USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 54 SER OG : rot 156:sc= 0.776 USER MOD Set 1.2: A 90 GLN : amide:sc= 0.691 K(o=1.5,f=-0.8) USER MOD Set 2.1: A 29 TYR OH : rot 70:sc= 0.606 USER MOD Set 2.2: A 97 THR OG1 : rot -116:sc= 0.429 USER MOD Single : A 9 SER OG : rot 180:sc= -0.209 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= 0.00388 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.421 K(o=-0.42,f=-1.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.124 K(o=0.12,f=-6.4!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.644 USER MOD Single : A 47 ASN : amide:sc= 0.0677 K(o=0.068,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.372 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.81 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.06! C(o=-2.1!,f=-2.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0458 K(o=-0.046,f=-1.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.561 USER MOD Single : A 72 SER OG : rot 180:sc= 0.125 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.524 USER MOD Single : A 80 ASN : amide:sc= -3.66! C(o=-3.7!,f=-5.3!) USER MOD Single : A 81 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.372 USER MOD Single : A 89 HIS : no HD1:sc= -0.788 K(o=-0.08,f=-6.3!) USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0245) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.313 5.179 -7.612 1.00 25.22 N ATOM 64 CA VAL A 7 8.720 5.799 -8.792 1.00 35.02 C ATOM 65 C VAL A 7 9.313 7.181 -9.043 1.00 44.33 C ATOM 66 O VAL A 7 9.767 7.483 -10.148 1.00 4.12 O ATOM 67 CB VAL A 7 7.192 5.926 -8.652 1.00 4.42 C ATOM 68 CG1 VAL A 7 6.599 6.617 -9.869 1.00 71.24 C ATOM 69 CG2 VAL A 7 6.561 4.556 -8.446 1.00 73.33 C ATOM 0 HA VAL A 7 8.947 5.150 -9.638 1.00 35.02 H new ATOM 0 HB VAL A 7 6.975 6.537 -7.776 1.00 4.42 H new ATOM 0 HG11 VAL A 7 5.518 6.697 -9.751 1.00 71.24 H new ATOM 0 HG12 VAL A 7 7.029 7.614 -9.967 1.00 71.24 H new ATOM 0 HG13 VAL A 7 6.824 6.036 -10.763 1.00 71.24 H new ATOM 0 HG21 VAL A 7 5.481 4.664 -8.349 1.00 73.33 H new ATOM 0 HG22 VAL A 7 6.787 3.919 -9.301 1.00 73.33 H new ATOM 0 HG23 VAL A 7 6.963 4.103 -7.540 1.00 73.33 H new ATOM 79 N LEU A 8 9.307 8.017 -8.012 1.00 11.05 N ATOM 80 CA LEU A 8 9.845 9.369 -8.119 1.00 73.41 C ATOM 81 C LEU A 8 11.170 9.489 -7.375 1.00 55.51 C ATOM 82 O LEU A 8 11.328 8.955 -6.277 1.00 42.20 O ATOM 83 CB LEU A 8 8.843 10.384 -7.566 1.00 2.44 C ATOM 84 CG LEU A 8 7.406 10.252 -8.071 1.00 52.22 C ATOM 85 CD1 LEU A 8 6.567 11.435 -7.611 1.00 12.30 C ATOM 86 CD2 LEU A 8 7.382 10.137 -9.588 1.00 31.20 C ATOM 0 H LEU A 8 8.935 7.783 -7.091 1.00 11.05 H new ATOM 0 HA LEU A 8 10.022 9.580 -9.174 1.00 73.41 H new ATOM 0 HB2 LEU A 8 8.834 10.301 -6.479 1.00 2.44 H new ATOM 0 HB3 LEU A 8 9.201 11.385 -7.806 1.00 2.44 H new ATOM 0 HG LEU A 8 6.976 9.343 -7.651 1.00 52.22 H new ATOM 0 HD11 LEU A 8 5.547 11.323 -7.980 1.00 12.30 H new ATOM 0 HD12 LEU A 8 6.557 11.472 -6.522 1.00 12.30 H new ATOM 0 HD13 LEU A 8 6.995 12.358 -8.001 1.00 12.30 H new ATOM 0 HD21 LEU A 8 6.351 10.044 -9.930 1.00 31.20 H new ATOM 0 HD22 LEU A 8 7.831 11.028 -10.028 1.00 31.20 H new ATOM 0 HD23 LEU A 8 7.947 9.257 -9.895 1.00 31.20 H new ATOM 98 N SER A 9 12.121 10.194 -7.979 1.00 75.11 N ATOM 99 CA SER A 9 13.435 10.383 -7.374 1.00 62.11 C ATOM 100 C SER A 9 13.443 11.608 -6.465 1.00 71.22 C ATOM 101 O SER A 9 12.457 12.338 -6.379 1.00 21.12 O ATOM 102 CB SER A 9 14.503 10.532 -8.460 1.00 31.11 C ATOM 103 OG SER A 9 14.550 11.861 -8.950 1.00 21.23 O ATOM 0 H SER A 9 12.006 10.644 -8.887 1.00 75.11 H new ATOM 0 HA SER A 9 13.660 9.503 -6.771 1.00 62.11 H new ATOM 0 HB2 SER A 9 15.477 10.255 -8.057 1.00 31.11 H new ATOM 0 HB3 SER A 9 14.291 9.846 -9.280 1.00 31.11 H new ATOM 0 HG SER A 9 15.241 11.931 -9.641 1.00 21.23 H new ATOM 109 N GLY A 10 14.566 11.826 -5.787 1.00 63.30 N ATOM 110 CA GLY A 10 14.683 12.963 -4.892 1.00 15.10 C ATOM 111 C GLY A 10 14.234 14.258 -5.538 1.00 61.32 C ATOM 112 O GLY A 10 13.566 15.076 -4.908 1.00 25.42 O ATOM 0 H GLY A 10 15.396 11.236 -5.841 1.00 63.30 H new ATOM 0 HA2 GLY A 10 14.086 12.781 -3.998 1.00 15.10 H new ATOM 0 HA3 GLY A 10 15.719 13.062 -4.569 1.00 15.10 H new ATOM 116 N GLY A 11 14.604 14.447 -6.802 1.00 22.31 N ATOM 117 CA GLY A 11 14.228 15.656 -7.513 1.00 4.43 C ATOM 118 C GLY A 11 12.765 15.663 -7.906 1.00 63.44 C ATOM 119 O GLY A 11 12.048 16.627 -7.636 1.00 73.30 O ATOM 0 H GLY A 11 15.157 13.785 -7.346 1.00 22.31 H new ATOM 0 HA2 GLY A 11 14.437 16.523 -6.886 1.00 4.43 H new ATOM 0 HA3 GLY A 11 14.842 15.754 -8.408 1.00 4.43 H new ATOM 123 N GLU A 12 12.320 14.589 -8.550 1.00 2.45 N ATOM 124 CA GLU A 12 10.932 14.479 -8.984 1.00 50.45 C ATOM 125 C GLU A 12 9.981 14.569 -7.795 1.00 70.31 C ATOM 126 O GLU A 12 8.901 15.155 -7.892 1.00 14.44 O ATOM 127 CB GLU A 12 10.711 13.160 -9.728 1.00 61.25 C ATOM 128 CG GLU A 12 11.786 12.855 -10.759 1.00 45.01 C ATOM 129 CD GLU A 12 11.536 11.553 -11.494 1.00 41.30 C ATOM 130 OE1 GLU A 12 11.484 10.497 -10.829 1.00 1.04 O ATOM 131 OE2 GLU A 12 11.392 11.589 -12.735 1.00 13.14 O ATOM 0 H GLU A 12 12.900 13.783 -8.783 1.00 2.45 H new ATOM 0 HA GLU A 12 10.722 15.309 -9.658 1.00 50.45 H new ATOM 0 HB2 GLU A 12 10.673 12.346 -9.004 1.00 61.25 H new ATOM 0 HB3 GLU A 12 9.741 13.191 -10.225 1.00 61.25 H new ATOM 0 HG2 GLU A 12 11.835 13.671 -11.480 1.00 45.01 H new ATOM 0 HG3 GLU A 12 12.756 12.808 -10.264 1.00 45.01 H new ATOM 138 N LEU A 13 10.388 13.986 -6.673 1.00 54.01 N ATOM 139 CA LEU A 13 9.573 14.000 -5.464 1.00 12.22 C ATOM 140 C LEU A 13 9.201 15.426 -5.073 1.00 34.11 C ATOM 141 O LEU A 13 8.041 15.721 -4.789 1.00 44.11 O ATOM 142 CB LEU A 13 10.320 13.322 -4.314 1.00 32.55 C ATOM 143 CG LEU A 13 9.450 12.741 -3.197 1.00 75.15 C ATOM 144 CD1 LEU A 13 8.598 13.830 -2.564 1.00 63.14 C ATOM 145 CD2 LEU A 13 8.575 11.619 -3.734 1.00 40.23 C ATOM 0 H LEU A 13 11.278 13.497 -6.576 1.00 54.01 H new ATOM 0 HA LEU A 13 8.655 13.449 -5.669 1.00 12.22 H new ATOM 0 HB2 LEU A 13 10.930 12.519 -4.727 1.00 32.55 H new ATOM 0 HB3 LEU A 13 11.004 14.048 -3.874 1.00 32.55 H new ATOM 0 HG LEU A 13 10.104 12.328 -2.429 1.00 75.15 H new ATOM 0 HD11 LEU A 13 7.986 13.399 -1.772 1.00 63.14 H new ATOM 0 HD12 LEU A 13 9.245 14.600 -2.144 1.00 63.14 H new ATOM 0 HD13 LEU A 13 7.952 14.273 -3.322 1.00 63.14 H new ATOM 0 HD21 LEU A 13 7.963 11.217 -2.927 1.00 40.23 H new ATOM 0 HD22 LEU A 13 7.928 12.007 -4.521 1.00 40.23 H new ATOM 0 HD23 LEU A 13 9.206 10.828 -4.139 1.00 40.23 H new ATOM 157 N ASP A 14 10.194 16.309 -5.065 1.00 33.44 N ATOM 158 CA ASP A 14 9.972 17.707 -4.713 1.00 25.25 C ATOM 159 C ASP A 14 8.817 18.293 -5.520 1.00 5.43 C ATOM 160 O ASP A 14 7.884 18.870 -4.960 1.00 12.51 O ATOM 161 CB ASP A 14 11.242 18.524 -4.951 1.00 0.32 C ATOM 162 CG ASP A 14 11.241 19.833 -4.186 1.00 55.33 C ATOM 163 OD1 ASP A 14 10.384 19.996 -3.293 1.00 73.32 O ATOM 164 OD2 ASP A 14 12.098 20.692 -4.480 1.00 63.51 O ATOM 0 H ASP A 14 11.161 16.081 -5.298 1.00 33.44 H new ATOM 0 HA ASP A 14 9.714 17.753 -3.655 1.00 25.25 H new ATOM 0 HB2 ASP A 14 12.110 17.935 -4.656 1.00 0.32 H new ATOM 0 HB3 ASP A 14 11.344 18.729 -6.017 1.00 0.32 H new ATOM 169 N LYS A 15 8.886 18.142 -6.838 1.00 30.25 N ATOM 170 CA LYS A 15 7.848 18.655 -7.723 1.00 22.04 C ATOM 171 C LYS A 15 6.488 18.060 -7.369 1.00 61.20 C ATOM 172 O LYS A 15 5.510 18.785 -7.188 1.00 72.42 O ATOM 173 CB LYS A 15 8.190 18.341 -9.180 1.00 62.34 C ATOM 174 CG LYS A 15 8.609 19.560 -9.983 1.00 21.31 C ATOM 175 CD LYS A 15 10.073 19.489 -10.383 1.00 30.23 C ATOM 176 CE LYS A 15 10.732 20.859 -10.332 1.00 12.14 C ATOM 177 NZ LYS A 15 12.170 20.769 -9.955 1.00 51.42 N ATOM 0 H LYS A 15 9.651 17.668 -7.317 1.00 30.25 H new ATOM 0 HA LYS A 15 7.797 19.736 -7.593 1.00 22.04 H new ATOM 0 HB2 LYS A 15 8.994 17.606 -9.205 1.00 62.34 H new ATOM 0 HB3 LYS A 15 7.324 17.882 -9.657 1.00 62.34 H new ATOM 0 HG2 LYS A 15 7.990 19.638 -10.877 1.00 21.31 H new ATOM 0 HG3 LYS A 15 8.435 20.461 -9.395 1.00 21.31 H new ATOM 0 HD2 LYS A 15 10.600 18.805 -9.718 1.00 30.23 H new ATOM 0 HD3 LYS A 15 10.157 19.081 -11.390 1.00 30.23 H new ATOM 0 HE2 LYS A 15 10.641 21.342 -11.305 1.00 12.14 H new ATOM 0 HE3 LYS A 15 10.207 21.488 -9.613 1.00 12.14 H new ATOM 0 HZ1 LYS A 15 12.583 21.723 -9.931 1.00 51.42 H new ATOM 0 HZ2 LYS A 15 12.256 20.331 -9.016 1.00 51.42 H new ATOM 0 HZ3 LYS A 15 12.677 20.190 -10.655 1.00 51.42 H new ATOM 191 N TRP A 16 6.435 16.737 -7.270 1.00 2.22 N ATOM 192 CA TRP A 16 5.195 16.044 -6.936 1.00 24.30 C ATOM 193 C TRP A 16 4.530 16.677 -5.718 1.00 50.24 C ATOM 194 O TRP A 16 3.390 17.133 -5.790 1.00 64.14 O ATOM 195 CB TRP A 16 5.469 14.564 -6.673 1.00 3.34 C ATOM 196 CG TRP A 16 4.235 13.782 -6.336 1.00 14.25 C ATOM 197 CD1 TRP A 16 3.863 13.329 -5.102 1.00 61.50 C ATOM 198 CD2 TRP A 16 3.212 13.360 -7.245 1.00 54.03 C ATOM 199 NE1 TRP A 16 2.671 12.652 -5.190 1.00 3.31 N ATOM 200 CE2 TRP A 16 2.251 12.657 -6.494 1.00 10.02 C ATOM 201 CE3 TRP A 16 3.015 13.511 -8.620 1.00 42.40 C ATOM 202 CZ2 TRP A 16 1.112 12.105 -7.073 1.00 61.12 C ATOM 203 CZ3 TRP A 16 1.884 12.962 -9.194 1.00 53.30 C ATOM 204 CH2 TRP A 16 0.944 12.267 -8.421 1.00 64.34 C ATOM 0 H TRP A 16 7.236 16.122 -7.416 1.00 2.22 H new ATOM 0 HA TRP A 16 4.517 16.134 -7.784 1.00 24.30 H new ATOM 0 HB2 TRP A 16 5.938 14.127 -7.554 1.00 3.34 H new ATOM 0 HB3 TRP A 16 6.183 14.474 -5.854 1.00 3.34 H new ATOM 0 HD1 TRP A 16 4.424 13.481 -4.191 1.00 61.50 H new ATOM 0 HE1 TRP A 16 2.178 12.216 -4.411 1.00 3.31 H new ATOM 0 HE3 TRP A 16 3.733 14.047 -9.223 1.00 42.40 H new ATOM 0 HZ2 TRP A 16 0.387 11.568 -6.479 1.00 61.12 H new ATOM 0 HZ3 TRP A 16 1.722 13.070 -10.256 1.00 53.30 H new ATOM 0 HH2 TRP A 16 0.069 11.851 -8.899 1.00 64.34 H new ATOM 215 N GLU A 17 5.250 16.699 -4.602 1.00 32.34 N ATOM 216 CA GLU A 17 4.728 17.275 -3.368 1.00 34.41 C ATOM 217 C GLU A 17 4.326 18.732 -3.575 1.00 74.33 C ATOM 218 O GLU A 17 3.520 19.280 -2.822 1.00 72.32 O ATOM 219 CB GLU A 17 5.770 17.175 -2.251 1.00 25.40 C ATOM 220 CG GLU A 17 5.797 15.821 -1.563 1.00 43.21 C ATOM 221 CD GLU A 17 6.335 15.896 -0.148 1.00 12.22 C ATOM 222 OE1 GLU A 17 5.742 16.624 0.675 1.00 25.01 O ATOM 223 OE2 GLU A 17 7.349 15.225 0.136 1.00 33.45 O ATOM 0 H GLU A 17 6.196 16.325 -4.526 1.00 32.34 H new ATOM 0 HA GLU A 17 3.842 16.709 -3.080 1.00 34.41 H new ATOM 0 HB2 GLU A 17 6.756 17.382 -2.666 1.00 25.40 H new ATOM 0 HB3 GLU A 17 5.569 17.947 -1.508 1.00 25.40 H new ATOM 0 HG2 GLU A 17 4.789 15.408 -1.543 1.00 43.21 H new ATOM 0 HG3 GLU A 17 6.411 15.134 -2.145 1.00 43.21 H new ATOM 230 N LYS A 18 4.895 19.356 -4.602 1.00 34.33 N ATOM 231 CA LYS A 18 4.598 20.750 -4.910 1.00 21.32 C ATOM 232 C LYS A 18 3.187 20.894 -5.473 1.00 73.11 C ATOM 233 O LYS A 18 2.294 21.417 -4.807 1.00 52.10 O ATOM 234 CB LYS A 18 5.616 21.301 -5.911 1.00 12.02 C ATOM 235 CG LYS A 18 6.269 22.597 -5.463 1.00 53.32 C ATOM 236 CD LYS A 18 6.502 23.537 -6.634 1.00 20.35 C ATOM 237 CE LYS A 18 7.917 23.411 -7.177 1.00 30.45 C ATOM 238 NZ LYS A 18 8.047 24.013 -8.533 1.00 43.55 N ATOM 0 H LYS A 18 5.564 18.918 -5.235 1.00 34.33 H new ATOM 0 HA LYS A 18 4.662 21.322 -3.984 1.00 21.32 H new ATOM 0 HB2 LYS A 18 6.391 20.552 -6.078 1.00 12.02 H new ATOM 0 HB3 LYS A 18 5.120 21.466 -6.868 1.00 12.02 H new ATOM 0 HG2 LYS A 18 5.637 23.087 -4.722 1.00 53.32 H new ATOM 0 HG3 LYS A 18 7.219 22.378 -4.976 1.00 53.32 H new ATOM 0 HD2 LYS A 18 5.786 23.317 -7.426 1.00 20.35 H new ATOM 0 HD3 LYS A 18 6.323 24.565 -6.318 1.00 20.35 H new ATOM 0 HE2 LYS A 18 