USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 739 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 80 HIS : no HE2:sc= -1.66 K(o=-1.8,f=-3.5!) USER MOD Set 1.2: A 87 GLN : amide:sc= -0.147 X(o=-1.8,f=-1.5) USER MOD Set 2.1: A 62 THR OG1 : rot 179:sc= 0.0318 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 168:sc= 0.0336 (180deg=0) USER MOD Set 3.1: A 48 MET CE :methyl -170:sc= -0.513 (180deg=-0.908) USER MOD Set 3.2: A 51 GLN : amide:sc= -0.271 K(o=-0.78,f=-9.9!) USER MOD Set 4.1: A 10 LYS NZ :NH3+ -156:sc= 0.374 (180deg=0) USER MOD Set 4.2: A 12 GLN : amide:sc= -2.99 K(o=-2.6,f=-8.1!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.89 F(o=-2.4,f=-0.89) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= 2.29 (180deg=1.39) USER MOD Single : A 31 TYR OH : rot -154:sc= 1.33 USER MOD Single : A 44 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-7.6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.019) USER MOD Single : A 50 MET CE :methyl -147:sc= -0.746 (180deg=-4.25!) USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 1.09 (180deg=0.741) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= 0.692 (180deg=0.554) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.234 (180deg=-0.57) USER MOD Single : A 75 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.43) USER MOD Single : A 78 GLN : amide:sc= -0.0374 K(o=-0.037,f=-0.96) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00206) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.792 20.827 12.931 1.00 0.00 N ATOM 21 CA PHE A 2 -29.962 19.792 12.320 1.00 0.00 C ATOM 22 C PHE A 2 -29.717 18.654 13.323 1.00 0.00 C ATOM 23 O PHE A 2 -30.264 17.570 13.148 1.00 0.00 O ATOM 24 CB PHE A 2 -28.655 20.409 11.778 1.00 0.00 C ATOM 25 CG PHE A 2 -28.820 21.789 11.163 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.320 21.945 9.855 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.527 22.929 11.937 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.529 23.235 9.333 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.726 24.216 11.411 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.233 24.369 10.111 1.00 0.00 C ATOM 0 HA PHE A 2 -30.481 19.356 11.466 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -27.932 20.471 12.592 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.234 19.738 11.029 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.543 21.076 9.254 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.147 22.813 12.941 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -29.918 23.355 8.332 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.489 25.086 12.005 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.396 25.358 9.708 1.00 0.00 H new ATOM 40 N THR A 3 -28.948 18.938 14.385 1.00 0.00 N ATOM 41 CA THR A 3 -28.620 18.074 15.521 1.00 0.00 C ATOM 42 C THR A 3 -28.015 16.708 15.135 1.00 0.00 C ATOM 43 O THR A 3 -28.722 15.777 14.747 1.00 0.00 O ATOM 44 CB THR A 3 -29.845 17.892 16.419 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.498 19.122 16.681 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.473 17.255 17.766 1.00 0.00 C ATOM 0 H THR A 3 -28.505 19.853 14.475 1.00 0.00 H new ATOM 0 HA THR A 3 -27.831 18.590 16.068 1.00 0.00 H new ATOM 0 HB THR A 3 -30.517 17.232 15.871 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.276 18.964 17.256 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.370 17.142 18.375 1.00 0.00 H new ATOM 0 HG22 THR A 3 -29.026 16.276 17.594 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.759 17.894 18.286 1.00 0.00 H new ATOM 54 N ILE A 4 -26.693 16.567 15.292 1.00 0.00 N ATOM 55 CA ILE A 4 -25.938 15.435 14.774 1.00 0.00 C ATOM 56 C ILE A 4 -25.591 14.506 15.935 1.00 0.00 C ATOM 57 O ILE A 4 -24.542 14.628 16.558 1.00 0.00 O ATOM 58 CB ILE A 4 -24.702 15.866 13.947 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.620 17.338 13.514 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.579 14.939 12.735 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.780 17.878 12.669 1.00 0.00 C ATOM 0 H ILE A 4 -26.117 17.247 15.789 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.557 14.888 14.063 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.859 15.772 14.631 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.540 17.952 14.411 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.697 17.475 12.950 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.712 15.229 12.141 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.458 13.910 13.075 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.479 15.016 12.125 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.600 18.926 12.431 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.855 17.304 11.745 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.711 17.788 13.229 1.00 0.00 H new ATOM 73 N ASN A 5 -26.513 13.599 16.262 1.00 0.00 N ATOM 74 CA ASN A 5 -26.392 12.727 17.415 1.00 0.00 C ATOM 75 C ASN A 5 -25.139 11.861 17.256 1.00 0.00 C ATOM 76 O ASN A 5 -25.022 11.128 16.271 1.00 0.00 O ATOM 77 CB ASN A 5 -27.672 11.900 17.613 1.00 0.00 C ATOM 78 CG ASN A 5 -28.856 12.706 18.158 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.168 13.866 17.577 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.490 12.293 19.122 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.368 13.454 15.726 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.276 13.319 18.323 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.956 11.456 16.659 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.459 11.078 18.297 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.239 11.404 19.555 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -30.269 12.838 19.492 1.00 0.00 H new ATOM 87 N ALA A 6 -24.203 11.997 18.206 1.00 0.00 N ATOM 88 CA ALA A 6 -22.924 11.305 18.235 1.00 0.00 C ATOM 89 C ALA A 6 -22.812 10.554 19.573 1.00 0.00 C ATOM 90 O ALA A 6 -23.804 10.319 20.264 1.00 0.00 O ATOM 91 CB ALA A 6 -21.763 12.303 17.980 1.00 0.00 C ATOM 0 H ALA A 6 -24.330 12.620 19.004 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.856 10.568 17.434 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.813 11.770 18.005 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.892 12.769 17.003 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.768 13.072 18.753 1.00 0.00 H new ATOM 97 N GLU A 7 -21.591 10.172 19.938 1.00 0.00 N ATOM 98 CA GLU A 7 -21.174 9.657 21.235 1.00 0.00 C ATOM 99 C GLU A 7 -19.672 9.944 21.319 1.00 0.00 C ATOM 100 O GLU A 7 -18.971 9.833 20.318 1.00 0.00 O ATOM 101 CB GLU A 7 -21.506 8.154 21.358 1.00 0.00 C ATOM 102 CG GLU A 7 -20.756 7.297 20.328 1.00 0.00 C ATOM 103 CD GLU A 7 -21.310 5.881 20.167 1.00 0.00 C ATOM 104 OE1 GLU A 7 -22.224 5.717 19.324 1.00 0.00 O ATOM 105 OE2 GLU A 7 -20.781 4.974 20.847 1.00 0.00 O ATOM 0 H GLU A 7 -20.810 10.219 19.284 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.700 10.131 22.064 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.255 7.811 22.362 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.579 8.011 21.231 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.789 7.800 19.361 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.708 7.234 20.619 1.00 0.00 H new ATOM 112 N VAL A 8 -19.164 10.346 22.483 1.00 0.00 N ATOM 113 CA VAL A 8 -17.746 10.669 22.659 1.00 0.00 C ATOM 114 C VAL A 8 -16.863 9.437 22.454 1.00 0.00 C ATOM 115 O VAL A 8 -17.222 8.336 22.873 1.00 0.00 O ATOM 116 CB VAL A 8 -17.509 11.280 24.050 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.942 12.742 24.029 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.250 10.546 25.172 1.00 0.00 C ATOM 0 H VAL A 8 -19.721 10.457 23.330 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.470 11.402 21.901 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.445 11.185 24.265 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.778 13.184 25.012 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.358 13.284 23.285 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -19.000 12.804 23.775 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.038 11.030 26.125 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.323 10.576 24.980 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.917 9.509 25.210 1.00 0.00 H new ATOM 128 N ARG A 9 -15.693 9.640 21.828 1.00 0.00 N ATOM 129 CA ARG A 9 -14.735 8.551 21.600 1.00 0.00 C ATOM 130 C ARG A 9 -13.284 8.989 21.687 1.00 0.00 C ATOM 131 O ARG A 9 -12.960 10.133 21.391 1.00 0.00 O ATOM 132 CB ARG A 9 -15.034 7.801 20.295 1.00 0.00 C ATOM 133 CG ARG A 9 -15.559 8.612 19.106 1.00 0.00 C ATOM 134 CD ARG A 9 -14.554 9.552 18.447 1.00 0.00 C ATOM 135 NE ARG A 9 -13.514 8.787 17.766 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.857 9.099 16.640 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.981 10.281 16.028 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.041 8.186 16.124 1.00 0.00 N ATOM 0 H ARG A 9 -15.390 10.547 21.472 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.875 7.851 22.424 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.119 7.300 19.980 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.764 7.022 20.517 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.927 7.917 18.351 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.413 9.201 19.441 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.065 10.199 17.734 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.104 10.200 19.200 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.254 7.902 18.202 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.598 10.994 16.417 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.459 10.470 15.172 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.931 7.282 16.584 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.525 8.389 15.268 1.00 0.00 H new ATOM 152 N LYS A 10 -12.414 8.045 22.069 1.00 0.00 N ATOM 153 CA LYS A 10 -10.975 8.218 22.250 1.00 0.00 C ATOM 154 C LYS A 10 -10.132 7.102 21.602 1.00 0.00 C ATOM 155 O LYS A 10 -8.909 7.193 21.576 1.00 0.00 O ATOM 156 CB LYS A 10 -10.652 8.416 23.734 1.00 0.00 C ATOM 157 CG LYS A 10 -11.026 9.819 24.252 1.00 0.00 C ATOM 158 CD LYS A 10 -10.137 10.966 23.720 1.00 0.00 C ATOM 159 CE LYS A 10 -10.724 11.717 22.510 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.744 12.664 21.938 1.00 0.00 N ATOM 0 H LYS A 10 -12.715 7.091 22.270 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.687 9.121 21.712 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.184 7.666 24.319 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.587 8.248 23.893 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.062 10.026 23.982 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.975 9.814 25.341 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.964 11.679 24.526 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.165 10.557 23.442 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.028 11.000 21.747 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.620 12.258 22.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.247 13.417 21.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.179 13.083 22.