USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 534 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 21 SER OG : rot 13:sc= 0.587 USER MOD Set 1.2: A 22 LYS NZ :NH3+ -178:sc= -0.135 (180deg=-0.145) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 11:sc= 0.649 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 114:sc= 0.177 USER MOD Single : A 13 THR OG1 : rot 166:sc= 0.86 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 30:sc= -1.03 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0572 X(o=-0.057,f=-0.057) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0199) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.971 F(o=-2.5,f=-0.97) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 148:sc= -0.138 (180deg=-1.29!) USER MOD Single : A 62 LYS NZ :NH3+ -121:sc= 0.101 (180deg=-0.0732) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0497) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0259 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.569 22.626 -0.597 1.00 0.00 N ATOM 2 CA GLY A 1 -9.634 21.791 -0.072 1.00 0.00 C ATOM 3 C GLY A 1 -9.108 20.621 0.737 1.00 0.00 C ATOM 4 O GLY A 1 -8.955 20.718 1.955 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.980 23.411 -1.142 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.007 23.008 0.190 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.956 22.058 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.291 22.396 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.238 21.415 -0.898 1.00 0.00 H new ATOM 8 N SER A 2 -8.830 19.512 0.059 1.00 0.00 N ATOM 9 CA SER A 2 -8.323 18.316 0.722 1.00 0.00 C ATOM 10 C SER A 2 -6.893 18.018 0.284 1.00 0.00 C ATOM 11 O SER A 2 -6.668 17.300 -0.691 1.00 0.00 O ATOM 12 CB SER A 2 -9.224 17.117 0.418 1.00 0.00 C ATOM 13 OG SER A 2 -10.538 17.330 0.904 1.00 0.00 O ATOM 0 H SER A 2 -8.947 19.417 -0.950 1.00 0.00 H new ATOM 0 HA SER A 2 -8.325 18.498 1.797 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.254 16.945 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.806 16.219 0.873 1.00 0.00 H new ATOM 0 HG SER A 2 -11.094 16.550 0.696 1.00 0.00 H new ATOM 19 N SER A 3 -5.930 18.572 1.012 1.00 0.00 N ATOM 20 CA SER A 3 -4.521 18.369 0.698 1.00 0.00 C ATOM 21 C SER A 3 -3.654 18.553 1.940 1.00 0.00 C ATOM 22 O SER A 3 -3.818 19.516 2.687 1.00 0.00 O ATOM 23 CB SER A 3 -4.075 19.339 -0.397 1.00 0.00 C ATOM 24 OG SER A 3 -2.943 18.842 -1.091 1.00 0.00 O ATOM 0 H SER A 3 -6.100 19.165 1.824 1.00 0.00 H new ATOM 0 HA SER A 3 -4.399 17.347 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.893 19.501 -1.099 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.838 20.307 0.045 1.00 0.00 H new ATOM 0 HG SER A 3 -2.679 19.480 -1.786 1.00 0.00 H new ATOM 30 N GLY A 4 -2.730 17.621 2.155 1.00 0.00 N ATOM 31 CA GLY A 4 -1.852 17.698 3.306 1.00 0.00 C ATOM 32 C GLY A 4 -1.042 16.432 3.504 1.00 0.00 C ATOM 33 O GLY A 4 -1.588 15.386 3.853 1.00 0.00 O ATOM 0 H GLY A 4 -2.575 16.814 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.175 18.544 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.446 17.889 4.200 1.00 0.00 H new ATOM 37 N SER A 5 0.265 16.526 3.279 1.00 0.00 N ATOM 38 CA SER A 5 1.151 15.378 3.429 1.00 0.00 C ATOM 39 C SER A 5 0.529 14.128 2.814 1.00 0.00 C ATOM 40 O SER A 5 0.604 13.039 3.383 1.00 0.00 O ATOM 41 CB SER A 5 1.458 15.134 4.907 1.00 0.00 C ATOM 42 OG SER A 5 0.288 14.767 5.618 1.00 0.00 O ATOM 0 H SER A 5 0.733 17.386 2.992 1.00 0.00 H new ATOM 0 HA SER A 5 2.081 15.596 2.903 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.206 14.347 5.001 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.886 16.035 5.346 1.00 0.00 H new ATOM 0 HG SER A 5 -0.435 14.580 4.984 1.00 0.00 H new ATOM 48 N SER A 6 -0.086 14.293 1.648 1.00 0.00 N ATOM 49 CA SER A 6 -0.726 13.181 0.955 1.00 0.00 C ATOM 50 C SER A 6 0.251 12.023 0.770 1.00 0.00 C ATOM 51 O SER A 6 -0.007 10.902 1.205 1.00 0.00 O ATOM 52 CB SER A 6 -1.258 13.636 -0.404 1.00 0.00 C ATOM 53 OG SER A 6 -2.584 14.125 -0.295 1.00 0.00 O ATOM 0 H SER A 6 -0.155 15.187 1.162 1.00 0.00 H new ATOM 0 HA SER A 6 -1.561 12.837 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.612 14.415 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.231 12.803 -1.106 1.00 0.00 H new ATOM 0 HG SER A 6 -2.901 14.411 -1.177 1.00 0.00 H new ATOM 59 N GLY A 7 1.376 12.305 0.119 1.00 0.00 N ATOM 60 CA GLY A 7 2.375 11.279 -0.113 1.00 0.00 C ATOM 61 C GLY A 7 3.393 11.195 1.007 1.00 0.00 C ATOM 62 O GLY A 7 4.410 11.887 0.981 1.00 0.00 O ATOM 0 H GLY A 7 1.613 13.225 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.881 10.314 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.889 11.483 -1.052 1.00 0.00 H new ATOM 66 N GLU A 8 3.117 10.349 1.993 1.00 0.00 N ATOM 67 CA GLU A 8 4.016 10.180 3.129 1.00 0.00 C ATOM 68 C GLU A 8 5.005 9.045 2.877 1.00 0.00 C ATOM 69 O GLU A 8 6.217 9.255 2.873 1.00 0.00 O ATOM 70 CB GLU A 8 3.217 9.903 4.404 1.00 0.00 C ATOM 71 CG GLU A 8 2.202 10.985 4.734 1.00 0.00 C ATOM 72 CD GLU A 8 1.894 11.062 6.217 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.843 10.995 7.025 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.702 11.190 6.568 1.00 0.00 O ATOM 0 H GLU A 8 2.278 9.770 2.029 1.00 0.00 H new ATOM 0 HA GLU A 8 4.578 11.106 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.698 8.950 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.908 9.798 5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.581 11.949 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.280 10.793 4.185 1.00 0.00 H new ATOM 81 N GLU A 9 4.475 7.843 2.670 1.00 0.00 N ATOM 82 CA GLU A 9 5.311 6.675 2.419 1.00 0.00 C ATOM 83 C GLU A 9 4.759 5.850 1.260 1.00 0.00 C ATOM 84 O GLU A 9 3.742 5.170 1.395 1.00 0.00 O ATOM 85 CB GLU A 9 5.404 5.808 3.677 1.00 0.00 C ATOM 86 CG GLU A 9 6.284 6.403 4.763 1.00 0.00 C ATOM 87 CD GLU A 9 7.763 6.259 4.460 1.00 0.00 C ATOM 88 OE1 GLU A 9 8.303 7.108 3.719 1.00 0.00 O ATOM 89 OE2 GLU A 9 8.380 5.297 4.963 1.00 0.00 O ATOM 0 H GLU A 9 3.473 7.653 2.671 1.00 0.00 H new ATOM 0 HA GLU A 9 6.308 7.024 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.402 5.654 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.792 4.827 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.043 7.459 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.062 5.916 5.713 1.00 0.00 H new ATOM 96 N LYS A 10 5.437 5.918 0.119 1.00 0.00 N ATOM 97 CA LYS A 10 5.018 5.177 -1.065 1.00 0.00 C ATOM 98 C LYS A 10 5.629 3.779 -1.078 1.00 0.00 C ATOM 99 O LYS A 10 6.840 3.622 -1.237 1.00 0.00 O ATOM 100 CB LYS A 10 5.422 5.933 -2.333 1.00 0.00 C ATOM 101 CG LYS A 10 4.453 7.039 -2.717 1.00 0.00 C ATOM 102 CD LYS A 10 4.531 7.359 -4.200 1.00 0.00 C ATOM 103 CE LYS A 10 3.252 8.015 -4.696 1.00 0.00 C ATOM 104 NZ LYS A 10 3.192 8.060 -6.184 1.00 0.00 N ATOM 0 H LYS A 10 6.279 6.479 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 10 3.933 5.079 -1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.413 6.363 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.499 5.226 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.437 6.738 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.675 7.936 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.377 8.021 -4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.713 6.443 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.391 7.466 -4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.186 9.028 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.305 8.514 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.000 8.605 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.229 7.092 -6.562 1.00 0.00 H new ATOM 118 N TYR A 11 4.783 2.769 -0.911 1.00 0.00 N ATOM 119 CA TYR A 11 5.239 1.384 -0.903 1.00 0.00 C ATOM 120 C TYR A 11 4.897 0.689 -2.218 1.00 0.00 C ATOM 121 O TYR A 11 4.082 1.180 -2.999 1.00 0.00 O ATOM 122 CB TYR A 11 4.610 0.624 0.266 1.00 0.00 C ATOM 123 CG TYR A 11 5.430 0.681 1.536 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.933 1.887 2.007 1.00 0.00 C ATOM 125 CD2 TYR A 11 5.701 -0.472 2.263 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.683 1.944 3.167 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.448 -0.424 3.424 1.00 0.00 C ATOM 128 CZ TYR A 11 6.937 