8.613 23.900 -6.495 1.00 30.45 H new ATOM 0 HE3 LYS A 18 8.198 22.359 -7.219 1.00 30.45 H new ATOM 0 HZ1 LYS A 18 9.028 24.325 -8.682 1.00 43.55 H new ATOM 0 HZ2 LYS A 18 7.796 23.305 -9.253 1.00 43.55 H new ATOM 0 HZ3 LYS A 18 7.408 24.830 -8.613 1.00 43.55 H new ATOM 252 N ILE A 19 2.995 20.425 -6.702 1.00 33.11 N ATOM 253 CA ILE A 19 1.693 20.500 -7.352 1.00 60.02 C ATOM 254 C ILE A 19 0.572 20.159 -6.376 1.00 42.22 C ATOM 255 O ILE A 19 0.737 19.316 -5.495 1.00 33.11 O ATOM 256 CB ILE A 19 1.612 19.550 -8.562 1.00 34.44 C ATOM 257 CG1 ILE A 19 2.672 19.922 -9.602 1.00 31.25 C ATOM 258 CG2 ILE A 19 0.222 19.592 -9.176 1.00 44.44 C ATOM 259 CD1 ILE A 19 3.007 18.796 -10.552 1.00 53.40 C ATOM 0 H ILE A 19 3.724 19.990 -7.267 1.00 33.11 H new ATOM 0 HA ILE A 19 1.571 21.526 -7.698 1.00 60.02 H new ATOM 0 HB ILE A 19 1.806 18.533 -8.221 1.00 34.44 H new ATOM 0 HG12 ILE A 19 2.320 20.779 -10.177 1.00 31.25 H new ATOM 0 HG13 ILE A 19 3.580 20.235 -9.087 1.00 31.25 H new ATOM 0 HG21 ILE A 19 0.181 18.916 -10.030 1.00 44.44 H new ATOM 0 HG22 ILE A 19 -0.513 19.284 -8.433 1.00 44.44 H new ATOM 0 HG23 ILE A 19 0.001 20.607 -9.506 1.00 44.44 H new ATOM 0 HD11 ILE A 19 3.764 19.131 -11.261 1.00 53.40 H new ATOM 0 HD12 ILE A 19 3.389 17.945 -9.988 1.00 53.40 H new ATOM 0 HD13 ILE A 19 2.109 18.498 -11.094 1.00 53.40 H new ATOM 271 N ARG A 20 -0.570 20.818 -6.543 1.00 63.13 N ATOM 272 CA ARG A 20 -1.720 20.583 -5.678 1.00 61.41 C ATOM 273 C ARG A 20 -2.819 19.832 -6.424 1.00 71.10 C ATOM 274 O ARG A 20 -2.799 19.741 -7.652 1.00 63.12 O ATOM 275 CB ARG A 20 -2.266 21.912 -5.149 1.00 1.35 C ATOM 276 CG ARG A 20 -1.438 22.502 -4.019 1.00 65.21 C ATOM 277 CD ARG A 20 -0.541 23.627 -4.514 1.00 42.33 C ATOM 278 NE ARG A 20 -0.239 24.591 -3.460 1.00 23.20 N ATOM 279 CZ ARG A 20 -1.070 25.560 -3.092 1.00 73.51 C ATOM 280 NH1 ARG A 20 -2.246 25.693 -3.689 1.00 51.42 N ATOM 281 NH2 ARG A 20 -0.724 26.400 -2.125 1.00 1.35 N ATOM 0 H ARG A 20 -0.724 21.518 -7.269 1.00 63.13 H new ATOM 0 HA ARG A 20 -1.391 19.971 -4.838 1.00 61.41 H new ATOM 0 HB2 ARG A 20 -2.311 22.629 -5.969 1.00 1.35 H new ATOM 0 HB3 ARG A 20 -3.288 21.763 -4.800 1.00 1.35 H new ATOM 0 HG2 ARG A 20 -2.100 22.879 -3.240 1.00 65.21 H new ATOM 0 HG3 ARG A 20 -0.827 21.720 -3.567 1.00 65.21 H new ATOM 0 HD2 ARG A 20 0.389 23.207 -4.898 1.00 42.33 H new ATOM 0 HD3 ARG A 20 -1.027 24.139 -5.345 1.00 42.33 H new ATOM 0 HE ARG A 20 0.658 24.517 -2.980 1.00 23.20 H new ATOM 0 HH11 ARG A 20 -2.516 25.050 -4.434 1.00 51.42 H new ATOM 0 HH12 ARG A 20 -2.881 26.438 -3.404 1.00 51.42 H new ATOM 0 HH21 ARG A 20 0.180 26.302 -1.664 1.00 1.35 H new ATOM 0 HH22 ARG A 20 -1.362 27.144 -1.843 1.00 1.35 H new ATOM 295 N LEU A 21 -3.775 19.295 -5.675 1.00 4.11 N ATOM 296 CA LEU A 21 -4.882 18.550 -6.265 1.00 45.01 C ATOM 297 C LEU A 21 -5.885 19.495 -6.920 1.00 2.35 C ATOM 298 O LEU A 21 -6.396 19.218 -8.005 1.00 20.21 O ATOM 299 CB LEU A 21 -5.580 17.705 -5.199 1.00 41.22 C ATOM 300 CG LEU A 21 -4.673 17.074 -4.142 1.00 32.45 C ATOM 301 CD1 LEU A 21 -5.484 16.211 -3.189 1.00 51.43 C ATOM 302 CD2 LEU A 21 -3.573 16.256 -4.803 1.00 71.22 C ATOM 0 H LEU A 21 -3.806 19.361 -4.658 1.00 4.11 H new ATOM 0 HA LEU A 21 -4.477 17.891 -7.033 1.00 45.01 H new ATOM 0 HB2 LEU A 21 -6.315 18.330 -4.692 1.00 41.22 H new ATOM 0 HB3 LEU A 21 -6.131 16.908 -5.699 1.00 41.22 H new ATOM 0 HG LEU A 21 -4.207 17.874 -3.566 1.00 32.45 H new ATOM 0 HD11 LEU A 21 -4.822 15.770 -2.444 1.00 51.43 H new ATOM 0 HD12 LEU A 21 -6.234 16.825 -2.690 1.00 51.43 H new ATOM 0 HD13 LEU A 21 -5.979 15.418 -3.749 1.00 51.43 H new ATOM 0 HD21 LEU A 21 -2.937 15.814 -4.036 1.00 71.22 H new ATOM 0 HD22 LEU A 21 -4.020 15.464 -5.404 1.00 71.22 H new ATOM 0 HD23 LEU A 21 -2.973 16.903 -5.443 1.00 71.22 H new ATOM 314 N ARG A 22 -6.162 20.611 -6.253 1.00 71.21 N ATOM 315 CA ARG A 22 -7.103 21.597 -6.771 1.00 2.14 C ATOM 316 C ARG A 22 -6.395 22.910 -7.089 1.00 72.41 C ATOM 317 O ARG A 22 -5.324 23.210 -6.562 1.00 33.33 O ATOM 318 CB ARG A 22 -8.225 21.841 -5.760 1.00 74.25 C ATOM 319 CG ARG A 22 -9.477 21.023 -6.030 1.00 1.35 C ATOM 320 CD ARG A 22 -10.665 21.545 -5.237 1.00 4.21 C ATOM 321 NE ARG A 22 -10.680 21.031 -3.870 1.00 54.12 N ATOM 322 CZ ARG A 22 -10.953 19.768 -3.563 1.00 34.24 C ATOM 323 NH1 ARG A 22 -11.231 18.894 -4.521 1.00 62.31 N ATOM 324 NH2 ARG A 22 -10.947 19.376 -2.295 1.00 75.02 N ATOM 0 H ARG A 22 -5.748 20.855 -5.353 1.00 71.21 H new ATOM 0 HA ARG A 22 -7.532 21.204 -7.693 1.00 2.14 H new ATOM 0 HB2 ARG A 22 -7.858 21.609 -4.760 1.00 74.25 H new ATOM 0 HB3 ARG A 22 -8.485 22.900 -5.767 1.00 74.25 H new ATOM 0 HG2 ARG A 22 -9.708 21.051 -7.095 1.00 1.35 H new ATOM 0 HG3 ARG A 22 -9.295 19.980 -5.770 1.00 1.35 H new ATOM 0 HD2 ARG A 22 -10.635 22.634 -5.214 1.00 4.21 H new ATOM 0 HD3 ARG A 22 -11.589 21.262 -5.741 1.00 4.21 H new ATOM 0 HE ARG A 22 -10.469 21.677 -3.110 1.00 54.12 H new ATOM 0 HH11 ARG A 22 -11.236 19.191 -5.497 1.00 62.31 H new ATOM 0 HH12 ARG A 22 -11.440 17.925 -4.282 1.00 62.31 H new ATOM 0 HH21 ARG A 22 -10.733 20.045 -1.555 1.00 75.02 H new ATOM 0 HH22 ARG A 22 -11.157 18.406 -2.060 1.00 75.02 H new ATOM 338 N PRO A 23 -7.006 23.713 -7.973 1.00 72.24 N ATOM 339 CA PRO A 23 -6.452 25.007 -8.382 1.00 11.25 C ATOM 340 C PRO A 23 -6.503 26.039 -7.261 1.00 30.54 C ATOM 341 O PRO A 23 -5.526 26.741 -7.005 1.00 71.41 O ATOM 342 CB PRO A 23 -7.357 25.430 -9.541 1.00 61.33 C ATOM 343 CG PRO A 23 -8.645 24.726 -9.292 1.00 23.33 C ATOM 344 CD PRO A 23 -8.284 23.419 -8.642 1.00 73.33 C ATOM 0 HA PRO A 23 -5.399 24.933 -8.652 1.00 11.25 H new ATOM 0 HB2 PRO A 23 -7.494 26.511 -9.562 1.00 61.33 H new ATOM 0 HB3 PRO A 23 -6.929 25.144 -10.502 1.00 61.33 H new ATOM 0 HG2 PRO A 23 -9.294 25.317 -8.646 1.00 23.33 H new ATOM 0 HG3 PRO A 23 -9.187 24.562 -10.224 1.00 23.33 H new ATOM 0 HD2 PRO A 23 -9.046 23.100 -7.931 1.00 73.33 H new ATOM 0 HD3 PRO A 23 -8.179 22.620 -9.376 1.00 73.33 H new ATOM 352 N GLY A 24 -7.650 26.126 -6.594 1.00 22.42 N ATOM 353 CA GLY A 24 -7.807 27.076 -5.508 1.00 51.21 C ATOM 354 C GLY A 24 -7.870 26.400 -4.153 1.00 35.44 C ATOM 355 O GLY A 24 -8.689 26.760 -3.308 1.00 31.52 O ATOM 0 H GLY A 24 -8.473 25.555 -6.786 1.00 22.42 H new ATOM 0 HA2 GLY A 24 -6.975 27.780 -5.521 1.00 51.21 H new ATOM 0 HA3 GLY A 24 -8.717 27.655 -5.665 1.00 51.21 H new ATOM 359 N GLY A 25 -7.001 25.415 -3.943 1.00 20.35 N ATOM 360 CA GLY A 25 -6.979 24.702 -2.679 1.00 0.35 C ATOM 361 C GLY A 25 -5.701 24.943 -1.900 1.00 43.13 C ATOM 362 O GLY A 25 -4.895 25.800 -2.263 1.00 14.14 O ATOM 0 H GLY A 25 -6.312 25.098 -4.626 1.00 20.35 H new ATOM 0 HA2 GLY A 25 -7.832 25.012 -2.076 1.00 0.35 H new ATOM 0 HA3 GLY A 25 -7.091 23.634 -2.866 1.00 0.35 H new ATOM 366 N LYS A 26 -5.515 24.185 -0.824 1.00 74.01 N ATOM 367 CA LYS A 26 -4.325 24.319 0.009 1.00 20.31 C ATOM 368 C LYS A 26 -3.666 22.962 0.240 1.00 65.42 C ATOM 369 O LYS A 26 -2.674 22.857 0.960 1.00 31.14 O ATOM 370 CB LYS A 26 -4.689 24.956 1.352 1.00 31.43 C ATOM 371 CG LYS A 26 -5.224 26.373 1.229 1.00 42.55 C ATOM 372 CD LYS A 26 -5.230 27.086 2.570 1.00 12.31 C ATOM 373 CE LYS A 26 -6.642 27.447 3.003 1.00 21.35 C ATOM 374 NZ LYS A 26 -7.123 28.694 2.343 1.00 11.44 N ATOM 0 H LYS A 26 -6.173 23.472 -0.509 1.00 74.01 H new ATOM 0 HA LYS A 26 -3.617 24.962 -0.513 1.00 20.31 H new ATOM 0 HB2 LYS A 26 -5.436 24.336 1.848 1.00 31.43 H new ATOM 0 HB3 LYS A 26 -3.806 24.964 1.992 1.00 31.43 H new ATOM 0 HG2 LYS A 26 -4.613 26.933 0.521 1.00 42.55 H new ATOM 0 HG3 LYS A 26 -6.236 26.347 0.826 1.00 42.55 H new ATOM 0 HD2 LYS A 26 -4.769 26.448 3.324 1.00 12.31 H new ATOM 0 HD3 LYS A 26 -4.626 27.991 2.505 1.00 12.31 H new ATOM 0 HE2 LYS A 26 -7.317 26.625 2.763 1.00 21.35 H new ATOM 0 HE3 LYS A 26 -6.668 27.575 4.085 1.00 21.35 H new ATOM 0 HZ1 LYS A 26 -8.089 28.906 2.664 1.00 11.44 H new ATOM 0 HZ2 LYS A 26 -6.494 29.484 2.592 1.00 11.44 H new ATOM 0 HZ3 LYS A 26 -7.122 28.563 1.311 1.00 11.44 H new ATOM 388 N LYS A 27 -4.225 21.927 -0.378 1.00 11.41 N ATOM 389 CA LYS A 27 -3.690 20.577 -0.243 1.00 4.35 C ATOM 390 C LYS A 27 -2.763 20.240 -1.406 1.00 41.44 C ATOM 391 O LYS A 27 -3.095 20.484 -2.565 1.00 70.34 O ATOM 392 CB LYS A 27 -4.831 19.559 -0.174 1.00 41.12 C ATOM 393 CG LYS A 27 -5.228 19.185 1.244 1.00 23.30 C ATOM 394 CD LYS A 27 -5.154 17.684 1.466 1.00 14.11 C ATOM 395 CE LYS A 27 -3.749 17.247 1.853 1.00 4.35 C ATOM 396 NZ LYS A 27 -3.313 16.043 1.094 1.00 63.15 N ATOM 0 H LYS A 27 -5.048 21.997 -0.977 1.00 11.41 H new ATOM 0 HA LYS A 27 -3.114 20.532 0.682 1.00 4.35 H new ATOM 0 HB2 LYS A 27 -5.701 19.965 -0.691 1.00 41.12 H new ATOM 0 HB3 LYS A 27 -4.535 18.657 -0.709 1.00 41.12 H new ATOM 0 HG2 LYS A 27 -4.572 19.691 1.952 1.00 23.30 H new ATOM 0 HG3 LYS A 27 -6.241 19.534 1.443 1.00 23.30 H new ATOM 0 HD2 LYS A 27 -5.855 17.396 2.250 1.00 14.11 H new ATOM 0 HD3 LYS A 27 -5.461 17.165 0.558 1.00 14.11 H new ATOM 0 HE2 LYS A 27 -3.051 18.064 1.670 1.00 4.35 H new ATOM 0 HE3 LYS A 27 -3.717 17.034 2.921 1.00 4.35 H new ATOM 0 HZ1 LYS A 27 -2.351 15.778 1.387 1.00 63.15 H new ATOM 0 HZ2 LYS A 27 -3.964 15.255 1.289 1.00 63.15 H new ATOM 0 HZ3 LYS A 27 -3.319 16.254 0.076 1.00 63.15 H new ATOM 410 N GLN A 28 -1.603 19.676 -1.087 1.00 74.42 N ATOM 411 CA GLN A 28 -0.629 19.305 -2.108 1.00 20.44 C ATOM 412 C GLN A 28 -0.665 17.804 -2.374 1.00 61.03 C ATOM 413 O GLN A 28 -1.383 17.062 -1.705 1.00 2.25 O ATOM 414 CB GLN A 28 0.777 19.724 -1.678 1.00 34.55 C ATOM 415 CG GLN A 28 0.803 20.986 -0.829 1.00 54.12 C ATOM 416 CD GLN A 28 0.700 20.694 0.655 1.00 3.53 C ATOM 417 OE1 GLN A 28 1.328 19.763 1.162 1.00 72.22 O ATOM 418 NE2 GLN A 28 -0.096 21.488 1.361 1.00 4.35 N ATOM 0 H GLN A 28 -1.314 19.466 -0.132 1.00 74.42 H new ATOM 0 HA GLN A 28 -0.890 19.826 -3.029 1.00 20.44 H new ATOM 0 HB2 GLN A 28 1.234 18.909 -1.117 1.00 34.55 H new ATOM 0 HB3 GLN A 28 1.388 19.881 -2.567 1.00 34.55 H new ATOM 0 HG2 GLN A 28 1.726 21.532 -1.025 1.00 54.12 H new ATOM 0 HG3 GLN A 28 -0.020 21.636 -1.125 1.00 54.12 H new ATOM 0 HE21 GLN A 28 -0.598 22.247 0.900 1.00 4.35 H new ATOM 0 HE22 GLN A 28 -0.206 21.339 2.364 1.00 4.35 H new ATOM 427 N TYR A 29 0.112 17.363 -3.357 1.00 34.33 N ATOM 428 CA TYR A 29 0.167 15.951 -3.714 1.00 1.21 C ATOM 429 C TYR A 29 1.047 15.176 -2.738 1.00 52.01 C ATOM 430 O TYR A 29 2.043 15.694 -2.235 1.00 75.43 O ATOM 431 CB TYR A 29 0.697 15.784 -5.139 1.00 62.40 C ATOM 432 CG TYR A 29 -0.388 15.556 -6.167 1.00 1.41 C ATOM 433 CD1 TYR A 29 -1.098 14.362 -6.201 1.00 43.31 C ATOM 434 CD2 TYR A 29 -0.704 16.532 -7.103 1.00 1.14 C ATOM 435 CE1 TYR A 29 -2.091 14.147 -7.138 1.00 75.41 C ATOM 436 CE2 TYR A 29 -1.696 16.327 -8.042 1.00 32.03 C ATOM 437 CZ TYR A 29 -2.386 15.133 -8.056 1.00 63.04 C ATOM 438 OH TYR A 29 -3.374 14.924 -8.991 1.00 33.43 O ATOM 0 H TYR A 29 0.713 17.964 -3.921 1.00 34.33 H new ATOM 0 HA TYR A 29 -0.845 15.549 -3.660 1.00 1.21 H new ATOM 0 HB2 TYR A 29 1.264 16.674 -5.413 1.00 62.40 H new ATOM 0 HB3 TYR A 29 1.391 14.944 -5.163 1.00 62.40 H new ATOM 0 HD1 TYR A 29 -0.870 13.588 -5.483 1.00 43.31 H new ATOM 0 HD2 TYR A 29 -0.165 17.468 -7.097 1.00 1.14 H new ATOM 0 HE1 TYR A 29 -2.633 13.213 -7.151 1.00 75.41 H new ATOM 0 HE2 TYR A 29 -1.930 17.098 -8.761 1.00 32.03 H new ATOM 0 HH TYR A 29 -4.248 14.918 -8.548 1.00 33.43 H new ATOM 448 N LYS A 30 0.671 13.929 -2.475 1.00 41.24 N ATOM 449 CA LYS A 30 1.424 13.079 -1.562 1.00 12.13 C ATOM 450 C LYS A 30 1.488 11.646 -2.080 1.00 55.21 C ATOM 451 O LYS A 30 0.779 11.282 -3.018 1.00 63.02 O ATOM 