USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 972 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 32 THR OG1 : rot -63:sc= 0.293 USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0.273 USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0.751 USER MOD Set 2.2: A 60 SER OG : rot 59:sc= 0.251 USER MOD Set 2.3: A 62 SER OG : rot 180:sc= -0.271 USER MOD Set 3.1: A 51 CYS SG : rot 150:sc= 1.49 USER MOD Set 3.2: A 53 CYS SG : rot 42:sc= 1.09 USER MOD Set 3.3: A 111 CYS SG : rot 180:sc= -0.8 USER MOD Set 3.4: A 113 HIS : no HD1:sc= -0.291 K(o=1.5,f=-5!) USER MOD Set 4.1: A 20 THR OG1 : rot -77:sc= -0.759 USER MOD Set 4.2: A 36 GLN : amide:sc= -4.1 K(o=-4.9,f=-7.5) USER MOD Set 5.1: A 9 THR OG1 : rot 17:sc= 1.03 USER MOD Set 5.2: A 14 TYR OH : rot -151:sc= 0.882 USER MOD Set 5.3: A 136 ASN : amide:sc= -0.99! K(o=0.92!,f=1.9) USER MOD Single : A 8 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2!) USER MOD Single : A 11 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 18 HIS : no HD1:sc=-0.00452 X(o=-0.0045,f=-0.047) USER MOD Single : A 21 THR OG1 : rot -63:sc= 0.895 USER MOD Single : A 23 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.8!) USER MOD Single : A 25 GLN : amide:sc= -0.0725 X(o=-0.073,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.5) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0888 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -30:sc= 0.584 USER MOD Single : A 59 TYR OH : rot -92:sc= 0.0539 USER MOD Single : A 66 TYR OH : rot 70:sc= -0.944 USER MOD Single : A 71 CYS SG : rot 180:sc= -0.345 USER MOD Single : A 74 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-3.8) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 40:sc= 0.0512 USER MOD Single : A 83 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.62) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.39) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -2.3 X(o=-2.3,f=-2.6) USER MOD Single : A 100 CYS SG : rot 52:sc= 0.353 USER MOD Single : A 108 LYS NZ :NH3+ 136:sc= -3.24! (180deg=-4.92!) USER MOD Single : A 120 THR OG1 : rot -30:sc= 0.137 USER MOD Single : A 126 HIS : no HE2:sc= 0.93 K(o=0.93,f=-3.7!) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot -70:sc= -0.0701 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N PHE A 6 13.203 -8.871 -3.449 1.00 61.20 N ATOM 65 CA PHE A 6 14.524 -8.352 -3.784 1.00 22.51 C ATOM 66 C PHE A 6 15.140 -7.623 -2.594 1.00 11.05 C ATOM 67 O PHE A 6 14.737 -6.509 -2.257 1.00 72.51 O ATOM 68 CB PHE A 6 14.435 -7.408 -4.985 1.00 24.33 C ATOM 69 CG PHE A 6 13.573 -7.933 -6.097 1.00 43.22 C ATOM 70 CD1 PHE A 6 13.681 -9.250 -6.513 1.00 31.24 C ATOM 71 CD2 PHE A 6 12.656 -7.108 -6.728 1.00 33.11 C ATOM 72 CE1 PHE A 6 12.889 -9.736 -7.536 1.00 32.22 C ATOM 73 CE2 PHE A 6 11.861 -7.589 -7.751 1.00 53.43 C ATOM 74 CZ PHE A 6 11.978 -8.904 -8.157 1.00 2.24 C ATOM 0 HA PHE A 6 15.164 -9.196 -4.041 1.00 22.51 H new ATOM 0 HB2 PHE A 6 14.041 -6.447 -4.653 1.00 24.33 H new ATOM 0 HB3 PHE A 6 15.439 -7.226 -5.369 1.00 24.33 H new ATOM 0 HD1 PHE A 6 14.393 -9.905 -6.032 1.00 31.24 H new ATOM 0 HD2 PHE A 6 12.561 -6.078 -6.417 1.00 33.11 H new ATOM 0 HE1 PHE A 6 12.982 -10.765 -7.850 1.00 32.22 H new ATOM 0 HE2 PHE A 6 11.148 -6.937 -8.233 1.00 53.43 H new ATOM 0 HZ PHE A 6 11.359 -9.281 -8.958 1.00 2.24 H new ATOM 84 N VAL A 7 16.119 -8.260 -1.959 1.00 44.41 N ATOM 85 CA VAL A 7 16.792 -7.672 -0.806 1.00 70.34 C ATOM 86 C VAL A 7 18.299 -7.601 -1.027 1.00 12.20 C ATOM 87 O VAL A 7 18.906 -8.538 -1.546 1.00 4.04 O ATOM 88 CB VAL A 7 16.510 -8.475 0.477 1.00 34.33 C ATOM 89 CG1 VAL A 7 17.240 -7.862 1.662 1.00 20.13 C ATOM 90 CG2 VAL A 7 15.013 -8.547 0.742 1.00 63.31 C ATOM 0 H VAL A 7 16.464 -9.183 -2.223 1.00 44.41 H new ATOM 0 HA VAL A 7 16.397 -6.663 -0.689 1.00 70.34 H new ATOM 0 HB VAL A 7 16.881 -9.491 0.338 1.00 34.33 H new ATOM 0 HG11 VAL A 7 17.029 -8.443 2.560 1.00 20.13 H new ATOM 0 HG12 VAL A 7 18.313 -7.867 1.471 1.00 20.13 H new ATOM 0 HG13 VAL A 7 16.902 -6.836 1.806 1.00 20.13 H new ATOM 0 HG21 VAL A 7 14.832 -9.118 1.653 1.00 63.31 H new ATOM 0 HG22 VAL A 7 14.616 -7.539 0.861 1.00 63.31 H new ATOM 0 HG23 VAL A 7 14.518 -9.036 -0.097 1.00 63.31 H new ATOM 100 N HIS A 8 18.897 -6.482 -0.629 1.00 61.42 N ATOM 101 CA HIS A 8 20.335 -6.288 -0.782 1.00 74.43 C ATOM 102 C HIS A 8 20.947 -5.729 0.498 1.00 13.23 C ATOM 103 O HIS A 8 20.518 -4.690 1.002 1.00 44.31 O ATOM 104 CB HIS A 8 20.622 -5.347 -1.952 1.00 72.04 C ATOM 105 CG HIS A 8 20.020 -3.985 -1.787 1.00 60.53 C ATOM 106 ND1 HIS A 8 18.752 -3.665 -2.223 1.00 74.41 N ATOM 107 CD2 HIS A 8 20.520 -2.859 -1.228 1.00 53.54 C ATOM 108 CE1 HIS A 8 18.498 -2.400 -1.941 1.00 73.01 C ATOM 109 NE2 HIS A 8 19.555 -1.888 -1.337 1.00 14.32 N ATOM 0 H HIS A 8 18.409 -5.697 -0.199 1.00 61.42 H new ATOM 0 HA HIS A 8 20.788 -7.258 -0.986 1.00 74.43 H new ATOM 0 HB2 HIS A 8 21.701 -5.246 -2.070 1.00 72.04 H new ATOM 0 HB3 HIS A 8 20.241 -5.795 -2.870 1.00 72.04 H new ATOM 0 HD1 HIS A 8 18.110 -4.305 -2.690 1.00 74.41 H new ATOM 0 HD2 HIS A 8 21.496 -2.745 -0.780 1.00 53.54 H new ATOM 0 HE1 HIS A 