USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 855 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 88 HIS : no HE2:sc= -2.26 K(o=-2.2,f=-19!) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0.0562! USER MOD Set 2.1: A 71 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-13!) USER MOD Set 2.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 60 SER OG : rot -16:sc= -1.18! USER MOD Set 3.2: A 62 LYS NZ :NH3+ -123:sc= 0.0869 (180deg=-1.99!) USER MOD Set 4.1: A 21 ASN : amide:sc= -2.83 K(o=-0.72,f=-10!) USER MOD Set 4.2: A 22 LYS NZ :NH3+ 144:sc= 0.214! (180deg=0.431) USER MOD Set 4.3: A 115 TYR OH : rot -130:sc= 1.9 USER MOD Set 5.1: A 9 GLN : amide:sc= -1.71! C(o=-2.2!,f=-10!) USER MOD Set 5.2: A 99 GLN : amide:sc= -0.531 X(o=-2.2,f=-1.9) USER MOD Single : A 5 SER OG : rot -18:sc= 0.719 USER MOD Single : A 8 THR OG1 : rot 180:sc=0.000686 USER MOD Single : A 12 ASN : amide:sc= 0.422 K(o=0.42,f=-1.2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -169:sc= 0 (180deg=-0.135) USER MOD Single : A 20 LYS NZ :NH3+ -106:sc= 0.857 (180deg=-2.04!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.63) USER MOD Single : A 30 CYS SG : rot 42:sc= 0.79 USER MOD Single : A 35 THR OG1 : rot 38:sc= 0.753 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= -0.518 (180deg=-1.15) USER MOD Single : A 43 TYR OH : rot 143:sc= 0.726 USER MOD Single : A 61 THR OG1 : rot -174:sc= -2.64! USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 1.13 (180deg=1.02) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0.655 (180deg=0.409) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 72 HIS : no HD1:sc= -9.82! C(o=-9.8!,f=-22!) USER MOD Single : A 74 MET CE :methyl 141:sc= -2.18 (180deg=-5.92!) USER MOD Single : A 77 HIS : no HD1:sc= -5.15! C(o=-5.1!,f=-4.7!) USER MOD Single : A 80 SER OG : rot 9:sc= -0.921! USER MOD Single : A 81 LYS NZ :NH3+ 137:sc= 0.558 (180deg=-2.87!) USER MOD Single : A 82 LYS NZ :NH3+ -111:sc= 0.0013 (180deg=-1.17!) USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= 0.582 (180deg=-0.174) USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 0.696 (180deg=0.213) USER MOD Single : A 94 SER OG : rot -55:sc= 0.986 USER MOD Single : A 104 ASN : amide:sc= -4.24! C(o=-4.2!,f=-12!) USER MOD Single : A 105 MET CE :methyl 151:sc= -5.09 (180deg=-6.93!) USER MOD Single : A 113 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.473) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 153:sc= -0.548 (180deg=-2.42!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 2.326 -2.510 15.953 1.00 0.00 N ATOM 43 CA SER A 5 1.443 -1.646 15.200 1.00 0.00 C ATOM 44 C SER A 5 2.029 -1.258 13.853 1.00 0.00 C ATOM 45 O SER A 5 1.513 -0.364 13.193 1.00 0.00 O ATOM 46 CB SER A 5 1.140 -0.398 16.030 1.00 0.00 C ATOM 47 OG SER A 5 2.238 -0.141 16.912 1.00 0.00 O ATOM 0 HA SER A 5 0.523 -2.193 14.996 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.976 0.458 15.375 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.224 -0.541 16.603 1.00 0.00 H new ATOM 0 HG SER A 5 2.788 -0.948 16.994 1.00 0.00 H new ATOM 53 N GLY A 6 3.120 -1.897 13.470 1.00 0.00 N ATOM 54 CA GLY A 6 3.818 -1.531 12.246 1.00 0.00 C ATOM 55 C GLY A 6 2.865 -1.426 11.070 1.00 0.00 C ATOM 56 O GLY A 6 2.607 -0.329 10.581 1.00 0.00 O ATOM 0 H GLY A 6 3.542 -2.669 13.985 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.328 -0.578 12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.585 -2.274 12.028 1.00 0.00 H new ATOM 60 N ASP A 7 2.276 -2.540 10.664 1.00 0.00 N ATOM 61 CA ASP A 7 1.314 -2.511 9.561 1.00 0.00 C ATOM 62 C ASP A 7 0.128 -1.634 9.899 1.00 0.00 C ATOM 63 O ASP A 7 -0.327 -0.860 9.062 1.00 0.00 O ATOM 64 CB ASP A 7 0.835 -3.920 9.173 1.00 0.00 C ATOM 65 CG ASP A 7 0.811 -4.841 10.368 1.00 0.00 C ATOM 66 OD1 ASP A 7 0.141 -4.531 11.320 1.00 0.00 O ATOM 67 OD2 ASP A 7 1.490 -5.850 10.316 1.00 0.00 O ATOM 0 H ASP A 7 2.439 -3.462 11.069 1.00 0.00 H new ATOM 0 HA ASP A 7 1.834 -2.088 8.701 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.163 -3.860 8.738 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.493 -4.332 8.407 1.00 0.00 H new ATOM 72 N THR A 8 -0.322 -1.690 11.140 1.00 0.00 N ATOM 73 CA THR A 8 -1.435 -0.857 11.557 1.00 0.00 C ATOM 74 C THR A 8 -1.074 0.611 11.367 1.00 0.00 C ATOM 75 O THR A 8 -1.802 1.366 10.722 1.00 0.00 O ATOM 76 CB THR A 8 -1.768 -1.113 13.031 1.00 0.00 C ATOM 77 OG1 THR A 8 -1.863 -2.515 13.266 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.100 -0.442 13.382 1.00 0.00 C ATOM 0 H THR A 8 0.060 -2.295 11.867 1.00 0.00 H new ATOM 0 HA THR A 8 -2.305 -1.103 10.949 1.00 0.00 H new ATOM 0 HB THR A 8 -0.978 -0.696 13.655 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.074 -2.675 14.209 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.335 -0.625 14.431 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.023 0.632 13.210 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.891 -0.854 12.756 1.00 0.00 H new ATOM 86 N GLN A 9 0.089 0.991 11.847 1.00 0.00 N ATOM 87 CA GLN A 9 0.567 2.342 11.666 1.00 0.00 C ATOM 88 C GLN A 9 0.845 2.614 10.211 1.00 0.00 C ATOM 89 O GLN A 9 0.376 3.594 9.640 1.00 0.00 O ATOM 90 CB GLN A 9 1.860 2.538 12.468 1.00 0.00 C ATOM 91 CG GLN A 9 1.561 3.297 13.751 1.00 0.00 C ATOM 92 CD GLN A 9 1.569 4.782 13.452 1.00 0.00 C ATOM 93 OE1 GLN A 9 2.635 5.379 13.308 1.00 0.00 O ATOM 94 NE2 GLN A 9 0.448 5.402 13.284 1.00 0.00 N ATOM 0 H GLN A 9 0.721 0.382 12.366 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.200 3.033 12.016 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.304 1.570 12.702 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.589 3.087 11.872 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.592 2.997 14.150 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.305 3.061 14.511 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.434 4.903 13.404 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.445 6.390 13.031 1.00 0.00 H new ATOM 103 N LEU A 10 1.594 1.737 9.611 1.00 0.00 N ATOM 104 CA LEU A 10 2.011 1.925 8.246 1.00 0.00 C ATOM 105 C LEU A 10 0.829 1.958 7.317 1.00 0.00 C ATOM 106 O LEU A 10 0.776 2.782 6.415 1.00 0.00 O ATOM 107 CB LEU A 10 3.034 0.886 7.827 1.00 0.00 C ATOM 108 CG LEU A 10 4.312 1.092 8.662 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.334 0.032 8.316 1.00 0.00 C ATOM 110 CD2 LEU A 10 4.912 2.484 8.406 1.00 0.00 C ATOM 0 H LEU A 10 1.932 0.878 10.045 1.00 0.00 H new ATOM 0 HA LEU A 10 2.502 2.896 8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.639 -0.118 7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.257 0.981 6.764 1.00 0.00 H new ATOM 0 HG LEU A 10 4.046 1.012 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.234 0.186 8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.922 -0.954 8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.584 0.099 7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.814 2.608 9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.162 2.584 7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.186 3.249 8.680 1.00 0.00 H new ATOM 122 N PHE A 11 -0.152 1.121 7.583 1.00 0.00 N ATOM 123 CA PHE A 11 -1.370 1.118 6.798 1.00 0.00 C ATOM 124 C PHE A 11 -2.005 2.500 6.812 1.00 0.00 C ATOM 125 O PHE A 11 -2.226 3.105 5.758 1.00 0.00 O ATOM 126 CB PHE A 11 -2.342 0.097 7.404 1.00 0.00 C ATOM 127 CG PHE A 11 -3.731 0.268 6.834 1.00 0.00 C ATOM 128 CD1 PHE A 11 -4.075 -0.317 5.614 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.676 1.019 7.541 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.364 -0.154 5.103 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.963 1.181 7.028 1.00 0.00 C ATOM 132 CZ PHE A 11 -6.308 0.595 5.813 1.00 0.00 C ATOM 0 H PHE A 11 -0.130 0.434 8.337 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.141 0.850 5.767 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.985 -0.913 7.205 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.372 0.216 8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.345 -0.895 5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.409 1.473 8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.632 -0.606 4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.692 1.761 7.574 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.306 0.719 5.418 1.00 0.00 H new ATOM 142 N ASN A 12 -2.180 3.057 8.005 1.00 0.00 N ATOM 143 CA ASN A 12 -2.725 4.406 8.135 1.00 0.00 C ATOM 144 C ASN A 12 -1.777 5.403 7.525 1.00 0.00 C ATOM 145 O ASN A 12 -2.191 6.350 6.847 1.00 0.00 O ATOM 146 CB ASN A 12 -2.923 4.763 9.606 1.00 0.00 C ATOM 147 CG ASN A 12 -4.031 3.927 10.201 1.00 0.00 C ATOM 148 OD1 ASN A 12 -5.214 4.242 10.030 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.733 2.863 10.874 1.00 0.00 N ATOM 0 H ASN A 12 -1.955 2.601 8.890 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.685 4.436 7.619 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.997 4.597 10.156 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.165 5.822 9.702 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.475 2.282 11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.756 2.605 11.014 1.00 0.00 H new ATOM 156 N ARG A 13 -0.501 5.209 7.803 1.00 0.00 N ATOM 157 CA ARG A 13 0.514 6.110 7.321 1.00 0.00 C ATOM 158 C ARG A 13 0.561 6.064 5.803 1.00 0.00 C ATOM 159 O ARG A 13 0.553 7.101 5.142 1.00 0.00 O ATOM 160 CB ARG A 13 1.866 5.699 7.905 1.00 0.00 C ATOM 161 CG ARG A 13 1.841 5.924 9.431 1.00 0.00 C ATOM 162 CD ARG A 13 3.095 5.324 10.066 1.00 0.00 C ATOM 163 NE ARG A 13 4.213 6.255 9.954 1.00 0.00 N ATOM 164 CZ ARG A 13 4.535 7.103 10.941 1.00 0.00 C ATOM 165 NH1 ARG A 13 3.880 7.081 12.078 1.00 0.00 N ATOM 166 NH2 ARG A 13 5.506 7.943 10.770 1.00 0.00 N ATOM 0 H ARG A 13 -0.148 4.432 8.362 1.00 0.00 H new ATOM 0 HA ARG A 13 0.282 7.129 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.070 4.652 7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.666 6.284 7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.787 6.991 9.649 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.950 5.465 9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.906 5.096 11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.345 4.383 9.575 1.00 0.00 H new ATOM 0 HE ARG A 13 4.767 6.261 9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.120 6.415 12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.131 7.730 12.824 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.020 7.956 9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.757 8.591 11.516 1.00 0.00 H new ATOM 180 N ALA A 14 0.518 4.848 5.261 1.00 0.00 N ATOM 181 CA ALA A 14 0.521 4.624 3.820 1.00 0.00 C ATOM 182 C ALA A 14 -0.762 5.110 3.182 1.00 0.00 C ATOM 183 O ALA A 14 -0.730 5.833 2.185 1.00 0.00 O ATOM 184 CB ALA A 14 0.704 3.134 3.510 1.00 0.00 C ATOM 0 H ALA A 14 0.480 3.990 5.811 1.00 0.00 H new ATOM 0 HA ALA A 14 1.354 5.191 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.704 2.984 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.652 2.790 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.113 2.567 3.955 1.00 0.00 H new ATOM 190 N VAL A 15 -1.893 4.704 3.746 1.00 0.00 N ATOM 191 CA VAL A 15 -3.170 5.068 3.176 1.00 0.00 C ATOM 192 C VAL A 15 -3.325 6.581 3.169 1.00 0.00 C ATOM 193 O VAL A 15 -3.802 7.165 2.191 1.00 0.00 O ATOM 194 CB VAL A 15 -4.329 4.381 3.929 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.753 5.194 5.156 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.523 4.203 2.990 1.00 0.00 C ATOM 0 H VAL A 15 -1.946 4.130 4.587 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.206 4.718 2.144 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.981 3.406 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.571 4.684 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.907 5.293 5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.083 6.184 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.338 3.718 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.853 5.178 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.229 3.586 2.141 1.00 0.00 H new ATOM 206 N SER A 16 -2.805 7.222 4.198 1.00 0.00 N ATOM 207 CA SER A 16 -2.824 8.657 4.256 1.00 0.00 C ATOM 208 C SER A 16 -2.018 9.239 3.096 1.00 0.00 C ATOM 209 O SER A 16 -2.454 10.178 2.430 1.00 0.00 O ATOM 210 CB SER A 16 -2.269 9.129 5.607 1.00 0.00 C ATOM 211 OG SER A 16 -2.291 10.555 5.678 1.00 0.00 O ATOM 0 H SER A 16 -2.367 6.767 4.999 1.00 0.00 H new ATOM 0 HA SER A 16 -3.851 9.011 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.862 8.708 6.419 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.249 8.767 5.736 1.00 0.00 H new ATOM 0 HG SER A 16 -1.936 10.845 6.544 1.00 0.00 H new ATOM 217 N MET A 17 -0.838 8.685 2.861 1.00 0.00 N ATOM 218 CA MET A 17 -0.007 9.181 1.783 1.00 0.00 C ATOM 219 C MET A 17 -0.617 8.909 0.414 1.00 0.00 C ATOM 220 O MET A 17 -0.499 9.729 -0.497 1.00 0.00 O ATOM 221 CB MET A 17 1.422 8.626 1.852 1.00 0.00 C ATOM 222 CG MET A 17 2.082 9.082 3.152 1.00 0.00 C ATOM 223 SD MET A 17 3.863 8.727 3.092 1.00 0.00 S ATOM 224 CE MET A 17 3.776 6.938 3.362 1.00 0.00 C ATOM 0 H MET A 17 -0.443 7.908 3.391 1.00 0.00 H new ATOM 0 HA MET A 17 0.045 10.261 1.917 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.404 7.537 1.803 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.001 8.974 0.996 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.919 10.150 3.299 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.628 8.570 4.001 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.776 6.550 3.555 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.135 6.730 4.219 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.365 6.456 2.475 1.00 0.00 H new ATOM 234 N VAL A 18 -1.147 7.703 0.227 1.00 0.00 N ATOM 235 CA VAL A 18 -1.648 7.296 -1.091 1.00 0.00 C ATOM 236 C VAL A 18 -2.974 7.947 -1.479 1.00 0.00 C ATOM 237 O VAL A 18 -3.131 8.386 -2.614 1.00 0.00 O ATOM 238 CB VAL A 18 -1.728 5.772 -1.227 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.320 5.177 -1.152 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.581 5.196 -0.099 1.00 0.00 C ATOM 0 H VAL A 18 -1.242 6.997 0.957 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.908 7.668 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.181 5.522 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.378 4.093 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.289 5.582 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.132 5.432 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.635 4.112 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.133 5.449 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.586 5.615 -0.152 1.00 0.00 H new ATOM 250 N GLU A 19 -3.938 7.981 -0.563 1.00 0.00 N ATOM 251 CA GLU A 19 -5.264 8.488 -0.921 1.00 0.00 C ATOM 252 C GLU A 19 -5.180 9.919 -1.388 1.00 0.00 C ATOM 253 O GLU A 19 -5.994 10.363 -2.185 1.00 0.00 O ATOM 254 CB GLU A 19 -6.223 8.460 0.268 1.00 0.00 C ATOM 255 CG GLU A 19 -6.601 7.039 0.680 1.00 0.00 C ATOM 256 CD GLU A 19 -7.600 7.095 1.837 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.877 8.189 2.315 1.00 0.00 O ATOM 258 OE2 GLU A 19 -8.092 6.062 2.227 1.00 0.00 O ATOM 0 H GLU A 19 -3.835 7.674 0.404 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.635 7.838 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.763 8.970 1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.127 9.014 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.037 6.507 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.711 6.486 0.980 1.00 0.00 H new ATOM 265 N LYS A 20 -4.327 10.677 -0.739 1.00 0.00 N ATOM 266 CA LYS A 20 -4.288 12.108 -0.956 1.00 0.00 C ATOM 267 C LYS A 20 -3.278 12.465 -2.038 1.00 0.00 C ATOM 268 O LYS A 20 -3.163 13.628 -2.433 1.00 0.00 O ATOM 269 CB LYS A 20 -3.981 12.836 0.360 1.00 0.00 C ATOM 270 CG LYS A 20 -4.625 12.060 1.537 1.00 0.00 C ATOM 271 CD LYS A 20 -6.134 11.840 1.314 1.00 0.00 C ATOM 272 CE LYS A 20 -6.679 10.947 2.450 1.00 0.00 C ATOM 273 NZ LYS A 20 -8.114 10.624 2.226 1.00 0.00 N ATOM 0 H LYS A 20 -3.652 10.330 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.268 12.436 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.903 12.910 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.369 13.854 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.129 11.096 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.470 12.611 2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.657 12.796 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.308 11.369 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.099 10.026 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.561 11.456 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.701 11.173 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.376 10.865 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.270 9.608 2.386 1.00 0.00 H new ATOM 287 N ASN A 21 -2.577 11.451 -2.546 1.00 0.00 N ATOM 288 CA ASN A 21 -1.616 11.645 -3.629 1.00 0.00 C ATOM 289 C ASN A 21 -2.332 12.112 -4.887 1.00 0.00 C ATOM 290 O ASN A 21 -3.341 11.529 -5.300 1.00 0.00 O ATOM 291 CB ASN A 21 -0.846 10.356 -3.916 1.00 0.00 C ATOM 292 CG ASN A 21 0.169 10.589 -5.020 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.196 10.602 -6.192 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.419 10.785 -4.726 1.00 0.00 N ATOM 0 H ASN A 21 -2.658 10.487 -2.224 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.903 12.408 -3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.340 10.017 -3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.539 9.567 -4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.098 10.950 -5.469 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.722 10.774 -3.752 1.00 0.00 H new ATOM 301 N LYS A 22 -1.844 13.194 -5.448 1.00 0.00 N ATOM 302 CA LYS A 22 -2.469 13.826 -6.591 1.00 0.00 C ATOM 303 C LYS A 22 -2.739 12.832 -7.694 1.00 0.00 C ATOM 304 O LYS A 22 -3.854 12.738 -8.202 1.00 0.00 O ATOM 305 CB LYS A 22 -1.576 14.970 -7.113 1.00 0.00 C ATOM 306 CG LYS A 22 -0.206 14.441 -7.641 1.00 0.00 C ATOM 307 CD LYS A 22 0.584 13.763 -6.507 1.00 0.00 C ATOM 308 CE LYS A 22 2.052 13.564 -6.916 1.00 0.00 C ATOM 309 NZ LYS A 22 2.193 12.400 -7.838 1.00 0.00 N ATOM 0 H LYS A 22 -0.999 13.664 -5.124 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.427 14.233 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.094 15.499 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.404 15.690 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.372 13.731 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.374 15.266 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.531 14.372 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.133 12.800 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.424 14.466 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.663 13.406 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.929 12.603 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.460 11.556 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.288 12.228 -8.321 1.00 0.00 H new ATOM 323 N ASP A 23 -1.732 12.080 -8.042 1.00 0.00 N ATOM 324 CA ASP A 23 -1.855 11.085 -9.074 1.00 0.00 C ATOM 325 C ASP A 23 -2.830 10.005 -8.682 1.00 0.00 C ATOM 326 O ASP A 23 -3.695 9.610 -9.471 1.00 0.00 O ATOM 327 CB ASP A 23 -0.494 10.467 -9.348 1.00 0.00 C ATOM 328 CG ASP A 23 0.270 11.293 -10.344 1.00 0.00 C ATOM 329 OD1 ASP A 23 0.060 11.098 -11.521 1.00 0.00 O ATOM 330 OD2 ASP A 23 1.044 12.124 -9.922 1.00 0.00 O ATOM 0 H ASP A 23 -0.805 12.138 -7.621 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.232 11.572 -9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.071 10.392 -8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.619 9.453 -9.728 1.00 0.00 H new ATOM 335 N ILE A 24 -2.690 9.529 -7.469 1.00 0.00 N ATOM 336 CA ILE A 24 -3.532 8.468 -6.979 1.00 0.00 C ATOM 337 C ILE A 24 -4.984 8.923 -6.912 1.00 0.00 C ATOM 338 O ILE A 24 -5.885 8.184 -7.311 1.00 0.00 O ATOM 339 CB ILE A 24 -3.037 7.927 -5.636 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.679 7.240 -5.846 1.00 0.00 C ATOM 341 CG2 ILE A 24 -4.032 6.891 -5.111 1.00 0.00 C ATOM 342 CD1 ILE A 24 -1.053 6.887 -4.500 1.00 0.00 C ATOM 0 H ILE A 24 -1.996 9.863 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.477 7.640 -7.685 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.941 8.746 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.808 6.337 -6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.013 7.898 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.683 6.503 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.008 7.358 -4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.116 6.072 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.091 6.401 -4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.906 7.796 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.714 6.211 -3.957 1.00 0.00 H new ATOM 354 N ARG A 25 -5.218 10.147 -6.440 1.00 0.00 N ATOM 355 CA ARG A 25 -6.591 10.639 -6.355 1.00 0.00 C ATOM 356 C ARG A 25 -7.266 10.526 -7.709 1.00 0.00 C ATOM 357 O ARG A 25 -8.375 9.990 -7.819 1.00 0.00 O ATOM 358 CB ARG A 25 -6.626 12.100 -5.884 1.00 0.00 C ATOM 359 CG ARG A 25 -6.343 12.173 -4.380 1.00 0.00 C ATOM 360 CD ARG A 25 -6.331 13.636 -3.911 1.00 0.00 C ATOM 361 NE ARG A 25 -7.644 14.247 -4.140 1.00 0.00 N ATOM 362 CZ ARG A 25 -7.901 15.527 -3.841 1.00 0.00 C ATOM 363 NH1 ARG A 25 -7.006 16.245 -3.229 1.00 0.00 N ATOM 364 NH2 ARG A 25 -9.060 16.044 -4.145 1.00 0.00 N ATOM 0 H ARG A 25 -4.500 10.797 -6.120 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.125 10.028 -5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.886 12.685 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.601 12.537 -6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.102 11.615 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.383 11.706 -4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.078 13.685 -2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.563 14.192 -4.448 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.388 13.677 -4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.108 15.833 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.202 17.220 -3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.767 15.474 -4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.259 17.018 -3.919 1.00 0.00 H new ATOM 378 N SER A 26 -6.556 10.911 -8.746 1.00 0.00 N ATOM 379 CA SER A 26 -7.045 10.723 -10.094 1.00 0.00 C ATOM 380 C SER A 26 -7.219 9.233 -10.405 1.00 0.00 C ATOM 381 O SER A 26 -8.238 8.827 -10.970 1.00 0.00 O ATOM 382 CB SER A 26 -6.103 11.380 -11.083 1.00 0.00 C ATOM 383 OG SER A 26 -6.186 12.793 -10.925 1.00 0.00 O ATOM 0 H SER A 26 -5.640 11.355 -8.682 1.00 0.00 H new ATOM 0 HA SER A 26 -8.023 11.196 -10.182 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.081 11.041 -10.914 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.368 11.098 -12.102 1.00 0.00 H new ATOM 0 HG SER A 26 -5.579 13.229 -11.559 1.00 0.00 H new ATOM 389 N LEU A 27 -6.240 8.418 -9.995 1.00 0.00 N ATOM 390 CA LEU A 27 -6.302 6.967 -10.213 1.00 0.00 C ATOM 391 C LEU A 27 -7.479 6.377 -9.471 1.00 0.00 C ATOM 392 O LEU A 27 -8.226 5.563 -10.014 1.00 0.00 O ATOM 393 CB LEU A 27 -5.015 6.279 -9.733 1.00 0.00 C ATOM 394 CG LEU A 27 -3.829 6.692 -10.610 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.528 6.167 -10.006 1.00 0.00 C ATOM 396 CD2 LEU A 27 -3.984 6.120 -12.015 1.00 0.00 C ATOM 0 H LEU A 27 -5.399 8.736 -9.513 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.416 6.798 -11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.818 6.546 -8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.140 5.197 -9.766 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.802 7.780 -10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.689 6.464 -10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.397 6.582 -9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.568 5.079 -9.945 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.134 6.422 -12.627 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.025 5.032 -11.962 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.904 6.497 -12.462 1.00 0.00 H new ATOM 408 N LEU A 28 -7.684 6.839 -8.245 1.00 0.00 N ATOM 409 CA LEU A 28 -8.800 6.374 -7.435 1.00 0.00 C ATOM 410 C LEU A 28 -10.066 7.056 -7.890 1.00 0.00 C ATOM 411 O LEU A 28 -11.118 6.933 -7.249 1.00 0.00 O ATOM 412 CB LEU A 28 -8.573 6.654 -5.933 1.00 0.00 C ATOM 413 CG LEU A 28 -7.292 5.962 -5.434 1.00 0.00 C ATOM 414 CD1 LEU A 28 -7.081 6.277 -3.948 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.390 4.442 -5.619 1.00 0.00 C ATOM 0 H LEU A 28 -7.092 7.535 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.884 5.295 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.499 7.729 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.430 6.300 -5.359 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.449 6.335 -6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.173 5.786 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.985 7.355 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.934 5.915 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.474 3.972 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.240 4.061 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.526 4.212 -6.676 1.00 0.00 H new ATOM 427 N GLN A 29 -9.948 7.831 -8.960 1.00 0.00 N ATOM 428 CA GLN A 29 -11.069 8.568 -9.493 1.00 0.00 C ATOM 429 C GLN A 29 -11.735 9.332 -8.362 1.00 0.00 C ATOM 430 O GLN A 29 -12.952 9.229 -8.148 1.00 0.00 O ATOM 431 CB GLN A 29 -12.082 7.607 -10.140 1.00 0.00 C ATOM 432 CG GLN A 29 -11.354 6.474 -10.891 1.00 0.00 C ATOM 433 CD GLN A 29 -10.537 7.010 -12.050 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.065 7.716 -12.913 1.00 0.00 O ATOM 435 NE2 GLN A 29 -9.278 6.719 -12.128 1.00 0.00 N ATOM 0 H GLN A 29 -9.077 7.961 -9.474 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.717 9.263 -10.255 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.731 7.184 -9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.722 8.156 -10.831 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.701 5.940 -10.201 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.084 