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.116 12.159 21.281 1.00 0.00 H new ATOM 174 N GLU A 11 -10.781 6.088 21.021 1.00 0.00 N ATOM 175 CA GLU A 11 -10.180 4.953 20.302 1.00 0.00 C ATOM 176 C GLU A 11 -9.598 5.301 18.909 1.00 0.00 C ATOM 177 O GLU A 11 -9.310 4.402 18.120 1.00 0.00 O ATOM 178 CB GLU A 11 -11.158 3.745 20.251 1.00 0.00 C ATOM 179 CG GLU A 11 -12.676 4.012 20.301 1.00 0.00 C ATOM 180 CD GLU A 11 -13.213 4.240 21.715 1.00 0.00 C ATOM 181 OE1 GLU A 11 -13.455 3.235 22.416 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.405 5.428 22.060 1.00 0.00 O ATOM 0 H GLU A 11 -11.799 6.031 21.039 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.307 4.664 20.887 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.951 3.192 19.335 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.912 3.086 21.084 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.903 4.886 19.690 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.200 3.167 19.855 1.00 0.00 H new ATOM 189 N GLN A 12 -9.426 6.589 18.585 1.00 0.00 N ATOM 190 CA GLN A 12 -9.028 7.094 17.262 1.00 0.00 C ATOM 191 C GLN A 12 -7.815 6.412 16.621 1.00 0.00 C ATOM 192 O GLN A 12 -7.803 6.281 15.400 1.00 0.00 O ATOM 193 CB GLN A 12 -8.784 8.610 17.278 1.00 0.00 C ATOM 194 CG GLN A 12 -8.211 9.219 18.557 1.00 0.00 C ATOM 195 CD GLN A 12 -9.253 9.693 19.579 1.00 0.00 C ATOM 196 OE1 GLN A 12 -8.876 10.217 20.619 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.565 9.534 19.353 1.00 0.00 N ATOM 0 H GLN A 12 -9.565 7.338 19.263 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.888 6.843 16.641 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.107 8.850 16.458 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.731 9.105 17.065 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.567 8.481 19.035 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.580 10.065 18.286 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.884 9.098 18.488 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.244 9.849 20.046 1.00 0.00 H new ATOM 206 N GLY A 13 -6.847 5.963 17.429 1.00 0.00 N ATOM 207 CA GLY A 13 -5.605 5.291 17.033 1.00 0.00 C ATOM 208 C GLY A 13 -5.703 4.094 16.065 1.00 0.00 C ATOM 209 O GLY A 13 -4.651 3.620 15.641 1.00 0.00 O ATOM 0 H GLY A 13 -6.915 6.066 18.441 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.954 6.036 16.577 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.109 4.946 17.940 1.00 0.00 H new ATOM 213 N LYS A 14 -6.926 3.653 15.716 1.00 0.00 N ATOM 214 CA LYS A 14 -7.427 2.743 14.667 1.00 0.00 C ATOM 215 C LYS A 14 -8.610 1.920 15.177 1.00 0.00 C ATOM 216 O LYS A 14 -9.458 1.554 14.364 1.00 0.00 O ATOM 217 CB LYS A 14 -6.388 1.798 14.026 1.00 0.00 C ATOM 218 CG LYS A 14 -5.895 2.198 12.632 1.00 0.00 C ATOM 219 CD LYS A 14 -6.912 1.894 11.521 1.00 0.00 C ATOM 220 CE LYS A 14 -6.445 2.305 10.117 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.244 1.584 9.650 1.00 0.00 N ATOM 0 H LYS A 14 -7.721 3.987 16.261 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.730 3.421 13.869 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.526 1.731 14.690 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.821 0.800 13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.668 3.264 12.626 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.964 1.672 12.418 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.128 0.826 11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.846 2.408 11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.257 2.134 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.239 3.375 10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.989 1.914 8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.454 1.766 10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.441 0.563 9.622 1.00 0.00 H new ATOM 235 N GLY A 15 -8.698 1.654 16.489 1.00 0.00 N ATOM 236 CA GLY A 15 -9.790 0.900 17.105 1.00 0.00 C ATOM 237 C GLY A 15 -11.167 1.498 16.792 1.00 0.00 C ATOM 238 O GLY A 15 -12.117 0.768 16.506 1.00 0.00 O ATOM 0 H GLY A 15 -7.996 1.965 17.161 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.758 -0.132 16.755 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.646 0.875 18.185 1.00 0.00 H new ATOM 242 N ALA A 16 -11.270 2.832 16.798 1.00 0.00 N ATOM 243 CA ALA A 16 -12.459 3.561 16.392 1.00 0.00 C ATOM 244 C ALA A 16 -12.677 3.411 14.894 1.00 0.00 C ATOM 245 O ALA A 16 -13.768 3.100 14.432 1.00 0.00 O ATOM 246 CB ALA A 16 -12.324 5.039 16.739 1.00 0.00 C ATOM 0 H ALA A 16 -10.507 3.441 17.093 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.314 3.148 16.927 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.224 5.570 16.428 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.192 5.149 17.815 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.460 5.457 16.223 1.00 0.00 H new ATOM 252 N SER A 17 -11.621 3.614 14.118 1.00 0.00 N ATOM 253 CA SER A 17 -11.719 3.654 12.667 1.00 0.00 C ATOM 254 C SER A 17 -12.255 2.328 12.100 1.00 0.00 C ATOM 255 O SER A 17 -12.907 2.346 11.057 1.00 0.00 O ATOM 256 CB SER A 17 -10.357 4.044 12.093 1.00 0.00 C ATOM 257 OG SER A 17 -9.935 5.255 12.689 1.00 0.00 O ATOM 0 H SER A 17 -10.676 3.755 14.476 1.00 0.00 H new ATOM 0 HA SER A 17 -12.445 4.409 12.365 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.628 3.256 12.285 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.424 4.160 11.011 1.00 0.00 H new ATOM 0 HG SER A 17 -9.061 5.511 12.327 1.00 0.00 H new ATOM 263 N ARG A 18 -12.086 1.208 12.828 1.00 0.00 N ATOM 264 CA ARG A 18 -12.568 -0.114 12.455 1.00 0.00 C ATOM 265 C ARG A 18 -13.938 -0.463 13.042 1.00 0.00 C ATOM 266 O ARG A 18 -14.591 -1.304 12.436 1.00 0.00 O ATOM 267 CB ARG A 18 -11.511 -1.206 12.720 1.00 0.00 C ATOM 268 CG ARG A 18 -11.099 -1.506 14.175 1.00 0.00 C ATOM 269 CD ARG A 18 -12.154 -2.125 15.111 1.00 0.00 C ATOM 270 NE ARG A 18 -12.813 -3.325 14.565 1.00 0.00 N ATOM 271 CZ ARG A 18 -12.351 -4.583 14.675 1.00 0.00 C ATOM 272 NH1 ARG A 18 -11.161 -4.842 15.214 1.00 0.00 N ATOM 273 NH2 ARG A 18 -13.091 -5.612 14.255 1.00 0.00 N ATOM 0 H ARG A 18 -11.592 1.210 13.720 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.729 -0.077 11.378 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.880 -2.134 12.284 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.610 -0.932 12.172 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.241 -2.178 14.148 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.759 -0.573 14.625 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.678 -2.384 16.057 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.914 -1.375 15.331 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.691 -3.190 14.063 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.578 -4.077 15.555 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.833 -5.805 15.286 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.012 -5.446 13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.736 -6.564 14.341 1.00 0.00 H new ATOM 287 N ARG A 19 -14.397 0.136 14.157 1.00 0.00 N ATOM 288 CA ARG A 19 -15.740 -0.117 14.709 1.00 0.00 C ATOM 289 C ARG A 19 -16.765 0.767 13.999 1.00 0.00 C ATOM 290 O ARG A 19 -17.860 0.320 13.667 1.00 0.00 O ATOM 291 CB ARG A 19 -15.798 0.094 16.239 1.00 0.00 C ATOM 292 CG ARG A 19 -15.717 1.570 16.646 1.00 0.00 C ATOM 293 CD ARG A 19 -15.474 1.815 18.121 1.00 0.00 C ATOM 294 NE ARG A 19 -16.635 2.419 18.784 1.00 0.00 N ATOM 295 CZ ARG A 19 -16.723 2.741 20.083 1.00 0.00 C ATOM 296 NH1 ARG A 19 -15.812 2.307 20.959 1.00 0.00 N ATOM 297 NH2 ARG A 19 -17.724 3.525 20.491 1.00 0.00 N ATOM 0 H ARG A 19 -13.850 0.806 14.698 1.00 0.00 H new ATOM 0 HA ARG A 19 -15.980 -1.165 14.531 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.724 -0.332 16.624 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.978 -0.451 16.706 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.917 2.045 16.078 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.647 2.062 16.360 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.230 0.871 18.608 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.610 2.468 18.241 1.00 0.00 H new ATOM 0 HE ARG A 19 -17.451 2.612 18.203 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.038 1.723 20.643 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.891 2.559 21.944 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -18.408 3.870 19.818 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.804 3.779 21.476 1.00 0.00 H new ATOM 311 N LEU A 20 -16.385 2.026 13.759 1.00 0.00 N ATOM 312 CA LEU A 20 -17.206 2.994 13.064 1.00 0.00 C ATOM 313 C LEU A 20 -17.473 2.516 11.645 1.00 0.00 C ATOM 314 O LEU A 20 -18.642 2.327 11.307 1.00 0.00 O ATOM 315 CB LEU A 20 -16.581 4.394 13.121 1.00 0.00 C ATOM 316 CG LEU A 20 -16.877 5.061 14.482 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.720 5.066 15.463 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.212 6.531 14.298 1.00 0.00 C ATOM 0 H LEU A 20 -15.481 2.397 14.052 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.170 3.079 13.565 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.504 4.325 12.969 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.978 5.009 12.313 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.695 4.460 14.879 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.028 5.556 16.387 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.421 4.040 15.679 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.878 5.606 15.030 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.417 6.982 15.269 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.369 7.041 13.832 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.091 6.627 13.661 1.00 0.00 H new ATOM 330 N ARG A 21 -16.427 2.234 10.846 1.00 0.00 N ATOM 331 CA ARG A 21 -16.647 1.647 9.524 1.00 0.00 C ATOM 332 C ARG A 21 -17.358 0.300 9.601 1.00 0.00 C ATOM 333 O ARG A 21 -18.070 -0.045 8.657 1.00 0.00 O ATOM 334 CB ARG A 21 -15.337 1.560 8.713 1.00 0.00 C ATOM 335 CG ARG A 21 -14.379 0.459 9.202 1.00 0.00 C ATOM 336 CD ARG A 21 -14.596 -0.927 8.577 1.00 0.00 C ATOM 337 NE ARG A 21 -14.289 -1.993 9.546 1.00 0.00 N ATOM 338 CZ ARG A 21 -14.104 -3.293 9.273 1.00 0.00 C ATOM 339 NH1 ARG A 21 -14.180 -3.755 8.019 1.00 0.00 N ATOM 340 NH2 ARG A 21 -13.844 -4.138 10.275 1.00 0.00 N ATOM 0 H ARG A 21 -15.450 2.400 11.089 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.315 2.321 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.580 1.379 7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.826 2.522 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.356 0.775 8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.476 0.370 10.284 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.629 -1.021 8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.963 -1.037 7.696 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.209 -1.714 10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.382 -3.115 7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.036 -4.747 7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.788 -3.792 11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.701 -5.129 10.082 1.00 0.00 H new ATOM 354 N ALA A 22 -17.200 -0.440 10.709 1.00 0.00 N ATOM 355 CA ALA A 22 -17.882 -1.728 10.842 1.00 0.00 C ATOM 356 C ALA A 22 -19.402 -1.604 11.015 1.00 0.00 C ATOM 357 O ALA A 22 -20.102 -2.595 10.810 1.00 0.00 O ATOM 358 CB ALA A 22 -17.285 -2.519 11.995 1.00 0.00 C ATOM 0 H ALA A 22 -16.620 -0.174 11.505 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.724 -2.258 9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.800 -3.476 12.085 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.226 -2.693 11.807 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.401 -1.956 12.921 1.00 0.00 H new ATOM 364 N ALA A 23 -19.917 -0.411 11.345 1.00 0.00 N ATOM 365 CA ALA A 23 -21.342 -0.150 11.517 1.00 0.00 C ATOM 366 C ALA A 23 -21.838 1.029 10.692 1.00 0.00 C ATOM 367 O ALA A 23 -22.925 1.536 10.976 1.00 0.00 O ATOM 368 CB ALA A 23 -21.646 0.114 12.986 1.00 0.00 C ATOM 0 H ALA A 23 -19.337 0.413 11.502 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.864 -1.040 11.165 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.712 0.308 13.108 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.366 -0.757 13.578 