8 17.582 -1.874 -2.166 1.00 73.01 H new ATOM 117 N THR A 9 21.951 -6.425 1.022 1.00 42.21 N ATOM 118 CA THR A 9 22.621 -5.999 2.244 1.00 12.13 C ATOM 119 C THR A 9 24.092 -5.693 1.987 1.00 11.24 C ATOM 120 O THR A 9 24.904 -6.602 1.820 1.00 31.14 O ATOM 121 CB THR A 9 22.516 -7.071 3.345 1.00 31.21 C ATOM 122 OG1 THR A 9 23.256 -8.237 2.966 1.00 51.13 O ATOM 123 CG2 THR A 9 21.064 -7.447 3.598 1.00 14.53 C ATOM 0 H THR A 9 22.318 -7.287 0.619 1.00 42.21 H new ATOM 0 HA THR A 9 22.118 -5.092 2.580 1.00 12.13 H new ATOM 0 HB THR A 9 22.934 -6.658 4.263 1.00 31.21 H new ATOM 0 HG1 THR A 9 23.876 -8.010 2.242 1.00 51.13 H new ATOM 0 HG21 THR A 9 21.015 -8.205 4.379 1.00 14.53 H new ATOM 0 HG22 THR A 9 20.509 -6.564 3.915 1.00 14.53 H new ATOM 0 HG23 THR A 9 20.625 -7.842 2.682 1.00 14.53 H new ATOM 131 N GLU A 10 24.428 -4.407 1.958 1.00 53.10 N ATOM 132 CA GLU A 10 25.803 -3.982 1.721 1.00 35.41 C ATOM 133 C GLU A 10 26.244 -4.335 0.304 1.00 63.23 C ATOM 134 O GLU A 10 26.324 -3.468 -0.566 1.00 1.13 O ATOM 135 CB GLU A 10 26.743 -4.634 2.737 1.00 1.32 C ATOM 136 CG GLU A 10 26.104 -4.868 4.096 1.00 53.05 C ATOM 137 CD GLU A 10 27.126 -4.980 5.210 1.00 72.31 C ATOM 138 OE1 GLU A 10 28.048 -4.140 5.257 1.00 50.21 O ATOM 139 OE2 GLU A 10 27.003 -5.909 6.035 1.00 32.45 O ATOM 0 H GLU A 10 23.768 -3.642 2.096 1.00 53.10 H new ATOM 0 HA GLU A 10 25.848 -2.899 1.838 1.00 35.41 H new ATOM 0 HB2 GLU A 10 27.089 -5.588 2.339 1.00 1.32 H new ATOM 0 HB3 GLU A 10 27.623 -4.003 2.863 1.00 1.32 H new ATOM 0 HG2 GLU A 10 25.419 -4.049 4.317 1.00 53.05 H new ATOM 0 HG3 GLU A 10 25.509 -5.780 4.061 1.00 53.05 H new ATOM 146 N GLN A 11 26.530 -5.614 0.080 1.00 4.24 N ATOM 147 CA GLN A 11 26.965 -6.081 -1.231 1.00 4.04 C ATOM 148 C GLN A 11 26.464 -7.496 -1.498 1.00 23.41 C ATOM 149 O GLN A 11 26.915 -8.158 -2.432 1.00 75.54 O ATOM 150 CB GLN A 11 28.491 -6.040 -1.329 1.00 64.43 C ATOM 151 CG GLN A 11 29.009 -6.050 -2.759 1.00 10.24 C ATOM 152 CD GLN A 11 30.383 -6.680 -2.878 1.00 13.13 C ATOM 153 OE1 GLN A 11 30.742 -7.564 -2.100 1.00 23.31 O ATOM 154 NE2 GLN A 11 31.159 -6.227 -3.855 1.00 23.00 N ATOM 0 H GLN A 11 26.468 -6.345 0.789 1.00 4.24 H new ATOM 0 HA GLN A 11 26.542 -5.417 -1.985 1.00 4.04 H new ATOM 0 HB2 GLN A 11 28.855 -5.144 -0.826 1.00 64.43 H new ATOM 0 HB3 GLN A 11 28.904 -6.896 -0.796 1.00 64.43 H new ATOM 0 HG2 GLN A 11 28.308 -6.595 -3.391 1.00 10.24 H new ATOM 0 HG3 GLN A 11 29.049 -5.027 -3.134 1.00 10.24 H new ATOM 0 HE21 GLN A 11 30.820 -5.493 -4.477 1.00 23.00 H new ATOM 0 HE22 GLN A 11 32.094 -6.613 -3.984 1.00 23.00 H new ATOM 163 N ALA A 12 25.530 -7.954 -0.671 1.00 20.11 N ATOM 164 CA ALA A 12 24.967 -9.290 -0.819 1.00 74.22 C ATOM 165 C ALA A 12 23.472 -9.226 -1.112 1.00 75.11 C ATOM 166 O ALA A 12 22.688 -8.752 -0.289 1.00 21.22 O ATOM 167 CB ALA A 12 25.226 -10.114 0.433 1.00 22.42 C ATOM 0 H ALA A 12 25.147 -7.419 0.109 1.00 20.11 H new ATOM 0 HA ALA A 12 25.457 -9.772 -1.665 1.00 74.22 H new ATOM 0 HB1 ALA A 12 24.800 -11.109 0.308 1.00 22.42 H new ATOM 0 HB2 ALA A 12 26.300 -10.197 0.598 1.00 22.42 H new ATOM 0 HB3 ALA A 12 24.764 -9.627 1.291 1.00 22.42 H new ATOM 173 N ILE A 13 23.083 -9.705 -2.289 1.00 50.21 N ATOM 174 CA ILE A 13 21.681 -9.702 -2.689 1.00 44.25 C ATOM 175 C ILE A 13 21.033 -11.058 -2.433 1.00 24.05 C ATOM 176 O ILE A 13 21.401 -12.060 -3.047 1.00 1.23 O ATOM 177 CB ILE A 13 21.522 -9.343 -4.179 1.00 21.23 C ATOM 178 CG1 ILE A 13 21.539 -7.825 -4.365 1.00 4.42 C ATOM 179 CG2 ILE A 13 20.234 -9.935 -4.731 1.00 63.43 C ATOM 180 CD1 ILE A 13 22.789 -7.164 -3.826 1.00 41.03 C ATOM 0 H ILE A 13 23.719 -10.100 -2.982 1.00 50.21 H new ATOM 0 HA ILE A 13 21.182 -8.944 -2.085 1.00 44.25 H new ATOM 0 HB ILE A 13 22.361 -9.767 -4.731 1.00 21.23 H new ATOM 0 HG12 ILE A 13 21.446 -7.596 -5.427 1.00 4.42 H new ATOM 0 HG13 ILE A 13 20.668 -7.396 -3.869 1.00 4.42 H new ATOM 0 HG21 ILE A 13 20.135 -9.673 -5.784 1.00 63.43 H new ATOM 0 HG22 ILE A 13 20.259 -11.020 -4.628 1.00 63.43 H new ATOM 0 HG23 ILE A 13 19.384 -9.537 -4.177 1.00 63.43 H new ATOM 0 HD11 ILE A 13 22.732 -6.088 -3.992 1.00 41.03 H new ATOM 0 HD12 ILE A 13 22.874 -7.362 -2.758 1.00 41.03 H new ATOM 0 HD13 ILE A 13 23.663 -7.565 -4.340 1.00 41.03 H new ATOM 192 N TYR A 14 20.066 -11.082 -1.523 1.00 30.24 N ATOM 193 CA TYR A 14 19.366 -12.316 -1.184 1.00 2.44 C ATOM 194 C TYR A 14 18.042 -12.414 -1.934 1.00 74.41 C ATOM 195 O TYR A 14 17.239 -11.480 -1.928 1.00 64.53 O ATOM 196 CB TYR A 14 19.118 -12.388 0.324 1.00 53.10 C ATOM 197 CG TYR A 14 20.381 -12.549 1.139 1.00 40.11 C ATOM 198 CD1 TYR A 14 21.089 -11.440 1.585 1.00 1.23 C ATOM 199 CD2 TYR A 14 20.867 -13.810 1.462 1.00 42.33 C ATOM 200 CE1 TYR A 14 22.244 -11.582 2.330 1.00 42.14 C ATOM 201 CE2 TYR A 14 22.021 -13.961 2.207 1.00 74.33 C ATOM 202 CZ TYR A 14 22.706 -12.845 2.638 1.00 14.41 C ATOM 203 OH TYR A 14 23.856 -12.991 3.379 1.00 33.43 O ATOM 0 H TYR A 14 19.749 -10.262 -1.007 1.00 30.24 H new ATOM 0 HA TYR A 14 19.995 -13.155 -1.482 1.00 2.44 H new ATOM 0 HB2 TYR A 14 18.603 -11.482 0.643 1.00 53.10 H new ATOM 0 HB3 TYR A 14 18.451 -13.224 0.534 1.00 53.10 