5.754 -11.261 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.844 6.135 -11.413 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.720 7.074 -12.904 1.00 0.00 H new ATOM 444 N CYS A 30 -10.915 10.017 -7.565 1.00 0.00 N ATOM 445 CA CYS A 30 -11.424 10.739 -6.426 1.00 0.00 C ATOM 446 C CYS A 30 -12.313 11.859 -6.917 1.00 0.00 C ATOM 447 O CYS A 30 -11.892 13.017 -7.035 1.00 0.00 O ATOM 448 CB CYS A 30 -10.279 11.279 -5.559 1.00 0.00 C ATOM 449 SG CYS A 30 -10.950 12.347 -4.257 1.00 0.00 S ATOM 0 H CYS A 30 -9.905 10.080 -7.695 1.00 0.00 H new ATOM 0 HA CYS A 30 -12.007 10.064 -5.799 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.725 10.452 -5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.576 11.839 -6.176 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.019 11.802 -3.757 1.00 0.00 H new ATOM 455 N ASP A 31 -13.497 11.465 -7.336 1.00 0.00 N ATOM 456 CA ASP A 31 -14.473 12.361 -7.952 1.00 0.00 C ATOM 457 C ASP A 31 -15.404 12.917 -6.900 1.00 0.00 C ATOM 458 O ASP A 31 -16.396 13.584 -7.221 1.00 0.00 O ATOM 459 CB ASP A 31 -15.281 11.614 -9.032 1.00 0.00 C ATOM 460 CG ASP A 31 -14.383 11.169 -10.176 1.00 0.00 C ATOM 461 OD1 ASP A 31 -13.451 11.887 -10.493 1.00 0.00 O ATOM 462 OD2 ASP A 31 -14.641 10.119 -10.732 1.00 0.00 O ATOM 0 H ASP A 31 -13.820 10.501 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.939 13.186 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.769 10.746 -8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.069 12.262 -9.415 1.00 0.00 H new ATOM 467 N ASP A 32 -15.126 12.567 -5.648 1.00 0.00 N ATOM 468 CA ASP A 32 -15.942 12.964 -4.504 1.00 0.00 C ATOM 469 C ASP A 32 -16.698 14.255 -4.777 1.00 0.00 C ATOM 470 O ASP A 32 -16.116 15.343 -4.771 1.00 0.00 O ATOM 471 CB ASP A 32 -15.054 13.120 -3.260 1.00 0.00 C ATOM 472 CG ASP A 32 -14.720 11.763 -2.688 1.00 0.00 C ATOM 473 OD1 ASP A 32 -15.581 11.182 -2.077 1.00 0.00 O ATOM 474 OD2 ASP A 32 -13.599 11.311 -2.866 1.00 0.00 O ATOM 0 H ASP A 32 -14.320 11.994 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.680 12.181 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.137 13.649 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.567 13.723 -2.511 1.00 0.00 H new ATOM 479 N GLY A 33 -17.997 14.125 -5.013 1.00 0.00 N ATOM 480 CA GLY A 33 -18.849 15.271 -5.325 1.00 0.00 C ATOM 481 C GLY A 33 -19.845 14.927 -6.429 1.00 0.00 C ATOM 482 O GLY A 33 -21.057 14.856 -6.191 1.00 0.00 O ATOM 0 H GLY A 33 -18.489 13.232 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.387 15.584 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.232 16.114 -5.637 1.00 0.00 H new ATOM 486 N ILE A 34 -19.339 14.655 -7.624 1.00 0.00 N ATOM 487 CA ILE A 34 -20.202 14.331 -8.751 1.00 0.00 C ATOM 488 C ILE A 34 -21.015 13.083 -8.488 1.00 0.00 C ATOM 489 O ILE A 34 -22.216 13.052 -8.755 1.00 0.00 O ATOM 490 CB ILE A 34 -19.392 14.200 -10.055 1.00 0.00 C ATOM 491 CG1 ILE A 34 -20.290 13.680 -11.187 1.00 0.00 C ATOM 492 CG2 ILE A 34 -18.199 13.259 -9.864 1.00 0.00 C ATOM 493 CD1 ILE A 34 -21.332 14.733 -11.549 1.00 0.00 C ATOM 0 H ILE A 34 -18.342 14.652 -7.837 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.901 15.158 -8.873 1.00 0.00 H new ATOM 0 HB ILE A 34 -19.015 15.187 -10.321 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -19.685 13.439 -12.061 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.784 12.759 -10.877 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.643 13.183 -10.798 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.547 13.652 -9.084 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.557 12.271 -9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -21.965 14.357 -12.353 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.946 14.953 -10.676 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.830 15.643 -11.878 1.00 0.00 H new ATOM 505 N THR A 35 -20.397 12.100 -7.888 1.00 0.00 N ATOM 506 CA THR A 35 -21.105 10.904 -7.497 1.00 0.00 C ATOM 507 C THR A 35 -21.351 10.961 -5.988 1.00 0.00 C ATOM 508 O THR A 35 -21.285 9.942 -5.286 1.00 0.00 O ATOM 509 CB THR A 35 -20.325 9.619 -7.951 1.00 0.00 C ATOM 510 OG1 THR A 35 -20.151 8.681 -6.875 1.00 0.00 O ATOM 511 CG2 THR A 35 -18.943 9.991 -8.524 1.00 0.00 C ATOM 0 H THR A 35 -19.403 12.102 -7.658 1.00 0.00 H new ATOM 0 HA THR A 35 -22.072 10.849 -7.996 1.00 0.00 H new ATOM 0 HB THR A 35 -20.930 9.146 -8.724 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.958 8.668 -6.318 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.421 9.085 -8.832 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.071 10.647 -9.385 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.359 10.505 -7.760 1.00 0.00 H new ATOM 519 N GLY A 36 -21.437 12.189 -5.470 1.00 0.00 N ATOM 520 CA GLY A 36 -21.476 12.406 -4.038 1.00 0.00 C ATOM 521 C GLY A 36 -20.084 12.190 -3.514 1.00 0.00 C ATOM 522 O GLY A 36 -19.146 12.031 -4.312 1.00 0.00 O ATOM 0 H GLY A 36 -21.480 13.042 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -21.819 13.416 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.176 11.718 -3.564 1.00 0.00 H new ATOM 526 N LYS A 37 -19.913 12.156 -2.215 1.00 0.00 N ATOM 527 CA LYS A 37 -18.598 11.898 -1.686 1.00 0.00 C ATOM 528 C LYS A 37 -18.562 10.542 -1.016 1.00 0.00 C ATOM 529 O LYS A 37 -19.064 10.381 0.101 1.00 0.00 O ATOM 530 CB LYS A 37 -18.254 12.987 -0.673 1.00 0.00 C ATOM 531 CG LYS A 37 -18.059 14.326 -1.404 1.00 0.00 C ATOM 532 CD LYS A 37 -19.364 15.146 -1.391 1.00 0.00 C ATOM 533 CE LYS A 37 -19.838 15.399 0.048 1.00 0.00 C ATOM 534 NZ LYS A 37 -20.013 16.854 0.270 1.00 0.00 N ATOM 0 H LYS A 37 -20.647 12.300 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.870 11.902 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.051 13.076 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.346 12.721 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.261 14.895 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.748 14.143 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.205 16.098 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.138 14.614 -1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.779 14.879 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.112 14.998 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.334 17.020 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.107 17.340 0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.722 17.224 -0.395 1.00 0.00 H new ATOM 548 N GLU A 38 -17.748 9.669 -1.566 1.00 0.00 N ATOM 549 CA GLU A 38 -17.413 8.418 -0.928 1.00 0.00 C ATOM 550 C GLU A 38 -16.202 8.573 -0.074 1.00 0.00 C ATOM 551 O GLU A 38 -15.155 9.020 -0.560 1.00 0.00 O ATOM 552 CB GLU A 38 -17.204 7.293 -1.935 1.00 0.00 C ATOM 553 CG GLU A 38 -18.535 6.620 -2.243 1.00 0.00 C ATOM 554 CD GLU A 38 -19.027 5.858 -1.028 1.00 0.00 C ATOM 555 OE1 GLU A 38 -18.254 5.117 -0.462 1.00 0.00 O ATOM 556 OE2 GLU A 38 -20.173 6.016 -0.684 1.00 0.00 O ATOM 0 H GLU A 38 -17.299 9.808 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.262 8.143 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.766 7.690 -2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.501 6.562 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.271 7.369 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.421 5.940 -3.087 1.00 0.00 H new ATOM 563 N ARG A 39 -16.260 8.026 1.104 1.00 0.00 N ATOM 564 CA ARG A 39 -15.079 7.969 1.927 1.00 0.00 C ATOM 565 C ARG A 39 -14.164 6.904 1.376 1.00 0.00 C ATOM 566 O ARG A 39 -14.605 5.781 1.102 1.00 0.00 O ATOM 567 CB ARG A 39 -15.444 7.667 3.389 1.00 0.00 C ATOM 568 CG ARG A 39 -15.809 8.971 4.105 1.00 0.00 C ATOM 569 CD ARG A 39 -17.171 9.453 3.616 1.00 0.00 C ATOM 570 NE ARG A 39 -17.490 10.753 4.191 1.00 0.00 N ATOM 571 CZ ARG A 39 -18.374 11.575 3.627 1.00 0.00 C ATOM 572 NH1 ARG A 39 -18.975 11.231 2.517 1.00 0.00 N ATOM 573 NH2 ARG A 39 -18.625 12.728 4.177 1.00 0.00 N ATOM 0 H ARG A 39 -17.098 7.617 1.516 1.00 0.00 H new ATOM 0 HA ARG A 39 -14.575 8.935 1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.282 6.971 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -14.605 7.186 3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -15.833 8.813 5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.051 9.730 3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.170 9.521 2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.939 8.730 3.890 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.023 11.042 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -18.767 10.332 2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -19.651 11.862 2.087 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -18.146 12.999 5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -19.301 13.361 3.749 1.00 0.00 H new ATOM 587 N LEU A 40 -12.905 7.244 1.176 1.00 0.00 N ATOM 588 CA LEU A 40 -11.976 6.277 0.644 1.00 0.00 C ATOM 589 C LEU A 40 -11.774 5.208 1.688 1.00 0.00 C ATOM 590 O LEU A 40 -11.727 5.505 2.894 1.00 0.00 O ATOM 591 CB LEU A 40 -10.634 6.941 0.276 1.00 0.00 C ATOM 592 CG LEU A 40 -10.796 7.744 -1.034 1.00 0.00 C ATOM 593 CD1 LEU A 40 -11.636 9.000 -0.778 1.00 0.00 C ATOM 594 CD2 LEU A 40 -9.427 8.164 -1.571 1.00 0.00 C ATOM 0 H LEU A 40 -12.511 8.165 1.371 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.377 5.841 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.310 7.600 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.862 6.181 0.156 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.295 7.110 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.745 9.560 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.621 8.711 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.140 9.624 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.556 8.729 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.922 8.786 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.826 7.276 -1.770 1.00 0.00 H new ATOM 606 N LYS A 41 -11.825 3.971 1.271 1.00 0.00 N ATOM 607 CA LYS A 41 -11.765 2.874 2.214 1.00 0.00 C ATOM 608 C LYS A 41 -10.640 1.952 1.877 1.00 0.00 C ATOM 609 O LYS A 41 -10.397 1.676 0.705 1.00 0.00 O ATOM 610 CB LYS A 41 -13.097 2.119 2.253 1.00 0.00 C ATOM 611 CG LYS A 41 -14.191 3.050 2.807 1.00 0.00 C ATOM 612 CD LYS A 41 -14.435 2.743 4.294 1.00 0.00 C ATOM 613 CE LYS A 41 -13.267 3.264 5.156 1.00 0.00 C ATOM 614 NZ LYS A 41 -12.961 4.686 4.824 1.00 0.00 N ATOM 0 H LYS A 41 -11.907 3.694 0.293 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.581 3.285 3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.365 1.778 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.007 1.231 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.891 4.091 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.114 2.917 2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.367 3.206 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.547 1.668 4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.522 3.179 6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.383 2.648 4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.348 5.090 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.475 4.731 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.846 5.229 4.775 1.00 0.00 H new ATOM 628 N ALA A 42 -9.935 1.501 2.903 1.00 0.00 N ATOM 629 CA ALA A 42 -8.795 0.627 2.721 1.00 0.00 C ATOM 630 C ALA A 42 -8.846 -0.538 3.694 1.00 0.00 C ATOM 631 O ALA A 42 -9.317 -0.397 4.833 1.00 0.00 O ATOM 632 CB ALA A 42 -7.492 1.408 2.886 1.00 0.00 C ATOM 0 H ALA A 42 -10.137 1.730 3.876 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.832 0.225 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.645 0.736 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.449 2.205 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.451 1.840 3.886 1.00 0.00 H new ATOM 638 N TYR A 43 -8.414 -1.688 3.233 1.00 0.00 N ATOM 639 CA TYR A 43 -8.445 -2.909 4.019 1.00 0.00 C ATOM 640 C TYR A 43 -7.461 -3.931 3.482 1.00 0.00 C ATOM 641 O TYR A 43 -7.007 -3.822 2.340 1.00 0.00 O ATOM 642 CB TYR A 43 -9.870 -3.488 4.049 1.00 0.00 C ATOM 643 CG TYR A 43 -10.495 -3.421 2.668 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.050 -4.262 1.645 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.535 -2.518 2.419 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.643 -4.210 0.385 1.00 0.00 C ATOM 647 CE2 TYR A 43 -12.123 -2.461 1.155 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.678 -3.313 0.137 1.00 0.00 C ATOM 649 OH TYR A 43 -12.267 -3.273 -1.108 1.00 0.00 O ATOM 0 H TYR A 43 -8.028 -1.809 2.297 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.147 -2.665 5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.843 -4.522 4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.481 -2.931 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.243 -4.955 1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.883 -1.865 3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.299 -4.867 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.921 -1.760 0.962 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.228 -3.111 -1.010 1.00 0.00 H new ATOM 659 N GLY A 44 -7.163 -4.954 4.276 