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.078 0.980 13.325 1.00 0.00 H new ATOM 374 N ASN A 24 -21.068 1.475 9.686 1.00 0.00 N ATOM 375 CA ASN A 24 -21.453 2.597 8.833 1.00 0.00 C ATOM 376 C ASN A 24 -21.579 3.926 9.605 1.00 0.00 C ATOM 377 O ASN A 24 -22.107 4.910 9.082 1.00 0.00 O ATOM 378 CB ASN A 24 -22.721 2.206 8.051 1.00 0.00 C ATOM 379 CG ASN A 24 -22.380 1.689 6.658 1.00 0.00 C ATOM 380 OD1 ASN A 24 -22.559 2.383 5.662 1.00 0.00 O ATOM 381 ND2 ASN A 24 -21.866 0.462 6.589 1.00 0.00 N ATOM 0 H ASN A 24 -20.165 1.065 9.447 1.00 0.00 H new ATOM 0 HA ASN A 24 -20.656 2.796 8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.267 1.440 8.601 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.380 3.070 7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.606 0.068 5.685 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -21.733 -0.084 7.440 1.00 0.00 H new ATOM 388 N LYS A 25 -21.047 3.971 10.834 1.00 0.00 N ATOM 389 CA LYS A 25 -20.753 5.198 11.545 1.00 0.00 C ATOM 390 C LYS A 25 -19.378 5.656 11.037 1.00 0.00 C ATOM 391 O LYS A 25 -18.754 5.027 10.179 1.00 0.00 O ATOM 392 CB LYS A 25 -20.844 4.962 13.070 1.00 0.00 C ATOM 393 CG LYS A 25 -22.267 4.552 13.528 1.00 0.00 C ATOM 394 CD LYS A 25 -23.123 5.605 14.242 1.00 0.00 C ATOM 395 CE LYS A 25 -22.623 6.099 15.604 1.00 0.00 C ATOM 396 NZ LYS A 25 -22.531 5.024 16.613 1.00 0.00 N ATOM 0 H LYS A 25 -20.808 3.132 11.363 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.473 5.995 11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.136 4.184 13.356 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.546 5.871 13.593 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.817 4.214 12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.170 3.694 14.193 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.219 6.468 13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -24.124 5.194 14.377 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.642 6.557 15.480 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.294 6.876 15.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.574 5.438 17.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.322 4.361 16.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.631 4.515 16.497 1.00 0.00 H new ATOM 410 N PHE A 26 -18.937 6.814 11.508 1.00 0.00 N ATOM 411 CA PHE A 26 -17.920 7.610 10.856 1.00 0.00 C ATOM 412 C PHE A 26 -17.395 8.648 11.856 1.00 0.00 C ATOM 413 O PHE A 26 -18.210 9.299 12.512 1.00 0.00 O ATOM 414 CB PHE A 26 -18.635 8.236 9.659 1.00 0.00 C ATOM 415 CG PHE A 26 -18.036 9.466 9.051 1.00 0.00 C ATOM 416 CD1 PHE A 26 -18.355 10.727 9.584 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.255 9.351 7.892 1.00 0.00 C ATOM 418 CE1 PHE A 26 -17.889 11.885 8.951 1.00 0.00 C ATOM 419 CE2 PHE A 26 -16.821 10.510 7.245 1.00 0.00 C ATOM 420 CZ PHE A 26 -17.151 11.771 7.765 1.00 0.00 C ATOM 0 H PHE A 26 -19.286 7.230 12.371 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.049 7.047 10.520 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -18.707 7.478 8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -19.653 8.476 9.965 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -18.957 10.802 10.478 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.992 8.378 7.504 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.096 12.857 9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.231 10.436 6.344 1.00 0.00 H new ATOM 0 HZ PHE A 26 -16.833 12.663 7.246 1.00 0.00 H new ATOM 430 N PRO A 27 -16.067 8.783 12.041 1.00 0.00 N ATOM 431 CA PRO A 27 -15.522 9.676 13.058 1.00 0.00 C ATOM 432 C PRO A 27 -15.711 11.159 12.718 1.00 0.00 C ATOM 433 O PRO A 27 -15.817 11.539 11.551 1.00 0.00 O ATOM 434 CB PRO A 27 -14.038 9.305 13.167 1.00 0.00 C ATOM 435 CG PRO A 27 -13.711 8.627 11.839 1.00 0.00 C ATOM 436 CD PRO A 27 -15.016 7.901 11.539 1.00 0.00 C ATOM 0 HA PRO A 27 -16.048 9.550 14.004 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.419 10.189 13.324 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.858 8.636 14.008 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.455 9.348 11.063 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.870 7.939 11.926 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.130 7.721 10.470 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.049 6.929 12.031 1.00 0.00 H new ATOM 444 N ALA A 28 -15.689 11.992 13.766 1.00 0.00 N ATOM 445 CA ALA A 28 -15.541 13.441 13.685 1.00 0.00 C ATOM 446 C ALA A 28 -14.717 13.978 14.862 1.00 0.00 C ATOM 447 O ALA A 28 -14.304 13.214 15.742 1.00 0.00 O ATOM 448 CB ALA A 28 -16.918 14.117 13.618 1.00 0.00 C ATOM 0 H ALA A 28 -15.777 11.658 14.726 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.999 13.679 12.770 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.790 15.198 13.558 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.453 13.765 12.736 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.489 13.868 14.512 1.00 0.00 H new ATOM 454 N ILE A 29 -14.543 15.310 14.895 1.00 0.00 N ATOM 455 CA ILE A 29 -13.923 16.056 15.998 1.00 0.00 C ATOM 456 C ILE A 29 -14.683 17.361 16.249 1.00 0.00 C ATOM 457 O ILE A 29 -15.415 17.846 15.388 1.00 0.00 O ATOM 458 CB ILE A 29 -12.422 16.269 15.700 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.531 16.960 16.748 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.239 17.110 14.441 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.328 16.223 18.059 1.00 0.00 C ATOM 0 H ILE A 29 -14.840 15.915 14.129 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.986 15.484 16.923 1.00 0.00 H new ATOM 0 HB ILE A 29 -12.094 15.231 15.642 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.553 17.136 16.301 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.960 17.937 16.969 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.175 17.249 14.248 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.698 16.601 13.594 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.712 18.082 14.581 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.683 16.812 18.711 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.292 16.070 18.544 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.863 15.257 17.865 1.00 0.00 H new ATOM 473 N ILE A 30 -14.476 17.927 17.439 1.00 0.00 N ATOM 474 CA ILE A 30 -15.073 19.162 17.935 1.00 0.00 C ATOM 475 C ILE A 30 -13.912 19.982 18.499 1.00 0.00 C ATOM 476 O ILE A 30 -13.540 19.775 19.653 1.00 0.00 O ATOM 477 CB ILE A 30 -16.204 18.867 18.974 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.429 18.322 18.215 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.566 20.124 19.778 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.663 17.868 19.016 1.00 0.00 C ATOM 0 H ILE A 30 -13.847 17.506 18.123 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.577 19.727 17.151 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.855 18.125 19.693 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.755 19.095 17.519 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -17.095 17.474 17.617 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.355 19.885 20.491 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.686 20.478 20.315 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.914 20.902 19.099 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.432 17.513 18.330 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.381 17.062 19.693 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -19.051 18.707 19.593 1.00 0.00 H new ATOM 492 N TYR A 31 -13.306 20.862 17.687 1.00 0.00 N ATOM 493 CA TYR A 31 -12.064 21.553 18.030 1.00 0.00 C ATOM 494 C TYR A 31 -12.194 23.064 18.162 1.00 0.00 C ATOM 495 O TYR A 31 -13.287 23.620 18.115 1.00 0.00 O ATOM 496 CB TYR A 31 -10.907 21.112 17.119 1.00 0.00 C ATOM 497 CG TYR A 31 -10.920 21.376 15.621 1.00 0.00 C ATOM 498 CD1 TYR A 31 -10.889 22.676 15.064 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.746 20.270 14.774 1.00 0.00 C ATOM 500 CE1 TYR A 31 -10.747 22.835 13.670 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.585 20.418 13.393 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.599 21.708 12.830 1.00 0.00 C ATOM 503 OH TYR A 31 -10.476 21.849 11.482 1.00 0.00 O ATOM 0 H TYR A 31 -13.671 21.112 16.768 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.815 21.234 19.042 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.002 21.575 17.513 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.797 20.035 17.248 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.974 23.542 15.703 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.736 19.278 15.201 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.751 23.826 13.241 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.451 19.550 12.764 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.797 21.037 11.038 1.00 0.00 H new ATOM 574 N PRO A 37 -9.855 19.710 22.113 1.00 0.00 N ATOM 575 CA PRO A 37 -11.013 19.222 21.363 1.00 0.00 C ATOM 576 C PRO A 37 -11.734 17.999 21.946 1.00 0.00 C ATOM 577 O PRO A 37 -11.490 17.595 23.083 1.00 0.00 O ATOM 578 CB PRO A 37 -10.454 18.871 19.987 1.00 0.00 C ATOM 579 CG PRO A 37 -9.338 19.876 19.840 1.00 0.00 C ATOM 580 CD PRO A 37 -8.711 19.769 21.211 1.00 0.00 C ATOM 0 HA PRO A 37 -11.781 19.996 21.373 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.088 17.845 19.944 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.204 18.975 19.203 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.643 19.614 19.042 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.706 20.880 19.626 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.087 18.879 21.297 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.074 20.627 21.428 1.00 0.00 H new ATOM 588 N LEU A 38 -12.643 17.416 21.144 1.00 0.00 N ATOM 589 CA LEU A 38 -13.473 16.284 21.530 1.00 0.00 C ATOM 590 C LEU A 38 -13.889 15.479 20.299 1.00 0.00 C ATOM 591 O LEU A 38 -14.730 15.918 19.519 1.00 0.00 O ATOM 592 CB LEU A 38 -14.714 16.806 22.257 1.00 0.00 C ATOM 593 CG LEU A 38 -15.609 15.661 22.769 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.181 15.345 24.195 1.00 0.00 C ATOM 595 CD2 LEU A 38 -17.069 16.099 22.711 1.00 0.00 C ATOM 0 H LEU A 38 -12.817 17.733 20.190 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.905 15.628 22.189 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.407 17.429 23.097 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.289 17.441 21.583 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.506 14.767 22.153 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.796 14.536 24.589 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.134 15.041 24.202 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.305 16.231 24.817 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.706 15.292 23.072 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.210 16.980 23.337 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.336 16.339 21.682 1.00 0.00 H new ATOM 607 N ALA A 39 -13.312 14.292 20.127 1.00 0.00 N ATOM 608 CA ALA A 39 -13.718 13.373 19.077 1.00 0.00 C ATOM 609 C ALA A 39 -15.050 12.696 19.438 1.00 0.00 C ATOM 610 O ALA A 39 -15.245 12.302 20.589 1.00 0.00 O ATOM 611 CB ALA A 39 -12.585 12.377 18.872 1.00 0.00 C ATOM 0 H ALA A 39 -12.552 13.945 20.712 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.897 13.900 18.140 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.859 11.671 18.088 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.680 12.910 18.580 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.404 11.836 19.801 1.00 0.00 H new ATOM 617 N ILE A 40 -15.962 12.549 18.461 1.00 0.00 N ATOM 618 CA ILE A 40 -17.304 12.022 18.611 1.00 0.00 C ATOM 619 C ILE A 40 -17.582 11.093 17.410 1.00 0.00 C ATOM 620 O ILE A 40 -17.280 11.428 