H new ATOM 0 HD1 TYR A 14 20.730 -10.450 1.345 1.00 1.23 H new ATOM 0 HD2 TYR A 14 20.334 -14.687 1.125 1.00 42.33 H new ATOM 0 HE1 TYR A 14 22.782 -10.709 2.669 1.00 42.14 H new ATOM 0 HE2 TYR A 14 22.384 -14.948 2.450 1.00 74.33 H new ATOM 0 HH TYR A 14 24.296 -13.833 3.138 1.00 33.43 H new ATOM 213 N LYS A 15 17.819 -13.554 -2.580 1.00 33.12 N ATOM 214 CA LYS A 15 16.592 -13.779 -3.334 1.00 75.14 C ATOM 215 C LYS A 15 16.317 -15.271 -3.495 1.00 2.02 C ATOM 216 O LYS A 15 17.204 -16.100 -3.294 1.00 1.50 O ATOM 217 CB LYS A 15 16.686 -13.116 -4.710 1.00 72.25 C ATOM 218 CG LYS A 15 15.998 -11.764 -4.783 1.00 1.14 C ATOM 219 CD LYS A 15 16.802 -10.772 -5.607 1.00 24.53 C ATOM 220 CE LYS A 15 16.851 -11.176 -7.072 1.00 62.03 C ATOM 221 NZ LYS A 15 18.218 -11.599 -7.486 1.00 33.41 N ATOM 0 H LYS A 15 18.473 -14.337 -2.596 1.00 33.12 H new ATOM 0 HA LYS A 15 15.767 -13.334 -2.778 1.00 75.14 H new ATOM 0 HB2 LYS A 15 17.736 -12.994 -4.974 1.00 72.25 H new ATOM 0 HB3 LYS A 15 16.245 -13.779 -5.454 1.00 72.25 H new ATOM 0 HG2 LYS A 15 15.007 -11.883 -5.221 1.00 1.14 H new ATOM 0 HG3 LYS A 15 15.857 -11.372 -3.776 1.00 1.14 H new ATOM 0 HD2 LYS A 15 16.360 -9.780 -5.517 1.00 24.53 H new ATOM 0 HD3 LYS A 15 17.816 -10.707 -5.212 1.00 24.53 H new ATOM 0 HE2 LYS A 15 16.150 -11.992 -7.247 1.00 62.03 H new ATOM 0 HE3 LYS A 15 16.527 -10.339 -7.690 1.00 62.03 H new ATOM 0 HZ1 LYS A 15 18.209 -11.866 -8.491 1.00 33.41 H new ATOM 0 HZ2 LYS A 15 18.883 -10.812 -7.343 1.00 33.41 H new ATOM 0 HZ3 LYS A 15 18.517 -12.414 -6.914 1.00 33.41 H new ATOM 235 N ASN A 16 15.084 -15.605 -3.859 1.00 74.41 N ATOM 236 CA ASN A 16 14.693 -16.998 -4.047 1.00 43.05 C ATOM 237 C ASN A 16 15.361 -17.587 -5.286 1.00 61.32 C ATOM 238 O ASN A 16 15.077 -17.178 -6.411 1.00 53.33 O ATOM 239 CB ASN A 16 13.173 -17.111 -4.172 1.00 15.23 C ATOM 240 CG ASN A 16 12.528 -17.652 -2.910 1.00 70.54 C ATOM 241 OD1 ASN A 16 11.954 -16.902 -2.122 1.00 12.43 O ATOM 242 ND2 ASN A 16 12.621 -18.963 -2.715 1.00 13.45 N ATOM 0 H ASN A 16 14.338 -14.931 -4.030 1.00 74.41 H new ATOM 0 HA ASN A 16 15.022 -17.563 -3.174 1.00 43.05 H new ATOM 0 HB2 ASN A 16 12.756 -16.130 -4.398 1.00 15.23 H new ATOM 0 HB3 ASN A 16 12.927 -17.763 -5.010 1.00 15.23 H new ATOM 0 HD21 ASN A 16 12.206 -19.386 -1.884 1.00 13.45 H new ATOM 0 HD22 ASN A 16 13.107 -19.547 -3.396 1.00 13.45 H new ATOM 249 N ALA A 17 16.250 -18.552 -5.070 1.00 51.54 N ATOM 250 CA ALA A 17 16.956 -19.199 -6.169 1.00 21.23 C ATOM 251 C ALA A 17 15.978 -19.828 -7.155 1.00 61.41 C ATOM 252 O ALA A 17 16.232 -19.865 -8.360 1.00 3.55 O ATOM 253 CB ALA A 17 17.917 -20.250 -5.632 1.00 35.12 C ATOM 0 H ALA A 17 16.498 -18.902 -4.145 1.00 51.54 H new ATOM 0 HA ALA A 17 17.527 -18.438 -6.700 1.00 21.23 H new ATOM 0 HB1 ALA A 17 18.438 -20.725 -6.463 1.00 35.12 H new ATOM 0 HB2 ALA A 17 18.644 -19.776 -4.972 1.00 35.12 H new ATOM 0 HB3 ALA A 17 17.359 -21.003 -5.075 1.00 35.12 H new ATOM 259 N HIS A 18 14.859 -20.324 -6.637 1.00 32.10 N ATOM 260 CA HIS A 18 13.842 -20.953 -7.473 1.00 41.51 C ATOM 261 C HIS A 18 13.083 -19.907 -8.284 1.00 11.52 C ATOM 262 O HIS A 18 12.549 -20.202 -9.354 1.00 25.40 O ATOM 263 CB HIS A 18 12.866 -21.753 -6.611 1.00 21.43 C ATOM 264 CG HIS A 18 11.688 -22.280 -7.371 1.00 62.31 C ATOM 265 ND1 HIS A 18 11.810 -23.031 -8.521 1.00 73.04 N ATOM 266 CD2 HIS A 18 10.360 -22.163 -7.139 1.00 11.40 C ATOM 267 CE1 HIS A 18 10.607 -23.351 -8.965 1.00 1.22 C ATOM 268 NE2 HIS A 18 9.710 -22.836 -8.143 1.00 73.35 N ATOM 0 H HIS A 18 14.633 -20.303 -5.643 1.00 32.10 H new ATOM 0 HA HIS A 18 14.343 -21.630 -8.164 1.00 41.51 H new ATOM 0 HB2 HIS A 18 13.397 -22.589 -6.156 1.00 21.43 H new ATOM 0 HB3 HIS A 18 12.510 -21.121 -5.798 1.00 21.43 H new ATOM 0 HD2 HIS A 18 9.898 -21.638 -6.317 1.00 11.40 H new ATOM 0 HE1 HIS A 18 10.394 -23.934 -9.849 1.00 1.22 H new ATOM 0 HE2 HIS A 18 8.698 -22.924 -8.239 1.00 73.35 H new ATOM 276 N LEU A 19 13.037 -18.684 -7.767 1.00 43.53 N ATOM 277 CA LEU A 19 12.343 -17.593 -8.443 1.00 34.12 C ATOM 278 C LEU A 19 13.315 -16.757 -9.269 1.00 13.12 C ATOM 279 O LEU A 19 12.906 -15.868 -10.017 1.00 5.55 O ATOM 280 CB LEU A 19 11.630 -16.706 -7.421 1.00 14.31 C ATOM 281 CG LEU A 19 10.261 -17.195 -6.946 1.00 52.04 C ATOM 282 CD1 LEU A 19 9.286 -17.265 -8.111 1.00 72.44 C ATOM 283 CD2 LEU A 19 10.385 -18.552 -6.270 1.00 32.25 C ATOM 0 H LEU A 19 13.472 -18.423 -6.882 1.00 43.53 H new ATOM 0 HA LEU A 19 11.604 -18.027 -9.117 1.00 34.12 H new ATOM 0 HB2 LEU A 19 12.277 -16.597 -6.550 1.00 14.31 H new ATOM 0 HB3 LEU A 19 11.509 -15.713 -7.854 1.00 14.31 H new ATOM 0 HG LEU A 19 9.874 -16.482 -6.217 1.00 52.04 H new ATOM 0 HD11 LEU A 19 8.317 -17.615 -7.754 1.00 72.44 H new ATOM 0 HD12 LEU A 19 9.174 -16.274 -8.552 1.00 72.44 H new ATOM 0 HD13 LEU A 19 9.667 -17.956 -8.863 1.00 72.44 H new ATOM 0 HD21 LEU A 19 9.401 -18.885 -5.938 1.00 32.25 H new ATOM 0 HD22 LEU A 19 10.793 -19.275 -6.977 1.00 32.25 H new ATOM 0 HD23 LEU A 19 11.050 -18.471 -5.410 1.00 32.25 H new ATOM 295 N THR A 20 14.604 -17.049 -9.131 1.00 23.24 N ATOM 296 CA THR A 20 15.635 -16.326 -9.864 1.00 51.32 C ATOM 297 