USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 SER OG : rot 180:sc= 0.0426 USER MOD Set 1.2: A 23 HIS :FLIP no HE2:sc= -9.82! C(o=-11!,f=-9.8!) USER MOD Set 2.1: A 5 CYS SG : rot 100:sc= 2.08! USER MOD Set 2.2: A 10 CYS SG : rot 150:sc= 0.123 USER MOD Set 2.3: A 12 ASN : amide:sc= -0.766 K(o=-5.8,f=-7.3) USER MOD Set 2.4: A 54 CYS SG : rot -76:sc= -3.83! USER MOD Set 2.5: A 57 HIS : no HD1:sc= -3.46! C(o=-5.8!,f=-22!) USER MOD Single : A 3 GLN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 4 SER OG : rot 86:sc= -0.0296 USER MOD Single : A 6 SER OG : rot -36:sc= 0.0767 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= 1.27 (180deg=0.86) USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= -1.06 (180deg=-1.72!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0524 USER MOD Single : A 33 CYS SG : rot 1:sc= -2.87! USER MOD Single : A 34 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00526) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc=-0.000808 (180deg=-0.0872) USER MOD Single : A 44 ASN : amide:sc= 0.3 K(o=0.3,f=-7.7!) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -0.108 (180deg=-0.487) USER MOD Single : A 48 THR OG1 : rot -150:sc= -0.0271 USER MOD Single : A 49 LYS NZ :NH3+ -137:sc= 1.13 (180deg=-0.627) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 110:sc= -4.69! USER MOD Single : A 52 SER OG : rot 180:sc= 0.014 USER MOD Single : A 55 SER OG : rot 94:sc= -2.95! USER MOD Single : A 59 THR OG1 : rot -90:sc= 0.098 USER MOD Single : A 62 SER OG : rot -111:sc= -1.66! USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= 1.03 (180deg=0.485) USER MOD Single : A 67 SER OG : rot -126:sc= -4.66! USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -144:sc= -0.0323 (180deg=-0.667) USER MOD Single : A 75 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.078) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -8.000 -4.146 -5.485 1.00 10.00 N ATOM 37 CA GLN A 3 -9.371 -3.908 -5.885 1.00 10.00 C ATOM 38 C GLN A 3 -9.619 -2.404 -5.976 1.00 10.00 C ATOM 39 O GLN A 3 -10.176 -1.923 -6.964 1.00 10.00 O ATOM 40 CB GLN A 3 -10.324 -4.580 -4.879 1.00 10.00 C ATOM 41 CG GLN A 3 -10.233 -6.109 -4.910 1.00 10.00 C ATOM 42 CD GLN A 3 -10.622 -6.791 -3.600 1.00 10.00 C ATOM 43 OE1 GLN A 3 -10.065 -7.834 -3.234 1.00 10.00 O ATOM 44 NE2 GLN A 3 -11.592 -6.228 -2.898 1.00 10.00 N ATOM 0 HA GLN A 3 -9.558 -4.342 -6.867 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -10.093 -4.227 -3.874 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -11.348 -4.276 -5.096 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -10.877 -6.483 -5.706 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -9.213 -6.395 -5.165 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -12.029 -5.368 -3.230 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -11.903 -6.654 -2.025 1.00 10.00 H new ATOM 53 N SER A 4 -9.192 -1.675 -4.943 1.00 10.00 N ATOM 54 CA SER A 4 -9.340 -0.222 -4.901 1.00 10.00 C ATOM 55 C SER A 4 -8.701 0.341 -3.630 1.00 10.00 C ATOM 56 O SER A 4 -8.409 -0.407 -2.690 1.00 10.00 O ATOM 57 CB SER A 4 -10.844 0.122 -4.940 1.00 10.00 C ATOM 58 OG SER A 4 -11.225 1.038 -3.920 1.00 10.00 O ATOM 0 H SER A 4 -8.738 -2.072 -4.120 1.00 10.00 H new ATOM 0 HA SER A 4 -8.837 0.224 -5.759 1.00 10.00 H new ATOM 0 HB2 SER A 4 -11.090 0.546 -5.914 1.00 10.00 H new ATOM 0 HB3 SER A 4 -11.425 -0.794 -4.835 1.00 10.00 H new ATOM 0 HG SER A 4 -11.073 1.955 -4.231 1.00 10.00 H new ATOM 64 N CYS A 5 -8.495 1.664 -3.606 1.00 10.00 N ATOM 65 CA CYS A 5 -7.822 2.321 -2.488 1.00 10.00 C ATOM 66 C CYS A 5 -8.833 2.466 -1.359 1.00 10.00 C ATOM 67 O CYS A 5 -10.019 2.177 -1.485 1.00 10.00 O ATOM 68 CB CYS A 5 -7.284 3.687 -2.938 1.00 10.00 C ATOM 69 SG CYS A 5 -6.475 3.650 -4.551 1.00 10.00 S ATOM 0 H CYS A 5 -8.787 2.297 -4.351 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.972 1.734 -2.140 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -8.108 4.400 -2.971 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.576 4.052 -2.194 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.295 4.090 -5.458 1.00 10.00 H new ATOM 74 N SER A 6 -8.261 2.959 -0.249 1.00 10.00 N ATOM 75 CA SER A 6 -8.951 3.203 1.006 1.00 10.00 C ATOM 76 C SER A 6 -9.728 4.522 0.956 1.00 10.00 C ATOM 77 O SER A 6 -10.343 4.925 1.940 1.00 10.00 O ATOM 78 CB SER A 6 -7.914 3.217 2.135 1.00 10.00 C ATOM 79 OG SER A 6 -8.521 3.057 3.404 1.00 10.00 O ATOM 0 H SER A 6 -7.272 3.204 -0.210 1.00 10.00 H new ATOM 0 HA SER A 6 -9.678 2.411 1.187 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.190 2.418 1.974 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.362 4.157 2.111 1.00 10.00 H new ATOM 0 HG SER A 6 -9.382 3.525 3.416 1.00 10.00 H new ATOM 85 N ALA A 7 -9.631 5.205 -0.188 1.00 10.00 N ATOM 86 CA ALA A 7 -10.324 6.477 -0.420 1.00 10.00 C ATOM 87 C ALA A 7 -11.850 6.367 -0.282 1.00 10.00 C ATOM 88 O ALA A 7 -12.379 5.529 0.442 1.00 10.00 O ATOM 89 CB ALA A 7 -9.970 7.001 -1.803 1.00 10.00 C ATOM 0 H ALA A 7 -9.070 4.892 -0.980 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.988 7.170 0.351 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.484 7.946 -1.977 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.893 7.157 -1.869 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.278 6.276 -2.557 1.00 10.00 H new ATOM 95 N TYR A 8 -12.567 7.201 -1.025 1.00 10.00 N ATOM 96 CA TYR A 8 -14.009 7.208 -0.955 1.00 10.00 C ATOM 97 C TYR A 8 -14.560 6.744 -2.297 1.00 10.00 C ATOM 98 O TYR A 8 -15.128 7.526 -3.058 1.00 10.00 O ATOM 99 CB TYR A 8 -14.528 8.618 -0.598 1.00 10.00 C ATOM 100 CG TYR A 8 -16.005 8.707 -0.234 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.912 7.716 -0.599 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.492 9.804 0.470 1.00 10.00 C ATOM 103 CE1 TYR A 8 -18.253 7.815 -0.272 1.00 10.00 C ATOM 104 CE2 TYR A 8 -17.830 9.907 0.800 1.00 10.00 C ATOM 105 CZ TYR A 8 -18.706 8.912 0.427 1.00 10.00 C ATOM 106 OH TYR A 8 -20.035 9.007 0.758 1.00 10.00 O ATOM 0 H TYR A 8 -12.169 7.876 -1.678 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.347 6.530 -0.171 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.943 8.999 0.239 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.341 9.279 -1.444 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.563 6.854 -1.148 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -15.812 10.590 0.764 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.941 7.036 -0.564 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -18.188 10.766 1.349 1.00 10.00 H new ATOM 0 HH TYR A 8 -20.191 9.840 1.251 1.00 10.00 H new ATOM 116 N GLY A 9 -14.347 5.468 -2.594 1.00 10.00 N ATOM 117 CA GLY A 9 -14.849 4.907 -3.827 1.00 10.00 C ATOM 118 C GLY A 9 -13.887 4.998 -4.999 1.00 10.00 C ATOM 119 O GLY A 9 -14.315 5.158 -6.145 1.00 10.00 O ATOM 0 H GLY A 9 -13.835 4.814 -2.001 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.099 3.859 -3.659 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.775 5.417 -4.093 1.00 10.00 H new ATOM 123 N CYS A 10 -12.589 4.882 -4.731 1.00 10.00 N ATOM 124 CA CYS A 10 -11.575 4.981 -5.768 1.00 10.00 C ATOM 125 C CYS A 10 -11.308 3.649 -6.462 1.00 10.00 C ATOM 126 O CYS A 10 -10.334 2.956 -6.157 1.00 10.00 O ATOM 127 CB CYS A 10 -10.272 5.545 -5.195 1.00 10.00 C ATOM 128 SG CYS A 10 -8.864 5.368 -6.306 1.00 10.00 S ATOM 0 H CYS A 10 -12.216 4.718 -3.796 1.00 10.00 H new ATOM 0 HA CYS A 10 -11.967 5.664 -6.522 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.413 6.601 -4.964 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.049 5.040 -4.255 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.025 6.340 -6.101 1.00 10.00 H new ATOM 133 N LYS A 11 -12.215 3.249 -7.339 1.00 10.00 N ATOM 134 CA LYS A 11 -12.025 2.035 -8.110 1.00 10.00 C ATOM 135 C LYS A 11 -10.992 2.295 -9.198 1.00 10.00 C ATOM 136 O LYS A 11 -11.300 2.170 -10.386 1.00 10.00 O ATOM 137 CB LYS A 11 -13.332 1.603 -8.749 1.00 10.00 C ATOM 138 CG LYS A 11 -14.142 0.633 -7.912 1.00 10.00 C ATOM 139 CD LYS A 11 -13.388 -0.664 -7.679 1.00 10.00 C ATOM 140 CE LYS A 11 -14.196 -1.629 -6.836 1.00 10.00 C ATOM 141 NZ LYS A 11 -14.682 -2.786 -7.634 1.00 10.00 N ATOM 0 H LYS A 11 -13.085 3.745 -7.533 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.681 1.241 -7.447 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.937 2.488 -8.946 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.117 1.142 -9.713 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -14.384 1.092 -6.953 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -15.087 0.421 -8.411 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -13.151 -1.126 -8.637 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -12.440 -0.452 -7.184 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -13.584 -1.989 -6.009 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -15.047 -1.106 -6.399 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -15.231 -3.424 -7.022 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -15.286 -2.444 -8.408 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -13.869 -3.300 -8.030 1.00 10.00 H new ATOM 155 N ASN A 12 -9.770 2.632 -8.819 1.00 10.00 N ATOM 156 CA ASN A 12 -8.727 2.915 -9.802 1.00 10.00 C ATOM 157 C ASN A 12 -7.900 1.677 -10.117 1.00 10.00 C ATOM 158 O ASN A 12 -6.722 1.816 -10.455 1.00 10.00 O ATOM 159 CB ASN A 12 -7.791 4.020 -9.317 1.00 10.00 C ATOM 160 CG ASN A 12 -8.320 5.409 -9.599 1.00 10.00 C ATOM 161 OD1 ASN A 12 -9.526 5.641 -9.619 1.00 10.00 O ATOM 162 ND2 ASN A 12 -7.414 6.342 -9.822 1.00 10.00 N ATOM 0 H ASN A 12 -9.473 2.717 -7.847 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.238 3.243 -10.707 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.632 3.909 -8.244 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.820 3.903 -9.797 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -7.706 7.299 -10.020 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -6.422 6.106 -9.796 1.00 10.00 H new ATOM 169 N ARG A 13 -8.500 0.492 -9.914 1.00 10.00 N ATOM 170 CA ARG A 13 -7.852 -0.820 -10.157 1.00 10.00 C ATOM 171 C ARG A 13 -6.734 -0.715 -11.190 1.00 10.00 C ATOM 172 O ARG A 13 -6.930 -0.088 -12.235 1.00 10.00 O ATOM 173 CB ARG A 13 -8.891 -1.841 -10.632 1.00 10.00 C ATOM 174 CG ARG A 13 -8.840 -3.176 -9.901 1.00 10.00 C ATOM 175 CD ARG A 13 -7.467 -3.824 -10.009 1.00 10.00 C