYS A 73 18.346 11.623 -22.485 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.579 12.664 -20.222 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.994 12.149 -21.792 1.00 0.00 H new ATOM 1105 N GLU A 74 17.714 13.816 -23.489 1.00 0.00 N ATOM 1106 CA GLU A 74 17.602 15.106 -24.165 1.00 0.00 C ATOM 1107 C GLU A 74 16.350 15.860 -23.713 1.00 0.00 C ATOM 1108 O GLU A 74 15.272 15.275 -23.602 1.00 0.00 O ATOM 1109 CB GLU A 74 17.574 14.913 -25.684 1.00 0.00 C ATOM 1110 CG GLU A 74 17.691 16.215 -26.463 1.00 0.00 C ATOM 1111 CD GLU A 74 16.773 16.263 -27.670 1.00 0.00 C ATOM 1112 OE1 GLU A 74 15.556 16.475 -27.483 1.00 0.00 O ATOM 1113 OE2 GLU A 74 17.272 16.091 -28.802 1.00 0.00 O ATOM 0 H GLU A 74 17.472 13.015 -24.072 1.00 0.00 H new ATOM 0 HA GLU A 74 18.476 15.700 -23.896 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.390 14.251 -25.973 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.645 14.415 -25.962 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.459 17.050 -25.802 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.722 16.345 -26.791 1.00 0.00 H new ATOM 1120 N ARG A 75 16.493 17.161 -23.468 1.00 0.00 N ATOM 1121 CA ARG A 75 15.368 17.989 -23.046 1.00 0.00 C ATOM 1122 C ARG A 75 14.686 18.614 -24.262 1.00 0.00 C ATOM 1123 O ARG A 75 15.345 18.959 -25.242 1.00 0.00 O ATOM 1124 CB ARG A 75 15.839 19.089 -22.090 1.00 0.00 C ATOM 1125 CG ARG A 75 16.666 18.576 -20.922 1.00 0.00 C ATOM 1126 CD ARG A 75 16.840 19.645 -19.852 1.00 0.00 C ATOM 1127 NE ARG A 75 15.701 19.697 -18.936 1.00 0.00 N ATOM 1128 CZ ARG A 75 15.583 20.579 -17.944 1.00 0.00 C ATOM 1129 NH1 ARG A 75 16.536 21.476 -17.722 1.00 0.00 N ATOM 1130 NH2 ARG A 75 14.507 20.562 -17.168 1.00 0.00 N ATOM 0 H ARG A 75 17.377 17.663 -23.555 1.00 0.00 H new ATOM 0 HA ARG A 75 14.652 17.355 -22.524 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.429 19.815 -22.649 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.968 19.617 -21.702 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.182 17.701 -20.489 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.644 18.255 -21.280 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.751 19.447 -19.287 1.00 0.00 H new ATOM 0 HD3 ARG A 75 16.966 20.617 -20.329 1.00 0.00 H new ATOM 0 HE ARG A 75 14.952 19.017 -19.064 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.367 21.494 -18.313 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.437 22.147 -16.960 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.771 19.874 -17.331 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.415 21.236 -16.408 1.00 0.00 H new ATOM 1144 N THR A 76 13.363 18.742 -24.203 1.00 0.00 N ATOM 1145 CA THR A 76 12.591 19.306 -25.310 1.00 0.00 C ATOM 1146 C THR A 76 13.141 20.660 -25.758 1.00 0.00 C ATOM 1147 O THR A 76 13.004 21.037 -26.922 1.00 0.00 O ATOM 1148 CB THR A 76 11.124 19.455 -24.901 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.661 18.281 -24.258 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.200 19.736 -26.066 1.00 0.00 C ATOM 0 H THR A 76 12.801 18.462 -23.399 1.00 0.00 H new ATOM 0 HA THR A 76 12.673 18.618 -26.152 1.00 0.00 H new ATOM 0 HB THR A 76 11.100 20.311 -24.227 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.722 18.397 -24.003 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.176 19.830 -25.704 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.500 20.664 -26.552 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.258 18.916 -26.782 1.00 0.00 H new ATOM 1158 N ASN A 77 13.758 21.387 -24.834 1.00 