452 CB LYS A 30 0.788 13.101 -0.169 1.00 71.34 C ATOM 453 CG LYS A 30 1.797 13.007 0.962 1.00 63.24 C ATOM 454 CD LYS A 30 1.512 14.030 2.049 1.00 50.25 C ATOM 455 CE LYS A 30 2.172 15.365 1.744 1.00 65.32 C ATOM 456 NZ LYS A 30 1.919 16.367 2.816 1.00 33.33 N ATOM 0 H LYS A 30 -0.152 13.485 -2.882 1.00 41.24 H new ATOM 0 HA LYS A 30 2.440 13.469 -1.497 1.00 12.13 H new ATOM 0 HB2 LYS A 30 0.213 14.020 -0.056 1.00 71.34 H new ATOM 0 HB3 LYS A 30 0.085 12.272 -0.087 1.00 71.34 H new ATOM 0 HG2 LYS A 30 1.774 12.005 1.389 1.00 63.24 H new ATOM 0 HG3 LYS A 30 2.802 13.163 0.569 1.00 63.24 H new ATOM 0 HD2 LYS A 30 0.435 14.169 2.146 1.00 50.25 H new ATOM 0 HD3 LYS A 30 1.873 13.655 3.007 1.00 50.25 H new ATOM 0 HE2 LYS A 30 3.246 15.221 1.628 1.00 65.32 H new ATOM 0 HE3 LYS A 30 1.797 15.747 0.794 1.00 65.32 H new ATOM 0 HZ1 LYS A 30 2.386 17.263 2.570 1.00 33.33 H new ATOM 0 HZ2 LYS A 30 0.895 16.524 2.910 1.00 33.33 H new ATOM 0 HZ3 LYS A 30 2.299 16.014 3.717 1.00 33.33 H new ATOM 470 N LEU A 31 2.341 10.836 -1.462 1.00 54.03 N ATOM 471 CA LEU A 31 2.497 9.441 -1.861 1.00 33.34 C ATOM 472 C LEU A 31 1.146 8.735 -1.910 1.00 64.23 C ATOM 473 O LEU A 31 0.894 7.913 -2.792 1.00 30.42 O ATOM 474 CB LEU A 31 3.431 8.714 -0.891 1.00 61.11 C ATOM 475 CG LEU A 31 4.918 9.052 -1.011 1.00 5.24 C ATOM 476 CD1 LEU A 31 5.670 8.590 0.227 1.00 33.04 C ATOM 477 CD2 LEU A 31 5.508 8.420 -2.263 1.00 33.24 C ATOM 0 H LEU A 31 2.935 11.121 -0.683 1.00 54.03 H new ATOM 0 HA LEU A 31 2.933 9.421 -2.860 1.00 33.34 H new ATOM 0 HB2 LEU A 31 3.109 8.936 0.127 1.00 61.11 H new ATOM 0 HB3 LEU A 31 3.310 7.641 -1.037 1.00 61.11 H new ATOM 0 HG LEU A 31 5.021 10.134 -1.091 1.00 5.24 H new ATOM 0 HD11 LEU A 31 6.726 8.838 0.125 1.00 33.04 H new ATOM 0 HD12 LEU A 31 5.263 9.089 1.107 1.00 33.04 H new ATOM 0 HD13 LEU A 31 5.560 7.511 0.338 1.00 33.04 H new ATOM 0 HD21 LEU A 31 6.567 8.671 -2.333 1.00 33.24 H new ATOM 0 HD22 LEU A 31 5.394 7.337 -2.212 1.00 33.24 H new ATOM 0 HD23 LEU A 31 4.987 8.799 -3.142 1.00 33.24 H new ATOM 489 N LYS A 32 0.279 9.062 -0.957 1.00 62.45 N ATOM 490 CA LYS A 32 -1.049 8.462 -0.893 1.00 21.40 C ATOM 491 C LYS A 32 -1.707 8.449 -2.269 1.00 43.30 C ATOM 492 O LYS A 32 -2.475 7.542 -2.591 1.00 4.41 O ATOM 493 CB LYS A 32 -1.929 9.228 0.098 1.00 52.33 C ATOM 494 CG LYS A 32 -2.415 8.380 1.260 1.00 45.02 C ATOM 495 CD LYS A 32 -3.141 9.219 2.298 1.00 74.43 C ATOM 496 CE LYS A 32 -2.359 9.294 3.600 1.00 14.32 C ATOM 497 NZ LYS A 32 -2.958 10.269 4.552 1.00 34.12 N ATOM 0 H LYS A 32 0.472 9.739 -0.219 1.00 62.45 H new ATOM 0 HA LYS A 32 -0.940 7.432 -0.553 1.00 21.40 H new ATOM 0 HB2 LYS A 32 -1.368 10.077 0.488 1.00 52.33 H new ATOM 0 HB3 LYS A 32 -2.792 9.632 -0.432 1.00 52.33 H new ATOM 0 HG2 LYS A 32 -3.082 7.601 0.889 1.00 45.02 H new ATOM 0 HG3 LYS A 32 -1.566 7.878 1.725 1.00 45.02 H new ATOM 0 HD2 LYS A 32 -3.299 10.225 1.909 1.00 74.43 H new ATOM 0 HD3 LYS A 32 -4.126 8.793 2.488 1.00 74.43 H new ATOM 0 HE2 LYS A 32 -2.328 8.307 4.062 1.00 14.32 H new ATOM 0 HE3 LYS A 32 -1.328 9.579 3.389 1.00 14.32 H new ATOM 0 HZ1 LYS A 32 -2.396 10.290 5.427 1.00 34.12 H new ATOM 0 HZ2 LYS A 32 -2.964 11.216 4.121 1.00 34.12 H new ATOM 0 HZ3 LYS A 32 -3.933 9.983 4.774 1.00 34.12 H new ATOM 511 N HIS A 33 -1.402 9.459 -3.077 1.00 73.01 N ATOM 512 CA HIS A 33 -1.962 9.562 -4.420 1.00 20.52 C ATOM 513 C HIS A 33 -1.248 8.616 -5.380 1.00 35.12 C ATOM 514 O HIS A 33 -1.931 8.061 -6.241 1.00 2.41 O ATOM 515 CB HIS A 33 -1.858 10.999 -4.930 1.00 74.14 C ATOM 516 CG HIS A 33 -2.567 11.996 -4.065 1.00 14.45 C ATOM 517 ND1 HIS A 33 -1.906 12.938 -3.305 1.00 2.21 N ATOM 518 CD2 HIS A 33 -3.887 12.193 -3.840 1.00 41.14 C ATOM 519 CE1 HIS A 33 -2.789 13.671 -2.652 1.00 31.33 C ATOM 520 NE2 HIS A 33 -4.000 13.239 -2.960 1.00 35.45 N ATOM 0 H HIS A 33 -0.770 10.219 -2.825 1.00 73.01 H new ATOM 0 HA HIS A 33 -3.013 9.277 -4.372 1.00 20.52 H new ATOM 0 HB2 HIS A 33 -0.806 11.275 -5.001 1.00 74.14 H new ATOM 0 HB3 HIS A 33 -2.269 11.048 -5.938 1.00 74.14 H new ATOM 0 HD2 HIS A 33 -4.701 11.631 -4.273 1.00 41.14 H new ATOM 0 HE1 HIS A 33 -2.561 14.485 -1.980 1.00 31.33 H new ATOM 0 HE2 HIS A 33 -4.875 13.621 -2.602 1.00 35.45 H new ATOM 528 N ILE A 34 0.062 8.424 -5.261 1.00 51.04 N ATOM 529 CA ILE A 34 0.788 7.530 -6.155 1.00 4.31 C ATOM 530 C ILE A 34 0.590 6.071 -5.752 1.00 62.42 C ATOM 531 O ILE A 34 0.153 5.248 -6.556 1.00 51.52 O ATOM 532 CB ILE A 34 2.294 7.847 -6.168 1.00 41.41 C ATOM 533 CG1 ILE A 34 2.520 9.345 -6.384 1.00 24.24 C ATOM 534 CG2 ILE A 34 2.996 7.039 -7.250 1.00 61.44 C ATOM 535 CD1 ILE A 34 3.980 9.742 -6.379 1.00 63.35 C ATOM 0 H ILE A 34 0.642 8.876 -4.554 1.00 51.04 H new ATOM 0 HA ILE A 34 0.384 7.687 -7.155 1.00 4.31 H new ATOM 0 HB ILE A 34 2.717 7.570 -5.202 1.00 41.41 H new ATOM 0 HG12 ILE A 34 2.075 9.638 -7.335 1.00 24.24 H new ATOM 0 HG13 ILE A 34 1.998 9.899 -5.604 1.00 24.24 H new ATOM 0 HG21 ILE A 34 4.060 7.274 -7.247 1.00 61.44 H new ATOM 0 HG22 ILE A 34 2.859 5.975 -7.056 1.00 61.44 H new ATOM 0 HG23 ILE A 34 2.572 7.288 -8.223 1.00 61.44 H new ATOM 0 HD11 ILE A 34 4.065 10.817 -6.537 1.00 63.35 H new ATOM 0 HD12 ILE A 34 4.425 9.480 -5.419 1.00 63.35 H new ATOM 0 HD13 ILE A 34 4.503 9.215 -7.177 1.00 63.35 H new ATOM 547 N VAL A 35 0.912 5.760 -4.500 1.00 71.44 N ATOM 548 CA VAL A 35 0.768 4.402 -3.989 1.00 31.54 C ATOM 549 C VAL A 35 -0.594 3.821 -4.352 1.00 13.31 C ATOM 550 O VAL A 35 -0.711 2.634 -4.658 1.00 72.44 O ATOM 551 CB VAL A 35 0.942 4.358 -2.459 1.00 63.13 C ATOM 552 CG1 VAL A 35 0.773 2.937 -1.944 1.00 51.43 C ATOM 553 CG2 VAL A 35 2.298 4.921 -2.060 1.00 51.45 C ATOM 0 H VAL A 35 1.274 6.430 -3.821 1.00 71.44 H new ATOM 0 HA VAL A 35 1.551 3.803 -4.454 1.00 31.54 H new ATOM 0 HB VAL A 35 0.169 4.978 -2.005 1.00 63.13 H new ATOM 0 HG11 VAL A 35 0.899 2.925 -0.861 1.00 51.43 H new ATOM 0 HG12 VAL A 35 -0.223 2.574 -2.197 1.00 51.43 H new ATOM 0 HG13 VAL A 35 1.522 2.292 -2.404 1.00 51.43 H new ATOM 0 HG21 VAL A 35 2.403 4.882 -0.976 1.00 51.45 H new ATOM 0 HG22 VAL A 35 3.088 4.330 -2.523 1.00 51.45 H new ATOM 0 HG23 VAL A 35 2.375 5.955 -2.395 1.00 51.45 H new ATOM 563 N TRP A 36 -1.619 4.664 -4.317 1.00 11.42 N ATOM 564 CA TRP A 36 -2.974 4.232 -4.642 1.00 42.12 C ATOM 565 C TRP A 36 -3.072 3.804 -6.102 1.00 45.15 C ATOM 566 O TRP A 36 -3.659 2.768 -6.416 1.00 53.12 O ATOM 567 CB TRP A 36 -3.971 5.358 -4.360 1.00 51.13 C ATOM 568 CG TRP A 36 -5.363 5.048 -4.822 1.00 40.13 C ATOM 569 CD1 TRP A 36 -6.246 4.184 -4.240 1.00 62.14 C ATOM 570 CD2 TRP A 36 -6.029 5.598 -5.964 1.00 72.02 C ATOM 571 NE1 TRP A 36 -7.422 4.164 -4.952 1.00 11.02 N ATOM 572 CE2 TRP A 36 -7.314 5.024 -6.013 1.00 5.23 C ATOM 573 CE3 TRP A 36 -5.665 6.521 -6.948 1.00 5.03 C ATOM 574 CZ2 TRP A 36 -8.234 5.343 -7.008 1.00 63.03 C ATOM 575 CZ3 TRP A 36 -6.580 6.836 -7.935 1.00 30.12 C ATOM 576 CH2 TRP A 36 -7.852 6.249 -7.960 1.00 10.14 C ATOM 0 H TRP A 36 -1.539 5.650 -4.067 1.00 11.42 H new ATOM 0 HA TRP A 36 -3.217 3.375 -4.014 1.00 42.12 H new ATOM 0 HB2 TRP A 36 -3.988 5.559 -3.289 1.00 51.13 H new ATOM 0 HB3 TRP A 36 -3.628 6.269 -4.850 1.00 51.13 H new ATOM 0 HD1 TRP A 36 -6.050 3.602 -3.352 1.00 62.14 H new ATOM 0 HE1 TRP A 36 -8.242 3.600 -4.727 1.00 11.02 H new ATOM 0 HE3 TRP A 36 -4.687 6.980 -6.938 1.00 5.03 H new ATOM 0 HZ2 TRP A 36 -9.215 4.891 -7.028 1.00 63.03 H new ATOM 0 HZ3 TRP A 36 -6.309 7.548 -8.701 1.00 30.12 H new ATOM 0 HH2 TRP A 36 -8.544 6.516 -8.745 1.00 10.14 H new ATOM 587 N ALA A 37 -2.495 4.607 -6.990 1.00 51.21 N ATOM 588 CA ALA A 37 -2.516 4.308 -8.417 1.00 32.15 C ATOM 589 C ALA A 37 -1.705 3.054 -8.728 1.00 23.14 C ATOM 590 O ALA A 37 -2.150 2.187 -9.480 1.00 54.13 O ATOM 591 CB ALA A 37 -1.987 5.492 -9.212 1.00 15.53 C ATOM 0 H ALA A 37 -2.007 5.469 -6.747 1.00 51.21 H new ATOM 0 HA ALA A 37 -3.550 4.121 -8.709 1.00 32.15 H new ATOM 0 HB1 ALA A 37 -2.008 5.255 -10.276 1.00 15.53 H new ATOM 0 HB2 ALA A 37 -2.611 6.365 -9.022 1.00 15.53 H new ATOM 0 HB3 ALA A 37 -0.962 5.705 -8.908 1.00 15.53 H new ATOM 597 N SER A 38 -0.515 2.965 -8.143 1.00 54.32 N ATOM 598 CA SER A 38 0.360 1.819 -8.362 1.00 1.40 C ATOM 599 C SER A 38 -0.338 0.520 -7.970 1.00 30.31 C ATOM 600 O SER A 38 -0.087 -0.533 -8.555 1.00 42.50 O ATOM 601 CB SER A 38 1.653 1.978 -7.560 1.00 72.22 C ATOM 602 OG SER A 38 2.042 0.749 -6.971 1.00 62.32 O ATOM 0 H SER A 38 -0.135 3.672 -7.514 1.00 54.32 H new ATOM 0 HA SER A 38 0.602 1.775 -9.424 1.00 1.40 H new ATOM 0 HB2 SER A 38 2.447 2.340 -8.213 1.00 72.22 H new ATOM 0 HB3 SER A 38 1.513 2.729 -6.783 1.00 72.22 H new ATOM 0 HG SER A 38 2.872 0.877 -6.465 1.00 62.32 H new ATOM 608 N ARG A 39 -1.216 0.604 -6.976 1.00 1.12 N ATOM 609 CA ARG A 39 -1.951 -0.564 -6.503 1.00 74.53 C ATOM 610 C ARG A 39 -3.119 -0.882 -7.431 1.00 73.34 C ATOM 611 O ARG A 39 -3.569 -2.024 -7.508 1.00 13.43 O ATOM 612 CB ARG A 39 -2.463 -0.329 -5.082 1.00 1.21 C ATOM 613 CG ARG A 39 -1.543 -0.881 -4.004 1.00 4.43 C ATOM 614 CD ARG A 39 -2.289 -1.110 -2.699 1.00 61.21 C ATOM 615 NE ARG A 39 -1.767 -2.259 -1.964 1.00 44.45 N ATOM 616 CZ ARG A 39 -2.396 -2.825 -0.940 1.00 64.42 C ATOM 617 NH1 ARG A 39 -3.564 -2.349 -0.531 1.00 63.14 N ATOM 618 NH2 ARG A 39 -1.856 -3.868 -0.322 1.00 24.40 N ATOM 0 H ARG A 39 -1.436 1.469 -6.482 1.00 1.12 H new ATOM 0 HA ARG A 39 -1.270 -1.415 -6.500 1.00 74.53 H new ATOM 0 HB2 ARG A 39 -2.593 0.742 -4.924 1.00 1.21 H new ATOM 0 HB3 ARG A 39 -3.446 -0.788 -4.979 1.00 1.21 H new ATOM 0 HG2 ARG A 39 -1.105 -1.820 -4.344 1.00 4.43 H new ATOM 0 HG3 ARG A 39 -0.719 -0.187 -3.837 1.00 4.43 H new ATOM 0 HD2 ARG A 39 -2.214 -0.218 -2.077 1.00 61.21 H new ATOM 0 HD3 ARG A 39 -3.347 -1.264 -2.909 1.00 61.21 H new ATOM 0 HE ARG A 39 -0.870 -2.648 -2.253 1.00 44.45 H new ATOM 0 HH11 ARG A 39 -3.981 -1.547 -1.003 1.00 63.14 H new ATOM 0 HH12 ARG A 39 -4.045 -2.785 0.255 1.00 63.14 H new ATOM 0 HH21 ARG A 39 -0.957 -4.236 -0.633 1.00 24.40 H new ATOM 0 HH22 ARG A 39 -2.340 -4.302 0.464 1.00 24.40 H new ATOM 632 N GLU A 40 -3.606 0.137 -8.133 1.00 42.11 N ATOM 633 CA GLU A 40 -4.723 -0.035 -9.055 1.00 10.55 C ATOM 634 C GLU A 40 -4.263 -0.700 -10.348 1.00 40.15 C ATOM 635 O GLU A 40 -4.853 -1.684 -10.799 1.00 33.33 O ATOM 636 CB GLU A 40 -5.370 1.315 -9.364 1.00 25.21 C ATOM 637 CG GLU A 40 -6.889 1.266 -9.415 1.00 13.45 C ATOM 638 CD GLU A 40 -7.513 1.085 -8.044 1.00 74.41 C ATOM 639 OE1 GLU A 40 -7.392 -0.022 -7.479 1.00 25.04 O ATOM 640 OE2 GLU A 40 -8.121 2.051 -7.538 1.00 21.11 O ATOM 0 H GLU A 40 -3.245 1.089 -8.081 1.00 42.11 H new ATOM 0 HA GLU A 40 -5.460 -0.681 -8.577 1.00 10.55 H new ATOM 0 HB2 GLU A 40 -5.064 2.037 -8.607 1.00 25.21 H new ATOM 0 HB3 GLU A 40 -4.994 1.678 -10.321 1.00 25.21 H new ATOM 0 HG2 GLU A 40 -7.264 2.187 -9.862 1.00 13.45 H new ATOM 0 HG3 GLU A 40 -7.201 0.447 -10.063 1.00 13.45 H new ATOM 647 N LEU A 41 -3.208 -0.156 -10.943 1.00 51.54 N ATOM 648 CA LEU A 41 -2.668 -0.695 -12.187 1.00 64.03 C ATOM 649 C LEU A 41 -2.409 -2.193 -12.065 1.00 4.41 C ATOM 650 O LEU A 41 -2.649 -2.952 -13.004 1.00 35.22 O ATOM 651 CB LEU A 41 -1.373 0.029 -12.560 1.00 23.14 C ATOM 652 CG LEU A 41 -1.535 1.353 -13.307 1.00 72.20 C ATOM 653 CD1 LEU A 41 -0.183 2.015 -13.519 1.00 31.22 C ATOM 654 CD2 LEU A 41 -2.238 1.132 -14.639 1.00 15.13 C ATOM 0 H LEU A 41 -2.709 0.658 -10.585 1.00 51.54 H new ATOM 0 HA LEU A 41 -3.406 -0.536 -12.973 1.00 64.03 H new ATOM 0 HB2 LEU A 41 -0.809 0.217 -11.646 1.00 23.14 H new ATOM 0 HB3 LEU A 41 -0.770 -0.640 -13.174 1.00 23.14 H new ATOM 0 HG LEU A 41 -2.150 