0.786 3.871 1.00 0.00 C ATOM 129 OH TYR A 11 7.683 0.837 5.027 1.00 0.00 O ATOM 0 H TYR A 11 3.778 2.883 -0.779 1.00 0.00 H new ATOM 0 HA TYR A 11 6.323 1.387 -0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.620 1.034 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.472 -0.418 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.735 2.796 1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.321 -1.421 1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.068 2.890 3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.648 -1.329 3.979 1.00 0.00 H new ATOM 0 HH TYR A 11 7.117 0.604 5.792 1.00 0.00 H new ATOM 139 N VAL A 12 5.528 -0.457 -2.455 1.00 0.00 N ATOM 140 CA VAL A 12 5.291 -1.221 -3.674 1.00 0.00 C ATOM 141 C VAL A 12 4.779 -2.620 -3.354 1.00 0.00 C ATOM 142 O VAL A 12 5.164 -3.221 -2.350 1.00 0.00 O ATOM 143 CB VAL A 12 6.571 -1.337 -4.523 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.310 -2.160 -5.774 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.096 0.045 -4.884 1.00 0.00 C ATOM 0 H VAL A 12 6.207 -0.876 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 12 4.535 -0.681 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 12 7.332 -1.849 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.226 -2.231 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.983 -3.160 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.534 -1.680 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.001 -0.055 -5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.340 0.584 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.324 0.597 -3.972 1.00 0.00 H new ATOM 155 N THR A 13 3.907 -3.137 -4.214 1.00 0.00 N ATOM 156 CA THR A 13 3.341 -4.467 -4.023 1.00 0.00 C ATOM 157 C THR A 13 4.117 -5.514 -4.814 1.00 0.00 C ATOM 158 O THR A 13 4.119 -5.502 -6.045 1.00 0.00 O ATOM 159 CB THR A 13 1.862 -4.514 -4.447 1.00 0.00 C ATOM 160 OG1 THR A 13 1.758 -4.444 -5.874 1.00 0.00 O ATOM 161 CG2 THR A 13 1.082 -3.367 -3.822 1.00 0.00 C ATOM 0 H THR A 13 3.577 -2.655 -5.050 1.00 0.00 H new ATOM 0 HA THR A 13 3.414 -4.691 -2.959 1.00 0.00 H new ATOM 0 HB THR A 13 1.438 -5.455 -4.097 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.852 -4.695 -6.149 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.040 -3.422 -4.136 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.138 -3.439 -2.736 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.509 -2.418 -4.145 1.00 0.00 H new ATOM 169 N VAL A 14 4.778 -6.419 -4.098 1.00 0.00 N ATOM 170 CA VAL A 14 5.558 -7.475 -4.733 1.00 0.00 C ATOM 171 C VAL A 14 4.684 -8.679 -5.066 1.00 0.00 C ATOM 172 O VAL A 14 5.126 -9.611 -5.737 1.00 0.00 O ATOM 173 CB VAL A 14 6.722 -7.932 -3.834 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.770 -6.836 -3.719 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.207 -8.335 -2.461 1.00 0.00 C ATOM 0 H VAL A 14 4.789 -6.442 -3.078 1.00 0.00 H new ATOM 0 HA VAL A 14 5.964 -7.058 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 14 7.191 -8.803 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.585 -7.177 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.160 -6.600 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.318 -5.944 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.043 -8.655 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.712 -7.484 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.497 -9.155 -2.565 1.00 0.00 H new ATOM 185 N GLN A 15 3.443 -8.652 -4.592 1.00 0.00 N ATOM 186 CA GLN A 15 2.507 -9.742 -4.839 1.00 0.00 C ATOM 187 C GLN A 15 1.071 -9.230 -4.869 1.00 0.00 C ATOM 188 O GLN A 15 0.699 -8.306 -4.146 1.00 0.00 O ATOM 189 CB GLN A 15 2.653 -10.822 -3.764 1.00 0.00 C ATOM 190 CG GLN A 15 4.057 -11.397 -3.668 1.00 0.00 C ATOM 191 CD GLN A 15 4.206 -12.382 -2.526 1.00 0.00 C ATOM 192 OE1 GLN A 15 4.865 -12.096 -1.525 1.00 0.00 O ATOM 193 NE2 GLN A 15 3.593 -13.553 -2.668 1.00 0.00 N ATOM 0 H GLN A 15 3.062 -7.887 -4.035 1.00 0.00 H new ATOM 0 HA GLN A 15 2.740 -10.174 -5.812 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.374 -10.401 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.952 -11.630 -3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.308 -11.893 -4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.771 -10.584 -3.537 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.057 -13.749 -3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.658 -14.255 -1.931 1.00 0.00 H new ATOM 202 N PRO A 16 0.242 -9.842 -5.729 1.00 0.00 N ATOM 203 CA PRO A 16 -1.167 -9.465 -5.874 1.00 0.00 C ATOM 204 C PRO A 16 -1.997 -9.842 -4.652 1.00 0.00 C ATOM 205 O PRO A 16 -1.674 -10.791 -3.938 1.00 0.00 O ATOM 206 CB PRO A 16 -1.624 -10.264 -7.098 1.00 0.00 C ATOM 207 CG PRO A 16 -0.706 -11.437 -7.148 1.00 0.00 C ATOM 208 CD PRO A 16 0.617 -10.951 -6.622 1.00 0.00 C ATOM 0 HA PRO A 16 -1.291 -8.387 -5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.663 -10.578 -7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.555 -9.668 -8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.089 -12.258 -6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.607 -11.812 -8.167 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.149 -11.737 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.271 -10.615 -7.427 1.00 0.00 H new ATOM 216 N TYR A 17 -3.069 -9.093 -4.418 1.00 0.00 N ATOM 217 CA TYR A 17 -3.945 -9.346 -3.280 1.00 0.00 C ATOM 218 C TYR A 17 -5.410 -9.315 -3.703 1.00 0.00 C ATOM 219 O TYR A 17 -5.852 -8.393 -4.389 1.00 0.00 O ATOM 220 CB TYR A 17 -3.698 -8.313 -2.179 1.00 0.00 C ATOM 221 CG TYR A 17 -4.443 -8.606 -0.897 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.949 -9.522 0.024 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.642 -7.966 -0.604 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.627 -9.793 1.197 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.326 -8.230 0.567 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.814 -9.144 1.464 1.00 0.00 C ATOM 227 OH TYR A 17 -6.492 -9.411 2.632 1.00 0.00 O ATOM 0 H TYR A 17 -3.352 -8.306 -5.001 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.718 -10.340 -2.894 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.630 -8.269 -1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.992 -7.329 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.019 -10.031 -0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.046 -7.250 -1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.229 -10.509 1.901 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.256 -7.724 0.779 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.853 -9.660 3.332 1.00 0.00 H new ATOM 237 N THR A 18 -6.161 -10.331 -3.288 1.00 0.00 N ATOM 238 CA THR A 18 -7.576 -10.423 -3.624 1.00 0.00 C ATOM 239 C THR A 18 -8.448 -9.940 -2.469 1.00 0.00 C ATOM 240 O THR A 18 -8.520 -10.585 -1.424 1.00 0.00 O ATOM 241 CB THR A 18 -7.976 -11.866 -3.986 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.070 -12.395 -4.960 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.396 -11.913 -4.529 1.00 0.00 C ATOM 0 H THR A 18 -5.812 -11.102 -2.718 1.00 0.00 H new ATOM 0 HA THR A 18 -7.737 -9.782 -4.491 1.00 0.00 H new ATOM 0 HB THR A 18 -7.930 -12.471 -3.081 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.330 -13.313 -5.184 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.657 -12.942 -4.778 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.087 -11.536 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.464 -11.295 -5.424 1.00 0.00 H new ATOM 251 N SER A 19 -9.106 -8.803 -2.667 1.00 0.00 N ATOM 252 CA SER A 19 -9.971 -8.233 -1.640 1.00 0.00 C ATOM 253 C SER A 19 -11.276 -9.015 -1.531 1.00 0.00 C ATOM 254 O SER A 19 -11.911 -9.324 -2.539 1.00 0.00 O ATOM 255 CB SER A 19 -10.267 -6.765 -1.951 1.00 0.00 C ATOM 256 OG SER A 19 -10.901 -6.629 -3.210 1.00 0.00 O ATOM 0 H SER A 19 -9.057 -8.258 -3.528 1.00 0.00 H new ATOM 0 HA SER A 19 -9.450 -8.297 -0.685 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.904 -6.346 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.338 -6.194 -1.944 1.00 0.00 H new ATOM 0 HG SER A 19 -11.081 -5.682 -3.385 1.00 0.00 H new ATOM 262 N GLN A 20 -11.667 -9.334 -0.302 1.00 0.00 N ATOM 263 CA GLN A 20 -12.896 -10.081 -0.062 1.00 0.00 C ATOM 264 C GLN