0.00 N ATOM 1159 CA ASN A 77 14.320 22.698 -25.148 1.00 0.00 C ATOM 1160 C ASN A 77 15.686 22.575 -25.823 1.00 0.00 C ATOM 1161 O ASN A 77 16.330 23.579 -26.124 1.00 0.00 O ATOM 1162 CB ASN A 77 14.444 23.537 -23.876 1.00 0.00 C ATOM 1163 CG ASN A 77 13.113 24.104 -23.422 1.00 0.00 C ATOM 1164 OD1 ASN A 77 12.488 24.896 -24.127 1.00 0.00 O ATOM 1165 ND2 ASN A 77 12.670 23.698 -22.237 1.00 0.00 N ATOM 0 H ASN A 77 13.882 21.094 -23.865 1.00 0.00 H new ATOM 0 HA ASN A 77 13.642 23.192 -25.844 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.864 22.923 -23.079 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.143 24.355 -24.051 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.780 24.044 -21.879 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.220 23.040 -21.685 1.00 0.00 H new ATOM 1172 N GLY A 78 16.123 21.342 -26.058 1.00 0.00 N ATOM 1173 CA GLY A 78 17.404 21.116 -26.693 1.00 0.00 C ATOM 1174 C GLY A 78 18.525 20.957 -25.695 1.00 0.00 C ATOM 1175 O GLY A 78 18.623 21.705 -24.723 1.00 0.00 O ATOM 0 H GLY A 78 15.609 20.494 -25.818 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.345 20.222 -27.314 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.629 21.951 -27.357 1.00 0.00 H new ATOM 1179 N GLY A 79 19.356 19.962 -25.933 1.00 0.00 N ATOM 1180 CA GLY A 79 20.467 19.680 -25.043 1.00 0.00 C ATOM 1181 C GLY A 79 20.344 18.308 -24.415 1.00 0.00 C ATOM 1182 O GLY A 79 19.517 17.505 -24.846 1.00 0.00 O ATOM 0 H GLY A 79 19.284 19.335 -26.734 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.403 19.744 -25.597 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.508 20.437 -24.260 1.00 0.00 H new ATOM 1186 N TYR A 80 21.173 18.029 -23.411 1.00 0.00 N ATOM 1187 CA TYR A 80 21.150 16.733 -22.735 1.00 0.00 C ATOM 1188 C TYR A 80 21.117 16.908 -21.215 1.00 0.00 C ATOM 1189 O TYR A 80 21.769 17.799 -20.669 1.00 0.00 O ATOM 1190 CB TYR A 80 22.377 15.908 -23.134 1.00 0.00 C ATOM 1191 CG TYR A 80 22.690 15.948 -24.616 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.696 15.743 -25.565 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.983 16.189 -25.063 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.982 15.777 -26.916 1.00 0.00 C ATOM 1195 CE2 TYR A 80 24.276 16.224 -26.413 1.00 0.00 C ATOM 1196 CZ TYR A 80 23.273 16.017 -27.334 1.00 0.00 C ATOM 1197 OH TYR A 80 23.563 16.050 -28.679 1.00 0.00 O ATOM 0 H TYR A 80 21.868 18.682 -23.048 1.00 0.00 H new ATOM 0 HA TYR A 80 20.246 16.208 -23.042 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.243 16.272 -22.580 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.219 14.872 -22.834 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.683 15.554 -25.241 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.772 16.352 -24.344 1.00 0.00 H new ATOM 0 HE1 TYR A 80 21.198 15.616 -27.641 1.00 0.00 H new ATOM 0 HE2 TYR A 80 25.286 16.413 -26.744 1.00 0.00 H new ATOM 0 HH TYR A 80 24.518 16.232 -28.803 1.00 0.00 H new ATOM 1207 N ASN A 81 20.347 16.056 -20.540 1.00 0.00 N ATOM 1208 CA ASN A 81 20.223 16.113 -19.085 1.00 0.00 C ATOM 1209 C ASN A 81 19.840 14.743 -18.522 1.00 0.00 C ATOM 1210 O ASN A 81 18.936 14.084 -19.033 1.00 0.00 O ATOM 1211 CB ASN A 81 19.185 17.165 -18.683 1.00 0.00 C ATOM 1212 CG ASN A 81 19.230 17.488 -17.202 1.00 0.00 C ATOM 1213 OD1 ASN A 81 19.884 18.443 -16.782 1.00 0.00 O ATOM 1214 ND2 ASN A 81 18.530 16.693 -16.402 1.00 0.00 N ATOM 0 H ASN A 81 19.799 15.316 -20.979 1.00 0.00 H new ATOM 0 HA ASN A 81 21.189 16.397 -18.667 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.355 