16.264 1.00 0.00 O ATOM 621 CB ILE A 40 -18.320 13.187 18.709 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.499 14.077 17.457 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.078 14.035 19.969 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.300 14.937 17.077 1.00 0.00 C ATOM 0 H ILE A 40 -15.758 12.813 17.497 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.405 11.445 19.530 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.278 12.672 18.783 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.745 13.435 16.611 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.355 14.732 17.620 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.807 14.844 20.009 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.183 13.409 20.855 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.072 14.454 19.938 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.537 15.519 16.186 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.062 15.613 17.899 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.442 14.296 16.874 1.00 0.00 H new ATOM 636 N GLU A 41 -18.115 9.904 17.689 1.00 0.00 N ATOM 637 CA GLU A 41 -18.595 8.893 16.758 1.00 0.00 C ATOM 638 C GLU A 41 -20.021 9.243 16.355 1.00 0.00 C ATOM 639 O GLU A 41 -20.889 9.309 17.219 1.00 0.00 O ATOM 640 CB GLU A 41 -18.528 7.504 17.442 1.00 0.00 C ATOM 641 CG GLU A 41 -19.509 6.464 16.870 1.00 0.00 C ATOM 642 CD GLU A 41 -19.200 4.997 17.192 1.00 0.00 C ATOM 643 OE1 GLU A 41 -18.316 4.725 18.032 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.871 4.144 16.565 1.00 0.00 O ATOM 0 H GLU A 41 -18.230 9.601 18.656 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.976 8.862 15.861 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.513 7.117 17.351 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.728 7.627 18.506 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.508 6.694 17.241 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.538 6.579 15.786 1.00 0.00 H new ATOM 651 N LEU A 42 -20.277 9.425 15.056 1.00 0.00 N ATOM 652 CA LEU A 42 -21.609 9.709 14.534 1.00 0.00 C ATOM 653 C LEU A 42 -21.887 8.912 13.266 1.00 0.00 C ATOM 654 O LEU A 42 -21.007 8.275 12.699 1.00 0.00 O ATOM 655 CB LEU A 42 -21.822 11.220 14.320 1.00 0.00 C ATOM 656 CG LEU A 42 -21.080 11.840 13.115 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.740 13.162 12.738 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.620 12.154 13.408 1.00 0.00 C ATOM 0 H LEU A 42 -19.557 9.378 14.335 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.333 9.388 15.283 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.890 11.404 14.199 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.509 11.743 15.224 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.131 11.100 12.316 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.217 13.600 11.888 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.782 12.985 12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.693 13.847 13.585 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.156 12.587 12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.559 12.864 14.233 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.098 11.236 13.679 1.00 0.00 H new ATOM 670 N ASP A 43 -23.143 8.953 12.831 1.00 0.00 N ATOM 671 CA ASP A 43 -23.640 8.282 11.646 1.00 0.00 C ATOM 672 C ASP A 43 -23.170 9.024 10.399 1.00 0.00 C ATOM 673 O ASP A 43 -23.335 10.244 10.301 1.00 0.00 O ATOM 674 CB ASP A 43 -25.168 8.239 11.707 1.00 0.00 C ATOM 675 CG ASP A 43 -25.720 7.147 10.803 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.884 7.450 9.601 1.00 0.00 O ATOM 677 OD2 ASP A 43 -25.951 6.037 11.324 1.00 0.00 O ATOM 0 H ASP A 43 -23.868 9.478 13.319 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.255 7.263 11.602 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.490 8.063 12.734 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.575 9.205 11.407 1.00 0.00 H new ATOM 682 N HIS A 44 -22.601 8.280 9.443 1.00 0.00 N ATOM 683 CA HIS A 44 -22.201 8.834 8.160 1.00 0.00 C ATOM 684 C HIS A 44 -23.425 9.285 7.373 1.00 0.00 C ATOM 685 O HIS A 44 -23.421 10.393 6.851 1.00 0.00 O ATOM 686 CB HIS A 44 -21.421 7.789 7.361 1.00 0.00 C ATOM 687 CG HIS A 44 -20.858 8.266 6.034 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.427 9.182 5.174 1.00 0.00 N ATOM 689 CD2 HIS A 44 -19.657 7.896 5.489 1.00 0.00 C ATOM 690 CE1 HIS A 44 -20.584 9.365 4.147 1.00 0.00 C ATOM 691 NE2 HIS A 44 -19.494 8.595 4.288 1.00 0.00 N ATOM 0 H HIS A 44 -22.409 7.283 9.543 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.561 9.699 8.336 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.597 7.428 7.976 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.076 6.938 7.173 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -22.330 9.640 5.297 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -18.959 7.189 5.912 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -20.758 10.039 3.321 1.00 0.00 H new ATOM 699 N ASP A 45 -24.439 8.427 7.223 1.00 0.00 N ATOM 700 CA ASP A 45 -25.577 8.707 6.353 1.00 0.00 C ATOM 701 C ASP A 45 -26.432 9.860 6.891 1.00 0.00 C ATOM 702 O ASP A 45 -27.004 10.619 6.107 1.00 0.00 O ATOM 703 CB ASP A 45 -26.417 7.441 6.185 1.00 0.00 C ATOM 704 CG ASP A 45 -27.218 7.498 4.884 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.561 7.423 3.819 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.459 7.618 4.970 1.00 0.00 O ATOM 0 H ASP A 45 -24.491 7.526 7.699 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.196 9.018 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -25.768 6.565 6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.095 7.332 7.032 1.00 0.00 H new ATOM 711 N LYS A 46 -26.439 10.039 8.222 1.00 0.00 N ATOM 712 CA LYS A 46 -26.889 11.269 8.857 1.00 0.00 C ATOM 713 C LYS A 46 -26.017 12.415 8.346 1.00 0.00 C ATOM 714 O LYS A 46 -26.489 13.155 7.490 1.00 0.00 O ATOM 715 CB LYS A 46 -26.866 11.148 10.388 1.00 0.00 C ATOM 716 CG LYS A 46 -27.437 12.376 11.090 1.00 0.00 C ATOM 717 CD LYS A 46 -27.202 12.392 12.605 1.00 0.00 C ATOM 718 CE LYS A 46 -27.793 11.223 13.388 1.00 0.00 C ATOM 719 NZ LYS A 46 -29.254 11.099 13.211 1.00 0.00 N ATOM 0 H LYS A 46 -26.130 9.326 8.883 1.00 0.00 H new ATOM 0 HA LYS A 46 -27.928 11.471 8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.436 10.268 10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -25.840 10.991 10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -26.993 13.271 10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.509 12.426 10.898 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.127 12.417 12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.615 13.318 13.007 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.313 10.298 13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.569 11.350 14.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -29.603 10.290 13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -29.719 11.969 13.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -29.470 10.950 12.205 1.00 0.00 H new ATOM 733 N VAL A 47 -24.776 12.581 8.842 1.00 0.00 N ATOM 734 CA VAL A 47 -23.975 13.782 8.598 1.00 0.00 C ATOM 735 C VAL A 47 -23.805 14.124 7.112 1.00 0.00 C ATOM 736 O VAL A 47 -23.689 15.292 6.758 1.00 0.00 O ATOM 737 CB VAL A 47 -22.632 13.675 9.320 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.642 12.775 8.606 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.046 15.066 9.568 1.00 0.00 C ATOM 0 H VAL A 47 -24.307 11.884 9.421 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.532 14.622 9.013 1.00 0.00 H new ATOM 0 HB VAL A 47 -22.826 13.200 10.282 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -20.709 12.741 9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.055 11.769 8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.449 13.167 7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.090 14.972 10.083 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -21.896 15.573 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.734 15.646 10.183 1.00 0.00 H new ATOM 749 N MET A 48 -23.859 13.106 6.255 1.00 0.00 N ATOM 750 CA MET A 48 -24.016 13.205 4.815 1.00 0.00 C ATOM 751 C MET A 48 -25.145 14.179 4.473 1.00 0.00 C ATOM 752 O MET A 48 -24.862 15.237 3.936 1.00 0.00 O ATOM 753 CB MET A 48 -24.236 11.815 4.206 1.00 0.00 C ATOM 754 CG MET A 48 -24.416 11.821 2.687 1.00 0.00 C ATOM 755 SD MET A 48 -22.914 11.472 1.730 1.00 0.00 S ATOM 756 CE MET A 48 -22.092 13.083 1.764 1.00 0.00 C ATOM 0 H MET A 48 -23.790 12.138 6.570 1.00 0.00 H new ATOM 0 HA MET A 48 -23.102 13.605 4.376 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.386 11.181 4.458 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.117 11.365 4.664 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.175 11.084 2.424 1.00 0.00 H new ATOM 0 HG3 MET A 48 -24.801 12.796 2.387 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.249 13.076 1.073 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.798 13.858 1.467 1.00 0.00 H new ATOM 0 HE3 MET A 48 -21.733 13.287 2.773 1.00 0.00 H new ATOM 766 N ASN A 49 -26.400 13.889 4.820 1.00 0.00 N ATOM 767 CA ASN A 49 -27.520 14.819 4.651 1.00 0.00 C ATOM 768 C ASN A 49 -27.307 16.184 5.316 1.00 0.00 C ATOM 769 O ASN A 49 -27.945 17.154 4.908 1.00 0.00 O ATOM 770 CB ASN A 49 -28.762 14.163 5.258 1.00 0.00 C ATOM 771 CG ASN A 49 -30.040 14.988 5.123 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.327 15.571 4.080 1.00 0.00 O ATOM 773 ND2 ASN A 49 -30.827 15.037 6.193 1.00 0.00 N ATOM 0 H ASN A 49 -26.671 12.995 5.230 1.00 0.00 H new ATOM 0 HA ASN A 49 -27.623 15.014 3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -28.917 13.195 4.781 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.577 13.972 6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -31.697 15.569 6.163 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.561 14.542 7.045 1.00 0.00 H new ATOM 780 N MET A 50 -26.440 16.285 6.328 1.00 0.00 N ATOM 781 CA MET A 50 -26.321 17.460 7.142 1.00 0.00 C ATOM 782 C MET A 50 -25.372 18.439 6.436 1.00 0.00 C ATOM 783 O MET A 50 -25.841 19.468 5.967 1.00 0.00 O ATOM 784 CB MET A 50 -25.894 16.990 8.535 1.00 0.00 C ATOM 785 CG MET A 50 -26.736 15.888 9.149 1.00 0.00 C ATOM 786 SD MET A 50 -28.468 16.259 9.497 1.00 0.00 S ATOM 787 CE MET A 50 -28.414 15.995 11.278 1.00 0.00 C ATOM 0 H MET A 50 -25.802 15.535 6.594 1.00 0.00 H new ATOM 0 HA MET A 50 -27.249 18.017 7.276 1.00 0.00 H new ATOM 0 HB2 MET A 50 -24.862 16.644 8.480 1.00 0.00 H new ATOM 0 HB3 MET A 50 -25.907 17.848 9.207 1.00 0.00 H new ATOM 0 HG2 MET A 50 -26.704 15.028 8.480 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.263 15.584 10.083 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.371 15.598 11.616 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.622 15.285 11.517 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.216 16.942 11.780 1.00 0.00 H new ATOM 797 N GLN A 51 -24.078 18.121 6.265 1.00 0.00 N ATOM 798 CA GLN A 51 -23.152 18.963 5.469 1.00 0.00 C ATOM 799 C GLN A 51 -23.549 19.109 3.992 1.00 0.00 C ATOM 800 O GLN A 51 -22.949 19.909 3.275 1.00 0.00 O ATOM 801 CB GLN A 51 -21.671 18.538 5.608 1.00 0.00 C ATOM 802 CG GLN A 51 -21.223 17.147 5.183 1.00 0.00 C ATOM 803 CD GLN A 51 -21.397 16.926 3.700 1.00 0.00 C ATOM 804 OE1 GLN A 51 -20.634 17.443 2.894 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.417 16.164 3.344 1.00 0.00 N ATOM 0 H GLN A 51 -23.644 17.289 6.665 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.251 19.954 5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.076 19.255 5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -21.399 18.657 6.657 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.176 17.006 