A 20 -14.078 -9.137 0.131 1.00 0.00 C ATOM 265 O GLN A 20 -15.215 -9.478 -0.194 1.00 0.00 O ATOM 266 CB GLN A 20 -12.739 -10.979 1.166 1.00 0.00 C ATOM 267 CG GLN A 20 -11.674 -12.051 1.005 1.00 0.00 C ATOM 268 CD GLN A 20 -12.044 -13.092 -0.033 1.00 0.00 C ATOM 269 OE1 GLN A 20 -13.061 -13.775 0.092 1.00 0.00 O ATOM 270 NE2 GLN A 20 -11.221 -13.217 -1.067 1.00 0.00 N ATOM 0 H GLN A 20 -11.151 -9.087 0.543 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.091 -10.703 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.492 -10.360 2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.695 -11.458 1.380 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.732 -11.582 0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.511 -12.542 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.389 -12.630 -1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.421 -13.900 -1.798 1.00 0.00 H new ATOM 279 N SER A 21 -13.802 -7.951 0.663 1.00 0.00 N ATOM 280 CA SER A 21 -14.844 -6.960 0.903 1.00 0.00 C ATOM 281 C SER A 21 -14.261 -5.550 0.907 1.00 0.00 C ATOM 282 O SER A 21 -13.050 -5.366 1.022 1.00 0.00 O ATOM 283 CB SER A 21 -15.545 -7.238 2.234 1.00 0.00 C ATOM 284 OG SER A 21 -16.437 -8.334 2.122 1.00 0.00 O ATOM 0 H SER A 21 -12.866 -7.653 0.936 1.00 0.00 H new ATOM 0 HA SER A 21 -15.572 -7.031 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.802 -7.447 3.003 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.092 -6.351 2.553 1.00 0.00 H new ATOM 0 HG SER A 21 -16.267 -8.810 1.282 1.00 0.00 H new ATOM 290 N LYS A 22 -15.134 -4.556 0.781 1.00 0.00 N ATOM 291 CA LYS A 22 -14.709 -3.161 0.771 1.00 0.00 C ATOM 292 C LYS A 22 -13.539 -2.942 1.724 1.00 0.00 C ATOM 293 O LYS A 22 -12.459 -2.519 1.309 1.00 0.00 O ATOM 294 CB LYS A 22 -15.875 -2.248 1.160 1.00 0.00 C ATOM 295 CG LYS A 22 -17.232 -2.778 0.728 1.00 0.00 C ATOM 296 CD LYS A 22 -17.852 -3.661 1.798 1.00 0.00 C ATOM 297 CE LYS A 22 -18.928 -4.567 1.218 1.00 0.00 C ATOM 298 NZ LYS A 22 -18.343 -5.728 0.492 1.00 0.00 N ATOM 0 H LYS A 22 -16.140 -4.691 0.684 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.383 -2.914 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.875 -2.113 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.720 -1.265 0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.898 -1.943 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.125 -3.346 -0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.076 -4.268 2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.283 -3.037 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.571 -4.927 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.558 -3.993 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.107 -6.303 0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.723 -5.385 -0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.790 -6.309 1.154 1.00 0.00 H new ATOM 312 N ASP A 23 -13.759 -3.233 3.000 1.00 0.00 N ATOM 313 CA ASP A 23 -12.721 -3.070 4.012 1.00 0.00 C ATOM 314 C ASP A 23 -11.344 -3.382 3.434 1.00 0.00 C ATOM 315 O ASP A 23 -10.378 -2.664 3.686 1.00 0.00 O ATOM 316 CB ASP A 23 -13.001 -3.976 5.212 1.00 0.00 C ATOM 317 CG ASP A 23 -13.358 -5.390 4.798 1.00 0.00 C ATOM 318 OD1 ASP A 23 -13.418 -5.654 3.578 1.00 0.00 O ATOM 319 OD2 ASP A 23 -13.580 -6.233 5.693 1.00 0.00 O ATOM 0 H ASP A 23 -14.647 -3.583 3.359 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.730 -2.031 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.123 -4.000 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.817 -3.555 5.799 1.00 0.00 H new ATOM 324 N GLU A 24 -11.265 -4.457 2.656 1.00 0.00 N ATOM 325 CA GLU A 24 -10.006 -4.864 2.043 1.00 0.00 C ATOM 326 C GLU A 24 -9.924 -4.385 0.597 1.00 0.00 C ATOM 327 O GLU A 24 -10.945 -4.224 -0.073 1.00 0.00 O ATOM 328 CB GLU A 24 -9.856 -6.387 2.096 1.00 0.00 C ATOM 329 CG GLU A 24 -9.468 -6.913 3.468 1.00 0.00 C ATOM 330 CD GLU A 24 -9.130 -8.391 3.451 1.00 0.00 C ATOM 331 OE1 GLU A 24 -9.702 -9.120 2.613 1.00 0.00 O ATOM 332 OE2 GLU A 24 -8.296 -8.819 4.274 1.00 0.00 O ATOM 0 H GLU A 24 -12.057 -5.061 2.436 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.193 -4.405 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.796 -6.847 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.102 -6.695 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.610 -6.352 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.288 -6.739 4.165 1.00 0.00 H new ATOM 339 N ILE A 25 -8.704 -4.157 0.124 1.00 0.00 N ATOM 340 CA ILE A 25 -8.488 -3.695 -1.242 1.00 0.00 C ATOM 341 C ILE A 25 -7.582 -4.653 -2.008 1.00 0.00 C ATOM 342 O ILE A 25 -6.555 -5.096 -1.497 1.00 0.00 O ATOM 343 CB ILE A 25 -7.867 -2.287 -1.269 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.075 -1.639 -2.639 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.386 -2.353 -0.928 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.883 -0.140 -2.635 1.00 0.00 C ATOM 0 H ILE A 25 -7.850 -4.285 0.666 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.466 -3.660 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.365 -1.673 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.380 -2.084 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.081 -1.867 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.962 -1.349 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.261 -2.777 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.873 -2.981 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.046 0.250 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.596 0.316 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.868 0.096 -2.315 1.00 0.00 H new ATOM 358 N GLY A 26 -7.969 -4.966 -3.241 1.00 0.00 N ATOM 359 CA GLY A 26 -7.179 -5.867 -4.060 1.00 0.00 C ATOM 360 C GLY A 26 -6.359 -5.134 -5.102 1.00 0.00 C ATOM 361 O GLY A 26 -6.864 -4.249 -5.793 1.00 0.00 O ATOM 0 H GLY A 26 -8.815 -4.612 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.513 -6.446 -3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.841 -6.577 -4.556 1.00 0.00 H new ATOM 365 N PHE A 27 -5.087 -5.502 -5.217 1.00 0.00 N ATOM 366 CA PHE A 27 -4.192 -4.871 -6.181 1.00 0.00 C ATOM 367 C PHE A 27 -3.312 -5.911 -6.867 1.00 0.00 C ATOM 368 O PHE A 27 -3.253 -7.065 -6.444 1.00 0.00 O ATOM 369 CB PHE A 27 -3.318 -3.824 -5.488 1.00 0.00 C ATOM 370 CG PHE A 27 -2.869 -4.233 -4.114 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.842 -5.149 -3.950 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.473 -3.701 -2.986 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.426 -5.526 -2.687 1.00 0.00 C ATOM 374 CE2 PHE A 27 -3.061 -4.074 -1.721 1.00 0.00 C ATOM 375 CZ PHE A 27 -2.037 -4.990 -1.571 1.00 0.00 C ATOM 0 H PHE A 27 -4.653 -6.234 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.802 -4.380 -6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.441 -3.628 -6.105 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.873 -2.888 -5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.361 -5.573 -4.819 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.275 -2.986 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.623 -6.240 -2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.539 -3.650 -0.850 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.716 -5.286 -0.583 1.00 0.00 H new ATOM 385 N GLU A 28 -2.631 -5.493 -7.930 1.00 0.00 N ATOM 386 CA GLU A 28 -1.755 -6.388 -8.677 1.00 0.00 C ATOM 387 C GLU A 28 -0.309 -6.246 -8.213 1.00 0.00 C ATOM 388 O GLU A 28 0.015 -5.370 -7.411 1.00 0.00 O ATOM 389 CB GLU A 28 -1.853 -6.100 -10.175 1.00 0.00 C ATOM 390 CG GLU A 28 -3.281 -5.961 -10.678 1.00 0.00 C ATOM 391 CD GLU A 28 -3.366 -5.922 -12.191 1.00 0.00 C ATOM 392 OE1 GLU A 28 -2.722 -6.772 -12.843 1.00 0.00 O ATOM 393 OE2 GLU A 28 -4.075 -5.044 -12.723 1.00 0.00 O ATOM 0 H GLU A 28 -2.669 -4.540 -8.293 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.079 -7.412 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.308 -5.182 -10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.360 -6.903 -10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.876 -6.795 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.719 -5.050 -10.270 1.00 0.00 H new ATOM 400 N LYS A 29 0.559 -7.113 -8.724 1.00 0.00 N ATOM 401 CA LYS A 29 1.972 -7.086 -8.365 