18.077 -19.256 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.189 16.806 -18.943 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.520 16.862 -15.396 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.002 15.913 -16.793 1.00 0.00 H new ATOM 1221 N THR A 82 20.544 14.315 -17.476 1.00 0.00 N ATOM 1222 CA THR A 82 20.291 13.016 -16.848 1.00 0.00 C ATOM 1223 C THR A 82 19.342 13.137 -15.659 1.00 0.00 C ATOM 1224 O THR A 82 19.496 14.024 -14.818 1.00 0.00 O ATOM 1225 CB THR A 82 21.603 12.366 -16.406 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.352 11.238 -15.587 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.507 13.300 -15.635 1.00 0.00 C ATOM 0 H THR A 82 21.297 14.850 -17.043 1.00 0.00 H new ATOM 0 HA THR A 82 19.813 12.383 -17.596 1.00 0.00 H new ATOM 0 HB THR A 82 22.108 12.081 -17.329 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.670 10.674 -16.007 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.419 12.773 -15.353 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.761 14.157 -16.258 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.994 13.644 -14.737 1.00 0.00 H new ATOM 1235 N SER A 83 18.360 12.236 -15.588 1.00 0.00 N ATOM 1236 CA SER A 83 17.389 12.236 -14.499 1.00 0.00 C ATOM 1237 C SER A 83 17.418 10.900 -13.750 1.00 0.00 C ATOM 1238 O SER A 83 17.869 9.883 -14.285 1.00 0.00 O ATOM 1239 CB SER A 83 15.981 12.509 -15.037 1.00 0.00 C ATOM 1240 OG SER A 83 15.757 11.821 -16.255 1.00 0.00 O ATOM 0 H SER A 83 18.219 11.496 -16.276 1.00 0.00 H new ATOM 0 HA SER A 83 17.658 13.030 -13.802 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.240 12.199 -14.300 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.849 13.580 -15.191 1.00 0.00 H new ATOM 0 HG SER A 83 15.887 12.436 -17.007 1.00 0.00 H new ATOM 1246 N SER A 84 16.946 10.912 -12.507 1.00 0.00 N ATOM 1247 CA SER A 84 16.929 9.708 -11.687 1.00 0.00 C ATOM 1248 C SER A 84 15.511 9.355 -11.249 1.00 0.00 C ATOM 1249 O SER A 84 14.700 10.237 -10.965 1.00 0.00 O ATOM 1250 CB SER A 84 17.815 9.901 -10.454 1.00 0.00 C ATOM 1251 OG SER A 84 17.578 11.164 -9.852 1.00 0.00 O ATOM 0 H SER A 84 16.571 11.742 -12.047 1.00 0.00 H new ATOM 0 HA SER A 84 17.315 8.887 -12.291 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.619 9.108 -9.733 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.864 9.821 -10.739 1.00 0.00 H new ATOM 0 HG SER A 84 18.154 11.265 -9.065 1.00 0.00 H new ATOM 1257 N ILE A 85 15.221 8.056 -11.183 1.00 0.00 N ATOM 1258 CA ILE A 85 13.901 7.588 -10.768 1.00 0.00 C ATOM 1259 C ILE A 85 13.994 6.262 -10.005 1.00 0.00 C ATOM 1260 O ILE A 85 14.849 5.428 -10.301 1.00 0.00 O ATOM 1261 CB ILE A 85 12.956 7.440 -11.982 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.501 7.290 -11.517 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.380 6.277 -12.871 1.00 0.00 C ATOM 1264 CD1 ILE A 85 11.115 5.883 -11.107 1.00 0.00 C ATOM 0 H ILE A 85 15.880 7.312 -11.411 1.00 0.00 H new ATOM 0 HA ILE A 85 13.487 8.340 -10.097 1.00 0.00 H new ATOM 0 HB ILE A 85 13.025 8.348 -12.581 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.331 7.960 -10.674 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.840 7.615 -12.321 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.697 6.197 -13.717 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.392 6.449 -13.237 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.355 5.351 -12.296 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.071 5.869 -10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.249 