5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -21.795 16.398 5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -23.023 15.757 4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.598 15.983 2.357 1.00 0.00 H new ATOM 814 N ALA A 52 -24.560 18.362 3.534 1.00 0.00 N ATOM 815 CA ALA A 52 -25.136 18.448 2.224 1.00 0.00 C ATOM 816 C ALA A 52 -26.015 19.692 2.050 1.00 0.00 C ATOM 817 O ALA A 52 -26.478 19.917 0.931 1.00 0.00 O ATOM 818 CB ALA A 52 -25.870 17.145 1.910 1.00 0.00 C ATOM 0 H ALA A 52 -25.008 17.650 4.111 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.336 18.572 1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.310 17.206 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.166 16.313 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -26.658 16.985 2.646 1.00 0.00 H new ATOM 824 N LYS A 53 -26.210 20.530 3.090 1.00 0.00 N ATOM 825 CA LYS A 53 -26.676 21.898 2.880 1.00 0.00 C ATOM 826 C LYS A 53 -25.683 22.876 3.493 1.00 0.00 C ATOM 827 O LYS A 53 -24.919 22.522 4.390 1.00 0.00 O ATOM 828 CB LYS A 53 -28.111 22.093 3.390 1.00 0.00 C ATOM 829 CG LYS A 53 -28.284 21.930 4.907 1.00 0.00 C ATOM 830 CD LYS A 53 -28.595 20.494 5.321 1.00 0.00 C ATOM 831 CE LYS A 53 -30.033 20.069 4.992 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.071 18.887 4.104 1.00 0.00 N ATOM 0 H LYS A 53 -26.052 20.279 4.066 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.721 22.102 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.451 23.089 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.761 21.378 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.373 22.258 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.088 22.583 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -27.900 19.820 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.427 20.387 6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.566 19.845 5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.556 20.898 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -30.984 18.401 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -29.955 19.191 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -29.300 18.237 4.359 1.00 0.00 H new ATOM 846 N ALA A 54 -25.709 24.121 3.010 1.00 0.00 N ATOM 847 CA ALA A 54 -24.764 25.135 3.450 1.00 0.00 C ATOM 848 C ALA A 54 -25.072 25.649 4.851 1.00 0.00 C ATOM 849 O ALA A 54 -24.154 26.055 5.556 1.00 0.00 O ATOM 850 CB ALA A 54 -24.747 26.298 2.454 1.00 0.00 C ATOM 0 H ALA A 54 -26.379 24.446 2.312 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.780 24.668 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.037 27.054 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.449 25.931 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.742 26.738 2.391 1.00 0.00 H new ATOM 856 N GLU A 55 -26.337 25.556 5.273 1.00 0.00 N ATOM 857 CA GLU A 55 -26.829 25.834 6.611 1.00 0.00 C ATOM 858 C GLU A 55 -26.044 25.053 7.675 1.00 0.00 C ATOM 859 O GLU A 55 -25.964 25.472 8.823 1.00 0.00 O ATOM 860 CB GLU A 55 -28.313 25.431 6.688 1.00 0.00 C ATOM 861 CG GLU A 55 -29.209 25.920 5.536 1.00 0.00 C ATOM 862 CD GLU A 55 -30.612 25.317 5.646 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.362 25.750 6.547 1.00 0.00 O ATOM 864 OE2 GLU A 55 -30.906 24.408 4.837 1.00 0.00 O ATOM 0 H GLU A 55 -27.086 25.266 4.644 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.703 26.899 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.371 24.343 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.723 25.808 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.273 27.008 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -28.763 25.644 4.580 1.00 0.00 H new ATOM 871 N PHE A 56 -25.450 23.914 7.310 1.00 0.00 N ATOM 872 CA PHE A 56 -24.733 23.079 8.251 1.00 0.00 C ATOM 873 C PHE A 56 -23.383 23.644 8.649 1.00 0.00 C ATOM 874 O PHE A 56 -22.970 23.513 9.801 1.00 0.00 O ATOM 875 CB PHE A 56 -24.534 21.719 7.600 1.00 0.00 C ATOM 876 CG PHE A 56 -23.658 20.708 8.318 1.00 0.00 C ATOM 877 CD1 PHE A 56 -22.259 20.703 8.164 1.00 0.00 C ATOM 878 CD2 PHE A 56 -24.266 19.688 9.058 1.00 0.00 C ATOM 879 CE1 PHE A 56 -21.500 19.653 8.712 1.00 0.00 C ATOM 880 CE2 PHE A 56 -23.505 18.628 9.581 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.125 18.594 9.377 1.00 0.00 C ATOM 0 H PHE A 56 -25.458 23.554 6.356 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.323 23.017 9.166 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.517 21.269 7.459 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -24.112 21.882 6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -21.770 21.502 7.627 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -25.332 19.715 9.229 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -20.424 19.665 8.618 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -23.988 17.840 10.140 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.544 17.755 9.730 1.00 0.00 H new ATOM 891 N TYR A 57 -22.676 24.211 7.673 1.00 0.00 N ATOM 892 CA TYR A 57 -21.384 24.816 7.937 1.00 0.00 C ATOM 893 C TYR A 57 -21.504 26.305 8.271 1.00 0.00 C ATOM 894 O TYR A 57 -20.674 26.846 8.999 1.00 0.00 O ATOM 895 CB TYR A 57 -20.440 24.555 6.753 1.00 0.00 C ATOM 896 CG TYR A 57 -20.698 25.310 5.459 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.353 26.674 5.355 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.188 24.629 4.328 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.536 27.365 4.146 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.343 25.306 3.105 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.033 26.683 3.013 1.00 0.00 C ATOM 902 OH TYR A 57 -21.201 27.352 1.836 1.00 0.00 O ATOM 0 H TYR A 57 -22.979 24.261 6.700 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.956 24.350 8.824 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.425 24.784 7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.470 23.489 6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.945 27.191 6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.446 23.583 4.400 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.297 28.416 4.083 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.699 24.774 2.235 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.550 26.737 1.157 1.00 0.00 H new ATOM 912 N SER A 58 -22.541 26.958 7.737 1.00 0.00 N ATOM 913 CA SER A 58 -22.798 28.381 7.898 1.00 0.00 C ATOM 914 C SER A 58 -23.521 28.656 9.219 1.00 0.00 C ATOM 915 O SER A 58 -23.402 29.762 9.745 1.00 0.00 O ATOM 916 CB SER A 58 -23.616 28.872 6.695 1.00 0.00 C ATOM 917 OG SER A 58 -23.711 30.281 6.660 1.00 0.00 O ATOM 0 H SER A 58 -23.243 26.490 7.164 1.00 0.00 H new ATOM 0 HA SER A 58 -21.855 28.926 7.934 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.155 28.517 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.617 28.442 6.737 1.00 0.00 H new ATOM 0 HG SER A 58 -24.237 30.554 5.880 1.00 0.00 H new ATOM 923 N GLU A 59 -24.224 27.657 9.777 1.00 0.00 N ATOM 924 CA GLU A 59 -24.942 27.771 11.034 1.00 0.00 C ATOM 925 C GLU A 59 -24.525 26.604 11.936 1.00 0.00 C ATOM 926 O GLU A 59 -23.960 25.611 11.480 1.00 0.00 O ATOM 927 CB GLU A 59 -26.475 27.821 10.831 1.00 0.00 C ATOM 928 CG GLU A 59 -27.024 28.336 9.479 1.00 0.00 C ATOM 929 CD GLU A 59 -28.263 29.209 9.677 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.330 28.626 9.971 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.126 30.446 9.545 1.00 0.00 O ATOM 0 H GLU A 59 -24.304 26.734 9.350 1.00 0.00 H new ATOM 0 HA GLU A 59 -24.680 28.715 11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -26.863 26.814 10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -26.894 28.447 11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.252 28.909 8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.272 27.489 8.839 1.00 0.00 H new ATOM 938 N VAL A 60 -24.789 26.736 13.235 1.00 0.00 N ATOM 939 CA VAL A 60 -24.415 25.751 14.239 1.00 0.00 C ATOM 940 C VAL A 60 -25.300 24.498 14.186 1.00 0.00 C ATOM 941 O VAL A 60 -26.479 24.565 13.842 1.00 0.00 O ATOM 942 CB VAL A 60 -24.423 26.467 15.608 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.810 26.993 16.022 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.882 25.595 16.725 1.00 0.00 C ATOM 0 H VAL A 60 -25.276 27.544 13.622 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.414 25.365 14.046 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.762 27.322 15.462 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.738 27.483 16.993 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -26.164 27.708 15.280 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.510 26.160 16.087 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.910 26.147 17.664 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.493 24.697 16.814 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.853 25.313 16.501 1.00 0.00 H new ATOM 954 N LEU A 61 -24.717 23.361 14.584 1.00 0.00 N ATOM 955 CA LEU A 61 -25.332 22.053 14.725 1.00 0.00 C ATOM 956 C LEU A 61 -25.252 21.640 16.204 1.00 0.00 C ATOM 957 O LEU A 61 -24.362 22.111 16.915 1.00 0.00 O ATOM 958 CB LEU A 61 -24.526 21.042 13.898 1.00 0.00 C ATOM 959 CG LEU A 61 -24.064 21.450 12.478 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.023 20.437 11.997 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.159 21.569 11.407 1.00 0.00 C ATOM 0 H LEU A 61 -23.728 23.339 14.833 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.368 22.081 14.388 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.638 20.777 14.472 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -25.126 20.137 13.804 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.670 22.460 12.590 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.686 20.709 10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.173 20.437 12.679 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.468 19.442 11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.709 21.860 10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.661 20.608 11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.885 22.323 11.711 1.00 0.00 H new ATOM 973 N THR A 62 -26.112 20.716 16.663 1.00 0.00 N ATOM 974 CA THR A 62 -26.122 20.268 18.054 1.00 0.00 C ATOM 975 C THR A 62 -25.695 18.798 18.114 1.00 0.00 C ATOM 976 O THR A 62 -26.498 17.912 17.847 1.00 0.00 O ATOM 977 CB THR A 62 -27.512 20.476 18.676 1.00 0.00 C ATOM 978 OG1 THR A 62 -28.085 21.728 18.351 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.457 20.327 20.197 1.00 0.00 C ATOM 0 H THR A 62 -26.815 20.264 16.078 1.00 0.00 H new ATOM 0 HA THR A 62 -25.415 20.860 18.635 1.00 0.00 H new ATOM 0 HB THR A 62 -28.148 19.701 18.248 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.974 21.797 18.759 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.453 20.479 20.614 1.00 0.00 H new ATOM 0 HG22 THR A 62 -27.105 19.327 20.452 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.774 21.069 20.611 1.00 0.00 H new ATOM 987 N ILE A 63 -24.434 18.509 18.433 1.00 0.00 N ATOM 988 CA ILE A 63 -23.958 17.145 18.577 1.00 0.00 C ATOM 989 C ILE A 63 -24.458 16.578 19.901 1.00 0.00 C ATOM 990 O ILE A 63 -24.002 16.988 20.963 1.00 0.00 O ATOM 991 CB ILE A 63 -22.423 17.042 18.520 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.706 17.958 17.523 1.00 0.00 C ATOM 993 CG2 ILE A 63 -22.028 15.585 18.285 1.00 0.00 C ATOM 994 CD1 ILE A 63 -22.282 18.076 16.123 1.00 0.00 C ATOM 0 H ILE A 63 -23.719 19.217 18.598 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.349 16.571 17.737 1.00 0.00 H new ATOM 0 HB ILE A 63 -22.082 17.407 19.489 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.670 18.958 17.955 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.676 17.612 17.433 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.942 