1.00 0.00 N ATOM 660 CA GLY A 44 -6.323 -6.026 3.816 1.00 0.00 C ATOM 661 C GLY A 44 -7.063 -6.729 2.723 1.00 0.00 C ATOM 662 O GLY A 44 -8.270 -6.561 2.601 1.00 0.00 O ATOM 0 H GLY A 44 -7.495 -5.053 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.372 -5.640 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.096 -6.713 4.631 1.00 0.00 H new ATOM 666 N GLU A 45 -6.364 -7.503 1.936 1.00 0.00 N ATOM 667 CA GLU A 45 -6.962 -8.226 0.830 1.00 0.00 C ATOM 668 C GLU A 45 -8.417 -8.622 1.168 1.00 0.00 C ATOM 669 O GLU A 45 -8.726 -9.000 2.322 1.00 0.00 O ATOM 670 CB GLU A 45 -6.111 -9.470 0.570 1.00 0.00 C ATOM 671 CG GLU A 45 -4.724 -9.042 0.054 1.00 0.00 C ATOM 672 CD GLU A 45 -3.799 -10.242 -0.119 1.00 0.00 C ATOM 673 OE1 GLU A 45 -4.202 -11.342 0.179 1.00 0.00 O ATOM 674 OE2 GLU A 45 -2.696 -10.041 -0.569 1.00 0.00 O ATOM 0 H GLU A 45 -5.361 -7.655 2.039 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.992 -7.599 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.007 -10.051 1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.601 -10.113 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.833 -8.524 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.277 -8.334 0.752 1.00 0.00 H new ATOM 881 N PRO A 57 -4.005 -10.081 5.307 1.00 0.00 N ATOM 882 CA PRO A 57 -4.773 -8.934 5.850 1.00 0.00 C ATOM 883 C PRO A 57 -3.844 -7.732 5.924 1.00 0.00 C ATOM 884 O PRO A 57 -2.689 -7.834 5.503 1.00 0.00 O ATOM 885 CB PRO A 57 -5.204 -9.376 7.255 1.00 0.00 C ATOM 886 CG PRO A 57 -4.721 -10.797 7.415 1.00 0.00 C ATOM 887 CD PRO A 57 -4.374 -11.305 6.012 1.00 0.00 C ATOM 0 HA PRO A 57 -5.635 -8.659 5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.770 -8.729 8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.287 -9.318 7.367 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.849 -10.838 8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.491 -11.418 7.872 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.554 -12.023 6.033 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.221 -11.803 5.541 1.00 0.00 H new ATOM 895 N ILE A 58 -4.326 -6.591 6.414 1.00 0.00 N ATOM 896 CA ILE A 58 -3.437 -5.434 6.558 1.00 0.00 C ATOM 897 C ILE A 58 -2.278 -5.841 7.475 1.00 0.00 C ATOM 898 O ILE A 58 -2.340 -5.656 8.696 1.00 0.00 O ATOM 899 CB ILE A 58 -4.194 -4.236 7.170 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.340 -3.822 6.246 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.242 -3.049 7.344 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.250 -2.815 6.954 1.00 0.00 C ATOM 0 H ILE A 58 -5.291 -6.441 6.709 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.065 -5.130 5.580 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.591 -4.531 8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.940 -3.382 5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.915 -4.700 5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.784 -2.208 7.776 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.424 -3.333 8.006 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.839 -2.760 6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.063 -2.527 6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.663 -3.269 7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.673 -1.931 7.225 1.00 0.00 H new ATOM 914 N VAL A 59 -1.334 -6.573 6.910 1.00 0.00 N ATOM 915 CA VAL A 59 -0.265 -7.176 7.677 1.00 0.00 C ATOM 916 C VAL A 59 1.094 -6.865 7.071 1.00 0.00 C ATOM 917 O VAL A 59 1.307 -7.059 5.861 1.00 0.00 O ATOM 918 CB VAL A 59 -0.468 -8.709 7.764 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.822 -9.017 8.409 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.425 -9.348 6.362 1.00 0.00 C ATOM 0 H VAL A 59 -1.289 -6.764 5.909 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.293 -6.752 8.681 1.00 0.00 H new ATOM 0 HB VAL A 59 0.338 -9.125 8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.960 -10.097 8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.852 -8.592 9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.619 -8.582 7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.570 -10.425 6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.217 -8.924 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.542 -9.148 5.900 1.00 0.00 H new ATOM 930 N SER A 60 2.024 -6.464 7.905 1.00 0.00 N ATOM 931 CA SER A 60 3.378 -6.234 7.462 1.00 0.00 C ATOM 932 C SER A 60 4.235 -7.420 7.860 1.00 0.00 C ATOM 933 O SER A 60 4.544 -7.598 9.048 1.00 0.00 O ATOM 934 CB SER A 60 3.933 -4.940 8.089 1.00 0.00 C ATOM 935 OG SER A 60 3.709 -4.943 9.507 1.00 0.00 O ATOM 0 H SER A 60 1.867 -6.290 8.898 1.00 0.00 H new ATOM 0 HA SER A 60 3.392 -6.121 6.378 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.000 -4.855 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.451 -4.073 7.639 1.00 0.00 H new ATOM 0 HG SER A 60 3.043 -5.626 9.731 1.00 0.00 H new ATOM 941 N THR A 61 4.664 -8.203 6.893 1.00 0.00 N ATOM 942 CA THR A 61 5.521 -9.315 7.201 1.00 0.00 C ATOM 943 C THR A 61 6.844 -8.768 7.688 1.00 0.00 C ATOM 944 O THR A 61 7.318 -7.749 7.179 1.00 0.00 O ATOM 945 CB THR A 61 5.724 -10.198 5.966 1.00 0.00 C ATOM 946 OG1 THR A 61 6.238 -9.411 4.909 1.00 0.00 O ATOM 947 CG2 THR A 61 4.386 -10.798 5.536 1.00 0.00 C ATOM 0 H THR A 61 4.436 -8.089 5.905 1.00 0.00 H new ATOM 0 HA THR A 61 5.066 -9.934 7.974 1.00 0.00 H new ATOM 0 HB THR A 61 6.422 -11.000 6.207 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.281 -9.949 4.091 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.534 -11.426 4.657 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.980 -11.401 6.348 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.688 -9.996 5.296 1.00 0.00 H new ATOM 955 N LYS A 62 7.378 -9.353 8.732 1.00 0.00 N ATOM 956 CA LYS A 62 8.599 -8.843 9.310 1.00 0.00 C ATOM 957 C LYS A 62 9.754 -9.712 8.880 1.00 0.00 C ATOM 958 O LYS A 62 9.833 -10.874 9.278 1.00 0.00 O ATOM 959 CB LYS A 62 8.512 -8.863 10.845 1.00 0.00 C ATOM 960 CG LYS A 62 7.284 -8.079 11.348 1.00 0.00 C ATOM 961 CD LYS A 62 7.412 -6.589 11.013 1.00 0.00 C ATOM 962 CE LYS A 62 6.218 -5.834 11.620 1.00 0.00 C ATOM 963 NZ LYS A 62 4.956 -6.262 10.960 1.00 0.00 N ATOM 0 H LYS A 62 6.992 -10.175 9.196 1.00 0.00 H new ATOM 0 HA LYS A 62 8.747 -7.818 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.456 -9.894 11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.419 -8.432 11.268 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.379 -8.482 10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.183 -8.206 12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.348 -6.193 11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.437 -6.447 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.161 -6.028 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.356 -4.760 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.477 -5.432 10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.173 -6.939 10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.334 -6.714 11.660 1.00 0.00 H new ATOM 977 N LYS A 63 10.665 -9.153 8.110 1.00 0.00 N ATOM 978 CA LYS A 63 11.859 -9.879 7.718 1.00 0.00 C ATOM 979 C LYS A 63 13.093 -9.165 8.213 1.00 0.00 C ATOM 980 O LYS A 63 13.484 -8.135 7.656 1.00 0.00 O ATOM 981 CB LYS A 63 11.969 -10.025 6.203 1.00 0.00 C ATOM 982 CG LYS A 63 10.823 -10.876 5.647 1.00 0.00 C ATOM 983 CD LYS A 63 11.329 -11.637 4.413 1.00 0.00 C ATOM 984 CE LYS A 63 11.862 -10.661 3.346 1.00 0.00 C ATOM 985 NZ LYS A 63 13.026 -11.272 2.653 1.00 0.00 N ATOM 0 H LYS A 63 10.604 -8.203 7.744 1.00 0.00 H new ATOM 0 HA LYS A 63 11.783 -10.871 8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.954 -9.040 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.924 -10.484 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.470 -11.576 6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.977 -10.243 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.119 -12.329 4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.521 -12.235 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.077 -10.429 2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.155 -9.720 3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.133 -10.844 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.888 -11.105 3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.872 -12.296 2.553 1.00 0.00 H new ATOM 999 N LEU A 64 13.782 -9.768 9.145 1.00 0.00 N ATOM 1000 CA LEU A 64 15.054 -9.237 9.557 1.00 0.00 C ATOM 1001 C LEU A 64 16.127 -9.970 8.788 1.00 0.00 C ATOM 1002 O LEU A 64 16.550 -11.069 9.162 1.00 0.00 O ATOM 1003 CB LEU A 64 15.228 -9.376 11.074 1.00 0.00 C ATOM 1004 CG LEU A 64 16.493 -8.639 11.557 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.566 -7.235 10.944 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.393 -8.472 13.064 1.00 0.00 C ATOM 0 H LEU A 64 13.489 -10.617 9.628 1.00 0.00 H new ATOM 0 HA LEU A 64 15.122 -8.171 9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.352 -8.973 11.582 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.294 -10.431 11.341 1.00 0.00 H new ATOM 0 HG LEU A 64 17.372 -9.213 11.265 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.465 -6.730 11.297 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.596 -7.314 9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.688 -6.662 11.242 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.278 -7.952 13.432 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.503 -7.891 13.307 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.326 -9.453 13.535 1.00 0.00 H new ATOM 1018 N ASP A 65 16.394 -9.452 7.604 1.00 0.00 N ATOM 1019 CA ASP A 65 17.270 -10.097 6.638 1.00 0.00 C ATOM 1020 C ASP A 65 18.696 -9.635 6.805 1.00 0.00 C ATOM 1021 O ASP A 65 19.013 -8.848 7.704 1.00 0.00 O ATOM 1022 CB ASP A 65 16.797 -9.793 5.203 1.00 0.00 C ATOM 1023 CG ASP A 65 16.062 -10.980 4.606 1.00 0.00 C ATOM 1024 OD1 ASP A 65 16.688 -12.005 4.428 1.00 0.00 O ATOM 1025 OD2 ASP A 65 14.889 -10.849 4.309 1.00 0.00 O ATOM 0 H ASP A 65 16.007 -8.565 7.281 1.00 0.00 H new ATOM 0 HA ASP A 65 17.229 -11.172 6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.142 -8.922 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.655 -9.542 4.580 1.00 0.00 H new ATOM 1030 N LYS A 66 19.519 -10.029 5.855 1.00 0.00 N ATOM 1031 CA LYS A 66 20.909 -9.587 5.764 1.00 0.00 C ATOM 1032 C LYS A 66 20.974 -8.062 5.769 1.00 0.00 C ATOM 1033 O LYS A 66 22.026 -7.465 5.994 1.00 0.00 O ATOM 1034 CB LYS A 66 21.527 -10.123 4.466 1.00 0.00 C ATOM 1035 CG LYS A 66 20.562 -9.862 3.292 1.00 0.00 C ATOM 1036 CD LYS A 66 19.765 -11.141 2.965 1.00 0.00 C ATOM 1037 CE LYS A 66 18.513 -10.775 2.156 1.00 0.00 C ATOM 1038 NZ LYS A 66 17.571 -11.922 2.144 1.00 0.00 N ATOM 0 H LYS A 66 19.245 -10.672 5.112 1.00 0.00 H new ATOM 0 HA LYS A 66 21.464 -9.968 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 66 22.485 -9.637 4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.724 -11.191 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.877 -9.053 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.123 -9.540 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.387 -11.834 2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.479 -11.649 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.030 -9.900 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.792 -10.511 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.677 -11.632 1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.988 -12.708 1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.387 -12.231 3.120 1.00 0.00 H new ATOM 1052 N GLU A 67 19.826 -7.449 5.565 1.00 0.00 N ATOM 1053 CA GLU A 67 19.701 -6.012 5.581 1.00 0.00 C ATOM 1054 C GLU A 67 20.076 -5.483 6.960 1.00 0.00 C ATOM 1055 O GLU A 67 20.582 -4.361 7.098 1.00 0.00 O ATOM 1056 CB GLU A 67 18.256 -5.624 5.226 1.00 0.00 C ATOM 1057 CG GLU A 67 17.987 -5.974 3.750 1.00 0.00 C ATOM 1058 CD GLU A 67 16.551 -5.646 3.371 1.00 0.00 C ATOM 1059 OE1 GLU A 67 15.659 -6.074 4.068 1.00 0.00 O ATOM 1060 OE2 GLU A 67 16.361 -4.984 2.374 1.00 0.00 O ATOM 0 H GLU A 67 18.950 -7.940 5.383 1.00 0.00 H new ATOM 0 HA GLU A 67 20.374 -5.572 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 67 17.555 -6.154 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.101 -4.558 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 67 18.673 -5.420 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 67 18.179 -7.034 3.582 1.00 0.00 H new ATOM 1067 N GLY A 68 19.772 -6.275 7.984 1.00 0.00 N ATOM 1068 CA GLY A 68 20.060 -5.902 9.362 1.00 0.00 C ATOM 1069 C GLY A 68 18.950 -5.042 9.909 1.00 0.00 C ATOM 1070 O GLY A 68 18.885 -4.771 11.113 1.00 0.00 O ATOM 0 H GLY A 68 19.323 -7.185 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.172 -6.797 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.006 -5.363 9.411 1.00 0.00 H new ATOM 1074 N ARG A 69 18.035 -4.674 9.033 1.00 0.00 N ATOM 1075 CA ARG A 69 16.871 -3.908 9.415 1.00 0.00 C ATOM 1076 C ARG A 69 15.658 -4.768 9.118 1.00 0.00 C ATOM 1077 O ARG A 69 15.630 -5.442 8.087 1.00 0.00 O ATOM 1078 CB ARG A 69 16.788 -2.615 8.582 1.00 0.00 C ATOM 1079 CG