5.208 -11.952 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.747 5.559 -10.280 1.00 0.00 H new ATOM 1276 N ASP A 86 13.113 6.083 -9.018 1.00 0.00 N ATOM 1277 CA ASP A 86 13.093 4.866 -8.196 1.00 0.00 C ATOM 1278 C ASP A 86 11.976 3.911 -8.636 1.00 0.00 C ATOM 1279 O ASP A 86 10.803 4.284 -8.645 1.00 0.00 O ATOM 1280 CB ASP A 86 12.904 5.242 -6.726 1.00 0.00 C ATOM 1281 CG ASP A 86 13.352 4.143 -5.785 1.00 0.00 C ATOM 1282 OD1 ASP A 86 13.352 2.967 -6.205 1.00 0.00 O ATOM 1283 OD2 ASP A 86 13.705 4.458 -4.629 1.00 0.00 O ATOM 0 H ASP A 86 12.400 6.768 -8.766 1.00 0.00 H new ATOM 0 HA ASP A 86 14.045 4.352 -8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.466 6.151 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.853 5.466 -6.544 1.00 0.00 H new ATOM 1288 N LEU A 87 12.347 2.684 -9.013 1.00 0.00 N ATOM 1289 CA LEU A 87 11.360 1.694 -9.477 1.00 0.00 C ATOM 1290 C LEU A 87 11.029 0.620 -8.431 1.00 0.00 C ATOM 1291 O LEU A 87 10.196 -0.249 -8.686 1.00 0.00 O ATOM 1292 CB LEU A 87 11.837 1.021 -10.765 1.00 0.00 C ATOM 1293 CG LEU A 87 12.520 1.949 -11.774 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.412 1.152 -12.715 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.480 2.734 -12.560 1.00 0.00 C ATOM 0 H LEU A 87 13.311 2.351 -9.008 1.00 0.00 H new ATOM 0 HA LEU A 87 10.443 2.253 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.531 0.223 -10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.980 0.552 -11.249 1.00 0.00 H new ATOM 0 HG LEU A 87 13.145 2.655 -11.227 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.889 1.828 -13.425 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.177 0.633 -12.138 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.810 0.423 -13.257 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.981 3.389 -13.273 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.831 2.042 -13.097 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.882 3.334 -11.874 1.00 0.00 H new ATOM 1307 N ASN A 88 11.684 0.649 -7.273 1.00 0.00 N ATOM 1308 CA ASN A 88 11.454 -0.362 -6.230 1.00 0.00 C ATOM 1309 C ASN A 88 9.962 -0.646 -6.009 1.00 0.00 C ATOM 1310 O ASN A 88 9.594 -1.741 -5.585 1.00 0.00 O ATOM 1311 CB ASN A 88 12.076 0.119 -4.916 1.00 0.00 C ATOM 1312 CG ASN A 88 11.968 -0.909 -3.806 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.437 -2.119 -4.077 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.472 -0.616 -2.719 1.00 0.00 N flip ATOM 0 H ASN A 88 12.377 1.356 -7.028 1.00 0.00 H new ATOM 0 HA ASN A 88 11.919 -1.290 -6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.126 0.359 -5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.585 1.040 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.124 0.329 -2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.409 -1.318 -1.981 1.00 0.00 H new ATOM 1321 N SER A 89 9.111 0.334 -6.290 1.00 0.00 N ATOM 1322 CA SER A 89 7.668 0.169 -6.107 1.00 0.00 C ATOM 1323 C SER A 89 7.001 -0.568 -7.272 1.00 0.00 C ATOM 1324 O SER A 89 6.073 -1.351 -7.067 1.00 0.00 O ATOM 1325 CB SER A 89 7.003 1.534 -5.929 1.00 0.00 C ATOM 1326 OG SER A 89 7.824 2.410 -5.177 1.00 0.00 O ATOM 0 H SER A 89 9.390 1.249 -6.644 1.00 0.00 H new ATOM 0 HA SER A 89 7.534 -0.440 -5.213 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.799 1.972 -6.906 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.043 1.411 -5.428 1.00 0.00 H new ATOM 0 HG SER A 89 7.375 3.276 -5.080 1.00 0.00 H new ATOM 1332 N VAL A 90 7.437 -0.277 -8.495 1.00 0.00 N ATOM 1333 CA VAL A 90 