1.00 0.00 C ATOM 402 C LYS A 29 2.765 -6.228 -9.344 1.00 0.00 C ATOM 403 O LYS A 29 2.848 -6.539 -10.531 1.00 0.00 O ATOM 404 CB LYS A 29 2.539 -8.506 -8.339 1.00 0.00 C ATOM 405 CG LYS A 29 4.024 -8.574 -8.654 1.00 0.00 C ATOM 406 CD LYS A 29 4.508 -10.010 -8.753 1.00 0.00 C ATOM 407 CE LYS A 29 6.019 -10.079 -8.915 1.00 0.00 C ATOM 408 NZ LYS A 29 6.500 -11.482 -9.044 1.00 0.00 N ATOM 0 H LYS A 29 0.308 -7.844 -9.389 1.00 0.00 H new ATOM 0 HA LYS A 29 2.061 -6.648 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.365 -8.940 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.995 -9.119 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.222 -8.057 -9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.585 -8.053 -7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.212 -10.557 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.027 -10.499 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.316 -9.511 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.498 -9.608 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.534 -11.486 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.239 -12.018 -8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.063 -11.924 -9.878 1.00 0.00 H new ATOM 422 N GLY A 30 3.349 -5.145 -8.838 1.00 0.00 N ATOM 423 CA GLY A 30 4.129 -4.259 -9.682 1.00 0.00 C ATOM 424 C GLY A 30 3.535 -2.868 -9.769 1.00 0.00 C ATOM 425 O GLY A 30 3.771 -2.143 -10.735 1.00 0.00 O ATOM 0 H GLY A 30 3.295 -4.866 -7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.145 -4.193 -9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.198 -4.684 -10.683 1.00 0.00 H new ATOM 429 N VAL A 31 2.758 -2.493 -8.757 1.00 0.00 N ATOM 430 CA VAL A 31 2.127 -1.180 -8.723 1.00 0.00 C ATOM 431 C VAL A 31 2.641 -0.353 -7.550 1.00 0.00 C ATOM 432 O VAL A 31 3.505 -0.797 -6.794 1.00 0.00 O ATOM 433 CB VAL A 31 0.594 -1.296 -8.623 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.002 -1.724 -9.957 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.205 -2.270 -7.521 1.00 0.00 C ATOM 0 H VAL A 31 2.551 -3.081 -7.950 1.00 0.00 H new ATOM 0 HA VAL A 31 2.386 -0.681 -9.657 1.00 0.00 H new ATOM 0 HB VAL A 31 0.189 -0.316 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.082 -1.800 -9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.251 -0.986 -10.719 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.411 -2.693 -10.243 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.881 -2.340 -7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.621 -3.253 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.596 -1.916 -6.567 1.00 0.00 H new ATOM 445 N THR A 32 2.105 0.855 -7.404 1.00 0.00 N ATOM 446 CA THR A 32 2.509 1.746 -6.324 1.00 0.00 C ATOM 447 C THR A 32 1.356 2.001 -5.361 1.00 0.00 C ATOM 448 O THR A 32 0.221 2.226 -5.781 1.00 0.00 O ATOM 449 CB THR A 32 3.018 3.094 -6.868 1.00 0.00 C ATOM 450 OG1 THR A 32 4.177 2.888 -7.683 1.00 0.00 O ATOM 451 CG2 THR A 32 3.353 4.045 -5.729 1.00 0.00 C ATOM 0 H THR A 32 1.389 1.239 -8.021 1.00 0.00 H new ATOM 0 HA THR A 32 3.320 1.249 -5.791 1.00 0.00 H new ATOM 0 HB THR A 32 2.227 3.540 -7.471 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.493 3.750 -8.026 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.710 4.990 -6.137 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.460 4.223 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.129 3.604 -5.103 1.00 0.00 H new ATOM 459 N VAL A 33 1.653 1.964 -4.066 1.00 0.00 N ATOM 460 CA VAL A 33 0.641 2.194 -3.042 1.00 0.00 C ATOM 461 C VAL A 33 1.075 3.291 -2.076 1.00 0.00 C ATOM 462 O VAL A 33 2.240 3.683 -2.050 1.00 0.00 O ATOM 463 CB VAL A 33 0.347 0.909 -2.245 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.250 -0.156 -3.150 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.612 0.401 -1.571 1.00 0.00 C ATOM 0 H VAL A 33 2.587 1.777 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.266 2.508 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.383 1.141 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.451 -1.056 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.181 0.213 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.453 -0.390 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.387 -0.507 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.366 0.184 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.992 1.162 -0.889 1.00 0.00 H new ATOM 475 N GLU A 34 0.128 3.782 -1.282 1.00 0.00 N ATOM 476 CA GLU A 34 0.413 4.833 -0.314 1.00 0.00 C ATOM 477 C GLU A 34 0.044 4.389 1.098 1.00 0.00 C ATOM 478 O GLU A 34 -1.131 4.192 1.412 1.00 0.00 O ATOM 479 CB GLU A 34 -0.350 6.110 -0.674 1.00 0.00 C ATOM 480 CG GLU A 34 0.215 6.835 -1.885 1.00 0.00 C ATOM 481 CD GLU A 34 -0.071 8.324 -1.858 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.237 8.700 -1.610 1.00 0.00 O ATOM 483 OE2 GLU A 34 0.869 9.113 -2.086 1.00 0.00 O ATOM 0 H GLU A 34 -0.843 3.468 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 34 1.483 5.037 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.393 5.858 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.337 6.785 0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.292 6.676 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.208 6.404 -2.792 1.00 0.00 H new ATOM 490 N VAL A 35 1.054 4.231 1.947 1.00 0.00 N ATOM 491 CA VAL A 35 0.838 3.811 3.325 1.00 0.00 C ATOM 492 C VAL A 35 0.313 4.962 4.176 1.00 0.00 C ATOM 493 O VAL A 35 1.023 5.937 4.423 1.00 0.00 O ATOM 494 CB VAL A 35 2.133 3.268 3.958 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.910 2.926 5.423 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.634 2.054 3.188 1.00 0.00 C ATOM 0 H VAL A 35 2.032 4.388 1.703 1.00 0.00 H new ATOM 0 HA VAL A 35 0.094 3.014 3.298 1.00 0.00 H new ATOM 0 HB VAL A 35 2.896 4.044 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.836 2.544 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.602 3.821 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.132 2.167 5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.550 1.683 3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.875 1.272 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.836 2.337 2.155 1.00 0.00 H new ATOM 506 N ILE A 36 -0.933 4.842 4.621 1.00 0.00 N ATOM 507 CA ILE A 36 -1.552 5.872 5.445 1.00 0.00 C ATOM 508 C ILE A 36 -1.282 5.628 6.926 1.00 0.00 C ATOM 509 O ILE A 36 -0.682 6.463 7.603 1.00 0.00 O ATOM 510 CB ILE A 36 -3.074 5.939 5.216 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.378 6.251 3.749 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.702 6.982 6.127 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.853 6.218 3.418 1.00 0.00 C ATOM 0 H ILE A 36 -1.534 4.041 4.425 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.107 6.822 5.149 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.506 4.968 5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.981 7.237 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.856 5.532 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.777 7.017 5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.511 6.719 7.167 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.268 7.959 5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.994 6.448 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.251 5.226 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.378 6.956 4.024 1.00 0.00 H new ATOM 525 N ARG A 37 -1.727 4.478 7.421 1.00 0.00 N ATOM 526 CA ARG A 37 -1.533 4.123 8.821 1.00 0.00 C ATOM 527 C ARG A 37 -0.789 2.796 8.947 1.00 0.00 C ATOM 528 O ARG A 37 -0.796 1.977 8.028 1.00 0.00 O ATOM 529 CB ARG A 37 -2.881 4.034 9.539 1.00 0.00 C ATOM 530 CG ARG A 37 -3.434 5.384 9.965 1.00 0.00 C ATOM 531 CD ARG A 37 -4.676 5.230 10.828 1.00 0.00 C ATOM 532 NE ARG A 37 -5.715 4.453 10.159 1.00 0.00 N ATOM 533 CZ ARG A 37 -6.949 4.314 10.631 1.00 0.00 C ATOM 534 NH1 ARG A 37 -7.295 4.898 11.770 1.00 0.00 N ATOM 535 NH2 ARG A 37 -7.839 3.591 9.963 1.00 0.00 N ATOM 0 H ARG A 37 -2.224 3.776 6.873 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.932 4.903 9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.601 3.547 8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.773 3.401 10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.671 5.933 10.518 