2.017 -12.700 1.00 72.20 H new ATOM 0 HD11 LEU A 41 -0.318 2.956 -14.052 1.00 31.22 H new ATOM 0 HD12 LEU A 41 0.283 2.209 -12.553 1.00 31.22 H new ATOM 0 HD13 LEU A 41 0.457 1.355 -14.104 1.00 31.22 H new ATOM 0 HD21 LEU A 41 -2.345 2.085 -15.157 1.00 15.13 H new ATOM 0 HD22 LEU A 41 -1.649 0.450 -15.252 1.00 15.13 H new ATOM 0 HD23 LEU A 41 -3.224 0.702 -14.463 1.00 15.13 H new ATOM 666 N GLU A 42 -1.922 -2.612 -10.901 1.00 31.34 N ATOM 667 CA GLU A 42 -1.633 -4.019 -10.657 1.00 14.03 C ATOM 668 C GLU A 42 -2.871 -4.879 -10.896 1.00 35.43 C ATOM 669 O GLU A 42 -2.766 -6.042 -11.282 1.00 41.53 O ATOM 670 CB GLU A 42 -1.130 -4.218 -9.225 1.00 54.42 C ATOM 671 CG GLU A 42 -1.011 -5.678 -8.818 1.00 65.21 C ATOM 672 CD GLU A 42 -2.205 -6.158 -8.017 1.00 1.01 C ATOM 673 OE1 GLU A 42 -3.305 -5.593 -8.192 1.00 24.51 O ATOM 674 OE2 GLU A 42 -2.040 -7.101 -7.215 1.00 30.31 O ATOM 0 H GLU A 42 -1.720 -1.997 -10.113 1.00 31.34 H new ATOM 0 HA GLU A 42 -0.856 -4.330 -11.355 1.00 14.03 H new ATOM 0 HB2 GLU A 42 -0.156 -3.740 -9.122 1.00 54.42 H new ATOM 0 HB3 GLU A 42 -1.808 -3.712 -8.537 1.00 54.42 H new ATOM 0 HG2 GLU A 42 -0.906 -6.293 -9.712 1.00 65.21 H new ATOM 0 HG3 GLU A 42 -0.104 -5.815 -8.229 1.00 65.21 H new ATOM 681 N ARG A 43 -4.042 -4.296 -10.662 1.00 51.11 N ATOM 682 CA ARG A 43 -5.300 -5.008 -10.851 1.00 4.04 C ATOM 683 C ARG A 43 -5.741 -4.957 -12.310 1.00 32.01 C ATOM 684 O ARG A 43 -6.612 -5.717 -12.734 1.00 61.30 O ATOM 685 CB ARG A 43 -6.388 -4.409 -9.957 1.00 1.34 C ATOM 686 CG ARG A 43 -7.284 -5.450 -9.306 1.00 3.33 C ATOM 687 CD ARG A 43 -7.640 -5.065 -7.878 1.00 54.13 C ATOM 688 NE ARG A 43 -8.946 -4.417 -7.796 1.00 24.30 N ATOM 689 CZ ARG A 43 -9.620 -4.264 -6.662 1.00 11.24 C ATOM 690 NH1 ARG A 43 -9.114 -4.710 -5.520 1.00 43.23 N ATOM 691 NH2 ARG A 43 -10.803 -3.663 -6.668 1.00 44.12 N ATOM 0 H ARG A 43 -4.146 -3.333 -10.341 1.00 51.11 H new ATOM 0 HA ARG A 43 -5.143 -6.050 -10.574 1.00 4.04 H new ATOM 0 HB2 ARG A 43 -5.917 -3.810 -9.178 1.00 1.34 H new ATOM 0 HB3 ARG A 43 -7.003 -3.733 -10.551 1.00 1.34 H new ATOM 0 HG2 ARG A 43 -8.196 -5.564 -9.891 1.00 3.33 H new ATOM 0 HG3 ARG A 43 -6.781 -6.417 -9.309 1.00 3.33 H new ATOM 0 HD2 ARG A 43 -7.637 -5.956 -7.251 1.00 54.13 H new ATOM 0 HD3 ARG A 43 -6.877 -4.395 -7.482 1.00 54.13 H new ATOM 0 HE ARG A 43 -9.363 -4.063 -8.657 1.00 24.30 H new ATOM 0 HH11 ARG A 43 -8.205 -5.172 -5.511 1.00 43.23 H new ATOM 0 HH12 ARG A 43 -9.634 -4.591 -4.651 1.00 43.23 H new ATOM 0 HH21 ARG A 43 -11.195 -3.318 -7.544 1.00 44.12 H new ATOM 0 HH22 ARG A 43 -11.320 -3.546 -5.797 1.00 44.12 H new ATOM 705 N PHE A 44 -5.134 -4.055 -13.075 1.00 54.44 N ATOM 706 CA PHE A 44 -5.464 -3.904 -14.487 1.00 12.22 C ATOM 707 C PHE A 44 -4.422 -4.589 -15.366 1.00 31.41 C ATOM 708 O PHE A 44 -4.259 -4.246 -16.537 1.00 71.12 O ATOM 709 CB PHE A 44 -5.561 -2.422 -14.853 1.00 64.22 C ATOM 710 CG PHE A 44 -6.662 -1.697 -14.132 1.00 50.20 C ATOM 711 CD1 PHE A 44 -7.973 -2.133 -14.224 1.00 3.32 C ATOM 712 CD2 PHE A 44 -6.383 -0.579 -13.362 1.00 1.32 C ATOM 713 CE1 PHE A 44 -8.987 -1.468 -13.560 1.00 45.02 C ATOM 714 CE2 PHE A 44 -7.394 0.090 -12.696 1.00 12.53 C ATOM 715 CZ PHE A 44 -8.698 -0.356 -12.796 1.00 33.51 C ATOM 0 H PHE A 44 -4.411 -3.418 -12.740 1.00 54.44 H new ATOM 0 HA PHE A 44 -6.429 -4.379 -14.662 1.00 12.22 H new ATOM 0 HB2 PHE A 44 -4.611 -1.938 -14.629 1.00 64.22 H new ATOM 0 HB3 PHE A 44 -5.720 -2.331 -15.928 1.00 64.22 H new ATOM 0 HD1 PHE A 44 -8.206 -3.002 -14.821 1.00 3.32 H new ATOM 0 HD2 PHE A 44 -5.365 -0.226 -13.281 1.00 1.32 H new ATOM 0 HE1 PHE A 44 -10.005 -1.819 -13.639 1.00 45.02 H new ATOM 0 HE2 PHE A 44 -7.164 0.960 -12.099 1.00 12.53 H new ATOM 0 HZ PHE A 44 -9.489 0.165 -12.277 1.00 33.51 H new ATOM 725 N ALA A 45 -3.718 -5.559 -14.792 1.00 22.53 N ATOM 726 CA ALA A 45 -2.692 -6.294 -15.522 1.00 22.40 C ATOM 727 C ALA A 45 -1.527 -5.384 -15.896 1.00 54.10 C ATOM 728 O ALA A 45 -0.810 -5.641 -16.863 1.00 1.44 O ATOM 729 CB ALA A 45 -3.287 -6.931 -16.769 1.00 35.03 C ATOM 0 H ALA A 45 -3.839 -5.854 -13.823 1.00 22.53 H new ATOM 0 HA ALA A 45 -2.311 -7.081 -14.871 1.00 22.40 H new ATOM 0 HB1 ALA A 45 -2.510 -7.477 -17.305 1.00 35.03 H new ATOM 0 HB2 ALA A 45 -4.082 -7.619 -16.482 1.00 35.03 H new ATOM 0 HB3 ALA A 45 -3.696 -6.154 -17.415 1.00 35.03 H new ATOM 735 N VAL A 46 -1.342 -4.318 -15.123 1.00 5.20 N ATOM 736 CA VAL A 46 -0.262 -3.370 -15.372 1.00 45.35 C ATOM 737 C VAL A 46 0.604 -3.187 -14.132 1.00 74.01 C ATOM 738 O VAL A 46 0.099 -2.918 -13.044 1.00 31.34 O ATOM 739 CB VAL A 46 -0.811 -1.999 -15.810 1.00 55.23 C ATOM 740 CG1 VAL A 46 0.328 -1.011 -16.018 1.00 45.43 C ATOM 741 CG2 VAL A 46 -1.644 -2.138 -17.075 1.00 51.43 C ATOM 0 H VAL A 46 -1.926 -4.089 -14.319 1.00 5.20 H new ATOM 0 HA VAL A 46 0.345 -3.784 -16.177 1.00 45.35 H new ATOM 0 HB VAL A 46 -1.455 -1.615 -15.019 1.00 55.23 H new ATOM 0 HG11 VAL A 46 -0.078 -0.048 -16.327 1.00 45.43 H new ATOM 0 HG12 VAL A 46 0.880 -0.890 -15.086 1.00 45.43 H new ATOM 0 HG13 VAL A 46 0.999 -1.387 -16.790 1.00 45.43 H new ATOM 0 HG21 VAL A 46 -2.024 -1.160 -17.370 1.00 51.43 H new ATOM 0 HG22 VAL A 46 -1.025 -2.543 -17.875 1.00 51.43 H new ATOM 0 HG23 VAL A 46 -2.481 -2.811 -16.887 1.00 51.43 H new ATOM 751 N ASN A 47 1.915 -3.333 -14.306 1.00 65.31 N ATOM 752 CA ASN A 47 2.854 -3.183 -13.200 1.00 24.43 C ATOM 753 C ASN A 47 3.021 -1.714 -12.825 1.00 32.50 C ATOM 754 O ASN A 47 3.078 -0.831 -13.681 1.00 53.12 O ATOM 755 CB ASN A 47 4.211 -3.784 -13.572 1.00 1.15 C ATOM 756 CG ASN A 47 4.086 -5.180 -14.150 1.00 43.22 C ATOM 757 OD1 ASN A 47 3.554 -5.365 -15.246 1.00 34.03 O ATOM 758 ND2 ASN A 47 4.576 -6.171 -13.415 1.00 44.34 N ATOM 0 H ASN A 47 2.350 -3.555 -15.202 1.00 65.31 H new ATOM 0 HA ASN A 47 2.452 -3.716 -12.338 1.00 24.43 H new ATOM 0 HB2 ASN A 47 4.706 -3.137 -14.296 1.00 1.15 H new ATOM 0 HB3 ASN A 47 4.846 -3.816 -12.687 1.00 1.15 H new ATOM 0 HD21 ASN A 47 4.520 -7.132 -13.752 1.00 44.34 H new ATOM 0 HD22 ASN A 47 5.008 -5.971 -12.513 1.00 44.34 H new ATOM 765 N PRO A 48 3.102 -1.444 -11.513 1.00 63.14 N ATOM 766 CA PRO A 48 3.266 -0.083 -10.993 1.00 65.22 C ATOM 767 C PRO A 48 4.645 0.492 -11.297 1.00 2.44 C ATOM 768 O PRO A 48 4.868 1.695 -11.175 1.00 61.00 O ATOM 769 CB PRO A 48 3.077 -0.255 -9.484 1.00 73.33 C ATOM 770 CG PRO A 48 3.450 -1.671 -9.215 1.00 52.33 C ATOM 771 CD PRO A 48 3.041 -2.447 -10.436 1.00 70.01 C ATOM 0 HA PRO A 48 2.562 0.615 -11.447 1.00 65.22 H new ATOM 0 HB2 PRO A 48 3.710 0.434 -8.925 1.00 73.33 H new ATOM 0 HB3 PRO A 48 2.047 -0.054 -9.188 1.00 73.33 H new ATOM 0 HG2 PRO A 48 4.521 -1.765 -9.034 1.00 52.33 H new ATOM 0 HG3 PRO A 48 2.942 -2.046 -8.326 1.00 52.33 H new ATOM 0 HD2 PRO A 48 3.715 -3.282 -10.626 1.00 70.01 H new ATOM 0 HD3 PRO A 48 2.039 -2.863 -10.331 1.00 70.01 H new ATOM 779 N GLY A 49 5.570 -0.379 -11.694 1.00 23.24 N ATOM 780 CA GLY A 49 6.916 0.061 -12.008 1.00 62.31 C ATOM 781 C GLY A 49 6.963 0.954 -13.232 1.00 64.33 C ATOM 782 O GLY A 49 7.939 1.673 -13.449 1.00 13.30 O ATOM 0 H GLY A 49 5.410 -1.380 -11.803 1.00 23.24 H new ATOM 0 HA2 GLY A 49 7.328 0.598 -11.154 1.00 62.31 H new ATOM 0 HA3 GLY A 49 7.551 -0.810 -12.173 1.00 62.31 H new ATOM 786 N LEU A 50 5.906 0.909 -14.037 1.00 11.33 N ATOM 787 CA LEU A 50 5.831 1.718 -15.247 1.00 75.52 C ATOM 788 C LEU A 50 5.787 3.204 -14.907 1.00 24.32 C ATOM 789 O LEU A 50 6.312 4.038 -15.647 1.00 11.42 O ATOM 790 CB LEU A 50 4.597 1.333 -16.065 1.00 63.52 C ATOM 791 CG LEU A 50 4.558 -0.103 -16.588 1.00 0.34 C ATOM 792 CD1 LEU A 50 3.207 -0.407 -17.215 1.00 71.24 C ATOM 793 CD2 LEU A 50 5.679 -0.337 -17.590 1.00 11.25 C ATOM 0 H LEU A 50 5.089 0.320 -13.872 1.00 11.33 H new ATOM 0 HA LEU A 50 6.726 1.527 -15.839 1.00 75.52 H new ATOM 0 HB2 LEU A 50 3.712 1.498 -15.450 1.00 63.52 H new ATOM 0 HB3 LEU A 50 4.525 2.010 -16.916 1.00 63.52 H new ATOM 0 HG LEU A 50 4.704 -0.779 -15.746 1.00 0.34 H new ATOM 0 HD11 LEU A 50 3.199 -1.434 -17.581 1.00 71.24 H new ATOM 0 HD12 LEU A 50 2.423 -0.282 -16.468 1.00 71.24 H new ATOM 0 HD13 LEU A 50 3.029 0.276 -18.046 1.00 71.24 H new ATOM 0 HD21 LEU A 50 5.635 -1.364 -17.951 1.00 11.25 H new ATOM 0 HD22 LEU A 50 5.565 0.348 -18.430 1.00 11.25 H new ATOM 0 HD23 LEU A 50 6.641 -0.163 -17.107 1.00 11.25 H new ATOM 805 N LEU A 51 5.160 3.530 -13.782 1.00 44.44 N ATOM 806 CA LEU A 51 5.049 4.916 -13.342 1.00 10.31 C ATOM 807 C LEU A 51 6.411 5.469 -12.936 1.00 33.40 C ATOM 808 O LEU A 51 6.574 6.676 -12.759 1.00 5.02 O ATOM 809 CB LEU A 51 4.073 5.023 -12.169 1.00 3.24 C ATOM 810 CG LEU A 51 2.693 4.400 -12.384 1.00 54.43 C ATOM 811 CD1 LEU A 51 1.933 4.315 -11.070 1.00 55.31 C ATOM 812 CD2 LEU A 51 1.901 5.201 -13.409 1.00 54.22 C ATOM 0 H LEU A 51 4.721 2.853 -13.158 1.00 44.44 H new ATOM 0 HA LEU A 51 4.671 5.507 -14.176 1.00 10.31 H new ATOM 0 HB2 LEU A 51 4.530 4.553 -11.298 1.00 3.24 H new ATOM 0 HB3 LEU A 51 3.940 6.078 -11.928 1.00 3.24 H new ATOM 0 HG LEU A 51 2.829 3.388 -12.767 1.00 54.43 H new ATOM 0 HD11 LEU A 51 0.954 3.869 -11.244 1.00 55.31 H new ATOM 0 HD12 LEU A 51 2.492 3.699 -10.366 1.00 55.31 H new ATOM 0 HD13 LEU A 51 1.808 5.316 -10.657 1.00 55.31 H new ATOM 0 HD21 LEU A 51 0.922 4.744 -13.550 1.00 54.22 H new ATOM 0 HD22 LEU A 51 1.776 6.224 -13.054 1.00 54.22 H new ATOM 0 HD23 LEU A 51 2.438 5.209 -14.358 1.00 54.22 H new ATOM 824 N GLU A 52 7.388 4.578 -12.794 1.00 42.54 N ATOM 825 CA GLU A 52 8.737 4.979 -12.411 1.00 43.25 C ATOM 826 C GLU A 52 9.449 5.669 -13.571 1.00 71.13 C ATOM 827 O GLU A 52 10.405 6.420 -13.371 1.00 4.43 O ATOM 828 CB GLU A 52 9.543 3.761 -11.956 1.00 54.30 C ATOM 829 CG GLU A 52 10.936 4.107 -11.456 1.00 1.53 C ATOM 830 CD GLU A 52 11.509 3.040 -10.542 1.00 35.21 C ATOM 831 OE1 GLU A 52 10.752 2.504 -9.707 1.00 2.10 O ATOM 832 OE2 GLU A 52 12.716 2.742 -10.664 1.00 62.40 O ATOM 0 H GLU A 52 7.271 3.575 -12.938 1.00 42.54 H new ATOM 0 HA GLU A 52 8.659 5.685 -11.584 1.00 43.25 H new ATOM 0 HB2 GLU A 52 8.997 3.250 -11.163 1.00 54.30 H new ATOM 0 HB3 GLU A 52 9.628 3.060 -12.787 1.00 54.30 H new ATOM 0 HG2 GLU A 52 11.600 4.245 -12.309 1.00 1.53 H new ATOM 0 HG3 GLU A 52 10.901 5.057 -10.922 1.00 1.53 H new ATOM 839 N THR A 53 8.977 5.410 -14.787 1.00 11.41 N ATOM 840 CA THR A 53 9.567 6.004 -15.979 1.00 35.03 C ATOM 841 C THR A 53 8.523 6.755 -16.795 1.00 65.22 C ATOM 842 O THR A 53 7.411 6.267 -16.999 1.00 34.12 O ATOM 843 CB THR A 53 10.228 4.935 -16.871 1.00 32.32 C ATOM 844 OG1 THR A 53 9.265 4.396 -17.783 1.00 13.50 O ATOM 845 CG2 THR A 53 10.818 3.816 -16.027 1.00 11.32 C ATOM 0 H THR A 53 8.187 4.792 -14.971 1.00 11.41 H new ATOM 0 HA THR A 53 10.329 6.705 -15.638 1.00 35.03 H new ATOM 0 HB THR A 53 11.034 5.408 -17.432 1.00 32.32 H new ATOM 0 HG1 THR A 53 9.693 3.719 -18.348 1.00 13.50 H new ATOM 0 HG21 THR A 53 11.279 3.073 -16.678 1.00 11.32 H new ATOM 0 HG22 THR A 53 11.571 4.226 -15.354 1.00 11.32 H new ATOM 0 HG23 THR A 53 10.027 3.345 -15.443 1.00 11.32 H new ATOM 853 N SER A 54 8.886 7.946 -17.262 1.00 15.14 N ATOM 854 CA SER A 54 7.978 8.766 -18.054 1.00 62.02 C ATOM 855 C SER A 54 7.394 7.966 -19.214 1.00 54.41 C ATOM 856 O SER A 54 6.246 8.170 -19.607 1.00 53.31 O ATOM 857 CB SER A 54 8.706 10.002 -18.587 1.00 41.33 C ATOM 858 OG SER A 54 9.109 9.814 -19.932 1.00 74.13 O ATOM 0 H SER A 54 9.803 8.364 -17.105 1.00 15.14 H new ATOM 0 HA SER A 54 7.160 9.085 -17.408 1.00 62.02 H new ATOM 0 HB2 SER A 54 8.052 10.871 -18.518 1.00 41.33 H new ATOM 0 HB3 SER A 54 9.579 10.209 -17.968 1.00 41.33 H new ATOM 0 HG SER A 54 9.207 