ATOM 176 NE ARG A 13 -7.448 -5.167 -9.429 1.00 10.00 N ATOM 177 CZ ARG A 13 -6.375 -5.957 -9.387 1.00 10.00 C ATOM 178 NH1 ARG A 13 -5.235 -5.578 -9.954 1.00 10.00 N ATOM 179 NH2 ARG A 13 -6.446 -7.139 -8.784 1.00 10.00 N ATOM 0 H ARG A 13 -9.458 0.411 -9.573 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.414 -1.149 -9.214 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.886 -1.412 -10.511 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.748 -2.018 -11.698 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.090 -3.026 -8.851 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.593 -3.847 -10.315 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -7.173 -3.878 -11.057 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.731 -3.200 -9.503 1.00 10.00 H new ATOM 0 HE ARG A 13 -8.316 -5.524 -9.029 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -5.176 -4.676 -10.426 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -4.419 -6.189 -9.917 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -7.321 -7.441 -8.354 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -5.626 -7.745 -8.751 1.00 10.00 H new ATOM 193 N TYR A 14 -5.596 -1.374 -10.910 1.00 10.00 N ATOM 194 CA TYR A 14 -4.409 -1.308 -11.770 1.00 10.00 C ATOM 195 C TYR A 14 -4.757 -1.258 -13.243 1.00 10.00 C ATOM 196 O TYR A 14 -5.172 -2.245 -13.852 1.00 10.00 O ATOM 197 CB TYR A 14 -3.452 -2.474 -11.512 1.00 10.00 C ATOM 198 CG TYR A 14 -2.022 -2.029 -11.254 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.412 -1.042 -12.034 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.289 -2.576 -10.211 1.00 10.00 C ATOM 201 CE1 TYR A 14 -0.116 -0.629 -11.770 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.004 -2.169 -9.951 1.00 10.00 C ATOM 203 CZ TYR A 14 0.585 -1.197 -10.729 1.00 10.00 C ATOM 204 OH TYR A 14 1.873 -0.788 -10.464 1.00 10.00 O ATOM 0 H TYR A 14 -5.477 -1.963 -10.086 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.911 -0.375 -11.507 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.808 -3.045 -10.655 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.468 -3.145 -12.371 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.958 -0.596 -12.852 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.739 -3.336 -9.590 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.343 0.136 -12.379 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.558 -2.614 -9.138 1.00 10.00 H new ATOM 0 HH TYR A 14 2.224 -1.287 -9.697 1.00 10.00 H new ATOM 214 N ASP A 15 -4.565 -0.080 -13.784 1.00 10.00 N ATOM 215 CA ASP A 15 -4.812 0.205 -15.171 1.00 10.00 C ATOM 216 C ASP A 15 -3.578 0.927 -15.663 1.00 10.00 C ATOM 217 O ASP A 15 -3.319 2.067 -15.295 1.00 10.00 O ATOM 218 CB ASP A 15 -6.070 1.060 -15.328 1.00 10.00 C ATOM 219 CG ASP A 15 -6.255 1.596 -16.726 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.959 0.864 -17.691 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.712 2.750 -16.864 1.00 10.00 O ATOM 0 H ASP A 15 -4.225 0.724 -13.257 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.991 -0.701 -15.751 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.942 0.465 -15.056 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -6.023 1.895 -14.629 1.00 10.00 H new ATOM 226 N LYS A 16 -2.816 0.216 -16.466 1.00 10.00 N ATOM 227 CA LYS A 16 -1.587 0.724 -17.059 1.00 10.00 C ATOM 228 C LYS A 16 -1.853 1.957 -17.925 1.00 10.00 C ATOM 229 O LYS A 16 -0.953 2.747 -18.217 1.00 10.00 O ATOM 230 CB LYS A 16 -0.978 -0.383 -17.909 1.00 10.00 C ATOM 231 CG LYS A 16 -1.175 -0.163 -19.404 1.00 10.00 C ATOM 232 CD LYS A 16 -1.250 -1.466 -20.169 1.00 10.00 C ATOM 233 CE LYS A 16 -1.858 -1.255 -21.545 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.346 -1.283 -21.522 1.00 10.00 N ATOM 0 H LYS A 16 -3.031 -0.745 -16.732 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.903 1.023 -16.265 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.089 -0.453 -17.695 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.423 -1.337 -17.626 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.090 0.406 -19.568 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.352 0.438 -19.793 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.251 -1.891 -20.270 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -1.847 -2.186 -19.610 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.522 -0.298 -21.944 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.494 -2.028 -22.222 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.692 -1.931 -22.258 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.673 -1.610 -20.590 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.714 -0.327 -21.702 1.00 10.00 H new ATOM 248 N ASP A 17 -3.109 2.115 -18.307 1.00 10.00 N ATOM 249 CA ASP A 17 -3.524 3.235 -19.130 1.00 10.00 C ATOM 250 C ASP A 17 -3.540 4.497 -18.291 1.00 10.00 C ATOM 251 O ASP A 17 -3.396 5.610 -18.797 1.00 10.00 O ATOM 252 CB ASP A 17 -4.907 2.988 -19.703 1.00 10.00 C ATOM 253 CG ASP A 17 -4.857 2.317 -21.061 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.396 1.159 -21.142 1.00 10.00 O ATOM 255 OD2 ASP A 17 -5.272 2.947 -22.053 1.00 10.00 O ATOM 0 H ASP A 17 -3.863 1.475 -18.057 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.819 3.348 -19.954 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.477 2.365 -19.014 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.437 3.937 -19.789 1.00 10.00 H new ATOM 260 N LYS A 18 -3.695 4.293 -16.992 1.00 10.00 N ATOM 261 CA LYS A 18 -3.729 5.379 -16.028 1.00 10.00 C ATOM 262 C LYS A 18 -2.377 5.445 -15.316 1.00 10.00 C ATOM 263 O LYS A 18 -1.823 4.422 -14.908 1.00 10.00 O ATOM 264 CB LYS A 18 -4.902 5.188 -15.050 1.00 10.00 C ATOM 265 CG LYS A 18 -4.529 4.675 -13.664 1.00 10.00 C ATOM 266 CD LYS A 18 -5.723 4.077 -12.913 1.00 10.00 C ATOM 267 CE LYS A 18 -7.048 4.726 -13.301 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.749 3.986 -14.387 1.00 10.00 N ATOM 0 H LYS A 18 -3.801 3.367 -16.577 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.896 6.332 -16.531 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.417 6.142 -14.938 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.613 4.493 -15.496 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.749 3.919 -13.759 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.110 5.494 -13.079 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.775 3.007 -13.114 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.567 4.192 -11.840 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.694 4.777 -12.425 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.866 5.751 -13.623 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.300 4.654 -14.963 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.049 3.506 -14.988 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.388 3.280 -13.969 1.00 10.00 H new ATOM 282 N PRO A 19 -1.808 6.642 -15.189 1.00 10.00 N ATOM 283 CA PRO A 19 -0.496 6.800 -14.569 1.00 10.00 C ATOM 284 C PRO A 19 -0.476 6.735 -13.038 1.00 10.00 C ATOM 285 O PRO A 19 -0.363 7.766 -12.374 1.00 10.00 O ATOM 286 CB PRO A 19 -0.069 8.190 -15.041 1.00 10.00 C ATOM 287 CG PRO A 19 -1.336 8.937 -15.283 1.00 10.00 C ATOM 288 CD PRO A 19 -2.374 7.919 -15.662 1.00 10.00 C ATOM 0 HA PRO A 19 0.161 5.979 -14.856 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.543 8.689 -14.289 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.530 8.129 -15.950 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.639 9.484 -14.390 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.206 9.671 -16.078 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.333 8.131 -15.189 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -2.546 7.905 -16.738 1.00 10.00 H new ATOM 296 N VAL A 20 -0.594 5.535 -12.473 1.00 10.00 N ATOM 297 CA VAL A 20 -0.532 5.389 -11.021 1.00 10.00 C ATOM 298 C VAL A 20 0.195 4.102 -10.605 1.00 10.00 C ATOM 299 O VAL A 20 0.117 3.073 -11.282 1.00 10.00 O ATOM 300 CB VAL A 20 -1.934 5.416 -10.318 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.818 6.564 -10.793 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.668 4.098 -10.466 1.00 10.00 C ATOM 0 H VAL A 20 -0.731 4.665 -12.987 1.00 10.00 H new ATOM 0 HA VAL A 20 0.029 6.262 -10.688 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.724 5.581 -9.261 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.774 6.528 -10.270 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.325 7.513 -10.584 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -2.988 6.472 -11.866 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.634 4.161 -9.965 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.822 3.884 -11.524 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.077 3.300 -10.016 1.00 10.00 H new ATOM 312 N SER A 21 0.933 4.204 -9.502 1.00 10.00 N ATOM 313 CA SER A 21 1.674 3.084 -8.914 1.00 10.00 C ATOM 314 C SER A 21 0.928 2.594 -7.674 1.00 10.00 C ATOM 315 O SER A 21 -0.002 3.270 -7.217 1.00 10.00 O ATOM 316 CB SER A 21 3.087 3.538 -8.549 1.00 10.00 C ATOM 317 OG SER A 21 3.161 4.958 -8.493 1.00 10.00 O ATOM 0 H SER A 21 1.036 5.076 -8.983 1.00 10.00 H new ATOM 0 HA SER A 21 1.750 2.267 -9.631 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.372 3.116 -7.585 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.797 3.161 -9.285 1.00 10.00 H new ATOM 0 HG SER A 21 4.073 5.229 -8.256 1.00 10.00 H new ATOM 323 N PHE A 22 1.314 1.451 -7.104 1.00 10.00 N ATOM 324 CA PHE A 22 0.561 0.947 -5.962 1.00 10.00 C ATOM 325 C PHE A 22 1.295 0.796 -4.617 1.00 10.00 C ATOM 326 O PHE A 22 2.050 -0.152 -4.431 1.00 10.00 O ATOM 327 CB PHE A 22 -0.170 -0.349 -6.328 1.00 10.00 C ATOM 328 CG PHE A 22 -1.635 -0.132 -6.588 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.454 0.376 -5.595 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.190 -0.423 -7.824 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.799 0.589 -5.826 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.537 -0.211 -8.063 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.342 0.296 -7.063 1.00 10.00 C ATOM 0 H PHE A 22 2.107 0.881 -7.399 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.139 1.758 -5.760 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.292 -0.785 -7.214 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.051 -1.070 -5.519 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.036 