15.505 18.243 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.406 14.969 19.101 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.454 15.240 17.343 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.669 18.757 15.533 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.291 17.094 15.649 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.300 18.461 16.180 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.387 15.628 19.840 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.972 14.998 21.010 1.00 0.00 C ATOM 1008 C VAL A 64 -25.149 13.744 21.308 1.00 0.00 C ATOM 1009 O VAL A 64 -25.480 12.664 20.824 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.476 14.786 20.782 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -28.180 14.123 21.963 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -28.146 16.145 20.566 1.00 0.00 C ATOM 0 H VAL A 64 -25.758 15.271 18.959 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.927 15.617 21.906 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.565 14.130 19.916 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.239 14.003 21.735 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.736 13.145 22.149 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -28.068 14.747 22.850 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.214 16.002 20.403 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.993 16.770 21.446 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.708 16.632 19.695 1.00 0.00 H new ATOM 1022 N VAL A 65 -24.038 13.907 22.044 1.00 0.00 N ATOM 1023 CA VAL A 65 -23.105 12.850 22.406 1.00 0.00 C ATOM 1024 C VAL A 65 -23.741 12.036 23.524 1.00 0.00 C ATOM 1025 O VAL A 65 -23.718 12.444 24.684 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.694 13.393 22.738 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.148 14.187 21.555 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.578 14.291 23.970 1.00 0.00 C ATOM 0 H VAL A 65 -23.762 14.817 22.413 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.926 12.192 21.556 1.00 0.00 H new ATOM 0 HB VAL A 65 -21.124 12.490 22.958 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -20.155 14.565 21.798 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.086 13.540 20.680 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.813 15.024 21.341 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.542 14.605 24.095 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -22.211 15.169 23.841 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.899 13.739 24.854 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.369 10.909 23.170 1.00 0.00 N ATOM 1039 CA ASP A 66 -25.020 10.019 24.131 1.00 0.00 C ATOM 1040 C ASP A 66 -26.077 10.764 24.981 1.00 0.00 C ATOM 1041 O ASP A 66 -26.300 10.438 26.146 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.910 9.307 24.931 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.443 8.227 25.873 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -25.028 7.250 25.361 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -24.253 8.409 27.099 1.00 0.00 O ATOM 0 H ASP A 66 -24.439 10.590 22.204 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.609 9.251 23.629 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -23.202 8.856 24.235 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.359 10.046 25.512 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.702 11.807 24.409 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.734 12.610 25.062 1.00 0.00 C ATOM 1052 C GLY A 67 -27.257 13.978 25.562 1.00 0.00 C ATOM 1053 O GLY A 67 -28.080 14.735 26.072 1.00 0.00 O ATOM 0 H GLY A 67 -26.495 12.117 23.460 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.556 12.760 24.362 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -28.133 12.048 25.907 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.964 14.315 25.427 1.00 0.00 N ATOM 1058 CA LYS A 68 -25.405 15.597 25.854 1.00 0.00 C ATOM 1059 C LYS A 68 -25.223 16.489 24.642 1.00 0.00 C ATOM 1060 O LYS A 68 -24.602 16.072 23.678 1.00 0.00 O ATOM 1061 CB LYS A 68 -24.054 15.377 26.533 1.00 0.00 C ATOM 1062 CG LYS A 68 -24.224 14.871 27.968 1.00 0.00 C ATOM 1063 CD LYS A 68 -23.586 13.503 28.259 1.00 0.00 C ATOM 1064 CE LYS A 68 -24.491 12.365 27.773 1.00 0.00 C ATOM 1065 NZ LYS A 68 -23.890 11.037 27.996 1.00 0.00 N ATOM 0 H LYS A 68 -25.272 13.692 25.011 1.00 0.00 H new ATOM 0 HA LYS A 68 -26.086 16.070 26.562 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.470 14.658 25.959 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.492 16.311 26.539 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.795 15.606 28.649 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -25.289 14.812 28.192 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.616 13.437 27.767 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -23.408 13.400 29.329 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -25.449 12.419 28.291 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -24.695 12.495 26.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -24.413 10.323 27.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.897 11.049 27.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -23.936 10.801 29.008 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.758 17.705 24.689 1.00 0.00 N ATOM 1080 CA GLU A 69 -26.049 18.501 23.502 1.00 0.00 C ATOM 1081 C GLU A 69 -24.991 19.593 23.305 1.00 0.00 C ATOM 1082 O GLU A 69 -24.920 20.527 24.105 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.474 19.056 23.635 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.482 17.952 23.993 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.901 18.353 23.589 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -30.241 18.127 22.406 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.615 18.901 24.457 1.00 0.00 O ATOM 0 H GLU A 69 -26.004 18.171 25.562 1.00 0.00 H new ATOM 0 HA GLU A 69 -26.004 17.886 22.603 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.493 19.830 24.403 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.769 19.529 22.698 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.205 17.025 23.490 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.447 17.756 25.065 1.00 0.00 H new ATOM 1094 N ILE A 70 -24.141 19.455 22.273 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.935 20.275 22.103 1.00 0.00 C ATOM 1096 C ILE A 70 -23.091 21.130 20.846 1.00 0.00 C ATOM 1097 O ILE A 70 -23.302 20.605 19.759 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.657 19.396 22.052 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -21.167 18.887 23.422 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.497 20.177 21.435 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -22.092 17.838 24.013 1.00 0.00 C ATOM 0 H ILE A 70 -24.274 18.768 21.531 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.819 20.933 22.964 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.950 18.533 21.454 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -20.167 18.467 23.314 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -21.087 19.727 24.112 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.608 19.547 21.406 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.760 20.479 20.421 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -20.294 21.063 22.037 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.703 17.512 24.978 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -23.086 18.264 24.148 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -22.152 16.984 23.338 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.927 22.448 20.979 1.00 0.00 N ATOM 1114 CA LYS A 71 -23.021 23.379 19.872 1.00 0.00 C ATOM 1115 C LYS A 71 -21.677 23.525 19.185 1.00 0.00 C ATOM 1116 O LYS A 71 -20.685 23.844 19.837 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.572 24.729 20.371 1.00 0.00 C ATOM 1118 CG LYS A 71 -25.099 24.791 20.528 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.855 24.044 19.416 1.00 0.00 C ATOM 1120 CE LYS A 71 -27.152 24.685 18.947 1.00 0.00 C ATOM 1121 NZ LYS A 71 -28.257 24.431 19.891 1.00 0.00 N ATOM 0 H LYS A 71 -22.723 22.896 21.872 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.717 22.992 19.128 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -23.114 24.958 21.333 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.262 25.510 19.677 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -25.376 24.368 21.494 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -25.415 25.834 20.535 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -25.191 23.943 18.557 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -26.077 23.037 19.768 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -27.008 25.760 18.836 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.416 24.295 17.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -29.064 25.042 19.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.546 23.434 19.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.940 24.638 20.860 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.664 23.281 17.864 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.490 23.358 16.995 1.00 0.00 C ATOM 1137 C VAL A 72 -20.869 23.695 15.551 1.00 0.00 C ATOM 1138 O VAL A 72 -21.997 23.438 15.145 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.726 22.037 17.034 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -19.250 21.672 18.418 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.571 20.884 16.489 1.00 0.00 C ATOM 0 H VAL A 72 -22.508 23.014 17.357 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.856 24.162 17.368 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.853 22.191 16.400 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.714 20.724 18.380 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.584 22.450 18.791 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -20.107 21.578 19.085 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.996 19.959 16.532 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.473 20.778 17.091 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.847 21.092 15.455 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.925 24.200 14.748 1.00 0.00 N ATOM 1152 CA LYS A 73 -20.155 24.547 13.341 1.00 0.00 C ATOM 1153 C LYS A 73 -19.085 23.896 12.491 1.00 0.00 C ATOM 1154 O LYS A 73 -17.910 23.977 12.840 1.00 0.00 O ATOM 1155 CB LYS A 73 -20.058 26.055 13.102 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.994 26.901 13.967 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.228 27.854 14.881 1.00 0.00 C ATOM 1158 CE LYS A 73 -19.738 29.127 14.176 1.00 0.00 C ATOM 1159 NZ LYS A 73 -18.581 28.900 13.283 1.00 0.00 N ATOM 0 H LYS A 73 -18.971 24.381 15.060 1.00 0.00 H new ATOM 0 HA LYS A 73 -21.156 24.202 13.081 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.031 26.373 13.284 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -20.273 26.257 12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.661 27.475 13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.620 26.245 14.572 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.869 28.136 15.716 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.370 27.329 15.301 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.558 29.549 13.595 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.466 29.867 14.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.165 29.815 13.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.868 28.327 13.