C THR A 20 16.404 -17.257 -10.795 1.00 15.31 C ATOM 298 O THR A 20 16.241 -17.206 -12.015 1.00 1.13 O ATOM 299 CB THR A 20 16.629 -15.640 -8.908 1.00 15.42 C ATOM 300 OG1 THR A 20 17.177 -16.601 -7.999 1.00 13.31 O ATOM 301 CG2 THR A 20 15.947 -14.527 -8.127 1.00 13.55 C ATOM 0 H THR A 20 14.959 -17.782 -8.517 1.00 23.24 H new ATOM 0 HA THR A 20 15.126 -15.564 -10.455 1.00 51.32 H new ATOM 0 HB THR A 20 17.432 -15.205 -9.504 1.00 15.42 H new ATOM 0 HG1 THR A 20 16.521 -16.799 -7.298 1.00 13.31 H new ATOM 0 HG21 THR A 20 16.668 -14.057 -7.458 1.00 13.55 H new ATOM 0 HG22 THR A 20 15.556 -13.782 -8.821 1.00 13.55 H new ATOM 0 HG23 THR A 20 15.127 -14.943 -7.542 1.00 13.55 H new ATOM 309 N THR A 21 17.242 -18.109 -10.213 1.00 12.45 N ATOM 310 CA THR A 21 18.036 -19.051 -10.990 1.00 21.31 C ATOM 311 C THR A 21 18.460 -18.445 -12.323 1.00 2.14 C ATOM 312 O THR A 21 18.143 -18.960 -13.395 1.00 41.42 O ATOM 313 CB THR A 21 17.260 -20.355 -11.256 1.00 13.22 C ATOM 314 OG1 THR A 21 18.011 -21.202 -12.132 1.00 72.40 O ATOM 315 CG2 THR A 21 15.900 -20.059 -11.871 1.00 10.05 C ATOM 0 H THR A 21 17.388 -18.166 -9.205 1.00 12.45 H new ATOM 0 HA THR A 21 18.923 -19.279 -10.399 1.00 21.31 H new ATOM 0 HB THR A 21 17.108 -20.862 -10.303 1.00 13.22 H new ATOM 0 HG1 THR A 21 18.118 -20.762 -13.001 1.00 72.40 H new ATOM 0 HG21 THR A 21 15.370 -20.995 -12.050 1.00 10.05 H new ATOM 0 HG22 THR A 21 15.319 -19.438 -11.189 1.00 10.05 H new ATOM 0 HG23 THR A 21 16.035 -19.532 -12.816 1.00 10.05 H new ATOM 323 N PRO A 22 19.195 -17.325 -12.257 1.00 2.11 N ATOM 324 CA PRO A 22 19.680 -16.625 -13.450 1.00 52.13 C ATOM 325 C PRO A 22 20.763 -17.410 -14.183 1.00 13.51 C ATOM 326 O PRO A 22 20.961 -18.597 -13.929 1.00 50.23 O ATOM 327 CB PRO A 22 20.252 -15.321 -12.889 1.00 14.32 C ATOM 328 CG PRO A 22 20.618 -15.643 -11.481 1.00 51.31 C ATOM 329 CD PRO A 22 19.610 -16.656 -11.013 1.00 4.05 C ATOM 0 HA PRO A 22 18.889 -16.478 -14.185 1.00 52.13 H new ATOM 0 HB2 PRO A 22 21.121 -14.992 -13.459 1.00 14.32 H new ATOM 0 HB3 PRO A 22 19.519 -14.516 -12.933 1.00 14.32 H new ATOM 0 HG2 PRO A 22 21.630 -16.044 -11.423 1.00 51.31 H new ATOM 0 HG3 PRO A 22 20.592 -14.750 -10.857 1.00 51.31 H new ATOM 0 HD2 PRO A 22 20.047 -17.360 -10.305 1.00 4.05 H new ATOM 0 HD3 PRO A 22 18.767 -16.181 -10.511 1.00 4.05 H new ATOM 337 N ASN A 23 21.461 -16.737 -15.092 1.00 62.54 N ATOM 338 CA ASN A 23 22.525 -17.373 -15.862 1.00 54.21 C ATOM 339 C ASN A 23 23.576 -17.981 -14.939 1.00 12.15 C ATOM 340 O ASN A 23 23.640 -19.199 -14.771 1.00 14.12 O ATOM 341 CB ASN A 23 23.180 -16.357 -16.800 1.00 60.33 C ATOM 342 CG ASN A 23 22.361 -16.115 -18.053 1.00 60.45 C ATOM 343 OD1 ASN A 23 21.388 -16.822 -18.318 1.00 41.35 O ATOM 344 ND2 ASN A 23 22.753 -15.113 -18.832 1.00 34.23 N ATOM 0 H ASN A 23 21.310 -15.753 -15.314 1.00 62.54 H new ATOM 0 HA ASN A 23 22.082 -18.173 -16.455 1.00 54.21 H new ATOM 0 HB2 ASN A 23 23.317 -15.414 -16.271 1.00 60.33 H new ATOM 0 HB3 ASN A 23 24.172 -16.712 -17.080 1.00 60.33 H new ATOM 0 HD21 ASN A 23 22.242 -14.903 -19.689 1.00 34.23 H new ATOM 0 HD22 ASN A 23 23.565 -14.553 -18.573 1.00 34.23 H new ATOM 351 N ASP A 24 24.397 -17.125 -14.342 1.00 4.53 N ATOM 352 CA ASP A 24 25.445 -17.577 -13.433 1.00 40.55 C ATOM 353 C ASP A 24 26.092 -16.394 -12.719 1.00 62.21 C ATOM 354 O ASP A 24 27.309 -16.357 -12.540 1.00 1.44 O ATOM 355 CB ASP A 24 26.506 -18.369 -14.199 1.00 0.03 C ATOM 356 CG ASP A 24 26.977 -19.592 -13.436 1.00 44.41 C ATOM 357 OD1 ASP A 24 27.925 -19.461 -12.634 1.00 44.11 O ATOM 358 OD2 ASP A 24 26.399 -20.679 -13.642 1.00 31.30 O ATOM 0 H ASP A 24 24.358 -16.114 -14.471 1.00 4.53 H new ATOM 0 HA ASP A 24 24.989 -18.225 -12.684 1.00 40.55 H new ATOM 0 HB2 ASP A 24 26.100 -18.679 -15.162 1.00 0.03 H new ATOM 0 HB3 ASP A 24 27.359 -17.723 -14.406 1.00 0.03 H new ATOM 363 N GLN A 25 25.270 -15.431 -12.315 1.00 61.13 N ATOM 364 CA GLN A 25 25.763 -14.247 -11.622 1.00 45.13 C ATOM 365 C GLN A 25 25.817 -14.480 -10.116 1.00 62.41 C ATOM 366 O GLN A 25 26.594 -13.842 -9.405 1.00 21.21 O ATOM 367 CB GLN A 25 24.874 -13.041 -11.932 1.00 64.31 C ATOM 368 CG GLN A 25 25.451 -12.117 -12.992 1.00 54.14 C ATOM 369 CD GLN A 25 24.910 -10.704 -12.891 1.00 25.11 C ATOM 370 OE1 GLN A 25 24.247 -10.214 -13.805 1.00 13.42 O ATOM 371 NE2 GLN A 25 25.193 -10.041 -11.776 1.00 15.15 N ATOM 0 H GLN A 25 24.260 -15.448 -12.456 1.00 61.13 H new ATOM 0 HA GLN A 25 26.774 -14.045 -11.976 1.00 45.13 H new ATOM 0 HB2 GLN A 25 23.898 -13.395 -12.263 1.00 64.31 H new ATOM 0 HB3 GLN A 25 24.713 -12.473 -11.015 1.00 64.31 H new ATOM 0 HG2 GLN A 25 26.537 -12.094 -12.897 1.00 54.14 H new ATOM 0 HG3 GLN A 25 25.226 -12.518 -13.980 1.00 54.14 H new ATOM 0 HE21 GLN A 25 25.746 -10.487 -11.044 1.00 15.15 H new ATOM 0 HE22 GLN A 25 24.857 -9.086 -11.651 1.00 15.15 H new ATOM 380 N THR A 26 24.986 -15.399 -9.635 1.00 32.44 N ATOM 381 CA THR A 26 24.937 -15.716 -8.213 1.00 23.21 C ATOM 382 C THR A 26 26.322 -16.064 -7.679 1.00 64.05 C ATOM 383 O THR A 26 27.280 -16.184 -8.444 1.00 50.12 O ATOM 384 CB THR A 26 23.981 -16.891 -7.931 1.00 44.23 C ATOM 385 OG1 THR A 26 