ARG A 69 18.186 -2.026 8.338 1.00 0.00 C ATOM 1080 CD ARG A 69 18.914 -1.749 9.660 1.00 0.00 C ATOM 1081 NE ARG A 69 19.804 -0.602 9.497 1.00 0.00 N ATOM 1082 CZ ARG A 69 20.926 -0.655 8.775 1.00 0.00 C ATOM 1083 NH1 ARG A 69 21.278 -1.772 8.184 1.00 0.00 N ATOM 1084 NH2 ARG A 69 21.658 0.410 8.657 1.00 0.00 N ATOM 0 H ARG A 69 18.080 -4.899 8.039 1.00 0.00 H new ATOM 0 HA ARG A 69 16.922 -3.636 10.469 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.306 -2.824 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.167 -1.884 9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.774 -2.718 7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.099 -1.101 7.768 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.191 -1.552 10.451 1.00 0.00 H new ATOM 0 HD3 ARG A 69 19.486 -2.626 9.963 1.00 0.00 H new ATOM 0 HE ARG A 69 19.558 0.276 9.954 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.694 -2.603 8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 69 22.136 -1.809 7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 69 21.374 1.277 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 69 22.517 0.380 8.108 1.00 0.00 H new ATOM 1098 N THR A 70 14.701 -4.814 10.019 1.00 0.00 N ATOM 1099 CA THR A 70 13.544 -5.669 9.795 1.00 0.00 C ATOM 1100 C THR A 70 12.719 -5.106 8.643 1.00 0.00 C ATOM 1101 O THR A 70 12.246 -3.984 8.711 1.00 0.00 O ATOM 1102 CB THR A 70 12.697 -5.772 11.075 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.552 -5.934 12.199 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.751 -6.973 10.985 1.00 0.00 C ATOM 0 H THR A 70 14.693 -4.287 10.892 1.00 0.00 H new ATOM 0 HA THR A 70 13.879 -6.673 9.535 1.00 0.00 H new ATOM 0 HB THR A 70 12.111 -4.860 11.185 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.012 -5.998 13.014 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.156 -7.037 11.896 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.089 -6.851 10.127 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.333 -7.887 10.867 1.00 0.00 H new ATOM 1112 N HIS A 71 12.575 -5.886 7.591 1.00 0.00 N ATOM 1113 CA HIS A 71 11.855 -5.463 6.394 1.00 0.00 C ATOM 1114 C HIS A 71 10.367 -5.707 6.574 1.00 0.00 C ATOM 1115 O HIS A 71 9.963 -6.811 6.960 1.00 0.00 O ATOM 1116 CB HIS A 71 12.360 -6.279 5.194 1.00 0.00 C ATOM 1117 CG HIS A 71 12.238 -5.511 3.894 1.00 0.00 C ATOM 1118 ND1 HIS A 71 13.354 -5.211 3.120 1.00 0.00 N ATOM 1119 CD2 HIS A 71 11.145 -5.035 3.180 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.917 -4.592 2.001 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.581 -4.461 1.985 1.00 0.00 N ATOM 0 H HIS A 71 12.952 -6.832 7.536 1.00 0.00 H new ATOM 0 HA HIS A 71 12.026 -4.400 6.223 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.402 -6.555 5.356 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.792 -7.207 5.122 1.00 0.00 H new ATOM 0 HD2 HIS A 71 10.116 -5.099 3.501 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.567 -4.243 1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.008 -4.034 1.257 1.00 0.00 H new ATOM 1130 N HIS A 72 9.576 -4.685 6.302 1.00 0.00 N ATOM 1131 CA HIS A 72 8.123 -4.761 6.396 1.00 0.00 C ATOM 1132 C HIS A 72 7.548 -4.857 4.994 1.00 0.00 C ATOM 1133 O HIS A 72 7.704 -3.927 4.218 1.00 0.00 O ATOM 1134 CB HIS A 72 7.571 -3.459 7.016 1.00 0.00 C ATOM 1135 CG HIS A 72 7.736 -3.442 8.505 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.859 -2.750 9.323 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.678 -3.991 9.343 1.00 0.00 C ATOM 1138 CE1 HIS A 72 7.284 -2.897 10.586 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.384 -3.645 10.654 1.00 0.00 N ATOM 0 H HIS A 72 9.922 -3.772 6.008 1.00 0.00 H new ATOM 0 HA HIS A 72 7.853 -5.624 7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.087 -2.602 6.583 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.515 -3.355 6.765 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.516 -4.597 9.030 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.794 -2.462 11.444 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.901 -3.908 11.493 1.00 0.00 H new ATOM 1148 N TYR A 73 6.791 -5.906 4.712 1.00 0.00 N ATOM 1149 CA TYR A 73 6.080 -6.001 3.439 1.00 0.00 C ATOM 1150 C TYR A 73 4.597 -5.851 3.702 1.00 0.00 C ATOM 1151 O TYR A 73 3.946 -6.786 4.200 1.00 0.00 O ATOM 1152 CB TYR A 73 6.353 -7.339 2.757 1.00 0.00 C ATOM 1153 CG TYR A 73 7.837 -7.482 2.530 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.653 -7.958 3.559 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.396 -7.143 1.299 1.00 0.00 C ATOM 1156 CE1 TYR A 73 10.022 -8.094 3.357 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.768 -7.280 1.098 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.582 -7.756 2.124 1.00 0.00 C ATOM 1159 OH TYR A 73 11.935 -7.888 1.919 1.00 0.00 O ATOM 0 H TYR A 73 6.651 -6.699 5.339 1.00 0.00 H new ATOM 0 HA TYR A 73 6.429 -5.210 2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.986 -8.158 3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.820 -7.393 1.808 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.220 -8.221 4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.767 -6.775 0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.652 -8.461 4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.202 -7.017 0.145 1.00 0.00 H new ATOM 0 HH TYR A 73 12.156 -7.609 1.006 1.00 0.00 H new ATOM 1169 N MET A 74 4.081 -4.656 3.476 1.00 0.00 N ATOM 1170 CA MET A 74 2.697 -4.353 3.795 1.00 0.00 C ATOM 1171 C MET A 74 1.902 -4.139 2.531 1.00 0.00 C ATOM 1172 O MET A 74 2.276 -3.318 1.692 1.00 0.00 O ATOM 1173 CB MET A 74 2.627 -3.089 4.664 1.00 0.00 C ATOM 1174 CG MET A 74 1.186 -2.826 5.114 1.00 0.00 C ATOM 1175 SD MET A 74 1.150 -1.344 6.152 1.00 0.00 S ATOM 1176 CE MET A 74 1.558 -0.140 4.859 1.00 0.00 C ATOM 0 H MET A 74 4.601 -3.877 3.072 1.00 0.00 H new ATOM 0 HA MET A 74 2.274 -5.195 4.342 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.271 -3.204 5.536 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.001 -2.233 4.102 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.540 -2.693 4.246 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.803 -3.683 5.669 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.971 0.766 5.008 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.619 0.103 4.910 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.329 -0.564 3.881 1.00 0.00 H new ATOM 1186 N ARG A 75 0.753 -4.791 2.448 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.162 -4.578 1.343 1.00 0.00 C ATOM 1188 C ARG A 75 -1.572 -4.410 1.852 1.00 0.00 C ATOM 1189 O ARG A 75 -1.970 -5.049 2.830 1.00 0.00 O ATOM 1190 CB ARG A 75 -0.136 -5.734 0.341 1.00 0.00 C ATOM 1191 CG ARG A 75 -0.201 -7.082 1.076 1.00 0.00 C ATOM 1192 CD ARG A 75 -0.576 -8.170 0.073 1.00 0.00 C ATOM 1193 NE ARG A 75 0.375 -8.209 -1.032 1.00 0.00 N ATOM 1194 CZ ARG A 75 0.176 -8.988 -2.098 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -0.867 -9.768 -2.152 1.00 0.00 N ATOM 1196 NH2 ARG A 75 1.024 -8.962 -3.085 1.00 0.00 N ATOM 0 H ARG A 75 0.433 -5.473 3.136 1.00 0.00 H new ATOM 0 HA ARG A 75 0.167 -3.672 0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.977 -5.647 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.773 -5.683 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.761 -7.308 1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.937 -7.039 1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.599 -9.138 0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.579 -7.986 -0.312 1.00 0.00 H new ATOM 0 HE ARG A 75 1.212 -7.627 -0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.533 -9.784 -1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.018 -10.362 -2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.837 -8.348 -3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.875 -9.556 -3.901 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.333 -3.600 1.160 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.727 -3.411 1.481 1.00 0.00 C ATOM 1212 C PHE A 76 -4.525 -3.024 0.254 1.00 0.00 C ATOM 1213 O PHE A 76 -3.968 -2.534 -0.737 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.916 -2.421 2.644 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.288 -1.073 2.336 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -1.937 -0.851 2.648 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -4.051 -0.045 1.761 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.350 0.393 2.384 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.460 1.206 1.502 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.111 1.421 1.815 1.00 0.00 C ATOM 0 H PHE A 76 -2.007 -3.055 0.362 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.121 -4.367 1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.980 -2.291 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.470 -2.833 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.350 -1.641 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.090 -0.213 1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.309 0.559 2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.046 2.000 1.062 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.658 2.381 1.617 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.816 -3.258 0.318 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.719 -2.964 -0.772 1.00 0.00 C ATOM 1232 C HIS A 77 -7.579 -1.772 -0.400 1.00 0.00 C ATOM 1233 O HIS A 77 -7.945 -1.610 0.769 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.611 -4.184 -1.060 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.892 -5.145 -1.974 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.896 -5.995 -1.521 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.021 -5.402 -3.319 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.466 -6.719 -2.580 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.124 -6.398 -3.699 1.00 0.00 N ATOM 0 H HIS A 77 -6.273 -3.662 1.136 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.143 -2.732 -1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.871 -4.683 -0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.545 -3.861 -1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.714 -4.906 -3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.687 -7.465 -2.528 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.997 -6.796 -4.629 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.869 -0.922 -1.361 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.686 0.248 -1.093 1.00 0.00 C ATOM 1250 C VAL A 78 -9.785 0.371 -2.126 1.00 0.00 C ATOM 1251 O VAL A 78 -9.645 -0.109 -3.250 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.830 1.535 -1.048 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.525 1.271 -0.291 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.512 2.026 -2.467 1.00 0.00 C ATOM 0 H VAL A 78 -7.556 -1.015 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.143 0.122 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.400 2.307 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.929 2.183 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.752 0.956 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.964 0.485 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.909 2.932 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.959 1.255 -3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.441 2.240 -2.995 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.838 1.065 -1.771 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.947 1.269 -2.680 1.00 0.00 C ATOM 1266 C GLU A 79 -11.957 2.671 -3.249 1.00 0.00 C ATOM 1267 O GLU A 79 -12.285 3.649 -2.554 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.262 0.951 -1.981 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.339 -0.565 -1.772 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.534 -0.947 -0.927 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.271 -0.076 -0.526 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.696 -2.122 -0.691 1.00 0.00 O ATOM 0 H GLU A 79 -10.954 1.501 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.823 0.586 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.319 1.470 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.104 1.295 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.401 -1.064 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.425 -0.914 -1.291 1.00 0.00 H new ATOM 1279 N SER A 80 -11.700 2.751 -4.542 1.00 0.00 N ATOM 1280 CA SER A 80 -11.796 3.995 -5.267 1.00 0.00 C ATOM 1281 C SER A 80 -13.219 4.189 -5.724 1.00 0.00 C ATOM 1282 O SER A 80 -14.064 3.325 -5.506 1.00 0.00 O ATOM 1283 CB SER A 80 -10.819 4.026 -6.445 1.00 0.00 C ATOM 1284 OG SER A 80 -10.892 2.821 -7.199 1.00 0.00 O ATOM 0 H SER A 80 -11.420 1.954 -5.114 1.00 0.00 H new ATOM 0 HA SER A 80 -11.520 4.818 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.046 4.876 -7.088 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.803 4.168 -6.076 1.00 0.00 H new ATOM 0 HG SER A 80 -11.651 2.285 -6.887 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.510 5.336 -6.271 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.875 5.634 -6.621 1.00 0.00 C ATOM 1292 C LYS A 81 -15.374 4.670 -7.683 1.00 0.00 C ATOM 1293 O LYS A 81 -16.568 4.397 -7.773 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.992 7.066 -7.136 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.475 8.048 -6.076 1.00 0.00 C ATOM 1296 CD LYS A 81 -15.225 7.849 -4.760 1.00 0.00 C ATOM 1297 CE LYS A 81 -15.087 9.110 -3.902 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.189 8.873 -2.742 1.00 0.00 N ATOM 0 H LYS A 81 -12.835 6.071 -6.482 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.487 5.525 -5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.420 7.178 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.031 7.291 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.407 7.897 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.604 9.072 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.277 7.642 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.824 6.987 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.694 9.925 -4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.070 9.422 -3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.553 9.687 -2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.759 8.751 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.626 8.015 -2.909 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.480 4.253 -8.563 1.00 0.00 N ATOM 1313 CA LYS A 82 -14.887 3.428 -9.684 1.00 0.00 C ATOM 1314 C LYS A 82 -14.350 1.992 -9.571 1.00 0.00 C ATOM 1315 O LYS A 82 -14.824 1.094 -10.273 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.421 4.078 -10.999 1.00 0.00 C ATOM 1317 CG LYS A 82 -14.751 5.592 -10.996 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.269 5.827 -10.929 1.00 0.00 C ATOM 1319 CE LYS A 82 -16.546 7.307 -10.615 1.00 0.00 C ATOM 1320 NZ LYS A 82 -15.815 8.167 -11.583 1.00 0.00 N ATOM 0 H LYS A 82 -13.484 4.468 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.975 3.361 -9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.348 3.933 -11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.909 3.594 -11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.268 6.071 -10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.347 6.057 -11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.732 5.552 -11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.712 5.192 -10.162 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.616 7.507 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.231 7.539 -9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.050 8.671 -11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.411 7.575 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.472 8.857 -11.999 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.299 1.799 -8.771 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.632 0.488 -8.667 1.00 0.00 C ATOM 1336 C LYS A 83 -12.141 0.218 -7.256 1.00 0.00 C ATOM 1337 O LYS A 83 -12.188 1.090 -6.384 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.440 0.400 -9.645 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.930 0.581 -11.086 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.805 -0.608 -11.505 1.00 0.00 C ATOM 1341 CE LYS A 83 -13.552 -0.249 -12.793 1.00 0.00 C ATOM 1342 NZ LYS A 83 -14.949 0.128 -12.459 1.00 0.00 N ATOM 0 H LYS A 83 -12.889 2.527 -8.186 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.374 -0.267 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.704 1.166 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.943 -0.564 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.499 1.507 -11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.077 0.668 -11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.188 -1.493 -11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.514 -0.851 -10.714 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.051 0.576 -13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.545 -1.096 -13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.343 0.712 -13.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.524 -0.732 -12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.960 0.669 -11.571 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.560 -0.949 -7.076 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.897 -1.307 -5.837 1.00 0.00 C ATOM 1358 C ILE A 84 -9.398 -1.358 -6.128 1.00 0.00 C ATOM 1359 O ILE A 84 -8.990 -1.931 -7.135 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.400 -2.679 -5.376 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.922 -2.624 -5.195 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.750 -3.050 -4.040 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.472 -4.038 -5.064 1.00 0.00 C ATOM 0 H ILE A 84 -11.533 -1.680 -7.787 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.104 -0.584 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.140 -3.427 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.172 -2.042 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.382 -2.121 -6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.112 -4.026 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.667 -3.086 -4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.008 -2.302 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.554 -3.997 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.235 -4.606 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.022 -4.525 -4.199 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.601 -0.662 -5.333 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.164 -0.545 -5.600 1.00 0.00 C ATOM 1377 C ALA A 85 -6.336 -1.308 -4.579 1.00 0.00 C ATOM 1378 O ALA A 85 -6.743 -1.472 -3.432 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.734 0.928 -5.628 1.00 0.00 C ATOM 0 H ALA A 85 -8.917 -0.168 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.982 -0.988 -6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.664 0.991 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.281 1.452 -6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.951 1.389 -4.664 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.157 -1.731 -5.006 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.212 -2.445 -4.154 1.00 0.00 C ATOM 1387 C LEU A 86 -2.986 -1.588 -3.882 1.00 0.00 C ATOM 1388 O LEU A 86 -2.387 -1.044 -4.805 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.809 -3.781 -4.820 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.538 -4.361 -4.162 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.801 -4.705 -2.702 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -2.107 -5.625 -4.908 1.00 0.00 C ATOM 0 H LEU A 86 -4.824 -1.589 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.691 -2.661 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.627 -4.496 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.633 -3.624 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.748 -3.612 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.894 -5.112 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.098 -3.805 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.599 -5.444 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.210 -6.034 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.907 -6.364 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.896 -5.379 -5.949 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.604 -1.483 -2.619 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.430 -0.714 -2.244 1.00 0.00 C ATOM 1406 C VAL A 87 -0.415 -1.627 -1.562 1.00 0.00 C ATOM 1407 O VAL A 87 -0.773 -2.405 -0.662 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.827 0.433 -1.302 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.597 1.276 -0.951 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -2.897 1.314 -1.968 1.00 0.00 C ATOM 0 H VAL A 87 -3.091 -1.921 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.981 -0.288 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.237 0.010 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.890 2.086 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.145 0.649 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.170 1.694 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.173 2.124 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.500 1.731 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.778 0.711 -2.190 1.00 0.00 H new ATOM 1420 N HIS A 88 0.844 -1.544 -2.004 1.00 0.00 N ATOM 1421 CA HIS A 88 1.927 -2.360 -1.447 1.00 0.00 C ATOM 1422 C HIS A 88 3.050 -1.458 -0.954 1.00 0.00 C ATOM 1423 O HIS A 88 3.569 -0.640 -1.710 1.00 0.00 O ATOM 1424 CB HIS A 88 2.433 -3.351 -2.518 1.00 0.00 C ATOM 1425 CG HIS A 88 3.755 -3.993 -2.133 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.566 -4.595 -3.079 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.410 -4.155 -0.929 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.645 -5.088 -2.448 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.607 -4.850 -1.138 1.00 0.00 N ATOM 0 H HIS A 88 1.139 -0.915 -2.751 1.00 0.00 H new ATOM 0 HA HIS A 88 1.557 -2.935 -0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.685 -4.129 -2.672 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.549 -2.828 -3.467 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.378 -4.654 -4.080 1.00 0.00 H new ATOM 0 HD2 HIS A 88 4.054 -3.800 0.027 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.447 -5.614 -2.944 1.00 0.00 H new ATOM 1438 N LEU A 89 3.366 -1.566 0.331 1.00 0.00 N ATOM 1439 CA LEU A 89 4.387 -0.727 0.955 1.00 0.00 C ATOM 1440 C LEU A 89 5.456 -1.562 1.636 1.00 0.00 C ATOM 1441 O LEU A 89 5.139 -2.451 2.450 1.00 0.00 O ATOM 1442 CB LEU A 89 3.744 0.238 1.969 1.00 0.00 C ATOM 1443 CG LEU A 89 4.816 1.184 2.552 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.191 2.533 2.924 1.00 0.00 C ATOM 1445 CD2 LEU A 89 5.443 0.554 3.802 1.00 0.00 C ATOM 0 H LEU A 89 2.927 -2.231 0.967 1.00 0.00 H new ATOM 0 HA LEU A 89 4.866 -0.148 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.960 0.819 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.271 -0.327 2.772 1.00 0.00 H new ATOM 0 HG LEU A 89 5.586 1.343 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.959 3.189 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.759 2.991 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.410 2.379 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.198 1.226 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.669 0.383 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.908 -0.396 3.537 1.00 0.00 H new ATOM 1457 N GLU A 90 6.712 -1.192 1.410 1.00 0.00 N ATOM 1458 CA GLU A 90 7.826 -1.799 2.108 1.00 0.00 C ATOM 1459 C GLU A 90 8.570 -0.786 2.949 1.00 0.00 C ATOM 1460 O GLU A 90 9.067 0.231 2.436 1.00 0.00 O ATOM 1461 CB GLU A 90 8.791 -2.493 1.163 1.00 0.00 C ATOM 1462 CG GLU A 90 8.136 -3.742 0.585 1.00 0.00 C ATOM 1463 CD GLU A 90 9.067 -4.417 -0.391 1.00 0.00 C ATOM 1464 OE1 GLU A 90 10.257 -4.177 -0.310 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.592 -5.192 -1.190 1.00 0.00 O ATOM 0 H GLU A 90 6.979 -0.469 0.742 1.00 0.00 H new ATOM 0 HA GLU A 90 7.397 -2.556 2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.078 -1.816 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.704 -2.762 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.879 -4.431 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.205 -3.475 0.085 1.00 0.00 H new ATOM 1472 N ALA A 91 8.741 -1.122 4.209 1.00 0.00 N ATOM 1473 CA ALA A 91 9.500 -0.303 5.134 1.00 0.00 C ATOM 1474 C ALA A 91 10.430 -1.188 5.934 1.00 0.00 C ATOM 1475 O ALA A 91 10.201 -2.389 6.030 1.00 0.00 O ATOM 1476 CB ALA A 91 8.564 0.463 6.077 1.00 0.00 C ATOM 0 H ALA A 91 8.358 -1.972 4.623 1.00 0.00 H new ATOM 0 HA ALA A 91 10.081 0.425 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.155 1.071 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.908 1.109 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.963 -0.245 6.647 1.00 0.00 H new ATOM 1482 N LYS A 92 11.480 -0.616 6.495 1.00 0.00 N ATOM 1483 CA LYS A 92 12.418 -1.406 7.280 1.00 0.00 C ATOM 1484 C LYS A 92 12.567 -0.870 8.692 1.00 0.00 C ATOM 1485 O LYS A 92 12.810 0.326 8.888 1.00 0.00 O ATOM 1486 CB LYS A 92 13.787 -1.490 6.589 1.00 0.00 C ATOM 1487 CG LYS A 92 14.392 -0.088 6.403 1.00 0.00 C ATOM 1488 CD LYS A 92 15.723 -0.218 5.654 1.00 0.00 C ATOM 1489 CE LYS A 92 16.334 1.161 5.410 1.00 0.00 C ATOM 1490 NZ LYS A 92 16.707 1.789 6.710 1.00 0.00 N ATOM 0 H LYS A 92 11.705 0.376 6.425 1.00 0.00 H new ATOM 0 HA LYS A 92 12.005 -2.412 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.462 -2.106 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.681 -1.977 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.705 0.548 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.549 0.386 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.414 -0.832 6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.564 -0.726 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.215 1.071 4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.623 1.795 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.355 2.584 