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.895 28.398 12.428 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.481 23.289 11.373 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.549 22.590 10.510 1.00 0.00 C ATOM 1175 C ALA A 74 -17.557 23.545 9.855 1.00 0.00 C ATOM 1176 O ALA A 74 -17.936 24.645 9.451 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.339 21.822 9.474 1.00 0.00 C ATOM 0 H ALA A 74 -20.448 23.271 11.048 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.956 21.898 11.108 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.653 21.289 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.993 21.106 9.972 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.941 22.516 8.887 1.00 0.00 H new ATOM 1183 N GLN A 75 -16.298 23.102 9.748 1.00 0.00 N ATOM 1184 CA GLN A 75 -15.170 23.969 9.412 1.00 0.00 C ATOM 1185 C GLN A 75 -14.243 23.325 8.365 1.00 0.00 C ATOM 1186 O GLN A 75 -13.619 24.047 7.589 1.00 0.00 O ATOM 1187 CB GLN A 75 -14.452 24.300 10.734 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.729 25.650 10.794 1.00 0.00 C ATOM 1189 CD GLN A 75 -14.642 26.880 10.736 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -15.824 26.828 11.074 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -14.089 28.025 10.340 1.00 0.00 N ATOM 0 H GLN A 75 -16.036 22.127 9.893 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.513 24.890 8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -15.186 24.269 11.539 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.725 23.513 10.935 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.147 25.692 11.715 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.021 25.703 9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.107 28.049 10.064 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.647 28.878 10.313 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.208 21.986 8.294 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.552 21.169 7.280 1.00 0.00 C ATOM 1202 C ASP A 76 -14.331 19.854 7.258 1.00 0.00 C ATOM 1203 O ASP A 76 -14.142 18.976 8.101 1.00 0.00 O ATOM 1204 CB ASP A 76 -12.032 21.005 7.538 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.422 19.695 6.999 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.710 19.377 5.824 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -10.654 19.035 7.744 1.00 0.00 O ATOM 0 H ASP A 76 -14.673 21.411 8.997 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.576 21.640 6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.508 21.847 7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.852 21.058 8.612 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.261 19.754 6.302 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.801 18.481 5.854 1.00 0.00 C ATOM 1214 C VAL A 77 -14.922 18.029 4.680 1.00 0.00 C ATOM 1215 O VAL A 77 -14.533 18.826 3.825 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.307 18.576 5.494 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.198 19.097 6.640 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.577 19.449 4.279 1.00 0.00 C ATOM 0 H VAL A 77 -15.657 20.561 5.820 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.770 17.738 6.651 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.569 17.540 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.235 19.133 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.115 18.429 7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.874 20.097 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.648 19.474 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.220 20.461 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -17.057 19.039 3.413 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.635 16.732 4.640 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.788 16.070 3.662 1.00 0.00 C ATOM 1230 C GLN A 78 -14.688 15.104 2.897 1.00 0.00 C ATOM 1231 O GLN A 78 -15.265 14.201 3.503 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.640 15.305 4.346 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.671 16.139 5.206 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.570 15.265 5.829 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.287 14.168 5.352 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.931 15.729 6.904 1.00 0.00 N ATOM 0 H GLN A 78 -15.010 16.081 5.329 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.326 16.799 2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.075 14.531 4.977 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.061 14.799 3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.215 16.916 4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.227 16.643 5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.176 16.641 7.289 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.197 15.172 7.341 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.838 15.301 1.583 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.576 14.380 0.720 1.00 0.00 C ATOM 1247 C ARG A 79 -14.706 13.164 0.384 1.00 0.00 C ATOM 1248 O ARG A 79 -13.481 13.213 0.507 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.020 15.103 -0.566 1.00 0.00 C ATOM 1250 CG ARG A 79 -16.992 16.271 -0.318 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.352 15.791 0.207 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.246 16.907 0.542 1.00 0.00 N ATOM 1253 CZ ARG A 79 -20.003 17.638 -0.291 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.947 17.468 -1.617 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -20.834 18.547 0.228 1.00 0.00 N ATOM 0 H ARG A 79 -14.450 16.105 1.090 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.466 14.033 1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.138 15.480 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.495 14.382 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.551 16.963 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.137 16.824 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.827 15.161 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.200 15.172 1.091 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.298 17.157 1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.319 16.770 -2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.533 18.036 -2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.884 18.674 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.418 19.114 -0.387 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.341 12.084 -0.087 1.00 0.00 N ATOM 1270 CA HIS A 80 -14.650 10.965 -0.713 1.00 0.00 C ATOM 1271 C HIS A 80 -13.988 11.423 -2.028 1.00 0.00 C ATOM 1272 O HIS A 80 -14.406 12.425 -2.613 1.00 0.00 O ATOM 1273 CB HIS A 80 -15.634 9.808 -0.946 1.00 0.00 C ATOM 1274 CG HIS A 80 -15.378 8.586 -0.096 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -15.600 8.449 1.257 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -14.957 7.371 -0.561 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -15.326 7.175 1.586 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -14.929 6.478 0.510 1.00 0.00 N ATOM 0 H HIS A 80 -16.353 11.967 -0.041 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.861 10.606 -0.052 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -16.646 10.164 -0.752 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.593 9.519 -1.996 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -15.915 9.181 1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.692 7.142 -1.583 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.414 6.767 2.582 1.00 0.00 H new ATOM 1286 N PRO A 81 -12.970 10.690 -2.515 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.150 11.099 -3.648 1.00 0.00 C ATOM 1288 C PRO A 81 -12.830 10.861 -5.004 1.00 0.00 C ATOM 1289 O PRO A 81 -12.438 11.497 -5.981 1.00 0.00 O ATOM 1290 CB PRO A 81 -10.863 10.279 -3.514 1.00 0.00 C ATOM 1291 CG PRO A 81 -11.334 8.983 -2.855 1.00 0.00 C ATOM 1292 CD PRO A 81 -12.485 9.438 -1.960 1.00 0.00 C ATOM 0 HA PRO A 81 -11.967 12.173 -3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.403 10.092 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.121 10.793 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.664 8.253 -3.594 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.538 8.513 -2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.278 8.691 -1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.147 9.574 -0.933 1.00 0.00 H new ATOM 1300 N TYR A 82 -13.840 9.977 -5.075 1.00 0.00 N ATOM 1301 CA TYR A 82 -14.626 9.760 -6.288 1.00 0.00 C ATOM 1302 C TYR A 82 -16.093 9.449 -5.972 1.00 0.00 C ATOM 1303 O TYR A 82 -16.985 9.860 -6.713 1.00 0.00 O ATOM 1304 CB TYR A 82 -13.984 8.628 -7.104 1.00 0.00 C ATOM 1305 CG TYR A 82 -14.586 8.446 -8.484 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -14.209 9.312 -9.529 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -15.526 7.424 -8.723 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -14.762 9.158 -10.812 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -16.084 7.264 -10.003 1.00 0.00 C ATOM 1310 CZ TYR A 82 -15.703 8.130 -11.055 1.00 0.00 C ATOM 1311 OH TYR A 82 -16.245 7.970 -12.296 1.00 0.00 O ATOM 0 H TYR A 82 -14.130 9.395 -4.289 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.624 10.679 -6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.917 8.828 -7.207 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.081 7.694 -6.550 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.492 10.098 -9.344 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -15.818 6.762 -7.921 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.469 9.823 -11.611 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.804 6.480 -10.184 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.871 7.216 -12.285 1.00 0.00 H new ATOM 1321 N LYS A 83 -16.345 8.729 -4.872 1.00 0.00 N ATOM 1322 CA LYS A 83 -17.679 8.338 -4.434 1.00 0.00 C ATOM 1323 C LYS A 83 -18.396 9.545 -3.802 1.00 0.00 C ATOM 1324 O LYS A 83 -17.730 10.424 -3.253 1.00 0.00 O ATOM 1325 CB LYS A 83 -17.548 7.179 -3.430 1.00 0.00 C ATOM 1326 CG LYS A 83 -16.955 5.922 -4.096 1.00 0.00 C ATOM 1327 CD LYS A 83 -16.377 4.927 -3.083 1.00 0.00 C ATOM 1328 CE LYS A 83 -17.418 4.331 -2.129 1.00 0.00 C ATOM 1329 NZ LYS A 83 -18.389 3.461 -2.822 1.00 0.00 N ATOM 0 H LYS A 83 -15.606 8.397 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 83 -18.275 8.005 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.913 7.486 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.527 6.944 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.730 5.428 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.171 6.221 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -15.889 4.116 -3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.607 5.428 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.909 3.757 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.952 5.139 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -19.060 3.070 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.908 4.016 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.884 2.683 -3.292 1.00 0.00 H new ATOM 1343 N PRO A 84 -19.742 9.584 -3.817 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.539 10.647 -3.209 1.00 0.00 C ATOM 1345 C PRO A 84 -20.664 10.424 -1.690 1.00 0.00 C ATOM 1346 O PRO A 84 -21.767 10.269 -1.166 1.00 0.00 O ATOM 1347 CB PRO A 84 -21.879 10.582 -3.956 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.046 9.086 -4.214 1.00 0.00 C ATOM 1349 CD PRO A 84 -20.614 8.634 -4.498 1.00 0.00 C ATOM 0 HA PRO A 84 -20.096 11.639 -3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.696 10.984 -3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -21.853 11.153 -4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -22.470 8.571 -3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -22.707 8.892 -5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -20.446 7.621 -4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -20.415 