0.609 -4.627 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.564 -0.820 -8.610 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.426 0.984 -5.041 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -3.957 -0.442 -9.031 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.393 0.463 -7.246 1.00 10.00 H new ATOM 343 N HIS A 23 1.103 1.698 -3.689 1.00 10.00 N ATOM 344 CA HIS A 23 1.911 1.695 -2.460 1.00 10.00 C ATOM 345 C HIS A 23 1.192 1.261 -1.230 1.00 10.00 C ATOM 346 O HIS A 23 0.002 1.333 -1.151 1.00 10.00 O ATOM 347 CB HIS A 23 2.381 3.106 -2.161 1.00 10.00 C ATOM 348 CG HIS A 23 2.047 4.071 -3.226 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.781 4.627 -4.207 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.762 4.464 -3.434 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.914 5.335 -4.998 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.697 5.206 -4.490 1.00 10.00 N flip ATOM 0 H HIS A 23 0.407 2.442 -3.743 1.00 10.00 H new ATOM 0 HA HIS A 23 2.711 0.985 -2.668 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.934 3.440 -1.225 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.461 3.098 -2.013 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.789 4.539 -4.337 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.078 4.196 -2.810 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.177 5.899 -5.881 1.00 10.00 H new ATOM 361 N LYS A 24 1.949 0.861 -0.246 1.00 10.00 N ATOM 362 CA LYS A 24 1.333 0.475 0.997 1.00 10.00 C ATOM 363 C LYS A 24 1.318 1.640 1.984 1.00 10.00 C ATOM 364 O LYS A 24 1.998 2.640 1.745 1.00 10.00 O ATOM 365 CB LYS A 24 2.064 -0.715 1.617 1.00 10.00 C ATOM 366 CG LYS A 24 1.390 -2.059 1.370 1.00 10.00 C ATOM 367 CD LYS A 24 2.377 -3.217 1.488 1.00 10.00 C ATOM 368 CE LYS A 24 3.051 -3.256 2.857 1.00 10.00 C ATOM 369 NZ LYS A 24 4.355 -3.978 2.813 1.00 10.00 N ATOM 0 H LYS A 24 2.966 0.794 -0.275 1.00 10.00 H new ATOM 0 HA LYS A 24 0.305 0.186 0.780 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.078 -0.751 1.220 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.148 -0.555 2.692 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.580 -2.197 2.087 1.00 10.00 H new ATOM 0 HG3 LYS A 24 0.941 -2.064 0.377 1.00 10.00 H new ATOM 0 HD2 LYS A 24 1.855 -4.158 1.314 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.137 -3.126 0.712 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.211 -2.238 3.212 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.390 -3.743 3.574 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.781 -3.983 3.762 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.199 -4.957 2.498 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.995 -3.498 2.148 1.00 10.00 H new ATOM 383 N PHE A 25 0.547 1.555 3.054 1.00 10.00 N ATOM 384 CA PHE A 25 0.506 2.645 4.032 1.00 10.00 C ATOM 385 C PHE A 25 1.901 2.916 4.595 1.00 10.00 C ATOM 386 O PHE A 25 2.764 2.033 4.580 1.00 10.00 O ATOM 387 CB PHE A 25 -0.405 2.280 5.195 1.00 10.00 C ATOM 388 CG PHE A 25 -1.765 2.940 5.194 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.671 2.704 4.186 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.146 3.760 6.242 1.00 10.00 C ATOM 391 CE1 PHE A 25 -3.930 3.281 4.208 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.399 4.332 6.278 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.295 4.093 5.257 1.00 10.00 C ATOM 0 H PHE A 25 -0.053 0.759 3.272 1.00 10.00 H new ATOM 0 HA PHE A 25 0.130 3.531 3.521 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.546 1.199 5.197 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.103 2.537 6.125 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.396 2.059 3.365 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.450 3.955 7.044 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.625 3.094 3.402 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.679 4.967 7.105 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.278 4.541 5.281 1.00 10.00 H new ATOM 403 N PRO A 26 2.143 4.130 5.126 1.00 10.00 N ATOM 404 CA PRO A 26 3.433 4.487 5.732 1.00 10.00 C ATOM 405 C PRO A 26 3.482 3.877 7.127 1.00 10.00 C ATOM 406 O PRO A 26 3.476 4.553 8.152 1.00 10.00 O ATOM 407 CB PRO A 26 3.303 6.005 5.864 1.00 10.00 C ATOM 408 CG PRO A 26 1.863 6.190 6.167 1.00 10.00 C ATOM 409 CD PRO A 26 1.174 5.248 5.227 1.00 10.00 C ATOM 0 HA PRO A 26 4.311 4.158 5.176 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.937 6.397 6.660 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.591 6.516 4.946 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.640 5.952 7.207 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.549 7.221 6.002 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.212 4.917 5.617 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.984 5.709 4.258 1.00 10.00 H new ATOM 417 N LEU A 27 3.532 2.553 7.100 1.00 10.00 N ATOM 418 CA LEU A 27 3.526 1.693 8.265 1.00 10.00 C ATOM 419 C LEU A 27 4.487 2.076 9.354 1.00 10.00 C ATOM 420 O LEU A 27 4.242 1.996 10.557 1.00 10.00 O ATOM 421 CB LEU A 27 3.772 0.250 7.838 1.00 10.00 C ATOM 422 CG LEU A 27 2.497 -0.542 7.556 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.802 -2.020 7.350 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.515 -0.349 8.699 1.00 10.00 C ATOM 0 H LEU A 27 3.580 2.030 6.225 1.00 10.00 H new ATOM 0 HA LEU A 27 2.537 1.813 8.707 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.394 0.248 6.943 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.337 -0.258 8.620 1.00 10.00 H new ATOM 0 HG LEU A 27 2.050 -0.169 6.634 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.875 -2.558 7.151 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.479 -2.137 6.504 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.271 -2.423 8.248 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.605 -0.915 8.497 1.00 10.00 H new ATOM 0 HD22 LEU A 27 1.963 -0.703 9.627 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.271 0.709 8.794 1.00 10.00 H new ATOM 436 N THR A 28 5.609 2.496 8.811 1.00 10.00 N ATOM 437 CA THR A 28 6.804 2.862 9.529 1.00 10.00 C ATOM 438 C THR A 28 6.827 4.326 9.971 1.00 10.00 C ATOM 439 O THR A 28 7.778 4.801 10.592 1.00 10.00 O ATOM 440 CB THR A 28 7.999 2.619 8.587 1.00 10.00 C ATOM 441 OG1 THR A 28 8.041 3.638 7.575 1.00 10.00 O ATOM 442 CG2 THR A 28 7.870 1.270 7.903 1.00 10.00 C ATOM 0 H THR A 28 5.714 2.596 7.801 1.00 10.00 H new ATOM 0 HA THR A 28 6.847 2.259 10.436 1.00 10.00 H new ATOM 0 HB THR A 28 8.911 2.643 9.183 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.804 3.478 6.981 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.722 1.115 7.241 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.846 0.481 8.655 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.949 1.244 7.321 1.00 10.00 H new ATOM 450 N ARG A 29 5.752 5.024 9.629 1.00 10.00 N ATOM 451 CA ARG A 29 5.534 6.393 10.046 1.00 10.00 C ATOM 452 C ARG A 29 4.122 6.436 10.599 1.00 10.00 C ATOM 453 O ARG A 29 3.278 7.166 10.103 1.00 10.00 O ATOM 454 CB ARG A 29 5.682 7.345 8.851 1.00 10.00 C ATOM 455 CG ARG A 29 6.612 8.518 9.100 1.00 10.00 C ATOM 456 CD ARG A 29 5.945 9.553 9.976 1.00 10.00 C ATOM 457 NE ARG A 29 6.548 9.629 11.307 1.00 10.00 N ATOM 458 CZ ARG A 29 7.761 10.114 11.572 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.553 10.552 10.600 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.187 10.152 12.824 1.00 10.00 N ATOM 0 H ARG A 29 5.003 4.647 9.049 1.00 10.00 H new ATOM 0 HA ARG A 29 6.262 6.709 10.793 1.00 10.00 H new ATOM 0 HB2 ARG A 29 6.050 6.780 7.994 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.697 7.727 8.582 1.00 10.00 H new ATOM 0 HG2 ARG A 29 7.528 8.168 9.576 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.899 8.969 8.150 1.00 10.00 H new ATOM 0 HD2 ARG A 29 6.010 10.529 9.495 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.886 9.315 10.073 1.00 10.00 H new ATOM 0 HE ARG A 29 5.997 9.284 12.093 1.00 10.00 H new ATOM 0 HH11 ARG A 29 8.236 10.521 9.631 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.478 10.920 10.823 1.00 10.00 H new ATOM 0 HH21 ARG A 29 7.589 9.812 13.577 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.114 10.521 13.036 1.00 10.00 H new ATOM 474 N PRO A 30 3.873 5.651 11.663 1.00 10.00 N ATOM 475 CA PRO A 30 2.549 5.486 12.256 1.00 10.00 C ATOM 476 C PRO A 30 1.802 6.780 12.546 1.00 10.00 C ATOM 477 O PRO A 30 0.648 6.910 12.175 1.00 10.00 O ATOM 478 CB PRO A 30 2.799 4.749 13.562 1.00 10.00 C ATOM 479 CG PRO A 30 4.273 4.760 13.768 1.00 10.00 C ATOM 480 CD PRO A 30 4.878 4.875 12.407 1.00 10.00 C ATOM 0 HA PRO A 30 1.910 4.959 11.547 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.286 5.239 14.390 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.420 3.728 13.512 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.572 5.596 14.400 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.604 3.849 14.267 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.841 5.384 12.435 1.00 10.00 H new ATOM 0 HD3 PRO A 30 5.047 3.897 11.957 1.00 10.00 H new ATOM 488 N SER A 31 2.434 7.719 13.236 1.00 10.00 N ATOM 489 CA SER A 31 1.787 8.985 13.548 1.00 10.00 C ATOM 490 C SER A 31 1.223 9.599 12.272 1.00 10.00 C ATOM 491 O SER A 31 0.038 9.925 12.190 1.00 10.00 O ATOM 492 CB SER A 31 2.800 9.916 14.208 1.00 10.00 C ATOM 493 OG SER A 31 3.723 9.170 14.990 1.00 10.00 O ATOM 0 H SER A 31 3.387 7.629 13.588 1.00 10.00 H new ATOM 0 HA SER A 31 0.961 8.825 14.241 1.00 10.00 H new ATOM 0 HB2 SER A 31 3.334 10.482 13.445 1.00 10.00 H new ATOM 0 HB3 SER A 31 2.282 10.640 14.837 1.00 10.00 H new ATOM 0 HG SER A 31 4.368 9.780 15.406 1.00 10.00 H new ATOM 499 N LEU A 32 2.046 9.636 11.246 1.00 10.00 N ATOM 500 CA LEU A 32 1.661 10.187 9.968 1.00 10.00 C ATOM 501 C LEU A 32 0.673 9.245 9.307 1.00 10.00 C ATOM 502 O LEU A 32 -0.253 9.668 8.620 1.00 10.00 O ATOM 503 CB LEU A 32 2.934 10.366 9.139 1.00 10.00 C ATOM 504 CG LEU A 32 2.814 10.990 7.759 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.663 9.906 6.721 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.671 11.976 7.699 1.00 10.00 C ATOM 0 H LEU A 32 3.003 9.284 11.277 1.00 10.00 H new ATOM 0 HA LEU A 32 1.172 11.156 10.069 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.626 10.975 9.720 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.395 9.385 9.021 1.00 10.00 H