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.850 2.137 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.177 1.084 7.314 1.00 0.00 H new ATOM 1504 N GLU A 93 12.507 -1.765 9.675 1.00 0.00 N ATOM 1505 CA GLU A 93 12.732 -1.366 11.053 1.00 0.00 C ATOM 1506 C GLU A 93 14.209 -1.124 11.217 1.00 0.00 C ATOM 1507 O GLU A 93 15.012 -2.054 11.067 1.00 0.00 O ATOM 1508 CB GLU A 93 12.310 -2.467 12.033 1.00 0.00 C ATOM 1509 CG GLU A 93 10.817 -2.799 11.875 1.00 0.00 C ATOM 1510 CD GLU A 93 10.398 -3.872 12.878 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.183 -4.212 13.735 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.284 -4.335 12.775 1.00 0.00 O ATOM 0 H GLU A 93 12.307 -2.756 9.542 1.00 0.00 H new ATOM 0 HA GLU A 93 12.142 -0.475 11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.906 -3.363 11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.509 -2.145 13.055 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.221 -1.899 12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.621 -3.145 10.860 1.00 0.00 H new ATOM 1519 N SER A 94 14.578 0.118 11.423 1.00 0.00 N ATOM 1520 CA SER A 94 15.970 0.486 11.488 1.00 0.00 C ATOM 1521 C SER A 94 16.663 -0.217 12.655 1.00 0.00 C ATOM 1522 O SER A 94 17.356 -1.219 12.459 1.00 0.00 O ATOM 1523 CB SER A 94 16.095 1.998 11.598 1.00 0.00 C ATOM 1524 OG SER A 94 15.088 2.604 10.786 1.00 0.00 O ATOM 0 H SER A 94 13.928 0.894 11.549 1.00 0.00 H new ATOM 0 HA SER A 94 16.468 0.164 10.573 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.982 2.311 12.636 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.085 2.319 11.274 1.00 0.00 H new ATOM 0 HG SER A 94 15.162 2.268 9.868 1.00 0.00 H new ATOM 1604 N GLN A 99 8.832 3.572 13.868 1.00 0.00 N ATOM 1605 CA GLN A 99 8.474 3.596 12.461 1.00 0.00 C ATOM 1606 C GLN A 99 9.586 3.000 11.618 1.00 0.00 C ATOM 1607 O GLN A 99 10.699 3.526 11.598 1.00 0.00 O ATOM 1608 CB GLN A 99 8.200 5.039 11.987 1.00 0.00 C ATOM 1609 CG GLN A 99 7.563 5.874 13.109 1.00 0.00 C ATOM 1610 CD GLN A 99 6.281 5.217 13.615 1.00 0.00 C ATOM 1611 OE1 GLN A 99 6.000 5.249 14.810 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.484 4.625 12.782 1.00 0.00 N ATOM 0 HA GLN A 99 7.568 3.002 12.341 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.132 5.504 11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.539 5.022 11.121 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.269 5.984 13.932 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.342 6.876 12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.714 4.596 11.789 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.627 4.188 13.120 1.00 0.00 H new ATOM 1621 N PRO A 100 9.309 1.976 10.873 1.00 0.00 N ATOM 1622 CA PRO A 100 10.315 1.430 9.930 1.00 0.00 C ATOM 1623 C PRO A 100 10.511 2.401 8.776 1.00 0.00 C ATOM 1624 O PRO A 100 9.572 3.101 8.391 1.00 0.00 O ATOM 1625 CB PRO A 100 9.680 0.136 9.441 1.00 0.00 C ATOM 1626 CG PRO A 100 8.223 0.420 9.484 1.00 0.00 C ATOM 1627 CD PRO A 100 8.008 1.296 10.714 1.00 0.00 C ATOM 0 HA PRO A 100 11.295 1.271 10.380 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.009 -0.115 8.433 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.943 -0.706 10.081 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.897 0.931 8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.646 -0.502 9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.197 2.008 10.565 1.00 0.00 H new ATOM 0 HD3 PRO A 100 7.754 0.702 11.592 1.00 0.00 H new ATOM 1635 N ASP A 101 11.706 2.447 8.225 1.00 0.00 N ATOM 1636 CA ASP A 101 11.970 3.349 7.112 1.00 0.00 C ATOM 1637 C ASP A 101 11.281 2.815 5.886 1.00 0.00 C ATOM 1638 O ASP A 101 11.435 1.643 5.564 1.00 0.00 O ATOM 1639 CB ASP A 101 13.476 3.425 6.821 1.00 0.00 C ATOM 1640 CG ASP A 101 14.266 3.616 8.094 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.924 4.490 8.860 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.209 2.875 8.293 1.00 0.00 O ATOM 0 H ASP A 101 12.502 1.882 8.520 1.00 0.00 H new ATOM 0 HA ASP A 101 11.603 4.342 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.800 2.512 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.676 4.250 6.137 1.00 0.00 H new ATOM 1647 N PHE A 102 10.596 3.666 5.152 1.00 0.00 N ATOM 1648 CA PHE A 102 9.953 3.219 3.930 1.00 0.00 C ATOM 1649 C PHE A 102 10.999 3.020 2.859 1.00 0.00 C ATOM 1650 O PHE A 102 11.777 3.937 2.573 1.00 0.00 O ATOM 1651 CB PHE A 102 8.919 4.245 3.446 1.00 0.00 C ATOM 1652 CG PHE A 102 7.890 4.491 4.519 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.807 3.618 4.660 1.00 0.00 C ATOM 1654 CD2 PHE A 102 8.012 5.600 5.367 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.846 3.850 5.650 1.00 0.00 C ATOM 1656 CE2 PHE A 102 7.051 5.833 6.359 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.967 4.958 6.500 1.00 0.00 C ATOM 0 H PHE A 102 10.470 4.654 5.372 1.00 0.00 H new ATOM 0 HA PHE A 102 9.439 2.279 4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.417 5.180 3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.432 3.882 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.712 2.765 4.005 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.847 6.275 5.256 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.010 3.175 5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 102 7.146 6.686 7.014 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.224 5.137 7.263 1.00 0.00 H new ATOM 1667 N ILE A 103 10.977 1.865 2.216 1.00 0.00 N ATOM 1668 CA ILE A 103 11.869 1.613 1.101 1.00 0.00 C ATOM 1669 C ILE A 103 11.082 1.740 -0.192 1.00 0.00 C ATOM 1670 O ILE A 103 11.447 2.493 -1.076 1.00 0.00 O ATOM 1671 CB ILE A 103 12.490 0.202 1.186 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.181 0.014 2.544 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.552 0.051 0.076 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.539 -1.464 2.720 1.00 0.00 C ATOM 0 H ILE A 103 10.354 1.091 2.447 1.00 0.00 H new ATOM 0 HA ILE A 103 12.680 2.341 1.131 1.00 0.00 H new ATOM 0 HB ILE A 103 11.701 -0.541 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.080 0.628 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.523 0.341 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.995 -0.943 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 103 13.082 0.187 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.330 0.803 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.031 -1.607 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.631 -2.065 2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.211 -1.773 1.920 1.00 0.00 H new ATOM 1686 N ASN A 104 9.977 1.013 -0.275 1.00 0.00 N ATOM 1687 CA ASN A 104 9.143 1.007 -1.479 1.00 0.00 C ATOM 1688 C ASN A 104 7.688 1.135 -1.109 1.00 0.00 C ATOM 1689 O ASN A 104 7.266 0.639 -0.065 1.00 0.00 O ATOM 1690 CB ASN A 104 9.353 -0.299 -2.246 1.00 0.00 C ATOM 1691 CG ASN A 104 8.608 -0.283 -3.584 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.935 0.681 -3.924 1.00 0.00 O ATOM 1693 ND2 ASN A 104 8.707 -1.296 -4.363 1.00 0.00 N ATOM 0 H ASN A 104 9.632 0.416 0.477 1.00 0.00 H new ATOM 0 HA ASN A 104 9.429 1.853 -2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.418 -0.453 -2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.005 -1.138 -1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.226 -1.297 -5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.267 -2.101 -4.084 1.00 0.00 H new ATOM 1700 N MET A 105 6.912 1.722 -1.992 1.00 0.00 N ATOM 1701 CA MET A 105 5.480 1.829 -1.806 1.00 0.00 C ATOM 1702 C MET A 105 4.805 2.284 -3.089 1.00 0.00 C ATOM 1703 O MET A 105 5.170 3.328 -3.666 1.00 0.00 O ATOM 1704 CB MET A 105 5.131 2.723 -0.584 1.00 0.00 C ATOM 1705 CG MET A 105 4.386 3.995 -0.998 1.00 0.00 C ATOM 1706 SD MET A 105 2.725 3.582 -1.609 1.00 0.00 S ATOM 1707 CE MET A 105 2.000 3.110 -0.022 1.00 0.00 C ATOM 0 H MET A 105 7.254 2.138 -2.858 1.00 0.00 H new ATOM 0 HA MET A 105 5.085 0.840 -1.576 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.518 2.156 0.117 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.047 2.994 -0.060 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.310 4.673 -0.148 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.947 4.517 -1.773 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.929 3.311 -0.037 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.167 2.047 0.153 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.466 3.687 0.777 1.00 0.00 H new ATOM 1717 N TYR A 106 3.852 1.493 -3.558 1.00 0.00 N ATOM 1718 CA TYR A 106 3.152 1.790 -4.795 1.00 0.00 C ATOM 1719 C TYR A 106 1.708 1.324 -4.742 1.00 0.00 C ATOM 1720 O TYR A 106 1.327 0.524 -3.878 1.00 0.00 O ATOM 1721 CB TYR A 106 3.884 1.193 -6.006 1.00 0.00 C ATOM 1722 CG TYR A 106 4.038 -0.298 -5.845 1.00 0.00 C ATOM 1723 CD1 TYR A 106 5.122 -0.818 -5.122 1.00 0.00 C ATOM 1724 CD2 TYR A 106 3.106 -1.161 -6.432 1.00 0.00 C ATOM 1725 CE1 TYR A 106 5.270 -2.198 -4.985 1.00 0.00 C ATOM 1726 CE2 TYR A 106 3.257 -2.541 -6.296 1.00 0.00 C ATOM 1727 CZ TYR A 106 4.339 -3.062 -5.570 1.00 0.00 C ATOM 1728 OH TYR A 106 4.490 -4.430 -5.438 1.00 0.00 O ATOM 0 H TYR A 106 3.546 0.636 -3.097 1.00 0.00 H new ATOM 0 HA TYR A 106 3.143 2.874 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.329 1.411 -6.918 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.865 1.657 -6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.841 -0.150 -4.672 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.272 -0.760 -6.989 1.00 0.00 H new ATOM 0 HE1 TYR A 106 6.103 -2.599 -4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.540 -3.209 -6.750 1.00 0.00 H new ATOM 0 HH TYR A 106 3.758 -4.886 -5.902 1.00 0.00 H new ATOM 1738 N VAL A 107 0.898 1.881 -5.624 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.523 1.601 -5.642 1.00 0.00 C ATOM 1740 C VAL A 107 -0.916 0.967 -6.963 1.00 0.00 C ATOM 1741 O VAL A 107 -0.638 1.522 -8.041 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.298 2.914 -5.438 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.797 2.705 -5.678 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.055 3.445 -4.023 1.00 0.00 C ATOM 0 H VAL A 107 1.206 2.536 -6.343 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.764 0.905 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.939 3.646 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.324 3.647 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.957 2.358 -6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.177 1.961 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.606 4.375 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.395 2.709 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.010 3.630 -3.882 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.622 -0.154 -6.873 1.00 0.00 N ATOM 1755 CA ASP A 108 -2.134 -0.846 -8.035 1.00 0.00 C ATOM 1756 C ASP A 108 -3.603 -0.501 -8.224 1.00 0.00 C ATOM 1757 O ASP A 108 -4.465 -0.948 -7.446 1.00 0.00 O ATOM 1758 CB ASP A 108 -2.005 -2.371 -7.859 1.00 0.00 C ATOM 1759 CG ASP A 108 -2.156 -3.073 -9.205 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.649 -2.460 -10.132 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -1.772 -4.218 -9.297 1.00 0.00 O ATOM 0 H ASP A 108 -1.852 -0.604 -5.987 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.555 -0.534 -8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.036 -2.613 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.766 -2.730 -7.166 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.894 0.286 -9.237 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.264 0.652 -9.542 1.00 0.00 C ATOM 1768 C VAL A 109 -5.722 -0.091 -10.794 1.00 0.00 C ATOM 1769 O VAL A 109 -5.053 -0.033 -11.830 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.376 2.176 -9.748 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.846 2.575 -9.917 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.790 2.905 -8.527 1.00 0.00 C ATOM 0 H VAL A 109 -3.199 0.687 -9.867 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.906 0.372 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.822 2.455 -10.644 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.916 3.653 -10.062 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.264 2.064 -10.784 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.405 2.292 -9.025 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.870 3.982 -8.674 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.343 2.619 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.742 2.631 -8.409 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.803 -0.826 -10.715 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.294 -1.609 -11.889 1.00 0.00 C ATOM 1784 C PRO A 110 -7.599 -0.695 -13.071 1.00 0.00 C ATOM 1785 O PRO A 110 -8.128 0.407 -12.893 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.577 -2.261 -11.367 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.379 -2.358 -9.897 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.601 -1.110 -9.504 1.00 0.00 C ATOM 0 HA PRO A 110 -6.561 -2.330 -12.252 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.454 -1.660 -11.610 