8.623 -5.570 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.526 10.360 -0.985 1.00 0.00 N ATOM 1358 CA LYS A 85 -19.439 10.024 0.435 1.00 0.00 C ATOM 1359 C LYS A 85 -18.502 11.024 1.136 1.00 0.00 C ATOM 1360 O LYS A 85 -18.166 12.063 0.565 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.012 8.544 0.574 1.00 0.00 C ATOM 1362 CG LYS A 85 -19.999 7.518 -0.021 1.00 0.00 C ATOM 1363 CD LYS A 85 -21.333 7.389 0.732 1.00 0.00 C ATOM 1364 CE LYS A 85 -21.143 6.647 2.058 1.00 0.00 C ATOM 1365 NZ LYS A 85 -22.388 6.601 2.853 1.00 0.00 N ATOM 0 H LYS A 85 -18.615 10.547 -1.404 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.404 10.115 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.043 8.415 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -18.873 8.320 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -20.208 7.794 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.515 6.541 -0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.746 8.380 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.055 6.856 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -20.803 5.631 1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -20.361 7.137 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -22.214 6.090 3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -22.700 7.570 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -23.128 6.111 2.311 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.107 10.736 2.381 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.252 11.574 3.221 1.00 0.00 C ATOM 1381 C LEU A 86 -16.042 10.757 3.687 1.00 0.00 C ATOM 1382 O LEU A 86 -16.138 9.538 3.834 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.062 12.067 4.434 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.176 13.093 4.130 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.287 13.010 5.190 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.605 14.518 4.081 1.00 0.00 C ATOM 0 H LEU A 86 -18.388 9.874 2.849 1.00 0.00 H new ATOM 0 HA LEU A 86 -16.900 12.436 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.514 11.202 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.372 12.511 5.151 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.599 12.854 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.064 13.739 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -20.718 12.009 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -19.868 13.223 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.407 15.224 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.155 14.763 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -17.848 14.580 3.300 1.00 0.00 H new ATOM 1398 N GLN A 87 -14.917 11.431 3.947 1.00 0.00 N ATOM 1399 CA GLN A 87 -13.727 10.877 4.592 1.00 0.00 C ATOM 1400 C GLN A 87 -13.696 11.237 6.080 1.00 0.00 C ATOM 1401 O GLN A 87 -13.244 10.411 6.868 1.00 0.00 O ATOM 1402 CB GLN A 87 -12.457 11.426 3.918 1.00 0.00 C ATOM 1403 CG GLN A 87 -12.230 10.899 2.496 1.00 0.00 C ATOM 1404 CD GLN A 87 -11.550 9.530 2.476 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -10.326 9.439 2.466 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -12.330 8.451 2.461 1.00 0.00 N ATOM 0 H GLN A 87 -14.808 12.416 3.704 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.763 9.793 4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.516 12.514 3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.593 11.171 4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.188 10.832 1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.619 11.612 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.345 8.555 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.913 7.520 2.441 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.178 12.435 6.460 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.125 12.976 7.818 1.00 0.00 C ATOM 1417 C HIS A 88 -14.777 14.342 7.845 1.00 0.00 C ATOM 1418 O HIS A 88 -14.893 15.003 6.816 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.683 13.118 8.303 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.559 13.729 9.672 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.951 14.924 9.985 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -13.021 13.175 10.835 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -12.004 15.044 11.323 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.657 14.016 11.880 1.00 0.00 N ATOM 0 H HIS A 88 -14.630 13.070 5.802 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.653 12.284 8.474 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.214 12.134 8.311 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.129 13.730 7.591 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -11.540 15.589 9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.570 12.250 10.925 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.575 15.865 11.878 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.205 14.751 9.040 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.762 16.056 9.303 1.00 0.00 C ATOM 1434 C ILE A 89 -15.268 16.507 10.668 1.00 0.00 C ATOM 1435 O ILE A 89 -15.173 15.714 11.599 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.298 15.980 9.251 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.754 15.583 7.837 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.889 17.339 9.643 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.212 15.216 7.764 1.00 0.00 C ATOM 0 H ILE A 89 -15.168 14.157 9.869 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.446 16.780 8.552 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.650 15.224 9.953 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.560 16.410 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.156 14.739 7.493 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.977 17.287 9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.572 17.596 10.654 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.539 18.102 8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.468 14.946 6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.407 14.369 8.422 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.817 16.066 8.078 1.00 0.00 H new ATOM 1451 N ASP A 90 -15.056 17.811 10.797 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.876 18.470 12.076 1.00 0.00 C ATOM 1453 C ASP A 90 -15.937 19.546 12.261 1.00 0.00 C ATOM 1454 O ASP A 90 -16.593 19.975 11.306 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.466 19.044 12.191 1.00 0.00 C ATOM 1456 CG ASP A 90 -13.090 20.054 11.129 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -13.853 21.019 10.924 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.981 19.856 10.590 1.00 0.00 O ATOM 0 H ASP A 90 -15.004 18.447 10.001 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.995 17.738 12.875 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.362 19.514 13.169 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.752 18.221 12.155 1.00 0.00 H new ATOM 1463 N PHE A 91 -16.063 20.008 13.505 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.851 21.137 13.905 1.00 0.00 C ATOM 1465 C PHE A 91 -15.978 21.953 14.854 1.00 0.00 C ATOM 1466 O PHE A 91 -15.064 21.397 15.466 1.00 0.00 O ATOM 1467 CB PHE A 91 -18.108 20.595 14.590 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.704 19.292 14.067 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -19.495 19.275 12.904 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -18.496 18.089 14.765 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -20.067 18.068 12.463 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -19.079 16.892 14.329 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.854 16.874 13.173 1.00 0.00 C ATOM 0 H PHE A 91 -15.585 19.569 14.292 1.00 0.00 H new ATOM 0 HA PHE A 91 -17.166 21.772 13.077 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.879 20.457 15.647 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.879 21.363 14.529 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -19.663 20.187 12.351 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.878 18.088 15.650 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -20.675 18.059 11.571 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.927 15.982 14.891 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.289 15.949 12.824 1.00 0.00 H new ATOM 1483 N VAL A 92 -16.268 23.249 15.017 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.576 24.067 16.000 1.00 0.00 C ATOM 1485 C VAL A 92 -16.551 24.596 17.034 1.00 0.00 C ATOM 1486 O VAL A 92 -17.706 24.855 16.701 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.705 25.157 15.353 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -13.693 24.522 14.406 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.484 26.246 14.614 1.00 0.00 C ATOM 0 H VAL A 92 -16.977 23.746 14.478 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.867 23.432 16.532 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.205 25.658 16.182 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.081 25.301 13.952 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.054 23.836 14.963 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.220 23.974 13.625 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.786 26.969 14.191 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.069 25.795 13.812 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.153 26.751 15.311 1.00 0.00 H new ATOM 1499 N ARG A 93 -16.061 24.716 18.277 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.811 24.995 19.499 1.00 0.00 C ATOM 1501 C ARG A 93 -17.665 26.258 19.365 1.00 0.00 C ATOM 1502 O ARG A 93 -17.199 27.368 19.626 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.840 25.114 20.692 1.00 0.00 C ATOM 1504 CG ARG A 93 -15.249 23.783 21.181 1.00 0.00 C ATOM 1505 CD ARG A 93 -16.279 22.952 21.955 1.00 0.00 C ATOM 1506 NE ARG A 93 -15.641 21.815 22.626 1.00 0.00 N ATOM 1507 CZ ARG A 93 -16.251 20.885 23.378 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -17.571 20.929 23.594 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -15.526 19.898 23.915 1.00 0.00 N ATOM 0 H ARG A 93 -15.063 24.613 18.461 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.494 24.164 19.675 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -15.021 25.777 20.411 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.364 25.589 21.522 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.888 23.210 20.327 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.388 23.981 21.819 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -16.778 23.580 22.693 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -17.047 22.591 21.272 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.632 21.721 22.510 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -18.130 21.677 23.185 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -18.018 20.214 24.168 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.520 19.857 23.752 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.979 19.186 24.488 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.919 26.064 18.951 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.943 27.107 18.960 1.00 0.00 C ATOM 1525 C ALA A 94 -20.470 27.403 20.370 1.00 0.00 C ATOM 1526 O ALA A 94 -20.311 26.541 21.264 1.00 0.00 O ATOM 1527 CB ALA A 94 -21.081 26.703 18.036 1.00 0.00 C ATOM 1528 OXT ALA A 94 -21.065 28.492 20.519 1.00 0.00 O ATOM 0 H ALA A 94 -19.254 25.168 18.597 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.484 28.029 18.602 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.846 27.479 18.041 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.699 26.576 17.023 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.514 25.764 18.381 1.00 0.00 H new