10.686 -20.369 1.00 74.13 H new ATOM 864 N GLU A 55 8.195 7.053 -19.757 1.00 24.13 N ATOM 865 CA GLU A 55 7.758 6.222 -20.873 1.00 25.32 C ATOM 866 C GLU A 55 6.579 5.343 -20.467 1.00 42.33 C ATOM 867 O GLU A 55 5.613 5.196 -21.215 1.00 23.41 O ATOM 868 CB GLU A 55 8.912 5.350 -21.370 1.00 40.11 C ATOM 869 CG GLU A 55 9.996 6.129 -22.096 1.00 22.04 C ATOM 870 CD GLU A 55 11.325 6.098 -21.366 1.00 24.22 C ATOM 871 OE1 GLU A 55 11.323 6.246 -20.126 1.00 54.21 O ATOM 872 OE2 GLU A 55 12.366 5.926 -22.034 1.00 0.21 O ATOM 0 H GLU A 55 9.148 6.871 -19.442 1.00 24.13 H new ATOM 0 HA GLU A 55 7.437 6.881 -21.680 1.00 25.32 H new ATOM 0 HB2 GLU A 55 9.356 4.832 -20.520 1.00 40.11 H new ATOM 0 HB3 GLU A 55 8.516 4.585 -22.039 1.00 40.11 H new ATOM 0 HG2 GLU A 55 10.126 5.717 -23.097 1.00 22.04 H new ATOM 0 HG3 GLU A 55 9.676 7.164 -22.216 1.00 22.04 H new ATOM 879 N GLY A 56 6.666 4.757 -19.277 1.00 73.10 N ATOM 880 CA GLY A 56 5.602 3.899 -18.791 1.00 44.25 C ATOM 881 C GLY A 56 4.262 4.606 -18.747 1.00 3.31 C ATOM 882 O GLY A 56 3.274 4.114 -19.294 1.00 53.14 O ATOM 0 H GLY A 56 7.456 4.862 -18.640 1.00 73.10 H new ATOM 0 HA2 GLY A 56 5.525 3.021 -19.433 1.00 44.25 H new ATOM 0 HA3 GLY A 56 5.854 3.543 -17.792 1.00 44.25 H new ATOM 886 N CYS A 57 4.226 5.761 -18.093 1.00 52.12 N ATOM 887 CA CYS A 57 2.996 6.536 -17.977 1.00 24.25 C ATOM 888 C CYS A 57 2.421 6.853 -19.352 1.00 62.14 C ATOM 889 O CYS A 57 1.250 6.585 -19.625 1.00 10.14 O ATOM 890 CB CYS A 57 3.256 7.833 -17.208 1.00 42.41 C ATOM 891 SG CYS A 57 2.936 7.714 -15.432 1.00 73.50 S ATOM 0 H CYS A 57 5.034 6.182 -17.635 1.00 52.12 H new ATOM 0 HA CYS A 57 2.269 5.937 -17.429 1.00 24.25 H new ATOM 0 HB2 CYS A 57 4.293 8.132 -17.360 1.00 42.41 H new ATOM 0 HB3 CYS A 57 2.632 8.623 -17.627 1.00 42.41 H new ATOM 0 HG CYS A 57 3.186 8.858 -14.868 1.00 73.50 H new ATOM 897 N ARG A 58 3.252 7.427 -20.217 1.00 42.22 N ATOM 898 CA ARG A 58 2.825 7.783 -21.565 1.00 41.35 C ATOM 899 C ARG A 58 1.993 6.664 -22.186 1.00 74.34 C ATOM 900 O ARG A 58 1.055 6.920 -22.939 1.00 60.42 O ATOM 901 CB ARG A 58 4.040 8.080 -22.446 1.00 41.13 C ATOM 902 CG ARG A 58 3.883 9.328 -23.300 1.00 51.44 C ATOM 903 CD ARG A 58 4.294 9.071 -24.741 1.00 10.01 C ATOM 904 NE ARG A 58 4.445 10.312 -25.497 1.00 22.34 N ATOM 905 CZ ARG A 58 5.022 10.381 -26.691 1.00 10.40 C ATOM 906 NH1 ARG A 58 5.501 9.285 -27.263 1.00 0.33 N ATOM 907 NH2 ARG A 58 5.121 11.547 -27.315 1.00 75.11 N ATOM 0 H ARG A 58 4.224 7.655 -20.008 1.00 42.22 H new ATOM 0 HA ARG A 58 2.206 8.678 -21.498 1.00 41.35 H new ATOM 0 HB2 ARG A 58 4.919 8.192 -21.812 1.00 41.13 H new ATOM 0 HB3 ARG A 58 4.224 7.225 -23.097 1.00 41.13 H new ATOM 0 HG2 ARG A 58 2.846 9.663 -23.270 1.00 51.44 H new ATOM 0 HG3 ARG A 58 4.490 10.133 -22.885 1.00 51.44 H new ATOM 0 HD2 ARG A 58 5.234 8.520 -24.757 1.00 10.01 H new ATOM 0 HD3 ARG A 58 3.547 8.441 -25.224 1.00 10.01 H new ATOM 0 HE ARG A 58 4.087 11.174 -25.085 1.00 22.34 H new ATOM 0 HH11 ARG A 58 5.427 8.387 -26.786 1.00 0.33 H new ATOM 0 HH12 ARG A 58 5.944 9.340 -28.180 1.00 0.33 H new ATOM 0 HH21 ARG A 58 4.754 12.392 -26.878 1.00 75.11 H new ATOM 0 HH22 ARG A 58 5.564 11.599 -28.232 1.00 75.11 H new ATOM 921 N GLN A 59 2.347 5.424 -21.865 1.00 40.35 N ATOM 922 CA GLN A 59 1.634 4.266 -22.394 1.00 31.35 C ATOM 923 C GLN A 59 0.429 3.926 -21.523 1.00 63.23 C ATOM 924 O GLN A 59 -0.645 3.604 -22.033 1.00 61.44 O ATOM 925 CB GLN A 59 2.572 3.060 -22.481 1.00 25.23 C ATOM 926 CG GLN A 59 2.530 2.354 -23.827 1.00 5.14 C ATOM 927 CD GLN A 59 3.910 2.005 -24.346 1.00 11.24 C ATOM 928 OE1 GLN A 59 4.749 1.484 -23.611 1.00 32.21 O ATOM 929 NE2 GLN A 59 4.153 2.290 -25.620 1.00 10.24 N ATOM 0 H GLN A 59 3.122 5.195 -21.242 1.00 40.35 H new ATOM 0 HA GLN A 59 1.279 4.514 -23.394 1.00 31.35 H new ATOM 0 HB2 GLN A 59 3.592 3.389 -22.284 1.00 25.23 H new ATOM 0 HB3 GLN A 59 2.309 2.348 -21.698 1.00 25.23 H new ATOM 0 HG2 GLN A 59 1.939 1.443 -23.737 1.00 5.14 H new ATOM 0 HG3 GLN A 59 2.024 2.992 -24.552 1.00 5.14 H new ATOM 0 HE21 GLN A 59 3.428 2.722 -26.193 1.00 10.24 H new ATOM 0 HE22 GLN A 59 5.064 2.077 -26.025 1.00 10.24 H new ATOM 938 N ILE A 60 0.614 3.999 -20.209 1.00 64.34 N ATOM 939 CA ILE A 60 -0.459 3.699 -19.269 1.00 60.34 C ATOM 940 C ILE A 60 -1.659 4.612 -19.497 1.00 21.32 C ATOM 941 O ILE A 60 -2.809 4.193 -19.353 1.00 34.24 O ATOM 942 CB ILE A 60 0.014 3.845 -17.811 1.00 0.30 C ATOM 943 CG1 ILE A 60 1.113 2.825 -17.505 1.00 74.35 C ATOM 944 CG2 ILE A 60 -1.157 3.671 -16.855 1.00 61.01 C ATOM 945 CD1 ILE A 60 2.021 3.240 -16.369 1.00 14.12 C ATOM 0 H ILE A 60 1.497 4.263 -19.771 1.00 64.34 H new ATOM 0 HA ILE A 60 -0.754 2.664 -19.444 1.00 60.34 H new ATOM 0 HB ILE A 60 0.424 4.846 -17.675 1.00 0.30 H new ATOM 0 HG12 ILE A 60 0.652 1.868 -17.260 1.00 74.35 H new ATOM 0 HG13 ILE A 60 1.713 2.669 -18.401 1.00 74.35 H new ATOM 0 HG21 ILE A 60 -0.807 3.777 -15.828 1.00 61.01 H new ATOM 0 HG22 ILE A 60 -1.911 4.430 -17.062 1.00 61.01 H new ATOM 0 HG23 ILE A 60 -1.593 2.681 -16.990 1.00 61.01 H new ATOM 0 HD11 ILE A 60 2.776 2.471 -16.207 1.00 14.12 H new ATOM 0 HD12 ILE A 60 2.510 4.181 -16.619 1.00 14.12 H new ATOM 0 HD13 ILE A 60 1.432 3.368 -15.461 1.00 14.12 H new ATOM 957 N LEU A 61 -1.386 5.863 -19.854 1.00 31.15 N ATOM 958 CA LEU A 61 -2.443 6.837 -20.102 1.00 53.41 C ATOM 959 C LEU A 61 -3.123 6.570 -21.441 1.00 64.13 C ATOM 960 O LEU A 61 -4.271 6.961 -21.655 1.00 50.31 O ATOM 961 CB LEU A 61 -1.873 8.255 -20.081 1.00 55.01 C ATOM 962 CG LEU A 61 -1.446 8.786 -18.711 1.00 74.44 C ATOM 963 CD1 LEU A 61 -0.417 9.895 -18.866 1.00 65.53 C ATOM 964 CD2 LEU A 61 -2.654 9.281 -17.930 1.00 41.05 C ATOM 0 H LEU A 61 -0.441 6.226 -19.978 1.00 31.15 H new ATOM 0 HA LEU A 61 -3.186 6.740 -19.311 1.00 53.41 H new ATOM 0 HB2 LEU A 61 -1.010 8.288 -20.747 1.00 55.01 H new ATOM 0 HB3 LEU A 61 -2.621 8.932 -20.494 1.00 55.01 H new ATOM 0 HG LEU A 61 -0.988 7.969 -18.153 1.00 74.44 H new ATOM 0 HD11 LEU A 61 -0.125 10.261 -17.882 1.00 65.53 H new ATOM 0 HD12 LEU A 61 0.460 9.508 -19.384 1.00 65.53 H new ATOM 0 HD13 LEU A 61 -0.848 10.713 -19.444 1.00 65.53 H new ATOM 0 HD21 LEU A 61 -2.331 9.655 -16.958 1.00 41.05 H new ATOM 0 HD22 LEU A 61 -3.141 10.083 -18.484 1.00 41.05 H new ATOM 0 HD23 LEU A 61 -3.356 8.460 -17.787 1.00 41.05 H new ATOM 976 N GLY A 62 -2.408 5.901 -22.341 1.00 4.02 N ATOM 977 CA GLY A 62 -2.961 5.592 -23.646 1.00 71.13 C ATOM 978 C GLY A 62 -3.987 4.478 -23.593 1.00 3.50 C ATOM 979 O GLY A 62 -4.745 4.278 -24.542 1.00 43.13 O ATOM 0 H GLY A 62 -1.456 5.568 -22.189 1.00 4.02 H new ATOM 0 HA2 GLY A 62 -3.423 6.487 -24.062 1.00 71.13 H new ATOM 0 HA3 GLY A 62 -2.154 5.306 -24.321 1.00 71.13 H new ATOM 983 N GLN A 63 -4.010 3.748 -22.482 1.00 73.51 N ATOM 984 CA GLN A 63 -4.949 2.647 -22.311 1.00 4.41 C ATOM 985 C GLN A 63 -6.249 3.133 -21.676 1.00 52.13 C ATOM 986 O GLN A 63 -7.340 2.809 -22.146 1.00 21.45 O ATOM 987 CB GLN A 63 -4.327 1.547 -21.449 1.00 72.11 C ATOM 988 CG GLN A 63 -5.174 0.287 -21.365 1.00 12.03 C ATOM 989 CD GLN A 63 -4.678 -0.812 -22.283 1.00 12.40 C ATOM 990 OE1 GLN A 63 -3.639 -1.424 -22.034 1.00 24.41 O ATOM 991 NE2 GLN A 63 -5.421 -1.069 -23.354 1.00 14.13 N ATOM 0 H GLN A 63 -3.389 3.900 -21.687 1.00 73.51 H new ATOM 0 HA GLN A 63 -5.177 2.241 -23.297 1.00 4.41 H new ATOM 0 HB2 GLN A 63 -3.348 1.290 -21.853 1.00 72.11 H new ATOM 0 HB3 GLN A 63 -4.165 1.934 -20.443 1.00 72.11 H new ATOM 0 HG2 GLN A 63 -5.176 -0.077 -20.337 1.00 12.03 H new ATOM 0 HG3 GLN A 63 -6.206 0.530 -21.620 1.00 12.03 H new ATOM 0 HE21 GLN A 63 -6.275 -0.537 -23.522 1.00 14.13 H new ATOM 0 HE22 GLN A 63 -5.137 -1.798 -24.008 1.00 14.13 H new ATOM 1000 N LEU A 64 -6.124 3.911 -20.607 1.00 13.11 N ATOM 1001 CA LEU A 64 -7.288 4.442 -19.907 1.00 51.00 C ATOM 1002 C LEU A 64 -7.937 5.568 -20.705 1.00 11.52 C ATOM 1003 O LEU A 64 -9.151 5.763 -20.646 1.00 10.00 O ATOM 1004 CB LEU A 64 -6.886 4.950 -18.521 1.00 44.31 C ATOM 1005 CG LEU A 64 -6.042 3.996 -17.675 1.00 2.35 C ATOM 1006 CD1 LEU A 64 -5.441 4.727 -16.486 1.00 12.42 C ATOM 1007 CD2 LEU A 64 -6.880 2.813 -17.208 1.00 21.52 C ATOM 0 H LEU A 64 -5.228 4.188 -20.206 1.00 13.11 H new ATOM 0 HA LEU A 64 -8.013 3.636 -19.796 1.00 51.00 H new ATOM 0 HB2 LEU A 64 -6.333 5.881 -18.644 1.00 44.31 H new ATOM 0 HB3 LEU A 64 -7.793 5.189 -17.967 1.00 44.31 H new ATOM 0 HG LEU A 64 -5.227 3.618 -18.293 1.00 2.35 H new ATOM 0 HD11 LEU A 64 -4.844 4.032 -15.896 1.00 12.42 H new ATOM 0 HD12 LEU A 64 -4.807 5.539 -16.841 1.00 12.42 H new ATOM 0 HD13 LEU A 64 -6.241 5.135 -15.867 1.00 12.42 H new ATOM 0 HD21 LEU A 64 -6.263 2.145 -16.607 1.00 21.52 H new ATOM 0 HD22 LEU A 64 -7.715 3.173 -16.608 1.00 21.52 H new ATOM 0 HD23 LEU A 64 -7.262 2.273 -18.074 1.00 21.52 H new ATOM 1019 N GLN A 65 -7.120 6.302 -21.453 1.00 70.40 N ATOM 1020 CA GLN A 65 -7.616 7.408 -22.264 1.00 52.02 C ATOM 1021 C GLN A 65 -8.865 6.998 -23.038 1.00 30.43 C ATOM 1022 O GLN A 65 -9.932 7.596 -22.902 1.00 25.44 O ATOM 1023 CB GLN A 65 -6.533 7.881 -23.235 1.00 55.34 C ATOM 1024 CG GLN A 65 -7.071 8.716 -24.386 1.00 74.22 C ATOM 1025 CD GLN A 65 -7.146 7.940 -25.686 1.00 54.40 C ATOM 1026 OE1 GLN A 65 -8.233 7.651 -26.186 1.00 52.54 O ATOM 1027 NE2 GLN A 65 -5.988 7.598 -26.240 1.00 21.25 N ATOM 0 H GLN A 65 -6.113 6.151 -21.515 1.00 70.40 H new ATOM 0 HA GLN A 65 -7.878 8.228 -21.595 1.00 52.02 H new ATOM 0 HB2 GLN A 65 -5.795 8.466 -22.686 1.00 55.34 H new ATOM 0 HB3 GLN A 65 -6.014 7.012 -23.639 1.00 55.34 H new ATOM 0 HG2 GLN A 65 -8.064 9.084 -24.129 1.00 74.22 H new ATOM 0 HG3 GLN A 65 -6.434 9.589 -24.525 1.00 74.22 H new ATOM 0 HE21 GLN A 65 -5.111 7.859 -25.790 1.00 21.25 H new ATOM 0 HE22 GLN A 65 -5.976 7.074 -27.115 1.00 21.25 H new ATOM 1036 N PRO A 66 -8.731 5.954 -23.868 1.00 41.12 N ATOM 1037 CA PRO A 66 -9.839 5.441 -24.679 1.00 51.04 C ATOM 1038 C PRO A 66 -10.909 4.757 -23.835 1.00 35.41 C ATOM 1039 O PRO A 66 -11.990 4.436 -24.325 1.00 44.14 O ATOM 1040 CB PRO A 66 -9.162 4.429 -25.607 1.00 33.12 C ATOM 1041 CG PRO A 66 -7.942 3.996 -24.867 1.00 43.54 C ATOM 1042 CD PRO A 66 -7.489 5.193 -24.080 1.00 35.53 C ATOM 0 HA PRO A 66 -10.361 6.240 -25.206 1.00 51.04 H new ATOM 0 HB2 PRO A 66 -9.818 3.584 -25.818 1.00 33.12 H new ATOM 0 HB3 PRO A 66 -8.905 4.880 -26.565 1.00 33.12 H new ATOM 0 HG2 PRO A 66 -8.163 3.156 -24.208 1.00 43.54 H new ATOM 0 HG3 PRO A 66 -7.165 3.665 -25.556 1.00 43.54 H new ATOM 0 HD2 PRO A 66 -7.030 4.902 -23.135 1.00 35.53 H new ATOM 0 HD3 PRO A 66 -6.749 5.777 -24.627 1.00 35.53 H new ATOM 1050 N SER A 67 -10.598 4.536 -22.561 1.00 31.42 N ATOM 1051 CA SER A 67 -11.531 3.887 -21.648 1.00 70.34 C ATOM 1052 C SER A 67 -12.258 4.918 -20.789 1.00 61.34 C ATOM 1053 O SER A 67 -13.212 4.592 -20.082 1.00 35.44 O ATOM 1054 CB SER A 67 -10.793 2.892 -20.753 1.00 15.11 C ATOM 1055 OG SER A 67 -10.485 1.702 -21.458 1.00 10.00 O ATOM 0 H SER A 67 -9.707 4.797 -22.138 1.00 31.42 H new ATOM 0 HA SER A 67 -12.269 3.351 -22.244 1.00 70.34 H new ATOM 0 HB2 SER A 67 -9.875 3.345 -20.380 1.00 15.11 H new ATOM 0 HB3 SER A 67 -11.407 2.655 -19.884 1.00 15.11 H new ATOM 0 HG SER A 67 -10.012 1.083 -20.864 1.00 10.00 H new ATOM 1061 N LEU A 68 -11.801 6.164 -20.858 1.00 43.54 N ATOM 1062 CA LEU A 68 -12.407 7.245 -20.089 1.00 54.32 C ATOM 1063 C LEU A 68 -13.910 7.313 -20.335 1.00 63.24 C ATOM 1064 O LEU A 68 -14.657 7.854 -19.521 1.00 45.33 O ATOM 1065 CB LEU A 68 -11.757 8.581 -20.451 1.00 75.51 C ATOM 1066 CG LEU A 68 -10.451 8.912 -19.726 1.00 65.22 C ATOM 1067 CD1 LEU A 68 -9.627 