24.340 -18.019 -8.737 1.00 43.54 O ATOM 386 CG2 THR A 26 22.540 -16.496 -8.216 1.00 2.31 C ATOM 0 H THR A 26 24.337 -15.937 -10.210 1.00 32.44 H new ATOM 0 HA THR A 26 24.567 -14.826 -7.704 1.00 23.21 H new ATOM 0 HB THR A 26 24.067 -17.156 -6.877 1.00 44.23 H new ATOM 0 HG1 THR A 26 23.729 -18.762 -8.551 1.00 43.54 H new ATOM 0 HG21 THR A 26 21.883 -17.341 -8.010 1.00 2.31 H new ATOM 0 HG22 THR A 26 22.260 -15.656 -7.580 1.00 2.31 H new ATOM 0 HG23 THR A 26 22.442 -16.207 -9.263 1.00 2.31 H new ATOM 394 N ILE A 27 26.421 -16.225 -6.364 1.00 64.54 N ATOM 395 CA ILE A 27 27.690 -16.562 -5.730 1.00 11.41 C ATOM 396 C ILE A 27 27.548 -17.787 -4.833 1.00 3.31 C ATOM 397 O ILE A 27 28.344 -18.724 -4.913 1.00 11.42 O ATOM 398 CB ILE A 27 28.230 -15.387 -4.893 1.00 53.54 C ATOM 399 CG1 ILE A 27 28.548 -14.193 -5.796 1.00 64.25 C ATOM 400 CG2 ILE A 27 29.465 -15.814 -4.115 1.00 43.24 C ATOM 401 CD1 ILE A 27 27.642 -13.004 -5.568 1.00 42.33 C ATOM 0 H ILE A 27 25.638 -16.128 -5.717 1.00 64.54 H new ATOM 0 HA ILE A 27 28.395 -16.781 -6.532 1.00 11.41 H new ATOM 0 HB ILE A 27 27.463 -15.085 -4.180 1.00 53.54 H new ATOM 0 HG12 ILE A 27 29.582 -13.889 -5.631 1.00 64.25 H new ATOM 0 HG13 ILE A 27 28.470 -14.505 -6.838 1.00 64.25 H new ATOM 0 HG21 ILE A 27 29.835 -14.973 -3.529 1.00 43.24 H new ATOM 0 HG22 ILE A 27 29.208 -16.637 -3.448 1.00 43.24 H new ATOM 0 HG23 ILE A 27 30.239 -16.139 -4.810 1.00 43.24 H new ATOM 0 HD11 ILE A 27 27.926 -12.196 -6.242 1.00 42.33 H new ATOM 0 HD12 ILE A 27 26.609 -13.292 -5.761 1.00 42.33 H new ATOM 0 HD13 ILE A 27 27.738 -12.666 -4.536 1.00 42.33 H new ATOM 413 N LEU A 28 26.530 -17.774 -3.980 1.00 74.14 N ATOM 414 CA LEU A 28 26.281 -18.885 -3.068 1.00 64.45 C ATOM 415 C LEU A 28 24.790 -19.038 -2.789 1.00 53.11 C ATOM 416 O LEU A 28 24.159 -18.145 -2.222 1.00 12.20 O ATOM 417 CB LEU A 28 27.039 -18.673 -1.756 1.00 75.14 C ATOM 418 CG LEU A 28 27.758 -19.898 -1.191 1.00 34.25 C ATOM 419 CD1 LEU A 28 29.178 -19.541 -0.781 1.00 20.52 C ATOM 420 CD2 LEU A 28 26.988 -20.470 -0.009 1.00 75.32 C ATOM 0 H LEU A 28 25.863 -17.006 -3.901 1.00 74.14 H new ATOM 0 HA LEU A 28 26.637 -19.799 -3.543 1.00 64.45 H new ATOM 0 HB2 LEU A 28 27.774 -17.883 -1.908 1.00 75.14 H new ATOM 0 HB3 LEU A 28 26.334 -18.312 -1.007 1.00 75.14 H new ATOM 0 HG LEU A 28 27.807 -20.659 -1.970 1.00 34.25 H new ATOM 0 HD11 LEU A 28 29.674 -20.425 -0.381 1.00 20.52 H new ATOM 0 HD12 LEU A 28 29.727 -19.178 -1.650 1.00 20.52 H new ATOM 0 HD13 LEU A 28 29.152 -18.763 -0.018 1.00 20.52 H new ATOM 0 HD21 LEU A 28 27.514 -21.341 0.381 1.00 75.32 H new ATOM 0 HD22 LEU A 28 26.908 -19.715 0.773 1.00 75.32 H new ATOM 0 HD23 LEU A 28 25.990 -20.764 -0.333 1.00 75.32 H new ATOM 432 N LEU A 29 24.232 -20.175 -3.189 1.00 35.22 N ATOM 433 CA LEU A 29 22.814 -20.446 -2.980 1.00 35.44 C ATOM 434 C LEU A 29 22.604 -21.854 -2.431 1.00 34.10 C ATOM 435 O LEU A 29 23.235 -22.808 -2.885 1.00 34.24 O ATOM 436 CB LEU A 29 22.043 -20.277 -4.290 1.00 71.31 C ATOM 437 CG LEU A 29 22.077 -21.469 -5.247 1.00 72.33 C ATOM 438 CD1 LEU A 29 20.914 -22.409 -4.970 1.00 72.35 C ATOM 439 CD2 LEU A 29 22.048 -20.994 -6.693 1.00 2.35 C ATOM 0 H LEU A 29 24.740 -20.924 -3.660 1.00 35.22 H new ATOM 0 HA LEU A 29 22.437 -19.731 -2.249 1.00 35.44 H new ATOM 0 HB2 LEU A 29 21.002 -20.059 -4.050 1.00 71.31 H new ATOM 0 HB3 LEU A 29 22.439 -19.406 -4.812 1.00 71.31 H new ATOM 0 HG LEU A 29 23.006 -22.015 -5.083 1.00 72.33 H new ATOM 0 HD11 LEU A 29 20.955 -23.251 -5.661 1.00 72.35 H new ATOM 0 HD12 LEU A 29 20.979 -22.776 -3.946 1.00 72.35 H new ATOM 0 HD13 LEU A 29 19.974 -21.874 -5.105 1.00 72.35 H new ATOM 0 HD21 LEU A 29 22.073 -21.856 -7.360 1.00 2.35 H new ATOM 0 HD22 LEU A 29 21.136 -20.424 -6.871 1.00 2.35 H new ATOM 0 HD23 LEU A 29 22.914 -20.361 -6.886 1.00 2.35 H new ATOM 451 N ALA A 30 21.711 -21.976 -1.454 1.00 2.23 N ATOM 452 CA ALA A 30 21.415 -23.267 -0.846 1.00 73.23 C ATOM 453 C ALA A 30 20.071 -23.804 -1.327 1.00 31.31 C ATOM 454 O ALA A 30 19.016 -23.281 -0.965 1.00 42.12 O ATOM 455 CB ALA A 30 21.427 -23.152 0.671 1.00 63.32 C ATOM 0 H ALA A 30 21.180 -21.196 -1.067 1.00 2.23 H new ATOM 0 HA ALA A 30 22.189 -23.971 -1.152 1.00 73.23 H new ATOM 0 HB1 ALA A 30 21.204 -24.124 1.111 1.00 63.32 H new ATOM 0 HB2 ALA A 30 22.411 -22.820 1.003 1.00 63.32 H new ATOM 0 HB3 ALA A 30 20.675 -22.429 0.987 1.00 63.32 H new ATOM 461 N LEU A 31 20.115 -24.851 -2.144 1.00 45.30 N ATOM 462 CA LEU A 31 18.901 -25.459 -2.675 1.00 55.13 C ATOM 463 C LEU A 31 17.968 -25.888 -1.547 1.00 23.40 C ATOM 464 O LEU A 31 16.755 -25.990 -1.733 1.00 62.13 O ATOM 465 CB LEU A 31 19.250 -26.664 -3.550 1.00 23.21 C ATOM 466 CG LEU A 31 19.966 -26.354 -4.865 1.00 54.13 C ATOM 467 CD1 LEU A 31 21.471 -26.302 -4.655 1.00 71.11 C ATOM 468 CD2 LEU A 31 19.608 -27.388 -5.923 1.00 42.54 C ATOM 0 H LEU A 31 20.979 -25.296 -2.453 1.00 45.30 H new ATOM 0 HA LEU A 31 18.388 -24.714 -3.283 1.00 55.13 H new ATOM 0 HB2 LEU A 31 19.877 -27.340 -2.969 1.00 23.21 H new ATOM 0 HB3 LEU A 31 18.329 -27.200 -3.779 1.00 23.21 H new ATOM 0 HG LEU A 31 19.636 -25.376 -5.215 1.00 54.13 H new ATOM 0 