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.675 5.975 9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.407 4.744 11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.067 6.216 11.080 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.481 3.991 9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.613 5.455 12.285 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.243 4.790 12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.576 3.141 9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.786 3.485 10.326 1.00 0.00 H new ATOM 549 N LYS A 38 -0.146 2.592 10.092 1.00 0.00 N ATOM 550 CA LYS A 38 0.603 1.365 10.340 1.00 0.00 C ATOM 551 C LYS A 38 0.097 0.664 11.597 1.00 0.00 C ATOM 552 O LYS A 38 0.018 1.267 12.666 1.00 0.00 O ATOM 553 CB LYS A 38 2.095 1.674 10.482 1.00 0.00 C ATOM 554 CG LYS A 38 2.678 2.413 9.290 1.00 0.00 C ATOM 555 CD LYS A 38 4.195 2.482 9.365 1.00 0.00 C ATOM 556 CE LYS A 38 4.781 3.180 8.147 1.00 0.00 C ATOM 557 NZ LYS A 38 4.661 4.661 8.246 1.00 0.00 N ATOM 0 H LYS A 38 -0.128 3.260 10.863 1.00 0.00 H new ATOM 0 HA LYS A 38 0.455 0.700 9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.250 2.271 11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.639 0.740 10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.381 1.912 8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.268 3.422 9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.492 3.014 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.603 1.474 9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.831 2.907 8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.270 2.833 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.897 5.090 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.686 4.914 8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.316 5.015 8.972 1.00 0.00 H new ATOM 571 N ASN A 39 -0.245 -0.614 11.460 1.00 0.00 N ATOM 572 CA ASN A 39 -0.742 -1.396 12.585 1.00 0.00 C ATOM 573 C ASN A 39 0.327 -2.360 13.092 1.00 0.00 C ATOM 574 O ASN A 39 1.443 -2.397 12.571 1.00 0.00 O ATOM 575 CB ASN A 39 -1.994 -2.176 12.177 1.00 0.00 C ATOM 576 CG ASN A 39 -2.898 -2.475 13.357 1.00 0.00 C ATOM 577 OD1 ASN A 39 -3.226 -3.748 13.542 1.00 0.00 O flip ATOM 578 ND2 ASN A 39 -3.296 -1.573 14.094 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.187 -1.129 10.581 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.997 -0.707 13.390 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.549 -1.604 11.433 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.698 -3.112 11.703 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.019 -0.608 13.914 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.903 -1.791 14.884 1.00 0.00 H new ATOM 585 N LEU A 40 -0.022 -3.139 14.111 1.00 0.00 N ATOM 586 CA LEU A 40 0.907 -4.104 14.688 1.00 0.00 C ATOM 587 C LEU A 40 0.510 -5.530 14.320 1.00 0.00 C ATOM 588 O LEU A 40 1.324 -6.449 14.395 1.00 0.00 O ATOM 589 CB LEU A 40 0.951 -3.952 16.210 1.00 0.00 C ATOM 590 CG LEU A 40 1.467 -2.613 16.736 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.116 -2.445 18.206 1.00 0.00 C ATOM 592 CD2 LEU A 40 2.970 -2.502 16.529 1.00 0.00 C ATOM 0 H LEU A 40 -0.941 -3.121 14.554 1.00 0.00 H new ATOM 0 HA LEU A 40 1.898 -3.906 14.280 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.055 -4.110 16.600 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.578 -4.745 16.616 1.00 0.00 H new ATOM 0 HG LEU A 40 0.983 -1.814 16.175 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.492 -1.486 18.562 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.033 -2.479 18.328 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.571 -3.250 18.783 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.320 -1.542 16.909 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.471 -3.309 17.064 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.197 -2.575 15.465 1.00 0.00 H new ATOM 604 N GLU A 41 -0.746 -5.704 13.920 1.00 0.00 N ATOM 605 CA GLU A 41 -1.250 -7.018 13.537 1.00 0.00 C ATOM 606 C GLU A 41 -1.128 -7.231 12.031 1.00 0.00 C ATOM 607 O GLU A 41 -2.086 -7.628 11.370 1.00 0.00 O ATOM 608 CB GLU A 41 -2.709 -7.175 13.969 1.00 0.00 C ATOM 609 CG GLU A 41 -2.881 -7.420 15.459 1.00 0.00 C ATOM 610 CD GLU A 41 -2.681 -6.164 16.284 1.00 0.00 C ATOM 611 OE1 GLU A 41 -1.516 -5.749 16.460 1.00 0.00 O ATOM 612 OE2 GLU A 41 -3.689 -5.597 16.754 1.00 0.00 O ATOM 0 H GLU A 41 -1.432 -4.953 13.853 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.646 -7.771 14.042 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.260 -6.276 13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.154 -8.004 13.419 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.879 -7.817 15.645 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.170 -8.180 15.783 1.00 0.00 H new ATOM 619 N GLY A 42 0.059 -6.964 11.496 1.00 0.00 N ATOM 620 CA GLY A 42 0.286 -7.131 10.072 1.00 0.00 C ATOM 621 C GLY A 42 -0.798 -6.486 9.233 1.00 0.00 C ATOM 622 O GLY A 42 -1.305 -7.091 8.289 1.00 0.00 O ATOM 0 H GLY A 42 0.868 -6.635 12.023 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.251 -6.699 9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.338 -8.194 9.838 1.00 0.00 H new ATOM 626 N TRP A 43 -1.156 -5.254 9.578 1.00 0.00 N ATOM 627 CA TRP A 43 -2.190 -4.526 8.849 1.00 0.00 C ATOM 628 C TRP A 43 -1.761 -3.086 8.589 1.00 0.00 C ATOM 629 O TRP A 43 -1.699 -2.272 9.510 1.00 0.00 O ATOM 630 CB TRP A 43 -3.505 -4.547 9.632 1.00 0.00 C ATOM 631 CG TRP A 43 -4.352 -5.748 9.338 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.869 -6.627 10.246 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.776 -6.202 8.049 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.592 -7.601 9.599 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.550 -7.362 8.250 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.581 -5.741 6.744 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.125 -8.066 7.195 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.152 -6.441 5.698 1.00 0.00 C ATOM 639 CH2 TRP A 43 -5.917 -7.592 5.929 1.00 0.00 C ATOM 0 H TRP A 43 -0.746 -4.738 10.357 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.339 -5.019 7.889 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.285 -4.519 10.699 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.072 -3.646 9.400 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.730 -6.566 11.315 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.080 -8.375 10.049 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.995 -4.854 6.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.714 -8.954 7.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.006 -6.095 4.685 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.351 -8.116 5.090 1.00 0.00 H new ATOM 650 N TRP A 44 -1.467 -2.780 7.331 1.00 0.00 N ATOM 651 CA TRP A 44 -1.044 -1.437 6.951 1.00 0.00 C ATOM 652 C TRP A 44 -2.060 -0.792 6.014 1.00 0.00 C ATOM 653 O TRP A 44 -2.149 -1.149 4.839 1.00 0.00 O ATOM 654 CB TRP A 44 0.329 -1.483 6.280 1.00 0.00 C ATOM 655 CG TRP A 44 1.463 -1.585 7.255 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.456 -2.238 8.454 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.769 -1.015 7.114 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.679 -2.107 9.067 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.502 -1.363 8.265 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.391 -0.246 6.126 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.824 -0.967 8.453 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.702 0.147 6.314 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.407 -0.215 7.470 1.00 0.00 C ATOM 0 H TRP A 44 -1.514 -3.443 6.557 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.978 -0.834 7.856 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.365 -2.335 5.601 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.460 -0.586 5.674 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.614 -2.778 8.861 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.933 -2.501 9.973 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.856 0.036 5.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.369 -1.244 9.