9.900 -20.536 1.00 61.45 C ATOM 1068 CD2 LEU A 68 -10.738 9.464 -18.337 1.00 73.23 C ATOM 0 H LEU A 68 -11.013 6.450 -21.439 1.00 43.54 H new ATOM 0 HA LEU A 68 -12.241 7.043 -19.031 1.00 54.32 H new ATOM 0 HB2 LEU A 68 -11.566 8.590 -21.524 1.00 75.51 H new ATOM 0 HB3 LEU A 68 -12.473 9.377 -20.248 1.00 75.51 H new ATOM 0 HG LEU A 68 -9.874 7.994 -19.618 1.00 65.22 H new ATOM 0 HD11 LEU A 68 -8.702 10.124 -20.005 1.00 61.45 H new ATOM 0 HD12 LEU A 68 -9.392 9.467 -21.508 1.00 61.45 H new ATOM 0 HD13 LEU A 68 -10.196 10.819 -20.677 1.00 61.45 H new ATOM 0 HD21 LEU A 68 -9.798 9.694 -17.835 1.00 73.23 H new ATOM 0 HD22 LEU A 68 -11.335 10.372 -18.422 1.00 73.23 H new ATOM 0 HD23 LEU A 68 -11.287 8.722 -17.757 1.00 73.23 H new ATOM 1080 N GLN A 69 -14.345 6.761 -21.463 1.00 72.52 N ATOM 1081 CA GLN A 69 -15.759 6.759 -21.816 1.00 24.23 C ATOM 1082 C GLN A 69 -16.449 5.500 -21.297 1.00 74.44 C ATOM 1083 O GLN A 69 -17.557 5.560 -20.766 1.00 21.44 O ATOM 1084 CB GLN A 69 -15.929 6.858 -23.333 1.00 64.20 C ATOM 1085 CG GLN A 69 -17.372 7.047 -23.774 1.00 12.23 C ATOM 1086 CD GLN A 69 -17.562 6.821 -25.261 1.00 23.25 C ATOM 1087 OE1 GLN A 69 -16.812 6.074 -25.888 1.00 63.34 O ATOM 1088 NE2 GLN A 69 -18.571 7.468 -25.833 1.00 71.13 N ATOM 0 H GLN A 69 -13.738 6.310 -22.148 1.00 72.52 H new ATOM 0 HA GLN A 69 -16.224 7.626 -21.348 1.00 24.23 H new ATOM 0 HB2 GLN A 69 -15.333 7.692 -23.703 1.00 64.20 H new ATOM 0 HB3 GLN A 69 -15.533 5.953 -23.794 1.00 64.20 H new ATOM 0 HG2 GLN A 69 -18.010 6.358 -23.221 1.00 12.23 H new ATOM 0 HG3 GLN A 69 -17.697 8.056 -23.519 1.00 12.23 H new ATOM 0 HE21 GLN A 69 -19.168 8.078 -25.274 1.00 71.13 H new ATOM 0 HE22 GLN A 69 -18.749 7.355 -26.831 1.00 71.13 H new ATOM 1097 N THR A 70 -15.783 4.360 -21.455 1.00 41.10 N ATOM 1098 CA THR A 70 -16.331 3.088 -21.004 1.00 5.41 C ATOM 1099 C THR A 70 -16.302 2.984 -19.484 1.00 21.43 C ATOM 1100 O THR A 70 -17.330 2.753 -18.848 1.00 53.12 O ATOM 1101 CB THR A 70 -15.557 1.898 -21.603 1.00 21.11 C ATOM 1102 OG1 THR A 70 -14.329 2.355 -22.181 1.00 64.51 O ATOM 1103 CG2 THR A 70 -16.388 1.188 -22.661 1.00 64.53 C ATOM 0 H THR A 70 -14.864 4.292 -21.892 1.00 41.10 H new ATOM 0 HA THR A 70 -17.364 3.050 -21.348 1.00 5.41 H new ATOM 0 HB THR A 70 -15.341 1.192 -20.801 1.00 21.11 H new ATOM 0 HG1 THR A 70 -13.842 1.593 -22.558 1.00 64.51 H new ATOM 0 HG21 THR A 70 -15.820 0.352 -23.069 1.00 64.53 H new ATOM 0 HG22 THR A 70 -17.309 0.816 -22.211 1.00 64.53 H new ATOM 0 HG23 THR A 70 -16.631 1.886 -23.462 1.00 64.53 H new ATOM 1111 N GLY A 71 -15.118 3.157 -18.905 1.00 73.23 N ATOM 1112 CA GLY A 71 -14.977 3.080 -17.464 1.00 22.14 C ATOM 1113 C GLY A 71 -15.751 4.169 -16.747 1.00 61.11 C ATOM 1114 O GLY A 71 -16.066 5.205 -17.333 1.00 53.33 O ATOM 0 H GLY A 71 -14.253 3.349 -19.410 1.00 73.23 H new ATOM 0 HA2 GLY A 71 -15.323 2.106 -17.120 1.00 22.14 H new ATOM 0 HA3 GLY A 71 -13.922 3.155 -17.201 1.00 22.14 H new ATOM 1118 N SER A 72 -16.058 3.936 -15.475 1.00 5.22 N ATOM 1119 CA SER A 72 -16.804 4.903 -14.679 1.00 30.24 C ATOM 1120 C SER A 72 -15.872 5.959 -14.093 1.00 24.05 C ATOM 1121 O SER A 72 -14.758 6.155 -14.576 1.00 42.44 O ATOM 1122 CB SER A 72 -17.562 4.194 -13.555 1.00 34.31 C ATOM 1123 OG SER A 72 -16.693 3.856 -12.488 1.00 14.10 O ATOM 0 H SER A 72 -15.801 3.086 -14.974 1.00 5.22 H new ATOM 0 HA SER A 72 -17.521 5.399 -15.333 1.00 30.24 H new ATOM 0 HB2 SER A 72 -18.360 4.839 -13.188 1.00 34.31 H new ATOM 0 HB3 SER A 72 -18.034 3.292 -13.943 1.00 34.31 H new ATOM 0 HG SER A 72 -17.202 3.406 -11.782 1.00 14.10 H new ATOM 1129 N GLU A 73 -16.337 6.636 -13.047 1.00 2.21 N ATOM 1130 CA GLU A 73 -15.545 7.671 -12.395 1.00 21.24 C ATOM 1131 C GLU A 73 -14.318 7.072 -11.716 1.00 32.02 C ATOM 1132 O GLU A 73 -13.335 7.768 -11.460 1.00 50.32 O ATOM 1133 CB GLU A 73 -16.395 8.422 -11.366 1.00 52.43 C ATOM 1134 CG GLU A 73 -15.835 9.785 -10.994 1.00 3.23 C ATOM 1135 CD GLU A 73 -16.788 10.917 -11.328 1.00 14.23 C ATOM 1136 OE1 GLU A 73 -17.944 10.878 -10.857 1.00 53.31 O ATOM 1137 OE2 GLU A 73 -16.377 11.842 -12.061 1.00 40.40 O ATOM 0 H GLU A 73 -17.257 6.486 -12.634 1.00 2.21 H new ATOM 0 HA GLU A 73 -15.209 8.371 -13.160 1.00 21.24 H new ATOM 0 HB2 GLU A 73 -17.403 8.548 -11.762 1.00 52.43 H new ATOM 0 HB3 GLU A 73 -16.480 7.815 -10.465 1.00 52.43 H new ATOM 0 HG2 GLU A 73 -15.614 9.804 -9.927 1.00 3.23 H new ATOM 0 HG3 GLU A 73 -14.892 9.942 -11.518 1.00 3.23 H new ATOM 1144 N GLU A 74 -14.383 5.776 -11.426 1.00 53.43 N ATOM 1145 CA GLU A 74 -13.276 5.083 -10.776 1.00 4.31 C ATOM 1146 C GLU A 74 -12.009 5.166 -11.622 1.00 11.41 C ATOM 1147 O GLU A 74 -10.901 4.962 -11.123 1.00 64.42 O ATOM 1148 CB GLU A 74 -13.641 3.618 -10.525 1.00 33.44 C ATOM 1149 CG GLU A 74 -12.686 2.908 -9.579 1.00 43.45 C ATOM 1150 CD GLU A 74 -13.285 1.646 -8.986 1.00 70.30 C ATOM 1151 OE1 GLU A 74 -14.396 1.727 -8.420 1.00 35.01 O ATOM 1152 OE2 GLU A 74 -12.644 0.580 -9.087 1.00 70.23 O ATOM 0 H GLU A 74 -15.189 5.185 -11.630 1.00 53.43 H new ATOM 0 HA GLU A 74 -13.085 5.572 -9.821 1.00 4.31 H new ATOM 0 HB2 GLU A 74 -14.650 3.568 -10.115 1.00 33.44 H new ATOM 0 HB3 GLU A 74 -13.658 3.088 -11.477 1.00 33.44 H new ATOM 0 HG2 GLU A 74 -11.771 2.655 -10.114 1.00 43.45 H new ATOM 0 HG3 GLU A 74 -12.407 3.587 -8.773 1.00 43.45 H new ATOM 1159 N LEU A 75 -12.181 5.465 -12.905 1.00 1.20 N ATOM 1160 CA LEU A 75 -11.052 5.574 -13.823 1.00 52.21 C ATOM 1161 C LEU A 75 -10.599 7.024 -13.958 1.00 54.12 C ATOM 1162 O LEU A 75 -9.467 7.296 -14.359 1.00 33.43 O ATOM 1163 CB LEU A 75 -11.429 5.016 -15.196 1.00 53.42 C ATOM 1164 CG LEU A 75 -10.356 4.184 -15.900 1.00 60.03 C ATOM 1165 CD1 LEU A 75 -10.578 2.701 -15.647 1.00 60.43 C ATOM 1166 CD2 LEU A 75 -10.350 4.477 -17.393 1.00 72.13 C ATOM 0 H LEU A 75 -13.091 5.636 -13.333 1.00 1.20 H new ATOM 0 HA LEU A 75 -10.227 4.991 -13.415 1.00 52.21 H new ATOM 0 HB2 LEU A 75 -12.322 4.401 -15.083 1.00 53.42 H new ATOM 0 HB3 LEU A 75 -11.697 5.850 -15.844 1.00 53.42 H new ATOM 0 HG LEU A 75 -9.384 4.459 -15.491 1.00 60.03 H new ATOM 0 HD11 LEU A 75 -9.805 2.125 -16.156 1.00 60.43 H new ATOM 0 HD12 LEU A 75 -10.532 2.504 -14.576 1.00 60.43 H new ATOM 0 HD13 LEU A 75 -11.557 2.410 -16.028 1.00 60.43 H new ATOM 0 HD21 LEU A 75 -9.581 3.877 -17.879 1.00 72.13 H new ATOM 0 HD22 LEU A 75 -11.324 4.230 -17.816 1.00 72.13 H new ATOM 0 HD23 LEU A 75 -10.141 5.534 -17.555 1.00 72.13 H new ATOM 1178 N ARG A 76 -11.489 7.951 -13.619 1.00 12.01 N ATOM 1179 CA ARG A 76 -11.181 9.374 -13.702 1.00 54.21 C ATOM 1180 C ARG A 76 -10.051 9.742 -12.743 1.00 44.35 C ATOM 1181 O ARG A 76 -9.094 10.415 -13.125 1.00 1.52 O ATOM 1182 CB ARG A 76 -12.424 10.206 -13.386 1.00 23.15 C ATOM 1183 CG ARG A 76 -13.158 10.697 -14.623 1.00 22.33 C ATOM 1184 CD ARG A 76 -13.666 12.119 -14.440 1.00 71.51 C ATOM 1185 NE ARG A 76 -12.685 13.111 -14.874 1.00 1.25 N ATOM 1186 CZ ARG A 76 -12.993 14.368 -15.172 1.00 63.02 C ATOM 1187 NH1 ARG A 76 -14.249 14.785 -15.084 1.00 32.21 N ATOM 1188 NH2 ARG A 76 -12.044 15.211 -15.559 1.00 2.04 N ATOM 0 H ARG A 76 -12.430 7.742 -13.284 1.00 12.01 H new ATOM 0 HA ARG A 76 -10.857 9.592 -14.720 1.00 54.21 H new ATOM 0 HB2 ARG A 76 -13.107 9.609 -12.782 1.00 23.15 H new ATOM 0 HB3 ARG A 76 -12.132 11.065 -12.782 1.00 23.15 H new ATOM 0 HG2 ARG A 76 -12.491 10.655 -15.484 1.00 22.33 H new ATOM 0 HG3 ARG A 76 -13.997 10.034 -14.837 1.00 22.33 H new ATOM 0 HD2 ARG A 76 -14.589 12.250 -15.006 1.00 71.51 H new ATOM 0 HD3 ARG A 76 -13.909 12.285 -13.391 1.00 71.51 H new ATOM 0 HE ARG A 76 -11.710 12.822 -14.952 1.00 1.25 H new ATOM 0 HH11 ARG A 76 -14.981 14.140 -14.787 1.00 32.21 H new ATOM 0 HH12 ARG A 76 -14.483 15.751 -15.313 1.00 32.21 H new ATOM 0 HH21 ARG A 76 -11.077 14.894 -15.628 1.00 2.04 H new ATOM 0 HH22 ARG A 76 -12.282 16.176 -15.788 1.00 2.04 H new ATOM 1202 N SER A 77 -10.172 9.296 -11.497 1.00 54.22 N ATOM 1203 CA SER A 77 -9.164 9.582 -10.482 1.00 61.14 C ATOM 1204 C SER A 77 -7.782 9.132 -10.948 1.00 55.21 C ATOM 1205 O SER A 77 -6.774 9.774 -10.647 1.00 42.34 O ATOM 1206 CB SER A 77 -9.522 8.888 -9.167 1.00 10.31 C ATOM 1207 OG SER A 77 -10.465 9.647 -8.430 1.00 43.12 O ATOM 0 H SER A 77 -10.957 8.736 -11.166 1.00 54.22 H new ATOM 0 HA SER A 77 -9.142 10.660 -10.321 1.00 61.14 H new ATOM 0 HB2 SER A 77 -9.929 7.898 -9.374 1.00 10.31 H new ATOM 0 HB3 SER A 77 -8.621 8.744 -8.571 1.00 10.31 H new ATOM 0 HG SER A 77 -10.679 9.181 -7.595 1.00 43.12 H new ATOM 1213 N LEU A 78 -7.743 8.026 -11.682 1.00 54.44 N ATOM 1214 CA LEU A 78 -6.485 7.489 -12.190 1.00 12.24 C ATOM 1215 C LEU A 78 -5.866 8.430 -13.219 1.00 65.11 C ATOM 1216 O LEU A 78 -4.733 8.884 -13.057 1.00 44.15 O ATOM 1217 CB LEU A 78 -6.712 6.111 -12.814 1.00 12.31 C ATOM 1218 CG LEU A 78 -6.130 4.923 -12.047 1.00 53.25 C ATOM 1219 CD1 LEU A 78 -6.453 5.034 -10.565 1.00 44.51 C ATOM 1220 CD2 LEU A 78 -6.657 3.613 -12.614 1.00 2.44 C ATOM 0 H LEU A 78 -8.568 7.483 -11.939 1.00 54.44 H new ATOM 0 HA LEU A 78 -5.795 7.393 -11.352 1.00 12.24 H new ATOM 0 HB2 LEU A 78 -7.785 5.956 -12.924 1.00 12.31 H new ATOM 0 HB3 LEU A 78 -6.286 6.114 -13.817 1.00 12.31 H new ATOM 0 HG LEU A 78 -5.046 4.936 -12.163 1.00 53.25 H new ATOM 0 HD11 LEU A 78 -6.031 4.180 -10.036 1.00 44.51 H new ATOM 0 HD12 LEU A 78 -6.026 5.955 -10.167 1.00 44.51 H new ATOM 0 HD13 LEU A 78 -7.534 5.047 -10.428 1.00 44.51 H new ATOM 0 HD21 LEU A 78 -6.232 2.778 -12.056 1.00 2.44 H new ATOM 0 HD22 LEU A 78 -7.743 3.591 -12.529 1.00 2.44 H new ATOM 0 HD23 LEU A 78 -6.373 3.530 -13.663 1.00 2.44 H new ATOM 1232 N TYR A 79 -6.619 8.721 -14.274 1.00 54.45 N ATOM 1233 CA TYR A 79 -6.145 9.608 -15.329 1.00 61.34 C ATOM 1234 C TYR A 79 -5.620 10.916 -14.746 1.00 65.03 C ATOM 1235 O TYR A 79 -4.495 11.326 -15.026 1.00 33.23 O ATOM 1236 CB TYR A 79 -7.269 9.895 -16.327 1.00 12.51 C ATOM 1237 CG TYR A 79 -6.787 10.064 -17.750 1.00 22.11 C ATOM 1238 CD1 TYR A 79 -5.980 9.105 -18.350 1.00 24.13 C ATOM 1239 CD2 TYR A 79 -7.138 11.183 -18.494 1.00 62.43 C ATOM 1240 CE1 TYR A 79 -5.538 9.256 -19.649 1.00 52.02 C ATOM 1241 CE2 TYR A 79 -6.701 11.342 -19.795 1.00 55.11 C ATOM 1242 CZ TYR A 79 -5.901 10.375 -20.368 1.00 73.52 C ATOM 1243 OH TYR A 79 -5.462 10.530 -21.663 1.00 62.15 O ATOM 0 H TYR A 79 -7.560 8.356 -14.421 1.00 54.45 H new ATOM 0 HA TYR A 79 -5.327 9.109 -15.848 1.00 61.34 H new ATOM 0 HB2 TYR A 79 -7.992 9.080 -16.292 1.00 12.51 H new ATOM 0 HB3 TYR A 79 -7.794 10.800 -16.020 1.00 12.51 H new ATOM 0 HD1 TYR A 79 -5.694 8.227 -17.791 1.00 24.13 H new ATOM 0 HD2 TYR A 79 -7.763 11.942 -18.048 1.00 62.43 H new ATOM 0 HE1 TYR A 79 -4.911 8.501 -20.100 1.00 52.02 H new ATOM 0 HE2 TYR A 79 -6.984 12.218 -20.360 1.00 55.11 H new ATOM 0 HH TYR A 79 -5.808 11.371 -22.027 1.00 62.15 H new ATOM 1253 N ASN A 80 -6.446 11.567 -13.934 1.00 23.33 N ATOM 1254 CA ASN A 80 -6.067 12.830 -13.309 1.00 43.04 C ATOM 1255 C ASN A 80 -4.725 12.702 -12.596 1.00 63.20 C ATOM 1256 O ASN A 80 -3.781 13.439 -12.887 1.00 42.30 O ATOM 1257 CB ASN A 80 -7.144 13.277 -12.318 1.00 44.31 C ATOM 1258 CG ASN A 80 -8.159 14.210 -12.949 1.00 31.34 C ATOM 1259 OD1 ASN A 80 -8.115 15.423 -12.743 1.00 11.33 O ATOM 1260 ND2 ASN A 80 -9.080 13.648 -13.723 1.00 40.10 N ATOM 0 H ASN A 80 -7.382 11.241 -13.693 1.00 23.33 H new ATOM 0 HA ASN A 80 -5.972 13.581 -14.093 1.00 43.04 H new ATOM 0 HB2 ASN A 80 -7.657 12.400 -11.923 1.00 44.31 H new ATOM 0 HB3 ASN A 80 -6.671 13.777 -11.473 1.00 44.31 H new ATOM 0 HD21 ASN A 80 -9.789 14.226 -14.175 1.00 40.10 H new ATOM 0 HD22 ASN A 80 -9.079 