HD11 LEU A 31 21.963 -26.080 -5.602 1.00 71.11 H new ATOM 0 HD12 LEU A 31 21.711 -25.524 -3.931 1.00 71.11 H new ATOM 0 HD13 LEU A 31 21.820 -27.265 -4.282 1.00 71.11 H new ATOM 0 HD21 LEU A 31 20.126 -27.152 -6.852 1.00 42.54 H new ATOM 0 HD22 LEU A 31 19.909 -28.378 -5.581 1.00 42.54 H new ATOM 0 HD23 LEU A 31 18.532 -27.375 -6.095 1.00 42.54 H new ATOM 480 N THR A 32 18.543 -26.138 -0.374 1.00 54.12 N ATOM 481 CA THR A 32 17.764 -26.555 0.785 1.00 71.22 C ATOM 482 C THR A 32 17.024 -25.375 1.404 1.00 3.12 C ATOM 483 O THR A 32 16.004 -25.550 2.069 1.00 12.44 O ATOM 484 CB THR A 32 18.657 -27.206 1.857 1.00 25.33 C ATOM 485 OG1 THR A 32 19.718 -27.938 1.233 1.00 71.52 O ATOM 486 CG2 THR A 32 17.846 -28.137 2.745 1.00 20.44 C ATOM 0 H THR A 32 19.545 -26.059 -0.202 1.00 54.12 H new ATOM 0 HA THR A 32 17.040 -27.289 0.431 1.00 71.22 H new ATOM 0 HB THR A 32 19.078 -26.414 2.477 1.00 25.33 H new ATOM 0 HG1 THR A 32 19.342 -28.669 0.700 1.00 71.52 H new ATOM 0 HG21 THR A 32 18.499 -28.585 3.494 1.00 20.44 H new ATOM 0 HG22 THR A 32 17.058 -27.571 3.242 1.00 20.44 H new ATOM 0 HG23 THR A 32 17.399 -28.923 2.136 1.00 20.44 H new ATOM 494 N ALA A 33 17.545 -24.173 1.181 1.00 42.25 N ATOM 495 CA ALA A 33 16.932 -22.963 1.715 1.00 61.13 C ATOM 496 C ALA A 33 16.252 -22.159 0.612 1.00 63.14 C ATOM 497 O ALA A 33 15.637 -21.125 0.873 1.00 22.21 O ATOM 498 CB ALA A 33 17.975 -22.112 2.425 1.00 73.33 C ATOM 0 H ALA A 33 18.391 -24.011 0.634 1.00 42.25 H new ATOM 0 HA ALA A 33 16.169 -23.259 2.435 1.00 61.13 H new ATOM 0 HB1 ALA A 33 17.503 -21.212 2.819 1.00 73.33 H new ATOM 0 HB2 ALA A 33 18.412 -22.681 3.245 1.00 73.33 H new ATOM 0 HB3 ALA A 33 18.758 -21.833 1.720 1.00 73.33 H new ATOM 504 N ASP A 34 16.368 -22.640 -0.621 1.00 50.23 N ATOM 505 CA ASP A 34 15.764 -21.966 -1.765 1.00 0.43 C ATOM 506 C ASP A 34 16.167 -20.495 -1.803 1.00 52.32 C ATOM 507 O ASP A 34 15.407 -19.644 -2.267 1.00 54.31 O ATOM 508 CB ASP A 34 14.240 -22.089 -1.710 1.00 45.21 C ATOM 509 CG ASP A 34 13.636 -22.405 -3.064 1.00 43.22 C ATOM 510 OD1 ASP A 34 14.314 -22.167 -4.086 1.00 75.45 O ATOM 511 OD2 ASP A 34 12.487 -22.890 -3.102 1.00 33.54 O ATOM 0 H ASP A 34 16.875 -23.494 -0.854 1.00 50.23 H new ATOM 0 HA ASP A 34 16.127 -22.447 -2.673 1.00 0.43 H new ATOM 0 HB2 ASP A 34 13.967 -22.871 -1.002 1.00 45.21 H new ATOM 0 HB3 ASP A 34 13.816 -21.157 -1.335 1.00 45.21 H new ATOM 516 N LEU A 35 17.366 -20.202 -1.312 1.00 72.10 N ATOM 517 CA LEU A 35 17.870 -18.833 -1.289 1.00 70.30 C ATOM 518 C LEU A 35 19.226 -18.741 -1.981 1.00 41.21 C ATOM 519 O LEU A 35 20.001 -19.697 -1.977 1.00 43.42 O ATOM 520 CB LEU A 35 17.985 -18.336 0.153 1.00 44.52 C ATOM 521 CG LEU A 35 17.157 -17.099 0.504 1.00 4.02 C ATOM 522 CD1 LEU A 35 16.352 -17.338 1.772 1.00 70.52 C ATOM 523 CD2 LEU A 35 18.057 -15.882 0.664 1.00 64.31 C ATOM 0 H LEU A 35 18.007 -20.894 -0.924 1.00 72.10 H new ATOM 0 HA LEU A 35 17.164 -18.202 -1.829 1.00 70.30 H new ATOM 0 HB2 LEU A 35 17.691 -19.146 0.820 1.00 44.52 H new ATOM 0 HB3 LEU A 35 19.033 -18.118 0.359 1.00 44.52 H new ATOM 0 HG LEU A 35 16.462 -16.907 -0.313 1.00 4.02 H new ATOM 0 HD11 LEU A 35 15.769 -16.447 2.006 1.00 70.52 H new ATOM 0 HD12 LEU A 35 15.680 -18.183 1.622 1.00 70.52 H new ATOM 0 HD13 LEU A 35 17.030 -17.556 2.598 1.00 70.52 H new ATOM 0 HD21 LEU A 35 17.451 -15.011 0.914 1.00 64.31 H new ATOM 0 HD22 LEU A 35 18.777 -16.064 1.462 1.00 64.31 H new ATOM 0 HD23 LEU A 35 18.589 -15.698 -0.269 1.00 64.31 H new ATOM 535 N GLN A 36 19.505 -17.583 -2.572 1.00 25.51 N ATOM 536 CA GLN A 36 20.769 -17.366 -3.266 1.00 60.45 C ATOM 537 C GLN A 36 21.352 -16.000 -2.921 1.00 25.32 C ATOM 538 O GLN A 36 20.624 -15.080 -2.548 1.00 22.13 O ATOM 539 CB GLN A 36 20.570 -17.481 -4.779 1.00 23.42 C ATOM 540 CG GLN A 36 19.862 -16.284 -5.392 1.00 63.12 C ATOM 541 CD GLN A 36 19.737 -16.389 -6.899 1.00 71.43 C ATOM 542 OE1 GLN A 36 19.560 -17.479 -7.444 1.00 71.24 O ATOM 543 NE2 GLN A 36 19.828 -15.254 -7.582 1.00 31.01 N ATOM 0 H GLN A 36 18.874 -16.782 -2.584 1.00 25.51 H new ATOM 0 HA GLN A 36 21.471 -18.133 -2.939 1.00 60.45 H new ATOM 0 HB2 GLN A 36 21.542 -17.601 -5.257 1.00 23.42 H new ATOM 0 HB3 GLN A 36 19.995 -18.382 -4.994 1.00 23.42 H new ATOM 0 HG2 GLN A 36 18.868 -16.191 -4.954 1.00 63.12 H new ATOM 0 HG3 GLN A 36 20.408 -15.375 -5.139 1.00 63.12 H new ATOM 0 HE21 GLN A 36 19.975 -14.373 -7.090 1.00 31.01 H new ATOM 0 HE22 GLN A 36 19.751 -15.263 -8.599 1.00 31.01 H new ATOM 552 N ILE A 37 22.669 -15.876 -3.047 1.00 3.11 N ATOM 553 CA ILE A 37 23.350 -14.622 -2.748 1.00 53.24 C ATOM 554 C ILE A 37 24.052 -14.070 -3.984 1.00 41.22 C ATOM 555 O ILE A 37 24.755 -14.796 -4.688 1.00 15.22 O ATOM 556 CB ILE A 37 24.383 -14.797 -1.620 1.00 12.44 C ATOM 557 CG1 ILE A 37 23.745 -15.498 -0.419 1.00 32.22 C ATOM 558 CG2 ILE A 37 24.953 -13.447 -1.210 1.00 22.00 C ATOM 559 CD1 ILE A 37 24.704 -15.724 0.729 1.00 11.50 C ATOM 0 H ILE A 37 23.286 -16.628 -3.354 1.00 3.11 H new ATOM 0 HA ILE A 37 22.585 -13.917 -2.422 1.00 53.24 H new ATOM 0 HB ILE A 37 25.200 -15.418 -1.988 1.00 12.44 H new ATOM 0 HG12 ILE A 37 22.903 -14.903 -0.066 