new ATOM 0 HG LEU A 32 3.726 11.549 7.547 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.577 10.358 5.733 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.536 9.253 6.747 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.767 9.322 6.932 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.612 12.405 6.699 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.737 11.464 7.930 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.838 12.771 8.425 1.00 10.00 H new ATOM 518 N CYS A 33 0.828 7.967 9.603 1.00 10.00 N ATOM 519 CA CYS A 33 -0.029 6.944 9.057 1.00 10.00 C ATOM 520 C CYS A 33 -1.422 7.198 9.571 1.00 10.00 C ATOM 521 O CYS A 33 -2.408 7.051 8.858 1.00 10.00 O ATOM 522 CB CYS A 33 0.440 5.584 9.566 1.00 10.00 C ATOM 523 SG CYS A 33 -0.288 4.152 8.747 1.00 10.00 S ATOM 0 H CYS A 33 1.553 7.615 10.229 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.005 6.958 7.967 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.523 5.530 9.458 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.222 5.520 10.632 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.110 4.552 7.823 1.00 10.00 H new ATOM 529 N LYS A 34 -1.484 7.631 10.816 1.00 10.00 N ATOM 530 CA LYS A 34 -2.713 7.862 11.503 1.00 10.00 C ATOM 531 C LYS A 34 -3.502 9.035 10.957 1.00 10.00 C ATOM 532 O LYS A 34 -4.726 9.053 11.089 1.00 10.00 O ATOM 533 CB LYS A 34 -2.347 8.040 12.973 1.00 10.00 C ATOM 534 CG LYS A 34 -3.270 8.944 13.765 1.00 10.00 C ATOM 535 CD LYS A 34 -2.456 9.910 14.610 1.00 10.00 C ATOM 536 CE LYS A 34 -3.184 10.306 15.889 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.162 9.225 16.911 1.00 10.00 N ATOM 0 H LYS A 34 -0.657 7.832 11.378 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.386 7.017 11.362 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.331 7.059 13.448 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.335 8.440 13.033 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -3.918 9.499 13.087 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -3.917 8.345 14.405 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.500 9.452 14.864 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.236 10.804 14.027 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -2.724 11.203 16.303 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.218 10.558 15.652 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.002 9.305 17.519 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -3.165 8.299 16.437 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -2.304 9.314 17.492 1.00 10.00 H new ATOM 551 N GLU A 35 -2.868 10.017 10.334 1.00 10.00 N ATOM 552 CA GLU A 35 -3.704 11.089 9.818 1.00 10.00 C ATOM 553 C GLU A 35 -4.406 10.594 8.596 1.00 10.00 C ATOM 554 O GLU A 35 -5.473 11.102 8.247 1.00 10.00 O ATOM 555 CB GLU A 35 -2.997 12.375 9.489 1.00 10.00 C ATOM 556 CG GLU A 35 -1.507 12.247 9.274 1.00 10.00 C ATOM 557 CD GLU A 35 -0.762 13.523 9.608 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.074 14.579 9.020 1.00 10.00 O ATOM 559 OE2 GLU A 35 0.136 13.477 10.476 1.00 10.00 O ATOM 0 H GLU A 35 -1.863 10.097 10.181 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.387 11.343 10.628 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.444 12.798 8.589 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.173 13.086 10.297 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.123 11.434 9.890 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.315 11.979 8.235 1.00 10.00 H new ATOM 566 N TRP A 36 -3.831 9.566 7.971 1.00 10.00 N ATOM 567 CA TRP A 36 -4.452 8.993 6.800 1.00 10.00 C ATOM 568 C TRP A 36 -5.840 8.571 7.238 1.00 10.00 C ATOM 569 O TRP A 36 -6.779 8.671 6.448 1.00 10.00 O ATOM 570 CB TRP A 36 -3.663 7.796 6.245 1.00 10.00 C ATOM 571 CG TRP A 36 -2.333 8.153 5.638 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.449 9.097 6.091 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.727 7.571 4.466 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.346 9.150 5.266 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.489 8.220 4.276 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.102 6.568 3.552 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.365 7.909 3.224 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.249 6.266 2.509 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.028 6.933 2.353 1.00 10.00 C ATOM 0 H TRP A 36 -2.955 9.128 8.256 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.482 9.719 5.988 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.500 7.080 7.050 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.270 7.295 5.491 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.595 9.711 6.968 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.448 9.781 5.377 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.040 6.044 3.665 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.307 8.422 3.100 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.529 5.501 1.800 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.616 6.670 1.527 1.00 10.00 H new ATOM 590 N GLU A 37 -5.991 8.219 8.522 1.00 10.00 N ATOM 591 CA GLU A 37 -7.271 7.776 9.025 1.00 10.00 C ATOM 592 C GLU A 37 -8.334 8.822 8.738 1.00 10.00 C ATOM 593 O GLU A 37 -9.414 8.570 8.208 1.00 10.00 O ATOM 594 CB GLU A 37 -7.238 7.417 10.517 1.00 10.00 C ATOM 595 CG GLU A 37 -6.187 6.384 10.878 1.00 10.00 C ATOM 596 CD GLU A 37 -6.474 5.006 10.326 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.471 4.388 10.749 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.681 4.519 9.492 1.00 10.00 O ATOM 0 H GLU A 37 -5.243 8.236 9.215 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.522 6.855 8.499 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.056 8.323 11.095 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.218 7.042 10.812 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.218 6.720 10.508 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.109 6.322 11.963 1.00 10.00 H new ATOM 605 N ALA A 38 -7.911 10.042 9.129 1.00 10.00 N ATOM 606 CA ALA A 38 -8.678 11.273 9.016 1.00 10.00 C ATOM 607 C ALA A 38 -9.131 11.538 7.599 1.00 10.00 C ATOM 608 O ALA A 38 -10.233 12.044 7.380 1.00 10.00 O ATOM 609 CB ALA A 38 -7.843 12.444 9.520 1.00 10.00 C ATOM 0 H ALA A 38 -6.991 10.189 9.545 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.573 11.160 9.627 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.419 13.365 9.435 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.577 12.278 10.564 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.935 12.527 8.923 1.00 10.00 H new ATOM 615 N ALA A 39 -8.323 11.189 6.641 1.00 10.00 N ATOM 616 CA ALA A 39 -8.682 11.434 5.267 1.00 10.00 C ATOM 617 C ALA A 39 -9.510 10.284 4.723 1.00 10.00 C ATOM 618 O ALA A 39 -10.206 10.424 3.716 1.00 10.00 O ATOM 619 CB ALA A 39 -7.421 11.671 4.454 1.00 10.00 C ATOM 0 H ALA A 39 -7.419 10.738 6.779 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.301 12.329 5.198 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.688 11.857 3.414 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -6.889 12.535 4.852 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -6.780 10.791 4.512 1.00 10.00 H new ATOM 625 N VAL A 40 -9.480 9.166 5.435 1.00 10.00 N ATOM 626 CA VAL A 40 -10.313 8.020 5.105 1.00 10.00 C ATOM 627 C VAL A 40 -11.628 8.139 5.896 1.00 10.00 C ATOM 628 O VAL A 40 -12.092 7.195 6.529 1.00 10.00 O ATOM 629 CB VAL A 40 -9.625 6.691 5.456 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.431 5.497 4.960 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.216 6.640 4.892 1.00 10.00 C ATOM 0 H VAL A 40 -8.883 9.029 6.250 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.497 8.019 4.031 1.00 10.00 H new ATOM 0 HB VAL A 40 -9.568 6.635 6.543 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -9.915 4.574 5.225 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.418 5.507 5.422 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.537 5.555 3.877 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -7.753 5.689 5.155 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.255 6.737 3.807 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -7.628 7.458 5.308 1.00 10.00 H new ATOM 641 N ARG A 41 -12.196 9.341 5.874 1.00 10.00 N ATOM 642 CA ARG A 41 -13.441 9.670 6.598 1.00 10.00 C ATOM 643 C ARG A 41 -14.670 8.862 6.136 1.00 10.00 C ATOM 644 O ARG A 41 -15.803 9.195 6.482 1.00 10.00 O ATOM 645 CB ARG A 41 -13.730 11.177 6.498 1.00 10.00 C ATOM 646 CG ARG A 41 -14.182 11.656 5.118 1.00 10.00 C ATOM 647 CD ARG A 41 -13.032 12.232 4.299 1.00 10.00 C ATOM 648 NE ARG A 41 -13.486 13.264 3.369 1.00 10.00 N ATOM 649 CZ ARG A 41 -13.005 13.424 2.134 1.00 10.00 C ATOM 650 NH1 ARG A 41 -12.067 12.599 1.671 1.00 10.00 N ATOM 651 NH2 ARG A 41 -13.458 14.418 1.371 1.00 10.00 N ATOM 0 H ARG A 41 -11.810 10.127 5.352 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.268 9.387 7.636 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.500 11.433 7.226 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.830 11.724 6.780 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -14.630 10.823 4.576 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.957 12.414 5.235 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.284 12.653 4.971 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -12.546 11.431 3.742 1.00 10.00 H new ATOM 0 HE ARG A 41 -14.217 13.902 3.683 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -11.716 11.844 2.260 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -11.700 12.722 0.727 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -14.170 15.054 1.731 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -13.093 14.543 0.427 1.00 10.00 H new ATOM 665 N ARG A 42 -14.450 7.807 5.371 1.00 10.00 N ATOM 666 CA ARG A 42 -15.535 6.967 4.887 1.00 10.00 C ATOM 667 C ARG A 42 -16.099 6.125 6.034 1.00 10.00 C ATOM 668 O ARG A 42 -15.334 5.517 6.780 1.00 10.00 O ATOM 669 CB ARG A 42 -15.008 6.056 3.779 1.00 10.00 C ATOM 670 CG ARG A 42 -16.071 5.236 3.068 1.00 10.00 C ATOM 671 CD ARG A 42 -17.058 6.124 2.335 1.00 10.00 C ATOM 672 NE ARG A 42 -18.431 5.922 2.796 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.155 6.850 3.423 1.00 10.00 C ATOM 674 NH1 ARG A 42 -18.642 8.054 3.662 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.397 6.580 3.804 1.00 10.00 N ATOM 0 H ARG A 42 -13.522 7.509 5.069 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.333 7.596 4.492 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -14.488 6.668 3.042 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -14.271 5.376 4.207 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -15.596 4.557 2.360 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -16.603 4.620 3.793 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -16.779 7.168 2.476 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.002 5.921 1.266 1.00 10.00 H new ATOM 0 HE ARG A 42 -18.862 5.013 2.627 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -17.691 8.271 3.365 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -19.200 8.760 4.142 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -20.799 5.661 3.617 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -20.949 7.291 4.283 1.00 10.00 H new ATOM 689 N LYS A 43 -17.428 6.106 6.178 1.00 10.00 N ATOM 690 CA LYS A 43 -18.086 5.327 7.238 1.00 10.00 C ATOM 691 C LYS A 43 -17.612 3.884 7.200 1.00 10.00 C ATOM 692 O LYS A 43 -17.154 3.331 8.203 1.00 10.00 O ATOM 693 CB LYS A 43 -19.613 5.363 7.082 1.00 10.00 C ATOM 694 CG LYS A 43 -20.308 4.097 7.584 1.00 10.00 C ATOM 695 CD LYS A 43 -21.816 4.192 7.474 1.00 10.00 C ATOM 696 CE LYS A 43 -22.482 2.851 7.751 1.00 10.00 C ATOM 697 NZ LYS A 43 -22.137 2.317 9.096 1.00 10.00 N ATOM 0 H LYS A 43 -18.071 6.620 5.576 1.00 10.00 H new ATOM 0 HA LYS A 43 -17.820 5.775 8.195 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.005 6.223 7.625 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -19.859 5.510 6.030 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -19.957 3.239 7.010 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.031 3.920 8.623 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.187 4.936 8.179 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.088 4.535 6.476 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -23.564 2.962 7.673 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.179 2.133 6.989 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -22.678 1.447 9.273 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -21.119 2.106 9.135 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -22.372 3.025 9.821 1.00 10.00 H new ATOM 711 N ASN A 44 -17.741 3.278 6.033 1.00 10.00 N ATOM 712 CA ASN A 44 -17.310 1.917 5.846 1.00 10.00 C ATOM 713 C ASN A 44 -15.829 1.927 5.515 1.00 10.00 C ATOM 714 O ASN A 44 -15.441 1.677 4.375 1.00 10.00 O ATOM 715 CB ASN A 44 -18.108 1.205 4.734 1.00 10.00 C ATOM 716 CG ASN A 44 -18.956 2.143 3.890 1.00 10.00 C ATOM 717 OD1 ASN A 44 -18.464 3.127 3.336 1.00 10.00 O ATOM 718 ND2 ASN A 44 -20.242 1.844 3.790 1.00 10.00 N ATOM 0 H ASN A 44 -18.143 3.714 5.203 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.491 1.360 6.765 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.413 0.675 4.083 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.755 0.455 5.188 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -20.862 2.438 3.239 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.612 1.020 4.264 1.00 10.00 H new ATOM 725 N PHE A 45 -15.025 2.315 6.509 1.00 10.00 N ATOM 726 CA PHE A 45 -13.571 2.383 6.367 1.00 10.00 C ATOM 727 C PHE A 45 -13.036 1.133 5.668 1.00 10.00 C ATOM 728 O PHE A 45 -13.280 0.003 6.097 1.00 10.00 O ATOM 729 CB PHE A 45 -12.892 2.578 7.745 1.00 10.00 C ATOM 730 CG PHE A 45 -11.418 2.950 7.685 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.510 2.121 7.056 1.00 10.00 C ATOM 732 CD2 PHE A 45 -10.942 4.126 8.256 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.172 2.441 6.981 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.601 4.454 8.189 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.714 3.611 7.547 1.00 10.00 C ATOM 0 H PHE A 45 -15.364 2.590 7.431 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.330 3.247 5.747 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.426 3.356 8.290 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -12.996 1.657 8.319 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.857 1.200 6.612 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.629 4.791 8.758 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.484 1.776 6.480 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.246 5.370 8.639 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.667 3.868 7.489 1.00 10.00 H new ATOM 745 N LYS A 46 -12.356 1.386 4.556 1.00 10.00 N ATOM 746 CA LYS A 46 -11.709 0.373 3.727 1.00 10.00 C ATOM 747 C LYS A 46 -10.664 -0.417 4.545 1.00 10.00 C ATOM 748 O LYS A 46 -10.651 -0.319 5.765 1.00 10.00 O ATOM 749 CB LYS A 46 -11.086 1.108 2.541 1.00 10.00 C ATOM 750 CG LYS A 46 -11.684 0.711 1.203 1.00 10.00 C ATOM 751 CD LYS A 46 -12.343 1.897 0.522 1.00 10.00 C ATOM 752 CE LYS A 46 -13.028 1.486 -0.766 1.00 10.00 C ATOM 753 NZ LYS A 46 -14.048 0.430 -0.532 1.00 10.00 N ATOM 0 H LYS A 46 -12.235 2.332 4.194 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.424 -0.367 3.369 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.211 2.182 2.682 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.014 0.912 2.524 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.904 0.306 0.559 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.418 -0.081 1.351 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -13.072 2.346 1.196 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.593 2.659 0.310 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.502 2.356 -1.220 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.284 1.123 -1.475 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.696 0.387 -1.344 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.576 -0.489 -0.417 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.586 0.652 0.330 1.00 10.00 H new ATOM 767 N PRO A 47 -9.828 -1.278 3.914 1.00 10.00 N ATOM 768 CA PRO A 47 -8.783 -2.037 4.628 1.00 10.00 C ATOM 769 C PRO A 47 -7.996 -1.160 5.606 1.00 10.00 C ATOM 770 O PRO A 47 -8.117 0.059 5.645 1.00 10.00 O ATOM 771 CB PRO A 47 -7.934 -2.587 3.495 1.00 10.00 C ATOM 772 CG PRO A 47 -8.894 -2.758 2.373 1.00 10.00 C ATOM 773 CD PRO A 47 -9.826 -1.586 2.478 1.00 10.00 C ATOM 0 HA PRO A 47 -9.179 -2.824 5.270 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.130 -1.901 3.230 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.468 -3.534 3.769 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.380 -2.769 1.412 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.434 -3.701 2.456 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.476 -0.740 1.886 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.825 -1.834 2.119 1.00 10.00 H new ATOM 781 N THR A 48 -7.095 -1.810 6.326 1.00 10.00 N ATOM 782 CA THR A 48 -6.148 -1.134 7.192 1.00 10.00 C ATOM 783 C THR A 48 -5.035 -0.739 6.261 1.00 10.00 C ATOM 784 O THR A 48 -5.184 -0.624 5.052 1.00 10.00 O ATOM 785 CB THR A 48 -5.671 -2.073 8.288 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.832 -3.116 7.746 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.888 -2.689 8.903 1.00 10.00 C ATOM 0 H THR A 48 -7.002 -2.826 6.324 1.00 10.00 H new ATOM 0 HA THR A 48 -6.569 -0.273 7.711 1.00 10.00 H new ATOM 0 HB THR A 48 -5.086 -1.520 9.022 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.922 -3.925 8.292 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.588 -3.372 9.697 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.522 -1.906 9.318 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.442 -3.238 8.142 1.00 10.00 H new ATOM 795 N LYS A 49 -3.884 -0.607 6.881 1.00 10.00 N ATOM 796 CA LYS A 49 -2.691 -0.117 6.238 1.00 10.00 C ATOM 797 C LYS A 49 -1.827 -1.215 5.619 1.00 10.00 C ATOM 798 O LYS A 49 -0.789 -0.919 5.034 1.00 10.00 O ATOM 799 CB LYS A 49 -1.857 0.628 7.288 1.00 10.00 C ATOM 800 CG LYS A 49 -1.985 0.106 8.717 1.00 10.00 C ATOM 801 CD LYS A 49 -2.529 1.182 9.649 1.00 10.00 C ATOM 802 CE LYS A 49 -4.048 1.287 9.563 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.590 2.365 10.434 1.00 10.00 N ATOM 0 H LYS A 49 -3.751 -0.842 7.865 1.00 10.00 H new ATOM 0 HA LYS A 49 -3.008 0.529 5.420 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.808 0.581 6.995 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.144 1.679 7.276 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.646 -0.761 8.733 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.011 -0.229 9.073 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.237 0.956 10.675 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -2.083 2.143 9.395 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.339 1.477 8.530 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.493 0.334 9.849 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.440 2.021 10.925 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.872 2.639 11.135 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.837 3.190 9.852 1.00 10.00 H new ATOM 817 N TYR A 50 -2.214 -2.478 5.763 1.00 10.00 N ATOM 818 CA TYR A 50 -1.474 -3.519 5.085 1.00 10.00 C ATOM 819 C TYR A 50 -1.935 -3.462 3.644 1.00 10.00 C ATOM 820 O TYR A 50 -1.145 -3.807 2.770 1.00 10.00 O ATOM 821 CB TYR A 50 -1.783 -4.868 5.692 1.00 10.00 C ATOM 822 CG TYR A 50 -1.248 -5.087 7.086 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.084 -5.410 7.306 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.101 -5.051 8.175 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.543 -5.705 8.568 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.645 -5.320 9.446 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.325 -5.657 9.634 1.00 10.00 C ATOM 828 OH TYR A 50 0.118 -6.015 10.878 1.00 10.00 O ATOM 0 H TYR A 50 -3.007 -2.792 6.323 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.397 -3.376 5.171 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.865 -5.000 5.711 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.379 -5.642 5.040 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.771 -5.430 6.473 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.143 -4.808 8.025 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.578 -5.973 8.721 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.319 -5.267 10.289 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.614 -5.926 11.524 1.00 10.00 H new ATOM 838 N SER A 51 -3.161 -3.095 3.344 1.00 10.00 N ATOM 839 CA SER A 51 -3.516 -2.942 1.931 