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.192 0.743 5.558 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.431 0.106 7.587 1.00 0.00 H new ATOM 674 N TYR A 45 -2.822 0.161 6.540 1.00 0.00 N ATOM 675 CA TYR A 45 -3.833 0.854 5.750 1.00 0.00 C ATOM 676 C TYR A 45 -3.192 1.620 4.597 1.00 0.00 C ATOM 677 O TYR A 45 -2.405 2.543 4.810 1.00 0.00 O ATOM 678 CB TYR A 45 -4.630 1.815 6.634 1.00 0.00 C ATOM 679 CG TYR A 45 -6.042 2.053 6.150 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.927 0.995 5.983 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.492 3.335 5.862 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.219 1.208 5.540 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.782 3.558 5.419 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.641 2.491 5.260 1.00 0.00 C ATOM 685 OH TYR A 45 -9.927 2.706 4.820 1.00 0.00 O ATOM 0 H TYR A 45 -2.759 0.471 7.510 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.509 0.107 5.335 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.665 1.418 7.649 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.106 2.770 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.600 -0.011 6.203 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.822 4.173 5.986 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.894 0.375 5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.115 4.561 5.199 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.065 3.664 4.669 1.00 0.00 H new ATOM 695 N ILE A 46 -3.535 1.228 3.374 1.00 0.00 N ATOM 696 CA ILE A 46 -2.994 1.879 2.186 1.00 0.00 C ATOM 697 C ILE A 46 -4.113 2.361 1.267 1.00 0.00 C ATOM 698 O ILE A 46 -5.274 1.986 1.436 1.00 0.00 O ATOM 699 CB ILE A 46 -2.070 0.932 1.398 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.826 -0.337 0.996 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.841 0.584 2.222 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.265 -1.010 -0.237 1.00 0.00 C ATOM 0 H ILE A 46 -4.183 0.465 3.180 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.415 2.736 2.530 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.743 1.440 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.803 -1.042 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.872 -0.086 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.198 -0.086 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.294 1.496 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.149 0.092 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.850 -1.902 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.313 -0.322 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.228 -1.292 -0.057 1.00 0.00 H new ATOM 714 N ARG A 47 -3.754 3.192 0.294 1.00 0.00 N ATOM 715 CA ARG A 47 -4.727 3.725 -0.652 1.00 0.00 C ATOM 716 C ARG A 47 -4.292 3.454 -2.090 1.00 0.00 C ATOM 717 O ARG A 47 -3.212 3.869 -2.511 1.00 0.00 O ATOM 718 CB ARG A 47 -4.908 5.228 -0.438 1.00 0.00 C ATOM 719 CG ARG A 47 -5.596 5.930 -1.597 1.00 0.00 C ATOM 720 CD ARG A 47 -6.359 7.160 -1.130 1.00 0.00 C ATOM 721 NE ARG A 47 -5.527 8.361 -1.150 1.00 0.00 N ATOM 722 CZ ARG A 47 -5.923 9.538 -0.677 1.00 0.00 C ATOM 723 NH1 ARG A 47 -7.131 9.671 -0.148 1.00 0.00 N ATOM 724 NH2 ARG A 47 -5.108 10.583 -0.731 1.00 0.00 N ATOM 0 H ARG A 47 -2.797 3.511 0.140 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.679 3.223 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.489 5.390 0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.931 5.684 -0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.853 6.222 -2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.282 5.239 -2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.229 7.311 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.731 6.994 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.591 8.292 -1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.759 8.869 -0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.432 10.576 0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.177 10.483 -1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.412 11.486 -0.368 1.00 0.00 H new ATOM 738 N TYR A 48 -5.140 2.756 -2.837 1.00 0.00 N ATOM 739 CA TYR A 48 -4.841 2.427 -4.226 1.00 0.00 C ATOM 740 C TYR A 48 -6.046 2.701 -5.121 1.00 0.00 C ATOM 741 O TYR A 48 -7.164 2.279 -4.824 1.00 0.00 O ATOM 742 CB TYR A 48 -4.425 0.960 -4.347 1.00 0.00 C ATOM 743 CG TYR A 48 -4.282 0.487 -5.775 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.565 1.231 -6.706 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.861 -0.704 -6.196 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.432 0.803 -8.013 1.00 0.00 C ATOM 747 CE2 TYR A 48 -4.732 -1.140 -7.499 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.017 -0.383 -8.405 1.00 0.00 C ATOM 749 OH TYR A 48 -3.886 -0.814 -9.705 1.00 0.00 O ATOM 0 H TYR A 48 -6.039 2.407 -2.505 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.016 3.059 -4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.477 0.816 -3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.163 0.339 -3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.104 2.159 -6.402 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.422 -1.299 -5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.873 1.394 -8.724 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.188 -2.069 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.356 -1.667 -9.816 1.00 0.00 H new ATOM 759 N LEU A 49 -5.810 3.409 -6.220 1.00 0.00 N ATOM 760 CA LEU A 49 -6.874 3.740 -7.161 1.00 0.00 C ATOM 761 C LEU A 49 -7.954 4.582 -6.489 1.00 0.00 C ATOM 762 O LEU A 49 -9.142 4.421 -6.761 1.00 0.00 O ATOM 763 CB LEU A 49 -7.492 2.462 -7.732 1.00 0.00 C ATOM 764 CG LEU A 49 -6.735 1.812 -8.890 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.268 0.412 -9.157 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.836 2.670 -10.143 1.00 0.00 C ATOM 0 H LEU A 49 -4.891 3.765 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.438 4.322 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.580 1.733 -6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.504 2.690 -8.067 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.684 1.733 -8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.717 -0.035 -9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.143 -0.201 -8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.326 0.468 -9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.291 2.191 -10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.883 2.782 -10.424 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.406 3.652 -9.947 1.00 0.00 H new ATOM 778 N GLY A 50 -7.530 5.485 -5.609 1.00 0.00 N ATOM 779 CA GLY A 50 -8.472 6.342 -4.912 1.00 0.00 C ATOM 780 C GLY A 50 -9.389 5.565 -3.988 1.00 0.00 C ATOM 781 O GLY A 50 -10.560 5.909 -3.831 1.00 0.00 O ATOM 0 H GLY A 50 -6.551 5.638 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.923 7.085 -4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.072 6.886 -5.641 1.00 0.00 H new ATOM 785 N LYS A 51 -8.856 4.512 -3.377 1.00 0.00 N ATOM 786 CA LYS A 51 -9.633 3.684 -2.463 1.00 0.00 C ATOM 787 C LYS A 51 -8.790 3.256 -1.266 1.00 0.00 C ATOM 788 O LYS A 51 -7.711 2.688 -1.427 1.00 0.00 O ATOM 789 CB LYS A 51 -10.167 2.448 -3.193 1.00 0.00 C ATOM 790 CG LYS A 51 -11.337 1.784 -2.488 1.00 0.00 C ATOM 791 CD LYS A 51 -11.490 0.331 -2.909 1.00 0.00 C ATOM 792 CE LYS A 51 -12.379 0.197 -4.135 1.00 0.00 C ATOM 793 NZ LYS A 51 -12.246 -1.143 -4.772 1.00 0.00 N ATOM 0 H LYS A 51 -7.889 4.212 -3.499 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.473 4.276 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.475 2.735 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.360 1.723 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.191 1.838 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.255 2.328 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.508 -0.093 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.914 -0.245 -2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.418 0.362 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.120 0.970 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.868 -1.195 -5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.260 -1.291 -5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.518 -1.880 -4.090 1.00 0.00 H new ATOM 807 N GLU A 52 -9.293 3.531 -0.067 1.00 0.00 N ATOM 808 CA GLU A 52 -8.585 3.172 1.157 1.00 0.00 C ATOM 809 C GLU A 52 -9.087 1.839 1.706 1.00 0.00 C ATOM 810 O GLU A 52 -10.282 1.661 1.937 1.00 0.00 O ATOM 811 CB GLU A 52 -8.758 4.268 2.211 1.00 0.00 C ATOM 812 CG GLU A 52 -8.289 5.637 1.749 1.00 0.00 C ATOM 813 CD GLU A 52 -8.892 6.766 2.563 1.00 0.00 C ATOM 814 OE1 GLU A 52 -10.058 6.632 2.989 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.198 7.782 2.773 1.00 0.00 O ATOM 0 H GLU A 52 -10.186 4.000 0.083 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.526 3.070 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.810 4.329 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.206 3.988 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.202 5.686 1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.550 5.771 0.699 1.00 0.00 H new ATOM 822 N GLY A 53 -8.163 0.905 1.912 1.00 0.00 N ATOM 823 CA GLY A 53 -8.531 -0.399 2.431 1.00 0.00 C ATOM 824 C GLY A 53 -7.447 -1.002 3.303 1.00 0.00 C ATOM 825 O GLY A 53 -6.439 -0.356 3.587 1.00 0.00 O ATOM 0 H GLY A 53 -7.167 1.028 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.451 -0.310 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.741 -1.072 1.599 1.00 0.00 H new ATOM 829 N TRP A 54 -7.654 -2.243 3.727 1.00 0.00 N ATOM 830 CA TRP A 54 -6.687 -2.933 4.573 1.00 0.00 C ATOM 831 C TRP A 54 -5.851 -3.913 3.757 1.00 0.00 C ATOM 832 O TRP A 54 -6.385 -4.831 3.136 1.00 0.00 O ATOM 833 CB TRP A 54 -7.403 -3.674 5.703 1.00 0.00 C ATOM 834 CG TRP A 54 -7.703 -2.805 6.887 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.935 -2.509 7.396 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.753 -2.118 7.708 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.808 -1.680 8.484 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.479 -1.425 8.696 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.358 -2.022 7.706 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.857 -0.647 9.669 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.743 -1.250 8.673 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.491 -0.572 9.644 1.00 0.00 C ATOM 0 H TRP A 54 -8.483 -2.792 3.499 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.021 -2.185 5.003 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.335 -4.090 5.321 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.787 -4.514 6.025 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.872 -2.873 7.001 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.578 -1.314 9.043 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.772 -2.542 6.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.432 -0.121 10.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.666 -1.168 8.680 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.980 0.021 10.387 1.00 0.00 H new ATOM 853 N ALA A 55 -4.537 -3.711 3.762 1.00 0.00 N ATOM 854 CA ALA A 55 -3.628 -4.578 3.024 1.00 0.00 C ATOM 855 C ALA A 55 -2.514 -5.101 3.925 1.00 0.00 C ATOM 856 O ALA A 55 -2.027 -4.406 4.816 1.00 0.00 O ATOM 857 CB ALA A 55 -3.041 -3.835 1.833 1.00 0.00 C ATOM 0 H ALA A 55 -4.079 -2.954 4.269 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.197 -5.434 2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.364 -4.495 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.846 -3.517 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.493 -2.961 2.184 1.00 0.00 H new ATOM 863 N PRO A 56 -2.101 -6.355 3.690 1.00 0.00 N ATOM 864 CA PRO A 56 -1.041 -6.999 4.471 1.00 0.00 C ATOM 865 C PRO A 56 0.331 -6.392 4.196 1.00 0.00 C ATOM 866 O PRO A 56 0.742 -6.261 3.044 1.00 0.00 O ATOM 867 CB PRO A 56 -1.086 -8.454 3.999 1.00 0.00 C ATOM 868 CG PRO A 56 -1.668 -8.390 2.628 1.00 0.00 C ATOM 869 CD PRO A 56 -2.638 -7.242 2.644 1.00 0.00 C ATOM 0 HA PRO A 56 -1.195 -6.880 5.543 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.090 -8.897 3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.699 -9.066 4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.890 -8.233 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.171 -9.323 2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.683 -6.741 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.649 -7.574 2.879 1.00 0.00 H new ATOM 877 N ALA A 57 1.035 -6.024 5.262 1.00 0.00 N ATOM 878 CA ALA A 57 2.361 -5.433 5.135 1.00 0.00 C ATOM 879 C ALA A 57 3.320 -6.385 4.427 1.00 0.00 C ATOM 880 O ALA A 57 4.382 -5.976 3.960 1.00 0.00 O ATOM 881 CB ALA A 57 2.904 -5.056 6.504 1.00 0.00 C ATOM 0 H ALA A 57 0.709 -6.125 6.223 1.00 0.00 H new ATOM 0 HA ALA A 57 2.273 -4.530 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.895 -4.616 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.236 -4.334 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.970 -5.948 7.127 1.00 0.00 H new ATOM 887 N SER A 58 2.936 -7.655 4.351 1.00 0.00 N ATOM 888 CA SER A 58 3.766 -8.666 3.703 1.00 0.00 C ATOM 889 C SER A 58 3.781 -8.467 2.191 1.00 0.00 C ATOM 890 O SER A 58 4.725 -8.871 1.510 1.00 0.00 O ATOM 891 CB SER A 58 3.254 -10.067 4.040 1.00 0.00 C ATOM 892 OG SER A 58 3.672 -10.465 5.334 1.00 0.00 O ATOM 0 H SER A 58 2.057 -8.009 4.729 1.00 0.00 H new ATOM 0 HA SER A 58 4.785 -8.560 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.165 -10.083 3.985 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.621 -10.779 3.301 1.00 0.00 H new ATOM 0 HG SER A 58 3.330 -11.363 5.526 1.00 0.00 H new ATOM 898 N TYR A 59 2.731 -7.843 1.671 1.00 0.00 N ATOM 899 CA TYR A 59 2.620 -7.592 0.239 1.00 0.00 C ATOM 900 C TYR A 59 2.975 -6.145 -0.090 1.00 0.00 C ATOM 901 O TYR A 59 2.572 -5.615 -1.126 1.00 0.00 O ATOM 902 CB TYR A 59 1.205 -7.905 -0.248 1.00 0.00 C ATOM 903 CG TYR A 59 0.837 -9.369 -0.142 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.814 -10.011 1.090 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.515 -10.108 -1.273 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.480 -11.348 1.192 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.179 -11.445 -1.180 1.00 0.00 C ATOM 908 CZ TYR A 59 0.163 -12.060 0.054 1.00 0.00 C ATOM 909 OH TYR A 59 -0.171 -13.392 0.151 1.00 0.00 O ATOM 0 H TYR A 59 1.943 -7.501 2.221 1.00 0.00 H new ATOM 0 HA TYR A 59 3.326 -8.246 -0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.492 -7.317 0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.109 -7.589 -1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.061 -9.456 1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.527 -9.630 -2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.467 -11.833 2.157 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.070 -12.005 -2.069 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.368 -13.746 -0.742 1.00 0.00 H new ATOM 919 N LEU A 60 3.732 -5.512 0.800 1.00 0.00 N ATOM 920 CA LEU A 60 4.143 -4.126 0.606 1.00 0.00 C ATOM 921 C LEU A 60 5.601 -3.930 1.005 1.00 0.00 C ATOM 922 O LEU A 60 6.050 -4.441 2.031 1.00 0.00 O ATOM 923 CB LEU A 60 3.248 -3.189 1.419 1.00 0.00 C ATOM 924 CG LEU A 60 1.743 -3.437 1.313 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.000 -2.691 2.410 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.230 -3.022 -0.059 1.00 0.00 C ATOM 0 H LEU A 60 4.073 -5.936 1.662 1.00 0.00 H new ATOM 0 HA LEU A 60 4.041 -3.887 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.535 -3.264 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.450 -2.165 1.106 1.00 0.00 H new ATOM 0 HG LEU A 60 1.560 -4.504 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.070 -2.880 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.347 -3.036 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.189 -1.622 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.157 -3.205 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.426 -1.961 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.739 -3.602 -0.829 1.00 0.00 H new ATOM 938 N LYS A 61 6.337 -3.182 0.190 1.00 0.00 N ATOM 939 CA LYS A 61 7.745 -2.914 0.458 1.00 0.00 C ATOM 940 C LYS A 61 8.062 -1.434 0.270 1.00 0.00 C ATOM 941 O LYS A 61 7.692 -0.831 -0.737 1.00 0.00 O ATOM 942 CB LYS A 61 8.631 -3.757 -0.462 1.00 0.00 C ATOM 943 CG LYS A 61 8.582 -3.324 -1.917 1.00 0.00 C ATOM 944 CD LYS A 61 9.576 -4.100 -2.764 1.00 0.00 C ATOM 945 CE LYS A 61 10.944 -3.434 -2.769 1.00 0.00 