1.00 32.22 H new ATOM 0 HG13 ILE A 37 23.343 -16.459 -0.741 1.00 32.22 H new ATOM 0 HG21 ILE A 37 25.682 -13.587 -0.412 1.00 22.00 H new ATOM 0 HG22 ILE A 37 25.439 -12.982 -2.068 1.00 22.00 H new ATOM 0 HG23 ILE A 37 24.147 -12.804 -0.857 1.00 22.00 H new ATOM 0 HD11 ILE A 37 24.183 -16.225 1.545 1.00 11.50 H new ATOM 0 HD12 ILE A 37 25.534 -16.345 0.393 1.00 11.50 H new ATOM 0 HD13 ILE A 37 25.087 -14.765 1.078 1.00 11.50 H new ATOM 571 N ASP A 38 23.859 -12.781 -4.241 1.00 50.22 N ATOM 572 CA ASP A 38 24.476 -12.130 -5.391 1.00 3.43 C ATOM 573 C ASP A 38 25.388 -10.990 -4.945 1.00 72.31 C ATOM 574 O ASP A 38 25.483 -10.686 -3.757 1.00 33.32 O ATOM 575 CB ASP A 38 23.402 -11.598 -6.340 1.00 52.15 C ATOM 576 CG ASP A 38 23.661 -11.985 -7.783 1.00 63.21 C ATOM 577 OD1 ASP A 38 24.844 -12.027 -8.183 1.00 72.30 O ATOM 578 OD2 ASP A 38 22.682 -12.247 -8.512 1.00 11.10 O ATOM 0 H ASP A 38 23.280 -12.166 -3.669 1.00 50.22 H new ATOM 0 HA ASP A 38 25.079 -12.871 -5.916 1.00 3.43 H new ATOM 0 HB2 ASP A 38 22.429 -11.981 -6.033 1.00 52.15 H new ATOM 0 HB3 ASP A 38 23.357 -10.512 -6.261 1.00 52.15 H new ATOM 583 N GLY A 39 26.058 -10.364 -5.908 1.00 31.02 N ATOM 584 CA GLY A 39 26.954 -9.266 -5.594 1.00 61.44 C ATOM 585 C GLY A 39 26.694 -8.043 -6.451 1.00 62.10 C ATOM 586 O GLY A 39 26.326 -8.163 -7.620 1.00 44.44 O ATOM 0 H GLY A 39 25.996 -10.597 -6.899 1.00 31.02 H new ATOM 0 HA2 GLY A 39 26.843 -9.000 -4.543 1.00 61.44 H new ATOM 0 HA3 GLY A 39 27.985 -9.591 -5.733 1.00 61.44 H new ATOM 590 N CYS A 40 26.884 -6.864 -5.869 1.00 33.31 N ATOM 591 CA CYS A 40 26.665 -5.613 -6.586 1.00 72.32 C ATOM 592 C CYS A 40 27.157 -4.424 -5.768 1.00 15.02 C ATOM 593 O CYS A 40 27.342 -4.526 -4.555 1.00 35.31 O ATOM 594 CB CYS A 40 25.181 -5.443 -6.915 1.00 50.23 C ATOM 595 SG CYS A 40 24.832 -5.260 -8.680 1.00 65.21 S ATOM 0 H CYS A 40 27.189 -6.748 -4.903 1.00 33.31 H new ATOM 0 HA CYS A 40 27.234 -5.651 -7.515 1.00 72.32 H new ATOM 0 HB2 CYS A 40 24.635 -6.306 -6.535 1.00 50.23 H new ATOM 0 HB3 CYS A 40 24.801 -4.568 -6.388 1.00 50.23 H new ATOM 0 HG CYS A 40 23.551 -5.125 -8.857 1.00 65.21 H new ATOM 601 N ASP A 41 27.368 -3.297 -6.439 1.00 71.42 N ATOM 602 CA ASP A 41 27.839 -2.088 -5.774 1.00 61.05 C ATOM 603 C ASP A 41 26.667 -1.201 -5.366 1.00 4.14 C ATOM 604 O ASP A 41 26.747 0.024 -5.446 1.00 44.53 O ATOM 605 CB ASP A 41 28.786 -1.313 -6.691 1.00 44.54 C ATOM 606 CG ASP A 41 29.957 -2.154 -7.160 1.00 21.35 C ATOM 607 OD1 ASP A 41 29.724 -3.142 -7.887 1.00 51.32 O ATOM 608 OD2 ASP A 41 31.107 -1.826 -6.798 1.00 34.15 O ATOM 0 H ASP A 41 27.220 -3.196 -7.443 1.00 71.42 H new ATOM 0 HA ASP A 41 28.378 -2.384 -4.874 1.00 61.05 H new ATOM 0 HB2 ASP A 41 28.232 -0.951 -7.558 1.00 44.54 H new ATOM 0 HB3 ASP A 41 29.161 -0.436 -6.163 1.00 44.54 H new ATOM 613 N GLN A 42 25.581 -1.829 -4.928 1.00 52.11 N ATOM 614 CA GLN A 42 24.392 -1.096 -4.509 1.00 2.24 C ATOM 615 C GLN A 42 24.182 -1.216 -3.003 1.00 11.32 C ATOM 616 O GLN A 42 23.364 -2.003 -2.526 1.00 53.34 O ATOM 617 CB GLN A 42 23.159 -1.614 -5.251 1.00 21.34 C ATOM 618 CG GLN A 42 23.422 -1.943 -6.711 1.00 73.43 C ATOM 619 CD GLN A 42 22.200 -2.505 -7.412 1.00 2.12 C ATOM 620 OE1 GLN A 42 21.832 -3.663 -7.210 1.00 41.43 O ATOM 621 NE2 GLN A 42 21.564 -1.686 -8.241 1.00 12.54 N ATOM 0 H GLN A 42 25.500 -2.843 -4.854 1.00 52.11 H new ATOM 0 HA GLN A 42 24.539 -0.044 -4.755 1.00 2.24 H new ATOM 0 HB2 GLN A 42 22.790 -2.507 -4.747 1.00 21.34 H new ATOM 0 HB3 GLN A 42 22.369 -0.866 -5.192 1.00 21.34 H new ATOM 0 HG2 GLN A 42 23.751 -1.042 -7.229 1.00 73.43 H new ATOM 0 HG3 GLN A 42 24.237 -2.664 -6.776 1.00 73.43 H new ATOM 0 HE21 GLN A 42 21.904 -0.734 -8.378 1.00 12.54 H new ATOM 0 HE22 GLN A 42 20.735 -2.009 -8.741 1.00 12.54 H new ATOM 630 N PRO A 43 24.937 -0.417 -2.234 1.00 24.50 N ATOM 631 CA PRO A 43 24.852 -0.416 -0.771 1.00 14.44 C ATOM 632 C PRO A 43 23.540 0.177 -0.268 1.00 11.44 C ATOM 633 O PRO A 43 23.221 1.332 -0.549 1.00 20.22 O ATOM 634 CB PRO A 43 26.032 0.462 -0.347 1.00 62.21 C ATOM 635 CG PRO A 43 26.279 1.354 -1.514 1.00 61.24 C ATOM 636 CD PRO A 43 25.933 0.545 -2.734 1.00 42.21 C ATOM 0 HA PRO A 43 24.885 -1.425 -0.360 1.00 14.44 H new ATOM 0 HB2 PRO A 43 25.796 1.037 0.548 1.00 62.21 H new ATOM 0 HB3 PRO A 43 26.911 -0.140 -0.116 1.00 62.21 H new ATOM 0 HG2 PRO A 43 25.665 2.253 -1.455 1.00 61.24 H new ATOM 0 HG3 PRO A 43 27.319 1.679 -1.543 1.00 61.24 H new ATOM 0 HD2 PRO A 43 25.525 1.170 -3.528 1.00 42.21 H new ATOM 0 HD3 PRO A 43 26.808 0.041 -3.143 1.00 42.21 H new ATOM 644 N GLY A 44 22.782 -0.621 0.479 1.00 44.20 N ATOM 645 CA GLY A 44 21.514 -0.157 1.010 1.00 51.55 C ATOM 646 C GLY A 44 21.272 -0.627 2.430 1.00 25.30 C ATOM 647 O GLY A 44 22.156 -1.188 3.080 1.00 54.44 O ATOM 0 H GLY A 44 23.024 -1.581 0.726 1.00 44.20 H new ATOM 0 HA2 GLY A 44 21.489 0.932 0.982 1.00 51.55 H new ATOM 0 HA3 GLY A 44 20.705 -0.511 0.371 1.00 51.55 H new ATOM 651 N PRO A 45 20.051 -0.398 2.934 1.00 11.30 N ATOM 652 CA PRO A 45 19.668 -0.793 4.293 1.00 72.54 C ATOM 653 C PRO A 45 19.554 -2.306 4.445 1.00 33.42 C ATOM 654 O PRO A 45 20.017 -3.063 3.591 1.00 1.43 