1.00 10.00 C ATOM 840 C SER A 51 -2.671 -1.819 1.317 1.00 10.00 C ATOM 841 O SER A 51 -1.947 -1.095 2.006 1.00 10.00 O ATOM 842 CB SER A 51 -4.994 -2.662 1.779 1.00 10.00 C ATOM 843 OG SER A 51 -5.401 -1.691 2.696 1.00 10.00 O ATOM 0 H SER A 51 -3.905 -2.902 4.015 1.00 10.00 H new ATOM 0 HA SER A 51 -3.305 -3.871 1.401 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.204 -2.324 0.764 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.562 -3.579 1.934 1.00 10.00 H new ATOM 0 HG SER A 51 -5.613 -0.861 2.221 1.00 10.00 H new ATOM 849 N SER A 52 -2.806 -1.673 0.003 1.00 10.00 N ATOM 850 CA SER A 52 -2.061 -0.689 -0.752 1.00 10.00 C ATOM 851 C SER A 52 -2.991 0.447 -1.236 1.00 10.00 C ATOM 852 O SER A 52 -4.214 0.326 -1.227 1.00 10.00 O ATOM 853 CB SER A 52 -1.367 -1.424 -1.914 1.00 10.00 C ATOM 854 OG SER A 52 -2.038 -2.666 -2.203 1.00 10.00 O ATOM 0 H SER A 52 -3.438 -2.238 -0.564 1.00 10.00 H new ATOM 0 HA SER A 52 -1.304 -0.209 -0.132 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.364 -0.791 -2.801 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.326 -1.618 -1.658 1.00 10.00 H new ATOM 0 HG SER A 52 -1.584 -3.118 -2.945 1.00 10.00 H new ATOM 860 N ILE A 53 -2.375 1.555 -1.647 1.00 10.00 N ATOM 861 CA ILE A 53 -3.060 2.770 -2.073 1.00 10.00 C ATOM 862 C ILE A 53 -2.426 3.220 -3.404 1.00 10.00 C ATOM 863 O ILE A 53 -1.293 2.843 -3.677 1.00 10.00 O ATOM 864 CB ILE A 53 -2.937 3.900 -0.990 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.695 3.555 0.308 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.455 5.226 -1.517 1.00 10.00 C ATOM 867 CD1 ILE A 53 -3.042 2.476 1.147 1.00 10.00 C ATOM 0 H ILE A 53 -1.359 1.632 -1.693 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.124 2.572 -2.204 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.874 3.982 -0.762 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.790 4.459 0.910 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.705 3.236 0.051 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.356 5.988 -0.744 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -2.877 5.520 -2.393 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.504 5.123 -1.793 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.641 2.297 2.040 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.972 1.556 0.566 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -2.042 2.797 1.439 1.00 10.00 H new ATOM 879 N CYS A 54 -3.119 3.998 -4.240 1.00 10.00 N ATOM 880 CA CYS A 54 -2.520 4.454 -5.490 1.00 10.00 C ATOM 881 C CYS A 54 -2.145 5.958 -5.436 1.00 10.00 C ATOM 882 O CYS A 54 -2.719 6.746 -4.682 1.00 10.00 O ATOM 883 CB CYS A 54 -3.433 4.100 -6.673 1.00 10.00 C ATOM 884 SG CYS A 54 -4.905 5.113 -6.826 1.00 10.00 S ATOM 0 H CYS A 54 -4.074 4.318 -4.077 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.578 3.927 -5.640 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.857 4.182 -7.594 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.736 3.057 -6.579 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.776 4.751 -5.932 1.00 10.00 H new ATOM 889 N SER A 55 -1.153 6.294 -6.254 1.00 10.00 N ATOM 890 CA SER A 55 -0.485 7.617 -6.329 1.00 10.00 C ATOM 891 C SER A 55 -1.355 8.877 -6.377 1.00 10.00 C ATOM 892 O SER A 55 -1.031 9.862 -5.712 1.00 10.00 O ATOM 893 CB SER A 55 0.444 7.588 -7.539 1.00 10.00 C ATOM 894 OG SER A 55 -0.156 6.888 -8.598 1.00 10.00 O ATOM 0 H SER A 55 -0.764 5.628 -6.921 1.00 10.00 H new ATOM 0 HA SER A 55 0.022 7.726 -5.370 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.676 8.606 -7.852 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.388 7.114 -7.270 1.00 10.00 H new ATOM 0 HG SER A 55 -0.620 7.520 -9.187 1.00 10.00 H new ATOM 900 N GLU A 56 -2.449 8.846 -7.106 1.00 10.00 N ATOM 901 CA GLU A 56 -3.317 10.014 -7.297 1.00 10.00 C ATOM 902 C GLU A 56 -3.816 10.657 -6.002 1.00 10.00 C ATOM 903 O GLU A 56 -4.299 11.786 -6.004 1.00 10.00 O ATOM 904 CB GLU A 56 -4.527 9.574 -8.106 1.00 10.00 C ATOM 905 CG GLU A 56 -4.941 8.162 -7.753 1.00 10.00 C ATOM 906 CD GLU A 56 -6.418 8.013 -7.458 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.215 8.862 -7.897 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.779 7.019 -6.773 1.00 10.00 O ATOM 0 H GLU A 56 -2.774 8.010 -7.591 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.714 10.769 -7.802 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.358 10.255 -7.922 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.297 9.632 -9.170 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.676 7.499 -8.577 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.372 7.833 -6.884 1.00 10.00 H new ATOM 915 N HIS A 57 -3.698 9.930 -4.907 1.00 10.00 N ATOM 916 CA HIS A 57 -4.193 10.398 -3.613 1.00 10.00 C ATOM 917 C HIS A 57 -3.218 11.293 -2.844 1.00 10.00 C ATOM 918 O HIS A 57 -3.634 11.982 -1.909 1.00 10.00 O ATOM 919 CB HIS A 57 -4.562 9.203 -2.746 1.00 10.00 C ATOM 920 CG HIS A 57 -5.669 8.381 -3.314 1.00 10.00 C ATOM 921 ND1 HIS A 57 -6.946 8.851 -3.538 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.670 7.084 -3.699 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.672 7.836 -4.033 1.00 10.00 C ATOM 924 NE2 HIS A 57 -6.937 6.745 -4.154 1.00 10.00 N ATOM 0 H HIS A 57 -3.263 9.008 -4.882 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.063 11.016 -3.835 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.682 8.573 -2.614 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.852 9.557 -1.757 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.820 6.418 -3.659 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.717 7.903 -4.297 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.239 5.838 -4.509 1.00 10.00 H new ATOM 932 N PHE A 58 -1.948 11.300 -3.211 1.00 10.00 N ATOM 933 CA PHE A 58 -0.979 12.122 -2.492 1.00 10.00 C ATOM 934 C PHE A 58 -0.256 13.023 -3.447 1.00 10.00 C ATOM 935 O PHE A 58 -0.425 12.930 -4.662 1.00 10.00 O ATOM 936 CB PHE A 58 0.050 11.286 -1.721 1.00 10.00 C ATOM 937 CG PHE A 58 -0.146 9.821 -1.821 1.00 10.00 C ATOM 938 CD1 PHE A 58 -0.934 9.147 -0.912 1.00 10.00 C ATOM 939 CD2 PHE A 58 0.473 9.117 -2.827 1.00 10.00 C ATOM 940 CE1 PHE A 58 -1.105 7.786 -1.009 1.00 10.00 C ATOM 941 CE2 PHE A 58 0.311 7.763 -2.931 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.481 7.091 -2.020 1.00 10.00 C ATOM 0 H PHE A 58 -1.565 10.759 -3.986 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.545 12.708 -1.768 1.00 10.00 H new ATOM 0 HB2 PHE A 58 1.047 11.532 -2.088 1.00 10.00 H new ATOM 0 HB3 PHE A 58 0.017 11.573 -0.670 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -1.421 9.693 -0.117 1.00 10.00 H new ATOM 0 HD2 PHE A 58 1.093 9.638 -3.542 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -1.726 7.265 -0.295 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.802 7.219 -3.725 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.610 6.022 -2.101 1.00 10.00 H new ATOM 952 N THR A 59 0.556 13.893 -2.896 1.00 10.00 N ATOM 953 CA THR A 59 1.316 14.791 -3.698 1.00 10.00 C ATOM 954 C THR A 59 2.520 14.058 -4.238 1.00 10.00 C ATOM 955 O THR A 59 3.113 13.237 -3.539 1.00 10.00 O ATOM 956 CB THR A 59 1.761 15.986 -2.858 1.00 10.00 C ATOM 957 OG1 THR A 59 1.950 15.568 -1.497 1.00 10.00 O ATOM 958 CG2 THR A 59 0.711 17.071 -2.929 1.00 10.00 C ATOM 0 H THR A 59 0.700 13.990 -1.891 1.00 10.00 H new ATOM 0 HA THR A 59 0.708 15.156 -4.526 1.00 10.00 H new ATOM 0 HB THR A 59 2.702 16.378 -3.244 1.00 10.00 H new ATOM 0 HG1 THR A 59 1.110 15.674 -1.003 1.00 10.00 H new ATOM 0 HG21 THR A 59 1.028 17.924 -2.329 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.581 17.384 -3.965 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.234 16.688 -2.544 1.00 10.00 H new ATOM 966 N PRO A 60 2.867 14.308 -5.498 1.00 10.00 N ATOM 967 CA PRO A 60 4.018 13.687 -6.152 1.00 10.00 C ATOM 968 C PRO A 60 5.280 13.771 -5.299 1.00 10.00 C ATOM 969 O PRO A 60 6.094 12.850 -5.260 1.00 10.00 O ATOM 970 CB PRO A 60 4.189 14.528 -7.432 1.00 10.00 C ATOM 971 CG PRO A 60 3.263 15.691 -7.275 1.00 10.00 C ATOM 972 CD PRO A 60 2.155 15.204 -6.412 1.00 10.00 C ATOM 0 HA PRO A 60 3.861 12.624 -6.334 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.220 14.861 -7.547 1.00 10.00 H new ATOM 0 HB3 PRO A 60 3.941 13.946 -8.320 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.773 16.539 -6.818 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.888 16.027 -8.242 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.658 16.018 -5.884 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.389 14.681 -6.985 1.00 10.00 H new ATOM 980 N ASP A 61 5.363 14.864 -4.559 1.00 10.00 N ATOM 981 CA ASP A 61 6.476 15.102 -3.641 1.00 10.00 C ATOM 982 C ASP A 61 6.552 13.962 -2.629 1.00 10.00 C ATOM 983 O ASP A 61 7.610 13.394 -2.366 1.00 10.00 O ATOM 984 CB ASP A 61 6.293 16.421 -2.876 1.00 10.00 C ATOM 985 CG ASP A 61 5.591 17.493 -3.678 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.372 17.362 -3.918 1.00 10.00 O ATOM 987 OD2 ASP A 61 6.245 18.483 -4.057 1.00 10.00 O ATOM 0 H ASP A 61 4.668 15.610 -4.574 1.00 10.00 H new ATOM 0 HA ASP A 61 7.392 15.158 -4.229 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.724 16.228 -1.967 1.00 10.00 H new ATOM 0 HB3 ASP A 61 7.271 16.791 -2.568 1.00 10.00 H new ATOM 992 N SER A 62 5.389 13.644 -2.082 1.00 10.00 N ATOM 993 CA SER A 62 5.214 12.660 -1.019 1.00 10.00 C ATOM 994 C SER A 62 4.893 11.263 -1.506 1.00 10.00 C ATOM 995 O SER A 62 4.611 10.377 -0.706 1.00 10.00 O ATOM 996 CB SER A 62 4.036 13.100 -0.171 1.00 10.00 C ATOM 997 OG SER A 62 4.123 12.570 1.139 1.00 10.00 O ATOM 0 H SER A 62 4.512 14.076 -2.373 1.00 10.00 H new ATOM 0 HA SER A 62 6.162 12.614 -0.483 1.00 10.00 H new ATOM 0 HB2 SER A 62 4.004 14.189 -0.125 1.00 10.00 H new ATOM 0 HB3 SER A 62 3.106 12.774 -0.637 1.00 10.00 H new ATOM 0 HG SER A 62 3.417 11.903 1.270 1.00 10.00 H new ATOM 1003 N PHE A 63 4.910 11.107 -2.814 1.00 10.00 N ATOM 1004 CA PHE A 63 4.620 9.825 -3.465 1.00 10.00 C ATOM 1005 C PHE A 63 5.103 8.601 -2.671 1.00 10.00 C ATOM 1006 O PHE A 63 4.301 7.711 -2.372 1.00 10.00 O ATOM 1007 CB PHE A 63 5.221 9.770 -4.872 1.00 10.00 C ATOM 1008 CG PHE A 63 4.257 10.135 -5.966 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.894 9.963 -5.794 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.713 10.652 -7.167 1.00 10.00 C ATOM 1011 CE1 PHE A 63 2.008 10.298 -6.783 