C ATOM 946 NZ LYS A 61 11.778 -3.869 -1.615 1.00 0.00 N ATOM 0 H LYS A 61 5.981 -2.750 -0.663 1.00 0.00 H new ATOM 0 HA LYS A 61 7.949 -3.183 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.661 -3.703 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.324 -4.801 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.575 -3.473 -2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.797 -2.258 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.666 -5.116 -2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.204 -4.176 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.460 -3.671 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.821 -2.351 -2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.780 -3.872 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.641 -3.212 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.497 -4.827 -1.325 1.00 0.00 H new ATOM 960 N LYS A 62 8.751 -0.853 1.248 1.00 0.00 N ATOM 961 CA LYS A 62 9.120 0.556 1.190 1.00 0.00 C ATOM 962 C LYS A 62 9.944 0.852 -0.060 1.00 0.00 C ATOM 963 O LYS A 62 11.014 0.279 -0.260 1.00 0.00 O ATOM 964 CB LYS A 62 9.913 0.949 2.439 1.00 0.00 C ATOM 965 CG LYS A 62 10.410 2.383 2.419 1.00 0.00 C ATOM 966 CD LYS A 62 9.272 3.371 2.617 1.00 0.00 C ATOM 967 CE LYS A 62 9.666 4.772 2.174 1.00 0.00 C ATOM 968 NZ LYS A 62 10.486 5.468 3.204 1.00 0.00 N ATOM 0 H LYS A 62 9.064 -1.337 2.089 1.00 0.00 H new ATOM 0 HA LYS A 62 8.203 1.144 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.285 0.803 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.767 0.279 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.154 2.522 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.906 2.584 1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.400 3.041 2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.983 3.388 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.227 4.714 1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.768 5.355 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.007 6.344 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.606 4.847 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.419 5.699 2.807 1.00 0.00 H new ATOM 982 N ALA A 63 9.437 1.752 -0.897 1.00 0.00 N ATOM 983 CA ALA A 63 10.127 2.126 -2.125 1.00 0.00 C ATOM 984 C ALA A 63 11.285 3.077 -1.836 1.00 0.00 C ATOM 985 O ALA A 63 11.194 4.278 -2.090 1.00 0.00 O ATOM 986 CB ALA A 63 9.152 2.761 -3.105 1.00 0.00 C ATOM 0 H ALA A 63 8.551 2.235 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 63 10.537 1.221 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.681 3.036 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.361 2.050 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.715 3.653 -2.657 1.00 0.00 H new ATOM 992 N LYS A 64 12.373 2.531 -1.304 1.00 0.00 N ATOM 993 CA LYS A 64 13.550 3.329 -0.982 1.00 0.00 C ATOM 994 C LYS A 64 14.716 2.977 -1.901 1.00 0.00 C ATOM 995 O LYS A 64 15.661 2.303 -1.489 1.00 0.00 O ATOM 996 CB LYS A 64 13.954 3.113 0.478 1.00 0.00 C ATOM 997 CG LYS A 64 13.859 1.664 0.927 1.00 0.00 C ATOM 998 CD LYS A 64 14.621 1.430 2.220 1.00 0.00 C ATOM 999 CE LYS A 64 15.046 -0.025 2.360 1.00 0.00 C ATOM 1000 NZ LYS A 64 16.199 -0.353 1.477 1.00 0.00 N ATOM 0 H LYS A 64 12.464 1.539 -1.087 1.00 0.00 H new ATOM 0 HA LYS A 64 13.298 4.379 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.977 3.462 0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.318 3.725 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.812 1.393 1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.255 1.014 0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.502 2.072 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.996 1.711 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.314 -0.227 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.205 -0.674 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.577 -1.288 1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.885 -0.365 0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.942 0.365 1.595 1.00 0.00 H new ATOM 1014 N ASP A 65 14.643 3.436 -3.145 1.00 0.00 N ATOM 1015 CA ASP A 65 15.693 3.172 -4.121 1.00 0.00 C ATOM 1016 C ASP A 65 17.061 3.550 -3.564 1.00 0.00 C ATOM 1017 O ASP A 65 17.303 4.706 -3.217 1.00 0.00 O ATOM 1018 CB ASP A 65 15.423 3.944 -5.414 1.00 0.00 C ATOM 1019 CG ASP A 65 16.424 3.616 -6.504 1.00 0.00 C ATOM 1020 OD1 ASP A 65 17.629 3.512 -6.191 1.00 0.00 O ATOM 1021 OD2 ASP A 65 16.003 3.461 -7.669 1.00 0.00 O ATOM 0 H ASP A 65 13.867 3.993 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 65 15.692 2.104 -4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.418 3.715 -5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.452 5.014 -5.208 1.00 0.00 H new ATOM 1026 N SER A 66 17.952 2.567 -3.478 1.00 0.00 N ATOM 1027 CA SER A 66 19.294 2.795 -2.957 1.00 0.00 C ATOM 1028 C SER A 66 20.337 2.077 -3.808 1.00 0.00 C ATOM 1029 O SER A 66 20.023 1.126 -4.523 1.00 0.00 O ATOM 1030 CB SER A 66 19.389 2.321 -1.506 1.00 0.00 C ATOM 1031 OG SER A 66 20.618 2.714 -0.920 1.00 0.00 O ATOM 0 H SER A 66 17.768 1.605 -3.763 1.00 0.00 H new ATOM 0 HA SER A 66 19.494 3.866 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 66 18.560 2.733 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.295 1.236 -1.468 1.00 0.00 H new ATOM 0 HG SER A 66 20.653 2.400 0.008 1.00 0.00 H new ATOM 1037 N GLY A 67 21.581 2.541 -3.726 1.00 0.00 N ATOM 1038 CA GLY A 67 22.651 1.932 -4.494 1.00 0.00 C ATOM 1039 C GLY A 67 23.536 1.039 -3.647 1.00 0.00 C ATOM 1040 O GLY A 67 23.319 0.872 -2.446 1.00 0.00 O ATOM 0 H GLY A 67 21.866 3.327 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 67 22.223 1.347 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 67 23.258 2.714 -4.949 1.00 0.00 H new ATOM 1044 N PRO A 68 24.560 0.445 -4.277 1.00 0.00 N ATOM 1045 CA PRO A 68 25.501 -0.447 -3.594 1.00 0.00 C ATOM 1046 C PRO A 68 26.406 0.302 -2.620 1.00 0.00 C ATOM 1047 O PRO A 68 26.776 -0.225 -1.571 1.00 0.00 O ATOM 1048 CB PRO A 68 26.324 -1.042 -4.739 1.00 0.00 C ATOM 1049 CG PRO A 68 26.239 -0.031 -5.830 1.00 0.00 C ATOM 1050 CD PRO A 68 24.879 0.598 -5.707 1.00 0.00 C ATOM 0 HA PRO A 68 24.987 -1.194 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 68 27.357 -1.213 -4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 68 25.922 -2.004 -5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 68 27.025 0.717 -5.731 1.00 0.00 H new ATOM 0 HG3 PRO A 68 26.366 -0.499 -6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 68 24.893 1.646 -6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 68 24.146 0.096 -6.338 1.00 0.00 H new ATOM 1058 N SER A 69 26.759 1.533 -2.976 1.00 0.00 N ATOM 1059 CA SER A 69 27.624 2.353 -2.135 1.00 0.00 C ATOM 1060 C SER A 69 26.830 2.992 -1.000 1.00 0.00 C ATOM 1061 O SER A 69 25.621 3.195 -1.110 1.00 0.00 O ATOM 1062 CB SER A 69 28.303 3.438 -2.972 1.00 0.00 C ATOM 1063 OG SER A 69 28.994 4.361 -2.147 1.00 0.00 O ATOM 0 H SER A 69 26.460 1.984 -3.840 1.00 0.00 H new ATOM 0 HA SER A 69 28.388 1.707 -1.702 1.00 0.00 H new ATOM 0 HB2 SER A 69 29.000 2.978 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 69 27.556 3.965 -3.566 1.00 0.00 H new ATOM 0 HG SER A 69 29.421 5.043 -2.706 1.00 0.00 H new ATOM 1069 N SER A 70 27.520 3.307 0.092 1.00 0.00 N ATOM 1070 CA SER A 70 26.881 3.921 1.250 1.00 0.00 C ATOM 1071 C SER A 70 26.972 5.442 1.180 1.00 0.00 C ATOM 1072 O SER A 70 28.065 6.008 1.145 1.00 0.00 O ATOM 1073 CB SER A 70 27.527 3.418 2.542 1.00 0.00 C ATOM 1074 OG SER A 70 27.027 2.142 2.900 1.00 0.00 O ATOM 0 H SER A 70 28.522 3.147 0.199 1.00 0.00 H new ATOM 0 HA SER A 70 25.828 3.638 1.245 1.00 0.00 H new ATOM 0 HB2 SER A 70 28.608 3.366 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 70 27.335 4.126 3.348 1.00 0.00 H new ATOM 0 HG SER A 70 27.457 1.843 3.728 1.00 0.00 H new ATOM 1080 N GLY A 71 25.817 6.099 1.160 1.00 0.00 N ATOM 1081 CA GLY A 71 25.788 7.548 1.094 1.00 0.00 C ATOM 1082 C GLY A 71 25.685 8.062 -0.328 1.00 0.00 C ATOM 1083 O GLY A 71 26.600 8.720 -0.826 1.00 0.00 O ATOM 0 H GLY A 71 24.900 5.653 1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 71 24.942 7.918 1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 71 26.690 7.948 1.557 1.00 0.00 H new TER 1087 GLY A 71