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.731 -3.244 -11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.335 -2.404 -9.375 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.829 -3.262 -9.635 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.264 -0.282 -9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.968 -1.285 -8.634 1.00 0.00 H new ATOM 1796 N GLY A 111 -7.267 -1.152 -14.265 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.501 -0.386 -15.490 1.00 0.00 C ATOM 1798 C GLY A 111 -6.612 0.856 -15.555 1.00 0.00 C ATOM 1799 O GLY A 111 -6.118 1.220 -16.631 1.00 0.00 O ATOM 0 H GLY A 111 -6.829 -2.060 -14.420 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.309 -1.018 -16.357 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.548 -0.088 -15.539 1.00 0.00 H new ATOM 1803 N GLU A 112 -6.390 1.497 -14.415 1.00 0.00 N ATOM 1804 CA GLU A 112 -5.556 2.690 -14.365 1.00 0.00 C ATOM 1805 C GLU A 112 -4.094 2.309 -14.149 1.00 0.00 C ATOM 1806 O GLU A 112 -3.783 1.142 -13.891 1.00 0.00 O ATOM 1807 CB GLU A 112 -6.027 3.634 -13.257 1.00 0.00 C ATOM 1808 CG GLU A 112 -7.463 4.091 -13.533 1.00 0.00 C ATOM 1809 CD GLU A 112 -7.526 4.867 -14.833 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -6.803 5.830 -14.965 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -8.279 4.476 -15.689 1.00 0.00 O ATOM 0 H GLU A 112 -6.775 1.212 -13.515 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.645 3.209 -15.320 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.976 3.129 -12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.366 4.499 -13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.124 3.226 -13.585 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.818 4.714 -12.712 1.00 0.00 H new ATOM 1818 N LYS A 113 -3.193 3.268 -14.314 1.00 0.00 N ATOM 1819 CA LYS A 113 -1.771 2.979 -14.182 1.00 0.00 C ATOM 1820 C LYS A 113 -1.392 2.794 -12.730 1.00 0.00 C ATOM 1821 O LYS A 113 -1.806 3.566 -11.862 1.00 0.00 O ATOM 1822 CB LYS A 113 -0.893 4.100 -14.749 1.00 0.00 C ATOM 1823 CG LYS A 113 -1.415 4.614 -16.099 1.00 0.00 C ATOM 1824 CD LYS A 113 -1.812 3.450 -16.999 1.00 0.00 C ATOM 1825 CE LYS A 113 -1.752 3.884 -18.471 1.00 0.00 C ATOM 1826 NZ LYS A 113 -2.343 5.247 -18.636 1.00 0.00 N ATOM 0 H LYS A 113 -3.416 4.238 -14.536 1.00 0.00 H new ATOM 0 HA LYS A 113 -1.598 2.064 -14.748 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.854 4.925 -14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.127 3.735 -14.870 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.274 5.266 -15.939 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.647 5.213 -16.588 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -1.143 2.605 -16.832 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.819 3.114 -16.751 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.718 3.885 -18.815 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.293 3.168 -19.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.624 5.386 -19.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.178 5.340 -18.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.639 5.965 -18.372 1.00 0.00 H new ATOM 1840 N ARG A 114 -0.480 1.880 -12.503 1.00 0.00 N ATOM 1841 CA ARG A 114 0.100 1.673 -11.191 1.00 0.00 C ATOM 1842 C ARG A 114 0.882 2.904 -10.780 1.00 0.00 C ATOM 1843 O ARG A 114 1.578 3.503 -11.601 1.00 0.00 O ATOM 1844 CB ARG A 114 1.023 0.461 -11.247 1.00 0.00 C ATOM 1845 CG ARG A 114 2.113 0.687 -12.313 1.00 0.00 C ATOM 1846 CD ARG A 114 2.785 -0.640 -12.616 1.00 0.00 C ATOM 1847 NE ARG A 114 3.875 -0.486 -13.576 1.00 0.00 N ATOM 1848 CZ ARG A 114 4.391 -1.554 -14.196 1.00 0.00 C ATOM 1849 NH1 ARG A 114 3.918 -2.745 -13.930 1.00 0.00 N ATOM 1850 NH2 ARG A 114 5.355 -1.411 -15.060 1.00 0.00 N ATOM 0 H ARG A 114 -0.116 1.255 -13.222 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.688 1.498 -10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.482 0.296 -10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 114 0.449 -0.435 -11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.673 1.103 -13.220 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.847 1.409 -11.955 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.171 -1.072 -11.693 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.048 -1.339 -13.011 1.00 0.00 H new ATOM 0 HE ARG A 114 4.246 0.443 -13.776 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.162 -2.854 -13.254 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.306 -3.564 -14.398 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.721 -0.482 -15.267 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.744 -2.228 -15.530 1.00 0.00 H new ATOM 1864 N TYR A 115 0.761 3.289 -9.531 1.00 0.00 N ATOM 1865 CA TYR A 115 1.450 4.479 -9.041 1.00 0.00 C ATOM 1866 C TYR A 115 2.497 4.099 -8.022 1.00 0.00 C ATOM 1867 O TYR A 115 2.170 3.513 -6.988 1.00 0.00 O ATOM 1868 CB TYR A 115 0.436 5.438 -8.400 1.00 0.00 C ATOM 1869 CG TYR A 115 1.109 6.731 -7.970 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.397 7.717 -8.919 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.427 6.950 -6.622 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.994 8.917 -8.524 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.030 8.154 -6.230 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.310 9.139 -7.187 1.00 0.00 C ATOM 1875 OH TYR A 115 2.893 10.340 -6.808 1.00 0.00 O ATOM 0 H TYR A 115 0.197 2.805 -8.832 1.00 0.00 H new ATOM 0 HA TYR A 115 1.938 4.971 -9.882 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.362 5.657 -9.109 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -0.027 4.960 -7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.158 7.551 -9.959 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.208 6.191 -5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.211 9.676 -9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.278 8.322 -5.192 1.00 0.00 H new ATOM 0 HH TYR A 115 3.685 10.160 -6.259 1.00 0.00 H new ATOM 1885 N TYR A 116 3.729 4.539 -8.244 1.00 0.00 N ATOM 1886 CA TYR A 116 4.776 4.330 -7.261 1.00 0.00 C ATOM 1887 C TYR A 116 4.934 5.561 -6.413 1.00 0.00 C ATOM 1888 O TYR A 116 5.673 6.486 -6.769 1.00 0.00 O ATOM 1889 CB TYR A 116 6.110 4.006 -7.944 1.00 0.00 C ATOM 1890 CG TYR A 116 6.219 2.524 -8.187 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.535 1.935 -9.246 1.00 0.00 C ATOM 1892 CD2 TYR A 116 7.025 1.741 -7.356 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.651 0.565 -9.471 1.00 0.00 C ATOM 1894 CE2 TYR A 116 7.138 0.371 -7.578 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.452 -0.219 -8.631 1.00 0.00 C ATOM 1896 OH TYR A 116 6.574 -1.573 -8.857 1.00 0.00 O ATOM 0 H TYR A 116 4.022 5.036 -9.085 1.00 0.00 H new ATOM 0 HA TYR A 116 4.491 3.486 -6.633 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.184 4.544 -8.889 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.938 4.342 -7.320 1.00 0.00 H new ATOM 0 HD1 TYR A 116 4.915 2.539 -9.892 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.562 2.200 -6.539 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.123 0.107 -10.294 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.759 -0.232 -6.932 1.00 0.00 H new ATOM 0 HH TYR A 116 7.167 -1.965 -8.183 1.00 0.00 H new ATOM 1906 N LEU A 117 4.313 5.541 -5.256 1.00 0.00 N ATOM 1907 CA LEU A 117 4.452 6.626 -4.315 1.00 0.00 C ATOM 1908 C LEU A 117 5.882 6.701 -3.797 1.00 0.00 C ATOM 1909 O LEU A 117 6.477 7.776 -3.747 1.00 0.00 O ATOM 1910 CB LEU A 117 3.458 6.467 -3.160 1.00 0.00 C ATOM 1911 CG LEU A 117 3.621 7.613 -2.145 1.00 0.00 C ATOM 1912 CD1 LEU A 117 3.309 8.958 -2.809 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.670 7.393 -0.967 1.00 0.00 C ATOM 0 H LEU A 117 3.706 4.783 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 117 4.227 7.561 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.439 6.459 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.618 5.509 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 117 4.651 7.624 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.428 9.760 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.993 9.120 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.283 8.952 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.786 8.205 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.642 7.373 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.903 6.445 -0.483 1.00 0.00 H new ATOM 1925 N ILE A 118 6.431 5.552 -3.430 1.00 0.00 N ATOM 1926 CA ILE A 118 7.800 5.479 -2.932 1.00 0.00 C ATOM 1927 C ILE A 118 8.591 4.464 -3.742 1.00 0.00 C ATOM 1928 O ILE A 118 8.189 3.309 -3.849 1.00 0.00 O ATOM 1929 CB ILE A 118 7.815 5.089 -1.439 1.00 0.00 C ATOM 1930 CG1 ILE A 118 7.056 6.145 -0.613 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.259 4.994 -0.931 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.962 5.697 0.848 1.00 0.00 C ATOM 0 H ILE A 118 5.949 4.654 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 118 8.261 6.461 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 118 7.329 4.120 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.568 7.105 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.056 6.290 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.256 4.718 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.797 4.238 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.752 5.959 -1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.424 6.449 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.430 4.747 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.965 5.575 1.256 1.00 0.00 H new ATOM 1944 N LYS A 119 9.733 4.881 -4.267 1.00 0.00 N ATOM 1945 CA LYS A 119 10.596 3.975 -5.020 1.00 0.00 C ATOM 1946 C LYS A 119 11.697 3.416 -4.125 1.00 0.00 C ATOM 1947 O LYS A 119 12.365 4.173 -3.413 1.00 0.00 O ATOM 1948 CB LYS A 119 11.230 4.679 -6.241 1.00 0.00 C ATOM 1949 CG LYS A 119 10.470 5.972 -6.585 1.00 0.00 C ATOM 1950 CD LYS A 119 9.017 5.641 -6.971 1.00 0.00 C ATOM 1951 CE LYS A 119 8.503 6.635 -8.030 1.00 0.00 C ATOM 1952 NZ LYS A 119 9.533 6.844 -9.081 1.00 0.00 N ATOM 0 H LYS A 119 10.085 5.835 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 119 9.972 3.157 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.274 4.911 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.220 4.007 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.483 6.649 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.965 6.487 -7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.960 4.624 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.381 5.681 -6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.586 6.256 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.257 7.586 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 9.070 7.110 -9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.180 7.603 -8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 10.071 5.965 -9.219 1.00 0.00 H new ATOM 1966 N PRO A 120 11.937 2.129 -4.191 1.00 0.00 N ATOM 1967 CA PRO A 120 13.008 1.477 -3.388 1.00 0.00 C ATOM 1968 C PRO A 120 14.386 1.935 -3.807 1.00 0.00 C ATOM 1969 O PRO A 120 14.531 2.907 -4.556 1.00 0.00 O ATOM 1970 CB PRO A 120 12.833 -0.016 -3.650 1.00 0.00 C ATOM 1971 CG PRO A 120 12.088 -0.113 -4.942 1.00 0.00 C ATOM 1972 CD PRO A 120 11.253 1.164 -5.072 1.00 0.00 C ATOM 0 HA PRO A 120 12.925 1.731 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.798 -0.518 -3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.279 -0.494 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.779 -0.209 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.448 -0.995 -4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.222 1.517 -6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.222 1.000 -4.760 1.00 0.00 H new ATOM 1980 N LYS A 121 15.392 1.224 -3.327 1.00 0.00 N ATOM 1981 CA LYS A 121 16.775 1.544 -3.616 1.00 0.00 C ATOM 1982 C LYS A 121 17.056 1.300 -5.097 1.00 0.00 C ATOM 1983 O LYS A 121 17.956 0.535 -5.455 1.00 0.00 O ATOM 1984 CB LYS A 121 17.697 0.656 -2.765 1.00 0.00 C ATOM 1985 CG LYS A 121 17.146 0.519 -1.332 1.00 0.00 C ATOM 1986 CD LYS A 121 16.887 1.899 -0.723 1.00 0.00 C ATOM 1987 CE LYS A 121 16.787 1.782 0.808 1.00 0.00 C ATOM 1988 NZ LYS A 121 16.829 3.135 1.424 1.00 0.00 N ATOM 0 H LYS A 121 15.270 0.409 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 121 16.962 2.591 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.785 -0.329 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.699 1.085 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.222 -0.058 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.856 -0.030 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.692 2.583 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.965 2.317 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.861 1.277 1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 121 17.607 1.174 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 16.761 3.048 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 17.724 3.603 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 16.032 3.702 1.071 1.00 0.00 H new