6.839 -0.882 -9.684 1.00 0.00 C ATOM 1334 C VAL A 90 7.248 -2.342 -9.908 1.00 0.00 C ATOM 1335 O VAL A 90 6.389 -3.205 -10.091 1.00 0.00 O ATOM 1336 CB VAL A 90 7.133 -0.048 -10.954 1.00 0.00 C ATOM 1337 CG1 VAL A 90 6.871 1.424 -10.689 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.560 -0.247 -11.440 1.00 0.00 C ATOM 0 H VAL A 90 8.200 0.372 -8.689 1.00 0.00 H new ATOM 0 HA VAL A 90 5.766 -0.882 -9.494 1.00 0.00 H new ATOM 0 HB VAL A 90 6.463 -0.397 -11.740 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.082 1.999 -11.591 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.828 1.563 -10.406 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.515 1.768 -9.880 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.727 0.355 -12.333 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.256 0.060 -10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.721 -1.299 -11.676 1.00 0.00 H new ATOM 1348 N ILE A 91 8.548 -2.620 -9.916 1.00 0.00 N ATOM 1349 CA ILE A 91 9.023 -3.981 -10.141 1.00 0.00 C ATOM 1350 C ILE A 91 8.935 -4.811 -8.858 1.00 0.00 C ATOM 1351 O ILE A 91 9.104 -4.290 -7.755 1.00 0.00 O ATOM 1352 CB ILE A 91 10.469 -3.981 -10.702 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.490 -3.341 -12.099 1.00 0.00 C ATOM 1354 CG2 ILE A 91 11.040 -5.393 -10.760 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.305 -2.066 -12.171 1.00 0.00 C ATOM 0 H ILE A 91 9.284 -1.929 -9.771 1.00 0.00 H new ATOM 0 HA ILE A 91 8.374 -4.442 -10.886 1.00 0.00 H new ATOM 0 HB ILE A 91 11.095 -3.395 -10.029 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.892 -4.060 -12.813 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.467 -3.126 -12.406 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.054 -5.359 -11.157 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.057 -5.820 -9.757 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.417 -6.011 -11.407 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.274 -1.671 -13.187 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.890 -1.330 -11.483 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.338 -2.278 -11.896 1.00 0.00 H new ATOM 1367 N GLU A 92 8.640 -6.102 -9.012 1.00 0.00 N ATOM 1368 CA GLU A 92 8.492 -7.003 -7.873 1.00 0.00 C ATOM 1369 C GLU A 92 9.185 -8.330 -8.154 1.00 0.00 C ATOM 1370 O GLU A 92 9.537 -8.618 -9.297 1.00 0.00 O ATOM 1371 CB GLU A 92 7.003 -7.254 -7.608 1.00 0.00 C ATOM 1372 CG GLU A 92 6.691 -7.674 -6.180 1.00 0.00 C ATOM 1373 CD GLU A 92 5.219 -7.538 -5.841 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.379 -7.791 -6.730 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.906 -7.180 -4.686 1.00 0.00 O ATOM 0 H GLU A 92 8.499 -6.547 -9.919 1.00 0.00 H new ATOM 0 HA GLU A 92 8.950 -6.542 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.445 -6.346 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.649 -8.028 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.000 -8.709 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.277 -7.066 -5.490 1.00 0.00 H new ATOM 1382 N ASN A 93 9.388 -9.145 -7.118 1.00 0.00 N ATOM 1383 CA ASN A 93 10.044 -10.434 -7.298 1.00 0.00 C ATOM 1384 C ASN A 93 9.025 -11.565 -7.205 1.00 0.00 C ATOM 1385 O ASN A 93 8.645 -11.991 -6.114 1.00 0.00 O ATOM 1386 CB ASN A 93 11.134 -10.617 -6.235 1.00 0.00 C ATOM 1387 CG ASN A 93 11.836 -11.959 -6.334 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.769 -12.635 -7.360 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.517 -12.348 -5.262 1.00 0.00 N ATOM 0 H ASN A 93 9.111 -8.937 -6.159 1.00 0.00 H new ATOM 0 HA ASN A 93 10.503 -10.460 -8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.870 -9.819 -6.336 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.689 -10.517 -5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 93 13.012 -13.240 -5.268 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.545 -11.755 -4.433 1.00 0.00 H new ATOM 1396 N VAL A 94 8.599 -12.050 -8.366 1.00 0.00 N ATOM 1397 CA VAL A 94 7.632 -13.139 -8.441 1.00 0.00 C ATOM 1398 C VAL A 94 8.327 -14.475 -8.677 1.00 0.00 C ATOM 1399 O VAL A 94 8.620 -14.837 -9.817 1.00 0.00 O ATOM 1400 CB VAL A 94 6.596 -12.896 -9.557 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.519 -13.970 -9.533 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.979 -11.513 -9.413 1.00 0.00 C ATOM 0 H VAL A 94 8.910 -11.704 -9.273 1.00 0.00 H new ATOM 0 HA VAL A 94 7.114 -13.171 -7.483 1.00 0.00 H new ATOM 0 HB VAL A 94 7.106 -12.949 -10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.798 -13.780 -10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.977 -14.948 -9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.009 -13.953 -8.570 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.250 -11.355 -10.208 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.484 -11.434 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.761 -10.757 -9.483 1.00 0.00 H new ATOM 1412 N ASP A 95 8.588 -15.211 -7.600 1.00 0.00 N ATOM 1413 CA ASP A 95 9.245 -16.511 -7.700 1.00 0.00 C ATOM 1414 C ASP A 95 10.576 -16.411 -8.438 1.00 0.00 C ATOM 1415 O ASP A 95 10.988 -17.350 -9.117 1.00 0.00 O ATOM 1416 CB ASP A 95 8.335 -17.513 -8.408 1.00 0.00 C ATOM 1417 CG ASP A 95 8.723 -18.948 -8.115 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.311 -19.196 -7.039 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.441 -19.824 -8.959 1.00 0.00 O ATOM 0 H ASP A 95 8.355 -14.929 -6.648 1.00 0.00 H new ATOM 0 HA ASP A 95 9.445 -16.857 -6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.304 -17.347 -8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.375 -17.340 -9.483 1.00 0.00 H new ATOM 1424 N GLY A 96 11.246 -15.272 -8.298 1.00 0.00 N ATOM 1425 CA GLY A 96 12.532 -15.080 -8.952 1.00 0.00 C ATOM 1426 C GLY A 96 12.417 -14.415 -10.310 1.00 0.00 C ATOM 1427 O GLY A 96 13.257 -14.630 -11.185 1.00 0.00 O ATOM 0 H GLY A 96 10.924 -14.478 -7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.172 -14.474 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.021 -16.047 -9.068 1.00 0.00 H new ATOM 1431 N SER A 97 11.380 -13.604 -10.489 1.00 0.00 N ATOM 1432 CA SER A 97 11.169 -12.906 -11.751 1.00 0.00 C ATOM 1433 C SER A 97 10.679 -11.481 -11.507 1.00 0.00 C ATOM 1434 O SER A 97 9.800 -11.251 -10.676 1.00 0.00 O ATOM 1435 CB SER A 97 10.164 -13.666 -12.618 1.00 0.00 C ATOM 1436 OG SER A 97 10.676 -14.932 -13.000 1.00 0.00 O ATOM 0 H SER A 97 10.674 -13.414 -9.778 1.00 0.00 H new ATOM 0 HA SER A 97 12.123 -12.858 -12.276 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.232 -13.798 -12.069 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.930 -13.081 -13.508 1.00 0.00 H new ATOM 0 HG SER A 97 10.015 -15.399 -13.552 1.00 0.00 H new ATOM 1442 N LEU A 98 11.259 -10.525 -12.230 1.00 0.00 N ATOM 1443 CA LEU A 98 10.883 -9.122 -12.083 1.00 0.00 C ATOM 1444 C LEU A 98 9.522 -8.851 -12.710 1.00 0.00 C ATOM 1445 O LEU A 98 9.319 -9.087 -13.900 1.00 0.00 O ATOM 1446 CB LEU A 98 11.931 -8.210 -12.729 1.00 0.00 C ATOM 1447 CG LEU A 98 13.362 -8.400 -12.232 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.290 -7.406 -12.912 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.425 -8.247 -10.720 1.00 0.00 C ATOM 0 H LEU A 98 11.989 -10.696 -12.921 1.00 0.00 H new ATOM 0 HA LEU A 98 10.828 -8.907 -11.016 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.914 -8.373 -13.807 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.640 -7.173 -12.559 1.00 0.00 H new ATOM 0 HG LEU A 98 13.690 -9.408 -12.486 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.308 -7.551 -12.549 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.263 -7.562 -13.990 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.965 -6.391 -12.684 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.452 -8.386 -10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.083 -7.251 -10.441 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.785 -8.995 -10.252 1.00 0.00 H new ATOM 1461 N LYS A 99 8.587 -8.367 -11.898 1.00 0.00 N ATOM 1462 CA LYS A 99 7.239 -8.074 -12.372 1.00 0.00 C ATOM 1463 C LYS A 99 6.843 -6.631 -12.079 1.00 0.00 C ATOM 1464 O LYS A 99 6.915 -6.172 -10.941 1.00 0.00 O ATOM 1465 CB LYS A 99 6.240 -9.035 -11.725 1.00 0.00 C ATOM 1466 CG LYS A 99 6.180 -10.394 -12.403 1.00 0.00 C ATOM 1467 CD LYS A 99 4.746 -10.870 -12.575 1.00 0.00 C ATOM 1468 CE LYS A 99 4.666 -12.387 -12.653 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.258 -12.871 -12.640 1.00 0.00 N ATOM 0 H LYS A 99 8.738 -8.170 -10.909 1.00 0.00 H new ATOM 0 HA LYS A 99 7.226 -8.209 -13.454 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.506 -9.172 -10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.248 -8.583 -11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.665 -10.337 -13.378 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.737 -11.121 -11.812 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.142 -10.516 -11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.324 -10.436 -13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.159 -12.730 -13.562 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.207 -12.823 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.247 -13.910 -12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.794 -12.566 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.748 -12.476 -13.456 1.00 0.00 H new ATOM 1483 N TYR A 100 6.420 -5.925 -13.126 1.00 0.00 N ATOM 1484 CA TYR A 100 6.003 -4.532 -13.004 1.00 0.00 C ATOM 1485 C TYR A 100 4.605 -4.440 -12.398 1.00 0.00 C ATOM 1486 O TYR A 100 3.779 -5.334 -12.580 1.00 0.00 O ATOM 1487 CB TYR A 100 6.026 -3.856 -14.379 1.00 0.00 C ATOM 1488 CG TYR A 100 5.615 -2.401 -14.353 1.00 0.00 C ATOM 1489 CD1 TYR A 100 4.279 -2.035 -14.457 1.00 0.00 C ATOM 1490 CD2 TYR A 100 6.563 -1.394 -14.225 1.00 0.00 C ATOM 1491 CE1 TYR A 100 3.900 -0.706 -14.435 1.00 0.00 C ATOM 1492 CE2 TYR A 100 6.192 -0.063 -14.201 1.00 0.00 C ATOM 1493 CZ TYR A 100 4.859 0.276 -14.306 1.00 0.00 C ATOM 1494 OH TYR A 100 4.485 1.599 -14.281 1.00 0.00 O ATOM 0 H TYR A 100 6.357 -6.299 -14.073 1.00 0.00 H new ATOM 0 HA TYR A 100 6.700 -4.018 -12.342 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.031 -3.932 -14.794 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.362 -4.399 -15.051 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.524 -2.801 -14.557 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.608 -1.656 -14.143 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.857 -0.438 -14.519 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.942 0.708 -14.101 1.00 0.00 H new ATOM 0 HH TYR A 100 5.271 2.164 -14.436 1.00 0.00 H new