12.638 -13.866 1.00 40.10 H new ATOM 1267 N THR A 81 -4.646 11.763 -11.659 1.00 13.43 N ATOM 1268 CA THR A 81 -3.420 11.538 -10.903 1.00 31.03 C ATOM 1269 C THR A 81 -2.250 11.232 -11.831 1.00 55.00 C ATOM 1270 O THR A 81 -1.261 11.964 -11.861 1.00 71.45 O ATOM 1271 CB THR A 81 -3.582 10.381 -9.900 1.00 41.33 C ATOM 1272 OG1 THR A 81 -4.710 10.621 -9.053 1.00 3.24 O ATOM 1273 CG2 THR A 81 -2.330 10.220 -9.052 1.00 13.11 C ATOM 0 H THR A 81 -5.417 11.145 -11.405 1.00 13.43 H new ATOM 0 HA THR A 81 -3.214 12.457 -10.355 1.00 31.03 H new ATOM 0 HB THR A 81 -3.741 9.461 -10.463 1.00 41.33 H new ATOM 0 HG1 THR A 81 -5.535 10.415 -9.541 1.00 3.24 H new ATOM 0 HG21 THR A 81 -2.469 9.397 -8.351 1.00 13.11 H new ATOM 0 HG22 THR A 81 -1.478 10.007 -9.698 1.00 13.11 H new ATOM 0 HG23 THR A 81 -2.145 11.140 -8.498 1.00 13.11 H new ATOM 1281 N ILE A 82 -2.369 10.146 -12.587 1.00 61.03 N ATOM 1282 CA ILE A 82 -1.322 9.744 -13.517 1.00 61.22 C ATOM 1283 C ILE A 82 -0.865 10.921 -14.372 1.00 52.42 C ATOM 1284 O ILE A 82 0.330 11.113 -14.594 1.00 60.25 O ATOM 1285 CB ILE A 82 -1.795 8.606 -14.442 1.00 0.34 C ATOM 1286 CG1 ILE A 82 -2.146 7.365 -13.618 1.00 42.35 C ATOM 1287 CG2 ILE A 82 -0.724 8.280 -15.472 1.00 34.23 C ATOM 1288 CD1 ILE A 82 -3.343 6.607 -14.149 1.00 43.45 C ATOM 0 H ILE A 82 -3.181 9.529 -12.573 1.00 61.03 H new ATOM 0 HA ILE A 82 -0.486 9.388 -12.915 1.00 61.22 H new ATOM 0 HB ILE A 82 -2.690 8.934 -14.971 1.00 0.34 H new ATOM 0 HG12 ILE A 82 -1.284 6.698 -13.595 1.00 42.35 H new ATOM 0 HG13 ILE A 82 -2.343 7.666 -12.589 1.00 42.35 H new ATOM 0 HG21 ILE A 82 -1.073 7.474 -16.118 1.00 34.23 H new ATOM 0 HG22 ILE A 82 -0.518 9.164 -16.075 1.00 34.23 H new ATOM 0 HG23 ILE A 82 0.188 7.967 -14.963 1.00 34.23 H new ATOM 0 HD11 ILE A 82 -3.534 5.740 -13.517 1.00 43.45 H new ATOM 0 HD12 ILE A 82 -4.217 7.258 -14.146 1.00 43.45 H new ATOM 0 HD13 ILE A 82 -3.141 6.276 -15.168 1.00 43.45 H new ATOM 1300 N ALA A 83 -1.825 11.707 -14.849 1.00 34.45 N ATOM 1301 CA ALA A 83 -1.522 12.868 -15.675 1.00 74.34 C ATOM 1302 C ALA A 83 -0.488 13.767 -15.004 1.00 0.34 C ATOM 1303 O ALA A 83 0.519 14.133 -15.609 1.00 44.21 O ATOM 1304 CB ALA A 83 -2.791 13.652 -15.971 1.00 62.25 C ATOM 0 H ALA A 83 -2.820 11.560 -14.677 1.00 34.45 H new ATOM 0 HA ALA A 83 -1.100 12.512 -16.615 1.00 74.34 H new ATOM 0 HB1 ALA A 83 -2.549 14.517 -16.589 1.00 62.25 H new ATOM 0 HB2 ALA A 83 -3.498 13.014 -16.501 1.00 62.25 H new ATOM 0 HB3 ALA A 83 -3.237 13.989 -15.035 1.00 62.25 H new ATOM 1310 N VAL A 84 -0.745 14.120 -13.748 1.00 10.11 N ATOM 1311 CA VAL A 84 0.163 14.975 -12.993 1.00 42.52 C ATOM 1312 C VAL A 84 1.548 14.347 -12.885 1.00 3.44 C ATOM 1313 O VAL A 84 2.563 15.030 -13.012 1.00 73.42 O ATOM 1314 CB VAL A 84 -0.375 15.253 -11.577 1.00 12.32 C ATOM 1315 CG1 VAL A 84 0.625 16.075 -10.777 1.00 51.30 C ATOM 1316 CG2 VAL A 84 -1.722 15.956 -11.646 1.00 61.45 C ATOM 0 H VAL A 84 -1.575 13.827 -13.232 1.00 10.11 H new ATOM 0 HA VAL A 84 0.236 15.917 -13.537 1.00 42.52 H new ATOM 0 HB VAL A 84 -0.515 14.300 -11.068 1.00 12.32 H new ATOM 0 HG11 VAL A 84 0.227 16.261 -9.779 1.00 51.30 H new ATOM 0 HG12 VAL A 84 1.564 15.528 -10.697 1.00 51.30 H new ATOM 0 HG13 VAL A 84 0.801 17.025 -11.281 1.00 51.30 H new ATOM 0 HG21 VAL A 84 -2.086 16.144 -10.636 1.00 61.45 H new ATOM 0 HG22 VAL A 84 -1.612 16.903 -12.174 1.00 61.45 H new ATOM 0 HG23 VAL A 84 -2.435 15.325 -12.177 1.00 61.45 H new ATOM 1326 N LEU A 85 1.581 13.040 -12.650 1.00 3.32 N ATOM 1327 CA LEU A 85 2.842 12.317 -12.525 1.00 41.25 C ATOM 1328 C LEU A 85 3.620 12.350 -13.836 1.00 54.15 C ATOM 1329 O LEU A 85 4.802 12.698 -13.860 1.00 44.33 O ATOM 1330 CB LEU A 85 2.583 10.868 -12.109 1.00 75.25 C ATOM 1331 CG LEU A 85 3.633 10.234 -11.195 1.00 43.31 C ATOM 1332 CD1 LEU A 85 2.990 9.733 -9.911 1.00 63.11 C ATOM 1333 CD2 LEU A 85 4.349 9.099 -11.912 1.00 70.31 C ATOM 0 H LEU A 85 0.749 12.459 -12.542 1.00 3.32 H new ATOM 0 HA LEU A 85 3.439 12.808 -11.757 1.00 41.25 H new ATOM 0 HB2 LEU A 85 1.617 10.823 -11.606 1.00 75.25 H new ATOM 0 HB3 LEU A 85 2.501 10.261 -13.011 1.00 75.25 H new ATOM 0 HG LEU A 85 4.369 10.995 -10.936 1.00 43.31 H new ATOM 0 HD11 LEU A 85 3.752 9.285 -9.273 1.00 63.11 H new ATOM 0 HD12 LEU A 85 2.524 10.568 -9.388 1.00 63.11 H new ATOM 0 HD13 LEU A 85 2.233 8.986 -10.151 1.00 63.11 H new ATOM 0 HD21 LEU A 85 5.092 8.660 -11.247 1.00 70.31 H new ATOM 0 HD22 LEU A 85 3.625 8.337 -12.201 1.00 70.31 H new ATOM 0 HD23 LEU A 85 4.843 9.486 -12.803 1.00 70.31 H new ATOM 1345 N TYR A 86 2.951 11.988 -14.925 1.00 20.43 N ATOM 1346 CA TYR A 86 3.581 11.977 -16.240 1.00 2.41 C ATOM 1347 C TYR A 86 4.228 13.323 -16.547 1.00 21.25 C ATOM 1348 O TYR A 86 5.381 13.387 -16.974 1.00 33.45 O ATOM 1349 CB TYR A 86 2.550 11.636 -17.319 1.00 1.24 C ATOM 1350 CG TYR A 86 3.048 11.867 -18.727 1.00 14.20 C ATOM 1351 CD1 TYR A 86 4.037 11.061 -19.277 1.00 13.14 C ATOM 1352 CD2 TYR A 86 2.530 12.893 -19.509 1.00 11.24 C ATOM 1353 CE1 TYR A 86 4.497 11.269 -20.563 1.00 24.04 C ATOM 1354 CE2 TYR A 86 2.982 13.107 -20.796 1.00 73.45 C ATOM 1355 CZ TYR A 86 3.966 12.294 -21.319 1.00 23.01 C ATOM 1356 OH TYR A 86 4.419 12.503 -22.601 1.00 23.55 O ATOM 0 H TYR A 86 1.973 11.698 -14.923 1.00 20.43 H new ATOM 0 HA TYR A 86 4.359 11.214 -16.235 1.00 2.41 H new ATOM 0 HB2 TYR A 86 2.258 10.591 -17.213 1.00 1.24 H new ATOM 0 HB3 TYR A 86 1.654 12.236 -17.156 1.00 1.24 H new ATOM 0 HD1 TYR A 86 4.454 10.257 -18.688 1.00 13.14 H new ATOM 0 HD2 TYR A 86 1.761 13.534 -19.103 1.00 11.24 H new ATOM 0 HE1 TYR A 86 5.267 10.633 -20.974 1.00 24.04 H new ATOM 0 HE2 TYR A 86 2.567 13.907 -21.391 1.00 73.45 H new ATOM 0 HH TYR A 86 3.942 13.262 -22.997 1.00 23.55 H new ATOM 1366 N CYS A 87 3.477 14.396 -16.326 1.00 33.34 N ATOM 1367 CA CYS A 87 3.976 15.744 -16.577 1.00 22.31 C ATOM 1368 C CYS A 87 5.288 15.985 -15.838 1.00 30.40 C ATOM 1369 O CYS A 87 6.292 16.364 -16.441 1.00 41.31 O ATOM 1370 CB CYS A 87 2.937 16.783 -16.151 1.00 34.10 C ATOM 1371 SG CYS A 87 1.828 17.307 -17.480 1.00 34.24 S ATOM 0 H CYS A 87 2.521 14.359 -15.974 1.00 33.34 H new ATOM 0 HA CYS A 87 4.160 15.843 -17.647 1.00 22.31 H new ATOM 0 HB2 CYS A 87 2.341 16.372 -15.336 1.00 34.10 H new ATOM 0 HB3 CYS A 87 3.454 17.658 -15.758 1.00 34.10 H new ATOM 0 HG CYS A 87 0.985 18.184 -17.021 1.00 34.24 H new ATOM 1377 N VAL A 88 5.271 15.765 -14.527 1.00 1.22 N ATOM 1378 CA VAL A 88 6.459 15.960 -13.705 1.00 14.53 C ATOM 1379 C VAL A 88 7.656 15.211 -14.281 1.00 1.50 C ATOM 1380 O VAL A 88 8.769 15.733 -14.320 1.00 13.24 O ATOM 1381 CB VAL A 88 6.223 15.490 -12.257 1.00 2.40 C ATOM 1382 CG1 VAL A 88 7.474 15.693 -11.418 1.00 32.44 C ATOM 1383 CG2 VAL A 88 5.036 16.221 -11.647 1.00 15.22 C ATOM 0 H VAL A 88 4.448 15.452 -14.012 1.00 1.22 H new ATOM 0 HA VAL A 88 6.670 17.029 -13.703 1.00 14.53 H new ATOM 0 HB VAL A 88 5.995 14.424 -12.272 1.00 2.40 H new ATOM 0 HG11 VAL A 88 7.287 15.355 -10.399 1.00 32.44 H new ATOM 0 HG12 VAL A 88 8.296 15.119 -11.846 1.00 32.44 H new ATOM 0 HG13 VAL A 88 7.737 16.751 -11.407 1.00 32.44 H new ATOM 0 HG21 VAL A 88 4.883 15.877 -10.624 1.00 15.22 H new ATOM 0 HG22 VAL A 88 5.232 17.293 -11.644 1.00 15.22 H new ATOM 0 HG23 VAL A 88 4.142 16.017 -12.236 1.00 15.22 H new ATOM 1393 N HIS A 89 7.417 13.981 -14.730 1.00 31.54 N ATOM 1394 CA HIS A 89 8.475 13.159 -15.307 1.00 55.13 C ATOM 1395 C HIS A 89 9.056 13.819 -16.554 1.00 40.23 C ATOM 1396 O HIS A 89 10.264 13.693 -16.750 1.00 1.42 O ATOM 1397 CB HIS A 89 7.939 11.770 -15.654 1.00 62.32 C ATOM 1398 CG HIS A 89 7.897 10.835 -14.484 1.00 73.13 C ATOM 1399 ND1 HIS A 89 8.788 10.904 -13.434 1.00 11.20 N ATOM 1400 CD2 HIS A 89 7.066 9.805 -14.203 1.00 42.11 C ATOM 1401 CE1 HIS A 89 8.506 9.956 -12.558 1.00 42.22 C ATOM 1402 NE2 HIS A 89 7.464 9.276 -13.001 1.00 43.25 N ATOM 0 H HIS A 89 6.501 13.533 -14.705 1.00 31.54 H new ATOM 0 HA HIS A 89 9.269 13.059 -14.566 1.00 55.13 H new ATOM 0 HB2 HIS A 89 6.935 11.869 -16.065 1.00 62.32 H new ATOM 0 HB3 HIS A 89 8.562 11.334 -16.435 1.00 62.32 H new ATOM 0 HD2 HIS A 89 6.242 9.463 -14.812 1.00 42.11 H new ATOM 0 HE1 HIS A 89 9.037 9.769 -11.636 1.00 42.22 H new ATOM 0 HE2 HIS A 89 7.026 8.486 -12.527 1.00 43.25 H new ATOM 1411 N GLN A 90 8.256 14.495 -17.373 1.00 53.11 N ATOM 1412 CA GLN A 90 8.766 15.141 -18.577 1.00 0.32 C ATOM 1413 C GLN A 90 9.168 16.585 -18.292 1.00 12.43 C ATOM 1414 O GLN A 90 9.080 17.447 -19.165 1.00 71.14 O ATOM 1415 CB GLN A 90 7.715 15.101 -19.687 1.00 64.24 C ATOM 1416 CG GLN A 90 7.476 13.709 -20.249 1.00 61.32 C ATOM 1417 CD GLN A 90 8.500 13.320 -21.297 1.00 62.34 C ATOM 1418 OE1 GLN A 90 9.354 12.465 -21.061 1.00 1.34 O ATOM 1419 NE2 GLN A 90 8.420 13.947 -22.465 1.00 64.24 N ATOM 0 H GLN A 90 7.253 14.609 -17.225 1.00 53.11 H new ATOM 0 HA GLN A 90 9.651 14.595 -18.905 1.00 0.32 H new ATOM 0 HB2 GLN A 90 6.775 15.494 -19.300 1.00 64.24 H new ATOM 0 HB3 GLN A 90 8.028 15.762 -20.496 1.00 64.24 H new ATOM 0 HG2 GLN A 90 7.500 12.984 -19.436 1.00 61.32 H new ATOM 0 HG3 GLN A 90 6.479 13.664 -20.686 1.00 61.32 H new ATOM 0 HE21 GLN A 90 7.696 14.649 -22.618 1.00 64.24 H new ATOM 0 HE22 GLN A 90 9.082 13.726 -23.209 1.00 64.24 H new ATOM 1428 N ARG A 91 9.608 16.840 -17.064 1.00 4.41 N ATOM 1429 CA ARG A 91 10.020 18.179 -16.664 1.00 14.04 C ATOM 1430 C ARG A 91 8.890 19.182 -16.872 1.00 50.01 C ATOM 1431 O ARG A 91 9.128 20.334 -17.235 1.00 73.42 O ATOM 1432 CB ARG A 91 11.255 18.614 -17.456 1.00 15.53 C ATOM 1433 CG ARG A 91 12.116 19.634 -16.731 1.00 30.34 C ATOM 1434 CD ARG A 91 13.556 19.599 -17.220 1.00 44.33 C ATOM 1435 NE ARG A 91 14.437 20.414 -16.389 1.00 3.31 N ATOM 1436 CZ ARG A 91 14.470 21.741 -16.436 1.00 15.52 C ATOM 1437 NH1 ARG A 91 13.675 22.399 -17.268 1.00 73.24 N ATOM 1438 NH2 ARG A 91 15.301 22.412 -15.647 1.00 63.12 N ATOM 0 H ARG A 91 9.688 16.137 -16.330 1.00 4.41 H new ATOM 0 HA ARG A 91 10.268 18.153 -15.603 1.00 14.04 H new ATOM 0 HB2 ARG A 91 11.860 17.735 -17.681 1.00 15.53 H new ATOM 0 HB3 ARG A 91 10.935 19.034 -18.410 1.00 15.53 H new ATOM 0 HG2 ARG A 91 11.704 20.632 -16.882 1.00 30.34 H new ATOM 0 HG3 ARG A 91 12.090 19.437 -15.659 1.00 30.34 H new ATOM 0 HD2 ARG A 91 13.912 18.569 -17.224 1.00 44.33 H new ATOM 0 HD3 ARG A 91 13.598 19.955 -18.250 1.00 44.33 H new ATOM 0 HE ARG A 91 15.061 19.939 -15.737 1.00 3.31 H new ATOM 0 HH11 ARG A 91 13.035 21.886 -17.875 1.00 73.24 H new ATOM 0 HH12 ARG A 91 13.703 23.418 -17.301 1.00 73.24 H new ATOM 0 HH21 ARG A 91 15.913 21.908 -15.005 1.00 63.12 H new ATOM 0 HH22 ARG A 91 15.327 23.431 -15.683 1.00 63.12 H new ATOM 1452 N ILE A 92 7.660 18.736 -16.641 1.00 32.12 N ATOM 1453 CA ILE A 92 6.493 19.594 -16.803 1.00 33.43 C ATOM 1454 C ILE A 92 5.873 19.940 -15.453 1.00 13.43 C ATOM 1455 O ILE A 92 5.456 19.055 -14.705 1.00 34.53 O ATOM 1456 CB ILE A 92 5.425 18.930 -17.691 1.00 21.52 C ATOM 1457 CG1 ILE A 92 6.069 18.345 -18.950 1.00 73.32 C ATOM 1458 CG2 ILE A 92 4.345 19.935 -18.061 1.00 23.33 C ATOM 1459 CD1 ILE A 92 5.084 17.660 -19.869 1.00 44.44 C ATOM 0 H ILE A 92 7.446 17.785 -16.341 1.00 32.12 H new ATOM 0 HA ILE A 92 6.838 20.508 -17.286 1.00 33.43 H new ATOM 0 HB ILE A 92 4.962 18.117 -17.131 1.00 21.52 H new ATOM 0 HG12 ILE A 92 6.569 19.144 -19.497 1.00 73.32 H new ATOM 0 HG13 ILE A 92 6.838 17.630 -18.657 1.00 73.32 H new ATOM 0 HG21 ILE A 92 3.597 19.451 -18.689 1.00 23.33 H new ATOM 0 HG22 ILE A 92 3.870 20.309 -17.154 1.00 23.33 H new ATOM 0 HG23 ILE A 92 4.793 20.766 -18.606 1.00 23.33 H new ATOM 0 HD11 ILE A 92 5.610 17.270 -20.740 1.00 44.44 H new ATOM 0 HD12 ILE A 92 4.602 16.839 -19.338 1.00 44.44 H new ATOM 0 HD13 ILE A 92 4.329 18.377 -20.192 1.00 44.44 H new ATOM 1471 N ASP A 93 5.813 21.232 -15.149 1.00 60.00 N ATOM 1472 CA ASP A 93 5.240 21.695 -13.890 1.00 15.41 C ATOM 1473 C ASP A 93 3.914 22.411 -14.128 1.00 13.23 C ATOM 1474 O ASP A 93 3.817 23.294 -14.979 1.00 50.42 O ATOM 1475 CB ASP A 93 6.218 22.629 -13.174 1.00 42.13 C ATOM 1476 CG ASP A 93 6.187 22.456 -11.669 1.00 12.03 C ATOM 1477 OD1 ASP A 93 5.160 22.810 -11.052 1.00 54.30 O ATOM 1478 OD2 ASP A 93 7.190 21.966 -11.106 1.00 45.25 O ATOM 0 H ASP A 93 6.154 21.977 -15.757 1.00 60.00 H new ATOM 0 HA ASP A 93 5.054 20.825 -13.261 1.00 15.41 H new ATOM 0 HB2 ASP A 93 7.228 22.441 -13.538 1.00 42.13 H new ATOM 0 HB3 ASP A 93 5.977 23.662 -13.423 1.00 42.13 H new ATOM 1483 N VAL A 94 2.894 22.022 -13.369 1.00 52.10 N ATOM 1484 CA VAL A 94 1.574 22.626 -13.496 1.00 62.41 C ATOM 1485 C VAL A 94 1.162 23.325 -12.205 1.00 64.41 C ATOM 1486 O VAL A 94 1.684 23.027 -11.131 1.00 74.42 O ATOM 1487 CB VAL A 94 0.508 21.575 -13.860 1.00 53.01 C ATOM 1488 CG1 VAL A 94 0.806 20.961 -15.220 1.00 21.44 C ATOM 1489 CG2 VAL A 94 0.433 20.500 -12.786 1.00 63.30 C ATOM 0 H VAL A 94 2.957 21.291 -12.660 1.00 52.10 H new ATOM 0 HA VAL A 94 1.639 23.361 -14.299 1.00 62.41 H new ATOM 0 HB VAL A 94 -0.462 22.070 -13.916 1.00 53.01 H new ATOM 0 HG11 VAL A 94 0.043 20.221 -15.460 1.00 21.44 H new ATOM 0 HG12 VAL A 94 0.806 21.742 -15.980 1.00 21.44 H new ATOM 0 HG13 VAL A 94 1.783 20.479 -15.195 1.00 21.44 H new ATOM 0 HG21 VAL A 94 -0.325 19.766 -13.059 1.00 63.30 H new ATOM 0 HG22 VAL A 94 1.401 20.007 -12.697 1.00 63.30 H new ATOM 0 HG23 VAL A 94 0.169 20.957 -11.832 1.00 63.30 H new ATOM 1499 N LYS A 95 0.222 24.256 -12.317 1.00 63.52 N ATOM 1500 CA LYS A 95 -0.264 24.999 -11.159 1.00 54.21 C ATOM 1501 C LYS A 95 -1.267 24.169 -10.364 1.00 32.22 C ATOM 1502 O LYS A 95 -1.594 24.500 -9.224 1.00 24.45 O ATOM 1503 CB LYS A 95 -0.910 26.313 -11.604 1.00 1.23 C ATOM 1504 CG LYS A 95 -2.062 26.125 -12.576 1.00 35.31 C ATOM 1505 CD LYS A 95 -2.078 27.213 -13.638 1.00 13.34 C ATOM 1506 CE LYS A 95 -3.463 27.821 -13.791 1.00 31.32 C ATOM 1507 NZ LYS A 95 -4.316 27.032 -14.722 1.00 42.13 N ATOM 0 H LYS A 95 -0.220 24.515 -13.199 1.00 63.52 H new ATOM 0 HA LYS A 95 0.588 25.221 -10.516 1.00 54.21 H new ATOM 0 HB2 LYS A 95 -1.271 26.847 -10.725 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -0.151 26.942 -12.070 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -1.980 25.149 -13.055 1.00 35.31 H new ATOM 0 HG3 LYS A 95 -3.005 26.134 -12.030 1.00 35.31 H new ATOM 0 HD2 LYS A 95 -1.364 27.993 -13.372 1.00 13.34 H new ATOM 0 HD3 LYS A 95 -1.755 26.797 -14.592 1.00 13.34 H new ATOM 0 HE2 LYS A 95 -3.945 27.876 -12.815 1.00 31.32 H new ATOM 0 HE3 LYS A 95 -3.372 28.843 -14.160 1.00 31.32 H new ATOM 0 HZ1 LYS A 95 -5.227 27.516 -14.852 1.00 42.13 H new ATOM 0 HZ2 LYS A 95 -3.837 26.943 -15.641 1.00 42.13 H new ATOM 0 HZ3 LYS A 95 -4.480 26.085 -14.324 1.00 42.13 H new ATOM 1521 N ASP A 96 -1.750 23.091 -10.970 1.00 32.43 N ATOM 1522 CA ASP A 96 -2.714 22.213 -10.317 1.00 53.32 C ATOM 1523 C ASP A 96 -3.029 21.005 -11.193 1.00 64.05 C ATOM 1524 O ASP A 96 -2.581 20.920 -12.337 1.00 42.31 O ATOM 1525 CB ASP A 96 -3.999 22.979 -9.999 1.00 0.15 C ATOM 1526 CG ASP A 96 -4.424 23.892 -11.132 1.00 31.23 C ATOM 1527 OD1 ASP A 96 -4.524 23.408 -12.279 1.00 2.53 O ATOM 1528 OD2 ASP A 96 -4.658 25.091 -10.871 1.00 54.45 O ATOM 0 H ASP A 96 -1.490 22.803 -11.913 1.00 32.43 H new ATOM 0 HA ASP A 96 -2.273 21.858 -9.386 1.00 53.32 H new ATOM 0 HB2 ASP A 96 -4.799 22.269 -9.789 1.00 0.15 H new ATOM 0 HB3 ASP A 96 -3.852 23.570 -9.095 1.00 0.15 H new ATOM 1533 N THR A 97 -3.805 20.073 -10.649 1.00 40.32 N ATOM 1534 CA THR A 97 -4.180 18.869 -11.381 1.00 10.25 C ATOM 1535 C THR A 97 -5.086 19.201 -12.561 1.00 22.45 C ATOM 1536 O THR A 97 -5.377 18.343 -13.394 1.00 72.40 O ATOM 1537 CB THR A 97 -4.897 17.857 -10.466 1.00 11.31 C ATOM 1538 OG1 THR A 97 -4.127 17.638 -9.279 1.00 31.43 O ATOM 1539 CG2 THR A 97 -5.113 16.534 -11.187 1.00 34.52 C ATOM 0 H THR A 97 -4.186 20.129 -9.704 1.00 40.32 H new ATOM 0 HA THR A 97 -3.257 18.424 -11.751 1.00 10.25 H new ATOM 0 HB THR A 97 -5.869 18.270 -10.197 1.00 11.31 H new ATOM 0 HG1 THR A 97 -3.824 16.706 -9.253 1.00 31.43 H new ATOM 0 HG21 THR A 97 -5.621 15.836 -10.522 1.00 34.52 H new ATOM 0 HG22 THR A 97 -5.724 16.699 -12.074 1.00 34.52 H new ATOM 0 HG23 THR A 97 -4.149 16.119 -11.482 1.00 34.52 H new ATOM 1547 N LYS A 98 -5.529 20.452 -12.626 1.00 1.13 N ATOM 1548 CA LYS A 98 -6.401 20.900 -13.705 1.00 11.31 C ATOM 1549 C LYS A 98 -5.585 21.335 -14.918 1.00 3.11 C ATOM 1550 O LYS A 98 -5.965 21.071 -16.059 1.00 35.43 O ATOM 1551 CB LYS A 98 -7.284 22.056 -13.228 1.00 74.02 C ATOM 1552 CG LYS A 98 -8.396 22.412 -14.199 1.00 51.34 C ATOM 1553 CD LYS A 98 -8.034 23.622 -15.044 1.00 12.11 C ATOM 1554 CE LYS A 98 -9.270 24.412 -15.446 1.00 71.10 C ATOM 1555 NZ LYS A 98 -9.893 23.873 -16.686 1.00 54.33 N ATOM 0 H LYS A 98 -5.298 21.174 -11.943 1.00 1.13 H new ATOM 0 HA LYS A 98 -7.036 20.064 -13.998 1.00 11.31 H new ATOM 0 HB2 LYS A 98 -7.723 21.793 -12.266 1.00 74.02 H new ATOM 0 HB3 LYS A 98 -6.661 22.935 -13.064 1.00 74.02 H new ATOM 0 HG2 LYS A 98 -8.599 21.561 -14.849 1.00 51.34 H new ATOM 0 HG3 LYS A 98 -9.312 22.615 -13.645 1.00 51.34 H new ATOM 0 HD2 LYS A 98 -7.355 24.266 -14.486 1.00 12.11 H new ATOM 0 HD3 LYS A 98 -7.502 23.297 -15.938 1.00 12.11 H new ATOM 0 HE2 LYS A 98 -9.997 24.387 -14.634 1.00 71.10 H new ATOM 0 HE3 LYS A 98 -8.999 25.457 -15.600 1.00 71.10 H new ATOM 0 HZ1 LYS A 98 -10.732 24.438 -16.927 1.00 54.33 H new ATOM 0 HZ2 LYS A 98 -9.208 23.920 -17.467 1.00 54.33 H new ATOM 0 HZ3 LYS A 98 -10.175 22.884 -16.531 1.00 54.33 H new ATOM 1569 N GLU A 99 -4.465 22.003 -14.663 1.00 32.13 N ATOM 1570 CA GLU A 99 -3.596 22.474 -15.736 1.00 52.40 C ATOM 1571 C GLU A 99 -2.740 21.335 -16.283 1.00 1.35 C ATOM 1572 O GLU A 99 -2.155 21.446 -17.360 1.00 5.25 O ATOM 1573 CB GLU A 99 -2.697 23.607 -15.234 1.00 2.50 C ATOM 1574 CG GLU A 99 -2.007 24.374 -16.349 1.00 11.01 C ATOM 1575 CD GLU A 99 -0.549 24.657 -16.046 1.00 54.42 C ATOM 1576 OE1 GLU A 99 -0.252 25.097 -14.916 1.00 74.45 O ATOM 1577 OE2 GLU A 99 0.296 24.437 -16.939 1.00 41.35 O ATOM 0 H GLU A 99 -4.138 22.230 -13.724 1.00 32.13 H new ATOM 0 HA GLU A 99 -4.227 22.850 -16.541 1.00 52.40 H new ATOM 0 HB2 GLU A 99 -3.296 24.301 -14.644 1.00 2.50 H new ATOM 0 HB3 GLU A 99 -1.941 23.192 -14.568 1.00 2.50 H new ATOM 0 HG2 GLU A 99 -2.078 23.804 -17.275 1.00 11.01 H new ATOM 0 HG3 GLU A 99 -2.529 25.316 -16.514 1.00 11.01 H new ATOM 1584 N ALA A 100 -2.671 20.240 -15.531 1.00 23.32 N ATOM 1585 CA ALA A 100 -1.889 19.081 -15.939 1.00 45.15 C ATOM 1586 C ALA A 100 -2.616 18.279 -17.014 1.00 1.14 C ATOM 1587 O ALA A 100 -1.995 17.752 -17.937 1.00 55.02 O ATOM 1588 CB ALA A 100 -1.583 18.200 -14.737 1.00 50.11 C ATOM 0 H ALA A 100 -3.148 20.133 -14.636 1.00 23.32 H new ATOM 0 HA ALA A 100 -0.950 19.438 -16.362 1.00 45.15 H new ATOM 0 HB1 ALA A 100 -0.998 17.338 -15.057 1.00 50.11 H new ATOM 0 HB2 ALA A 100 -1.015 18.771 -14.002 1.00 50.11 H new ATOM 0 HB3 ALA A 100 -2.516 17.859 -14.289 1.00 50.11 H new ATOM 1594 N LEU A 101 -3.935 18.189 -16.886 1.00 4.35 N ATOM 1595 CA LEU A 101 -4.748 17.449 -17.846 1.00 22.02 C ATOM 1596 C LEU A 101 -4.853 18.205 -19.167 1.00 20.15 C ATOM 1597 O LEU A 101 -5.126 17.613 -20.211 1.00 75.54 O ATOM 1598 CB LEU A 101 -6.146 17.200 -17.275 1.00 71.03 C ATOM 1599 CG LEU A 101 -6.334 15.891 -16.509 1.00 13.21 C ATOM 1600 CD1 LEU A 101 -7.458 16.023 -15.494 1.00 0.21 C ATOM 1601 CD2 LEU A 101 -6.612 14.744 -17.470 1.00 64.12 C ATOM 0 H LEU A 101 -4.465 18.619 -16.128 1.00 4.35 H new ATOM 0 HA LEU A 101 -4.263 16.491 -18.034 1.00 22.02 H new ATOM 0 HB2 LEU A 101 -6.398 18.026 -16.610 1.00 71.03 H new ATOM 0 HB3 LEU A 101 -6.862 17.223 -18.097 1.00 71.03 H new ATOM 0 HG LEU A 101 -5.411 15.672 -15.972 1.00 13.21 H new ATOM 0 HD11 LEU A 101 -7.577 15.081 -14.958 1.00 0.21 H new ATOM 0 HD12 LEU A 101 -7.217 16.815 -14.785 1.00 0.21 H new ATOM 0 HD13 LEU A 101 -8.387 16.267 -16.009 1.00 0.21 H new ATOM 0 HD21 LEU A 101 -6.743 13.820 -16.906 1.00 64.12 H new ATOM 0 HD22 LEU A 101 -7.519 14.955 -18.036 1.00 64.12 H new ATOM 0 HD23 LEU A 101 -5.773 14.634 -18.157 1.00 64.12 H new ATOM 1613 N ASP A 102 -4.633 19.514 -19.112 1.00 41.22 N ATOM 1614 CA ASP A 102 -4.700 20.350 -20.305 1.00 35.55 C ATOM 1615 C ASP A 102 -3.326 20.479 -20.956 1.00 14.52 C ATOM 1616 O ASP A 102 -3.196 20.407 -22.178 1.00 0.42 O ATOM 1617 CB ASP A 102 -5.242 21.736 -19.952 1.00 75.55 C ATOM 1618 CG ASP A 102 -6.616 21.987 -20.543 1.00 31.12 C ATOM 1619 OD1 ASP A 102 -6.689 22.448 -21.701 1.00 22.21 O ATOM 1620 OD2 ASP A 102 -7.617 21.722 -19.846 1.00 63.25 O ATOM 0 H ASP A 102 -4.407 20.019 -18.255 1.00 41.22 H new ATOM 0 HA ASP A 102 -5.376 19.874 -21.015 1.00 35.55 H new ATOM 0 HB2 ASP A 102 -5.291 21.839 -18.868 1.00 75.55 H new ATOM 0 HB3 ASP A 102 -4.550 22.497 -20.313 1.00 75.55 H new ATOM 1625 N LYS A 103 -2.302 20.672 -20.131 1.00 13.52 N ATOM 1626 CA LYS A 103 -0.937 20.810 -20.624 1.00 60.24 C ATOM 1627 C LYS A 103 -0.510 19.567 -21.400 1.00 34.22 C ATOM 1628 O LYS A 103 0.225 19.661 -22.384 1.00 32.22 O ATOM 1629 CB LYS A 103 0.027 21.054 -19.461 1.00 2.13 C ATOM 1630 CG LYS A 103 1.476 21.195 -19.890 1.00 74.24 C ATOM 1631 CD LYS A 103 1.743 22.554 -20.517 1.00 44.44 C ATOM 1632 CE LYS A 103 2.884 22.491 -21.520 1.00 15.25 C ATOM 1633 NZ LYS A 103 3.359 23.849 -21.904 1.00 52.34 N ATOM 0 H LYS A 103 -2.392 20.736 -19.117 1.00 13.52 H new ATOM 0 HA LYS A 103 -0.907 21.666 -21.298 1.00 60.24 H new ATOM 0 HB2 LYS A 103 -0.276 21.958 -18.933 1.00 2.13 H new ATOM 0 HB3 LYS A 103 -0.055 20.229 -18.753 1.00 2.13 H new ATOM 0 HG2 LYS A 103 2.127 21.058 -19.027 1.00 74.24 H new ATOM 0 HG3 LYS A 103 1.723 20.409 -20.604 1.00 74.24 H new ATOM 0 HD2 LYS A 103 0.840 22.910 -21.013 1.00 44.44 H new ATOM 0 HD3 LYS A 103 1.983 23.275 -19.736 1.00 44.44 H new ATOM 0 HE2 LYS A 103 3.711 21.924 -21.094 1.00 15.25 H new ATOM 0 HE3 LYS A 103 2.556 21.956 -22.411 1.00 15.25 H new ATOM 0 HZ1 LYS A 103 4.137 23.764 -22.589 1.00 52.34 H new ATOM 0 HZ2 LYS A 103 2.576 24.382 -22.334 1.00 52.34 H new ATOM 0 HZ3 LYS A 103 3.696 24.351 -21.058 1.00 52.34 H new ATOM 1647 N ILE A 104 -0.976 18.407 -20.952 1.00 13.11 N ATOM 1648 CA ILE A 104 -0.644 17.148 -21.606 1.00 54.42 C ATOM 1649 C ILE A 104 -1.093 17.149 -23.062 1.00 62.24 C ATOM 1650 O ILE A 104 -0.347 16.742 -23.953 1.00 3.51 O ATOM 1651 CB ILE A 104 -1.288 15.950 -20.882 1.00 50.21 C ATOM 1652 CG1 ILE A 104 -0.586 15.693 -19.548 1.00 74.40 C ATOM 1653 CG2 ILE A 104 -1.237 14.710 -21.762 1.00 52.41 C ATOM 1654 CD1 ILE A 104 -1.407 14.869 -18.581 1.00 72.20 C ATOM 0 H ILE A 104 -1.585 18.313 -20.139 1.00 13.11 H new ATOM 0 HA ILE A 104 0.441 17.047 -21.563 1.00 54.42 H new ATOM 0 HB ILE A 104 -2.333 16.186 -20.680 1.00 50.21 H new ATOM 0 HG12 ILE A 104 0.359 15.183 -19.736 1.00 74.40 H new ATOM 0 HG13 ILE A 104 -0.345 16.649 -19.084 1.00 74.40 H new ATOM 0 HG21 ILE A 104 -1.696 13.872 -21.237 1.00 52.41 H new ATOM 0 HG22 ILE A 104 -1.780 14.899 -22.688 1.00 52.41 H new ATOM 0 HG23 ILE A 104 -0.199 14.470 -21.992 1.00 52.41 H new ATOM 0 HD11 ILE A 104 -0.846 14.727 -17.657 1.00 72.20 H new ATOM 0 HD12 ILE A 104 -2.341 15.387 -18.363 1.00 72.20 H new ATOM 0 HD13 ILE A 104 -1.626 13.898 -19.025 1.00 72.20 H new