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.826 10.992 -8.170 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.470 10.816 -7.977 1.00 10.00 C ATOM 0 H PHE A 63 5.125 11.861 -3.466 1.00 10.00 H new ATOM 0 HA PHE A 63 3.532 9.775 -3.515 1.00 10.00 H new ATOM 0 HB2 PHE A 63 6.077 10.444 -4.917 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.598 8.764 -5.055 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.523 9.558 -4.864 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.773 10.791 -7.321 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.948 10.157 -6.629 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.192 11.395 -9.103 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.773 11.083 -8.758 1.00 10.00 H new ATOM 1023 N LYS A 64 6.399 8.550 -2.335 1.00 10.00 N ATOM 1024 CA LYS A 64 6.953 7.400 -1.598 1.00 10.00 C ATOM 1025 C LYS A 64 8.425 7.599 -1.236 1.00 10.00 C ATOM 1026 O LYS A 64 8.818 8.676 -0.808 1.00 10.00 O ATOM 1027 CB LYS A 64 6.774 6.106 -2.400 1.00 10.00 C ATOM 1028 CG LYS A 64 7.150 6.229 -3.871 1.00 10.00 C ATOM 1029 CD LYS A 64 6.762 4.990 -4.660 1.00 10.00 C ATOM 1030 CE LYS A 64 7.083 5.137 -6.134 1.00 10.00 C ATOM 1031 NZ LYS A 64 8.513 4.858 -6.410 1.00 10.00 N ATOM 0 H LYS A 64 7.077 9.279 -2.557 1.00 10.00 H new ATOM 0 HA LYS A 64 6.395 7.321 -0.665 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.380 5.323 -1.945 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.734 5.787 -2.327 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.657 7.102 -4.300 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.224 6.394 -3.959 1.00 10.00 H new ATOM 0 HD2 LYS A 64 7.288 4.124 -4.258 1.00 10.00 H new ATOM 0 HD3 LYS A 64 5.696 4.800 -4.538 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.460 4.455 -6.713 1.00 10.00 H new ATOM 0 HE3 LYS A 64 6.839 6.148 -6.461 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 8.793 5.324 -7.297 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 9.095 5.223 -5.629 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 8.656 3.832 -6.498 1.00 10.00 H new ATOM 1045 N ARG A 65 9.236 6.559 -1.443 1.00 10.00 N ATOM 1046 CA ARG A 65 10.666 6.589 -1.110 1.00 10.00 C ATOM 1047 C ARG A 65 11.419 7.688 -1.860 1.00 10.00 C ATOM 1048 O ARG A 65 12.543 8.035 -1.495 1.00 10.00 O ATOM 1049 CB ARG A 65 11.327 5.228 -1.387 1.00 10.00 C ATOM 1050 CG ARG A 65 10.688 4.433 -2.518 1.00 10.00 C ATOM 1051 CD ARG A 65 10.880 2.939 -2.325 1.00 10.00 C ATOM 1052 NE ARG A 65 12.215 2.494 -2.736 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.832 1.418 -2.234 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.247 0.686 -1.288 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.036 1.072 -2.685 1.00 10.00 N ATOM 0 H ARG A 65 8.924 5.675 -1.844 1.00 10.00 H new ATOM 0 HA ARG A 65 10.727 6.810 -0.044 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.379 5.391 -1.623 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.294 4.630 -0.476 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.623 4.661 -2.568 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.124 4.737 -3.470 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.722 2.687 -1.276 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.127 2.400 -2.900 1.00 10.00 H new ATOM 0 HE ARG A 65 12.703 3.038 -3.448 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.323 0.944 -0.942 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.723 -0.133 -0.910 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.487 1.627 -3.412 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.507 0.252 -2.303 1.00 10.00 H new ATOM 1069 N GLU A 66 10.795 8.242 -2.891 1.00 10.00 N ATOM 1070 CA GLU A 66 11.405 9.297 -3.693 1.00 10.00 C ATOM 1071 C GLU A 66 11.188 10.659 -3.032 1.00 10.00 C ATOM 1072 O GLU A 66 11.527 11.699 -3.599 1.00 10.00 O ATOM 1073 CB GLU A 66 10.865 9.288 -5.137 1.00 10.00 C ATOM 1074 CG GLU A 66 11.434 8.160 -5.993 1.00 10.00 C ATOM 1075 CD GLU A 66 10.996 6.784 -5.537 1.00 10.00 C ATOM 1076 OE1 GLU A 66 9.857 6.649 -5.046 1.00 10.00 O ATOM 1077 OE2 GLU A 66 11.784 5.828 -5.670 1.00 10.00 O ATOM 0 H GLU A 66 9.858 7.976 -3.194 1.00 10.00 H new ATOM 0 HA GLU A 66 12.477 9.107 -3.746 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.779 9.200 -5.110 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.096 10.243 -5.609 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.126 8.308 -7.028 1.00 10.00 H new ATOM 0 HG3 GLU A 66 12.523 8.212 -5.974 1.00 10.00 H new ATOM 1084 N SER A 67 10.608 10.633 -1.828 1.00 10.00 N ATOM 1085 CA SER A 67 10.334 11.841 -1.061 1.00 10.00 C ATOM 1086 C SER A 67 11.641 12.493 -0.575 1.00 10.00 C ATOM 1087 O SER A 67 12.343 13.152 -1.344 1.00 10.00 O ATOM 1088 CB SER A 67 9.394 11.487 0.115 1.00 10.00 C ATOM 1089 OG SER A 67 9.534 12.357 1.230 1.00 10.00 O ATOM 0 H SER A 67 10.318 9.773 -1.363 1.00 10.00 H new ATOM 0 HA SER A 67 9.838 12.574 -1.696 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.361 11.517 -0.233 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.593 10.464 0.434 1.00 10.00 H new ATOM 0 HG SER A 67 9.707 11.829 2.037 1.00 10.00 H new ATOM 1095 N ASN A 68 11.956 12.316 0.701 1.00 10.00 N ATOM 1096 CA ASN A 68 13.153 12.896 1.285 1.00 10.00 C ATOM 1097 C ASN A 68 14.264 11.873 1.433 1.00 10.00 C ATOM 1098 O ASN A 68 15.295 11.961 0.770 1.00 10.00 O ATOM 1099 CB ASN A 68 12.845 13.510 2.655 1.00 10.00 C ATOM 1100 CG ASN A 68 13.214 14.984 2.741 1.00 10.00 C ATOM 1101 OD1 ASN A 68 12.394 15.858 2.458 1.00 10.00 O ATOM 1102 ND2 ASN A 68 14.447 15.277 3.139 1.00 10.00 N ATOM 0 H ASN A 68 11.393 11.771 1.354 1.00 10.00 H new ATOM 0 HA ASN A 68 13.492 13.675 0.602 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.783 13.394 2.869 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.387 12.960 3.424 1.00 10.00 H new ATOM 0 HD21 ASN A 68 14.740 16.251 3.218 1.00 10.00 H new ATOM 0 HD22 ASN A 68 15.101 14.528 3.366 1.00 10.00 H new ATOM 1109 N ASN A 69 14.060 10.907 2.323 1.00 10.00 N ATOM 1110 CA ASN A 69 15.075 9.889 2.574 1.00 10.00 C ATOM 1111 C ASN A 69 14.699 8.541 1.973 1.00 10.00 C ATOM 1112 O ASN A 69 15.301 8.108 0.992 1.00 10.00 O ATOM 1113 CB ASN A 69 15.330 9.733 4.079 1.00 10.00 C ATOM 1114 CG ASN A 69 16.218 8.539 4.403 1.00 10.00 C ATOM 1115 OD1 ASN A 69 17.242 8.314 3.757 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.819 7.759 5.398 1.00 10.00 N ATOM 0 H ASN A 69 13.210 10.807 2.878 1.00 10.00 H new ATOM 0 HA ASN A 69 15.989 10.229 2.086 1.00 10.00 H new ATOM 0 HB2 ASN A 69 15.796 10.641 4.461 1.00 10.00 H new ATOM 0 HB3 ASN A 69 14.377 9.623 4.596 1.00 10.00 H new ATOM 0 HD21 ASN A 69 16.367 6.937 5.653 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.964 7.981 5.908 1.00 10.00 H new ATOM 1123 N LYS A 70 13.703 7.877 2.543 1.00 10.00 N ATOM 1124 CA LYS A 70 13.310 6.567 2.048 1.00 10.00 C ATOM 1125 C LYS A 70 11.801 6.340 2.135 1.00 10.00 C ATOM 1126 O LYS A 70 11.316 5.271 1.780 1.00 10.00 O ATOM 1127 CB LYS A 70 14.063 5.481 2.826 1.00 10.00 C ATOM 1128 CG LYS A 70 14.543 4.307 1.974 1.00 10.00 C ATOM 1129 CD LYS A 70 15.586 4.740 0.951 1.00 10.00 C ATOM 1130 CE LYS A 70 16.900 5.136 1.613 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.771 5.918 0.698 1.00 10.00 N ATOM 0 H LYS A 70 13.160 8.218 3.336 1.00 10.00 H new ATOM 0 HA LYS A 70 13.574 6.516 0.992 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.925 5.934 3.315 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.413 5.100 3.614 1.00 10.00 H new ATOM 0 HG2 LYS A 70 14.965 3.537 2.620 1.00 10.00 H new ATOM 0 HG3 LYS A 70 13.693 3.860 1.459 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.764 3.927 0.248 1.00 10.00 H new ATOM 0 HD3 LYS A 70 15.202 5.581 0.374 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.693 5.724 2.507 1.00 10.00 H new ATOM 0 HE3 LYS A 70 17.427 4.239 1.937 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.654 6.167 1.188 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.991 5.348 -0.144 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.279 6.787 0.409 1.00 10.00 H new ATOM 1145 N LEU A 71 11.062 7.335 2.601 1.00 10.00 N ATOM 1146 CA LEU A 71 9.612 7.210 2.716 1.00 10.00 C ATOM 1147 C LEU A 71 8.951 8.538 2.345 1.00 10.00 C ATOM 1148 O LEU A 71 9.631 9.394 1.812 1.00 10.00 O ATOM 1149 CB LEU A 71 9.240 6.770 4.136 1.00 10.00 C ATOM 1150 CG LEU A 71 8.141 5.705 4.223 1.00 10.00 C ATOM 1151 CD1 LEU A 71 7.039 6.160 5.159 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.578 5.393 2.841 1.00 10.00 C ATOM 0 H LEU A 71 11.437 8.234 2.905 1.00 10.00 H new ATOM 0 HA LEU A 71 9.249 6.449 2.025 1.00 10.00 H new ATOM 0 HB2 LEU A 71 10.135 6.387 4.626 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.919 7.647 4.698 1.00 10.00 H new ATOM 0 HG LEU A 71 8.580 4.791 4.623 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.266 5.393 5.211 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.452 6.326 6.154 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.605 7.088 4.787 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.800 4.635 2.928 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.155 6.299 2.407 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.376 5.022 2.198 1.00 10.00 H new ATOM 1164 N LEU A 72 7.649 8.717 2.685 1.00 10.00 N ATOM 1165 CA LEU A 72 6.885 9.930 2.302 1.00 10.00 C ATOM 1166 C LEU A 72 7.479 11.153 2.979 1.00 10.00 C ATOM 1167 O LEU A 72 8.496 11.096 3.672 1.00 10.00 O ATOM 1168 CB LEU A 72 5.398 9.787 2.634 1.00 10.00 C ATOM 1169 CG LEU A 72 4.734 8.519 2.079 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.664 7.442 3.136 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.342 8.806 1.551 1.00 10.00 C ATOM 0 H LEU A 72 7.109 8.039 3.222 1.00 10.00 H new ATOM 0 HA LEU A 72 6.962 10.054 1.222 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.279 9.798 3.717 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.868 10.657 2.246 1.00 10.00 H new ATOM 0 HG LEU A 72 5.351 8.168 1.252 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.190 6.553 2.719 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.672 7.193 3.469 1.00 10.00 H new ATOM 0 HD13 LEU A 72 4.080 7.801 3.983 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.902 7.886 1.166 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.720 9.196 2.357 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.401 9.543 0.750 1.00 10.00 H new ATOM 1183 N LYS A 73 6.781 12.276 2.782 1.00 10.00 N ATOM 1184 CA LYS A 73 7.088 13.494 3.503 1.00 10.00 C ATOM 1185 C LYS A 73 6.251 13.396 4.768 1.00 10.00 C ATOM 1186 O LYS A 73 5.039 13.516 4.678 1.00 10.00 O ATOM 1187 CB LYS A 73 6.738 14.826 2.803 1.00 10.00 C ATOM 1188 CG LYS A 73 6.476 14.764 1.311 1.00 10.00 C ATOM 1189 CD LYS A 73 7.712 14.407 0.508 1.00 10.00 C ATOM 1190 CE LYS A 73 8.813 15.456 0.585 1.00 10.00 C ATOM 1191 NZ LYS A 73 8.336 16.810 0.198 1.00 10.00 N ATOM 0 H LYS A 73 6.002 12.357 2.128 1.00 10.00 H new ATOM 0 HA LYS A 73 8.169 13.541 3.633 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.854 15.242 3.286 1.00 10.00 H new ATOM 0 HB3 LYS A 73 7.555 15.526 2.976 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.696 14.028 1.115 1.00 10.00 H new ATOM 0 HG3 LYS A 73 6.096 15.728 0.974 1.00 10.00 H new ATOM 0 HD2 LYS A 73 8.104 13.454 0.864 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.429 14.265 -0.535 1.00 10.00 H new ATOM 0 HE2 LYS A 73 9.208 15.490 1.600 1.00 10.00 H new ATOM 0 HE3 LYS A 73 9.636 15.164 -0.068 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 9.091 17.311 -0.312 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 7.502 16.722 -0.417 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 8.081 17.345 1.052 1.00 10.00 H new ATOM 1205 N GLU A 74 6.858 13.080 5.883 1.00 10.00 N ATOM 1206 CA GLU A 74 6.138 12.902 7.163 1.00 10.00 C ATOM 1207 C GLU A 74 5.159 14.021 7.562 1.00 10.00 C ATOM 1208 O GLU A 74 4.442 13.906 8.557 1.00 10.00 O ATOM 1209 CB GLU A 74 7.141 12.723 8.280 1.00 10.00 C ATOM 1210 CG GLU A 74 7.657 14.020 8.876 1.00 10.00 C ATOM 1211 CD GLU A 74 8.883 14.552 8.167 1.00 10.00 C ATOM 1212 OE1 GLU A 74 8.730 15.309 7.185 1.00 10.00 O ATOM 1213 OE2 GLU A 74 10.010 14.224 8.589 1.00 10.00 O ATOM 0 H GLU A 74 7.865 12.934 5.952 1.00 10.00 H new ATOM 0 HA GLU A 74 5.517 12.021 7.003 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.682 12.131 9.072 1.00 10.00 H new ATOM 0 HB3 GLU A 74 7.987 12.149 7.903 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.867 14.770 8.837 1.00 10.00 H new ATOM 0 HG3 GLU A 74 7.893 13.861 9.928 1.00 10.00 H new ATOM 1220 N ASN A 75 5.145 15.083 6.792 1.00 10.00 N ATOM 1221 CA ASN A 75 4.199 16.181 6.995 1.00 10.00 C ATOM 1222 C ASN A 75 3.159 16.212 5.865 1.00 10.00 C ATOM 1223 O ASN A 75 2.524 17.235 5.603 1.00 10.00 O ATOM 1224 CB ASN A 75 4.925 17.507 7.053 1.00 10.00 C ATOM 1225 CG ASN A 75 4.971 18.074 8.457 1.00 10.00 C ATOM 1226 OD1 ASN A 75 4.865 19.285 8.656 1.00 10.00 O ATOM 1227 ND2 ASN A 75 5.148 17.201 9.439 1.00 10.00 N ATOM 0 H ASN A 75 5.782 15.221 6.007 1.00 10.00 H new ATOM 0 HA ASN A 75 3.689 16.015 7.944 1.00 10.00 H new ATOM 0 HB2 ASN A 75 5.942 17.379 6.681 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.431 18.219 6.392 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.201 17.524 10.405 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.231 16.206 9.228 1.00 10.00 H new ATOM 1234 N ALA A 76 3.019 15.083 5.191 1.00 10.00 N ATOM 1235 CA ALA A 76 2.071 14.904 4.083 1.00 10.00 C ATOM 1236 C ALA A 76 1.437 13.528 4.188 1.00 10.00 C ATOM 1237 O ALA A 76 2.044 12.528 4.569 1.00 10.00 O ATOM 1238 CB ALA A 76 2.791 15.021 2.743 1.00 10.00 C ATOM 0 H ALA A 76 3.566 14.246 5.395 1.00 10.00 H new ATOM 0 HA ALA A 76 1.306 15.678 4.143 1.00 10.00 H new ATOM 0 HB1 ALA A 76 2.075 14.886 1.932 1.00 10.00 H new ATOM 0 HB2 ALA A 76 3.250 16.006 2.661 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.563 14.254 2.677 1.00 10.00 H new ATOM 1244 N VAL A 77 0.150 13.567 3.828 1.00 10.00 N ATOM 1245 CA VAL A 77 -0.778 12.446 3.842 1.00 10.00 C ATOM 1246 C VAL A 77 -1.809 12.656 2.718 1.00 10.00 C ATOM 1247 O VAL A 77 -2.110 13.804 2.382 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.495 12.387 5.235 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.619 13.778 5.844 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -2.875 11.745 5.162 1.00 10.00 C ATOM 0 H VAL A 77 -0.289 14.429 3.503 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.249 11.507 3.681 1.00 10.00 H new ATOM 0 HB VAL A 77 -0.868 11.761 5.870 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.120 13.709 6.810 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.626 14.205 5.980 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.200 14.416 5.178 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.323 11.732 6.156 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.508 12.320 4.486 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -2.782 10.724 4.792 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.315 11.561 2.092 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.328 11.620 1.028 1.00 10.00 C ATOM 1262 C PRO A 78 -4.397 12.608 1.442 1.00 10.00 C ATOM 1263 O PRO A 78 -5.063 12.462 2.465 1.00 10.00 O ATOM 1264 CB PRO A 78 -3.871 10.186 0.942 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.168 9.411 2.003 1.00 10.00 C ATOM 1266 CD PRO A 78 -1.943 10.195 2.390 1.00 10.00 C ATOM 0 HA PRO A 78 -2.947 11.950 0.061 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -4.950 10.168 1.097 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.683 9.757 -0.042 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -3.818 9.263 2.865 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -2.892 8.422 1.638 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.699 10.065 3.444 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.068 9.883 1.819 1.00 10.00 H new ATOM 1274 N THR A 79 -4.543 13.610 0.603 1.00 10.00 N ATOM 1275 CA THR A 79 -5.533 14.643 0.769 1.00 10.00 C ATOM 1276 C THR A 79 -6.434 14.688 -0.477 1.00 10.00 C ATOM 1277 O THR A 79 -7.501 15.304 -0.466 1.00 10.00 O ATOM 1278 CB THR A 79 -4.865 16.012 1.038 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.558 16.693 2.089 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.821 16.896 -0.206 1.00 10.00 C ATOM 0 H THR A 79 -3.964 13.729 -0.228 1.00 10.00 H new ATOM 0 HA THR A 79 -6.150 14.415 1.638 1.00 10.00 H new ATOM 0 HB THR A 79 -3.835 15.815 1.333 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.130 17.558 2.256 1.00 10.00 H new ATOM 0 HG21 THR A 79 -4.342 17.844 0.038 1.00 10.00 H new ATOM 0 HG22 THR A 79 -4.253 16.394 -0.989 1.00 10.00 H new ATOM 0 HG23 THR A 79 -5.836 17.082 -0.557 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.018 13.980 -1.533 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.734 13.984 -2.807 1.00 10.00 C ATOM 1290 C ILE A 80 -7.746 12.833 -2.873 1.00 10.00 C ATOM 1291 O ILE A 80 -8.337 12.585 -3.921 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.764 13.823 -4.007 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.388 14.439 -3.699 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.365 14.436 -5.266 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.303 15.928 -3.942 1.00 10.00 C ATOM 0 H ILE A 80 -5.183 13.394 -1.526 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.245 14.945 -2.869 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.617 12.757 -4.180 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.138 14.238 -2.657 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.635 13.940 -4.309 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.671 14.314 -6.097 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.305 13.936 -5.501 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.550 15.497 -5.101 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.300 16.280 -3.700 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.518 16.139 -4.990 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.029 16.442 -3.312 1.00 10.00 H new ATOM 1307 N PHE A 81 -7.911 12.112 -1.756 1.00 10.00 N ATOM 1308 CA PHE A 81 -8.819 10.951 -1.689 1.00 10.00 C ATOM 1309 C PHE A 81 -10.134 11.171 -2.426 1.00 10.00 C ATOM 1310 O PHE A 81 -10.540 10.321 -3.214 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.134 10.563 -0.244 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.168 9.579 0.371 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.475 8.662 -0.406 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -7.977 9.556 1.739 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.613 7.750 0.172 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.120 8.645 2.323 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.438 7.740 1.538 1.00 10.00 C ATOM 0 H PHE A 81 -7.427 12.311 -0.881 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.279 10.144 -2.184 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.148 11.467 0.365 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.137 10.138 -0.207 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.611 8.661 -1.477 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -8.507 10.262 2.361 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -6.077 7.046 -0.447 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -6.984 8.641 3.394 1.00 10.00 H new ATOM 0 HZ PHE A 81 -5.768 7.025 1.993 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.794 12.292 -2.150 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.068 12.621 -2.784 1.00 10.00 C ATOM 1329 C LEU A 82 -12.502 14.023 -2.389 1.00 10.00 C ATOM 1330 O LEU A 82 -12.120 14.524 -1.329 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.152 11.621 -2.367 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.720 10.696 -3.466 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.225 10.861 -3.571 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.081 10.947 -4.824 1.00 10.00 C ATOM 0 H LEU A 82 -10.465 12.993 -1.486 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.933 12.571 -3.864 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -12.745 10.993 -1.574 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -13.981 12.182 -1.936 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.481 9.674 -3.173 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.610 10.203 -4.350 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.687 10.604 -2.618 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.461 11.895 -3.821 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.515 10.271 -5.561 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.262 11.978 -5.126 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.007 10.771 -4.759 1.00 10.00 H new