O ATOM 655 CB PRO A 45 18.300 -0.132 4.482 1.00 24.24 C ATOM 656 CG PRO A 45 17.759 0.022 3.103 1.00 64.10 C ATOM 657 CD PRO A 45 18.949 0.265 2.216 1.00 2.33 C ATOM 0 HA PRO A 45 20.410 -0.488 5.031 1.00 72.54 H new ATOM 0 HB2 PRO A 45 17.645 -0.748 5.098 1.00 24.24 H new ATOM 0 HB3 PRO A 45 18.392 0.833 4.981 1.00 24.24 H new ATOM 0 HG2 PRO A 45 17.218 -0.872 2.794 1.00 64.10 H new ATOM 0 HG3 PRO A 45 17.056 0.854 3.050 1.00 64.10 H new ATOM 0 HD2 PRO A 45 18.803 -0.160 1.223 1.00 2.33 H new ATOM 0 HD3 PRO A 45 19.140 1.330 2.082 1.00 2.33 H new ATOM 665 N ASP A 46 18.934 -2.741 5.537 1.00 61.01 N ATOM 666 CA ASP A 46 18.758 -4.164 5.800 1.00 33.44 C ATOM 667 C ASP A 46 20.103 -4.844 6.035 1.00 30.42 C ATOM 668 O ASP A 46 20.907 -4.985 5.115 1.00 60.51 O ATOM 669 CB ASP A 46 18.030 -4.835 4.634 1.00 42.42 C ATOM 670 CG ASP A 46 17.378 -6.143 5.033 1.00 31.45 C ATOM 671 OD1 ASP A 46 18.113 -7.090 5.384 1.00 44.33 O ATOM 672 OD2 ASP A 46 16.132 -6.222 4.995 1.00 11.11 O ATOM 0 H ASP A 46 18.545 -2.128 6.254 1.00 61.01 H new ATOM 0 HA ASP A 46 18.156 -4.269 6.702 1.00 33.44 H new ATOM 0 HB2 ASP A 46 17.270 -4.157 4.246 1.00 42.42 H new ATOM 0 HB3 ASP A 46 18.737 -5.017 3.825 1.00 42.42 H new ATOM 677 N ASN A 47 20.341 -5.263 7.274 1.00 14.11 N ATOM 678 CA ASN A 47 21.589 -5.927 7.630 1.00 3.34 C ATOM 679 C ASN A 47 21.329 -7.125 8.538 1.00 12.23 C ATOM 680 O ASN A 47 21.104 -6.969 9.739 1.00 72.01 O ATOM 681 CB ASN A 47 22.534 -4.943 8.324 1.00 62.13 C ATOM 682 CG ASN A 47 23.989 -5.350 8.194 1.00 23.34 C ATOM 683 OD1 ASN A 47 24.310 -6.537 8.137 1.00 24.44 O ATOM 684 ND2 ASN A 47 24.878 -4.364 8.148 1.00 75.32 N ATOM 0 H ASN A 47 19.686 -5.154 8.048 1.00 14.11 H new ATOM 0 HA ASN A 47 22.056 -6.284 6.712 1.00 3.34 H new ATOM 0 HB2 ASN A 47 22.398 -3.950 7.897 1.00 62.13 H new ATOM 0 HB3 ASN A 47 22.272 -4.874 9.380 1.00 62.13 H new ATOM 0 HD21 ASN A 47 25.872 -4.577 8.062 1.00 75.32 H new ATOM 0 HD22 ASN A 47 24.567 -3.394 8.199 1.00 75.32 H new ATOM 691 N ILE A 48 21.362 -8.319 7.957 1.00 54.02 N ATOM 692 CA ILE A 48 21.131 -9.543 8.714 1.00 72.25 C ATOM 693 C ILE A 48 21.950 -9.557 10.000 1.00 61.24 C ATOM 694 O ILE A 48 23.170 -9.726 9.986 1.00 34.23 O ATOM 695 CB ILE A 48 21.479 -10.793 7.883 1.00 52.51 C ATOM 696 CG1 ILE A 48 20.642 -10.829 6.602 1.00 25.41 C ATOM 697 CG2 ILE A 48 21.256 -12.054 8.704 1.00 13.41 C ATOM 698 CD1 ILE A 48 21.393 -11.372 5.406 1.00 52.21 C ATOM 0 H ILE A 48 21.546 -8.465 6.965 1.00 54.02 H new ATOM 0 HA ILE A 48 20.070 -9.565 8.962 1.00 72.25 H new ATOM 0 HB ILE A 48 22.532 -10.746 7.606 1.00 52.51 H new ATOM 0 HG12 ILE A 48 19.756 -11.441 6.773 1.00 25.41 H new ATOM 0 HG13 ILE A 48 20.295 -9.821 6.376 1.00 25.41 H new ATOM 0 HG21 ILE A 48 21.506 -12.928 8.103 1.00 13.41 H new ATOM 0 HG22 ILE A 48 21.891 -12.029 9.590 1.00 13.41 H new ATOM 0 HG23 ILE A 48 20.211 -12.110 9.008 1.00 13.41 H new ATOM 0 HD11 ILE A 48 20.739 -11.369 4.534 1.00 52.21 H new ATOM 0 HD12 ILE A 48 22.264 -10.747 5.209 1.00 52.21 H new ATOM 0 HD13 ILE A 48 21.717 -12.392 5.612 1.00 52.21 H new ATOM 710 N PRO A 49 21.266 -9.377 11.139 1.00 32.10 N ATOM 711 CA PRO A 49 21.910 -9.367 12.456 1.00 74.20 C ATOM 712 C PRO A 49 22.417 -10.746 12.864 1.00 72.34 C ATOM 713 O PRO A 49 22.429 -11.677 12.058 1.00 53.13 O ATOM 714 CB PRO A 49 20.790 -8.910 13.395 1.00 62.24 C ATOM 715 CG PRO A 49 19.531 -9.301 12.701 1.00 30.31 C ATOM 716 CD PRO A 49 19.811 -9.170 11.230 1.00 53.25 C ATOM 0 HA PRO A 49 22.790 -8.724 12.474 1.00 74.20 H new ATOM 0 HB2 PRO A 49 20.870 -9.390 14.370 1.00 62.24 H new ATOM 0 HB3 PRO A 49 20.830 -7.834 13.565 1.00 62.24 H new ATOM 0 HG2 PRO A 49 19.247 -10.322 12.955 1.00 30.31 H new ATOM 0 HG3 PRO A 49 18.704 -8.656 13.000 1.00 30.31 H new ATOM 0 HD2 PRO A 49 19.263 -9.912 10.649 1.00 53.25 H new ATOM 0 HD3 PRO A 49 19.520 -8.190 10.851 1.00 53.25 H new ATOM 724 N ASP A 50 22.834 -10.871 14.119 1.00 43.35 N ATOM 725 CA ASP A 50 23.341 -12.137 14.634 1.00 63.34 C ATOM 726 C ASP A 50 22.428 -12.684 15.726 1.00 32.31 C ATOM 727 O ASP A 50 22.869 -13.424 16.607 1.00 51.44 O ATOM 728 CB ASP A 50 24.759 -11.960 15.179 1.00 42.33 C ATOM 729 CG ASP A 50 25.651 -13.147 14.871 1.00 14.12 C ATOM 730 OD1 ASP A 50 25.119 -14.191 14.440 1.00 63.20 O ATOM 731 OD2 ASP A 50 26.880 -13.032 15.063 1.00 55.13 O ATOM 0 H ASP A 50 22.831 -10.110 14.799 1.00 43.35 H new ATOM 0 HA ASP A 50 23.363 -12.852 13.812 1.00 63.34 H new ATOM 0 HB2 ASP A 50 25.199 -11.059 14.753 1.00 42.33 H new ATOM 0 HB3 ASP A 50 24.714 -11.813 16.258 1.00 42.33 H new ATOM 736 N CYS A 51 21.153 -12.315 15.664 1.00 72.32 N ATOM 737 CA CYS A 51 20.177 -12.767 16.648 1.00 54.01 C ATOM 738 C CYS A 51 18.823 -13.025 15.992 1.00 11.14 C ATOM 739 O CYS A 51 18.397 -12.280 15.109 1.00 21.05 O ATOM 740 CB CYS A 51 20.027 -11.729 17.762 1.00 74.11 C ATOM 741 SG CYS A 51 18.555 -11.969 18.809 1.00 62.32 S ATOM 0 H CYS A 51 20.771 -11.704 14.942 1.00 72.32 H new ATOM 0 HA CYS A 51 20.537 -13.702 17.078 1.00 54.01 H new ATOM 0 HB2 CYS A 51 20.916 -11.757 18.392 1.00 74.11 H new ATOM 0 HB3 CYS A 51 19.984 -10.736 17.315 1.00 74.11 H new ATOM 0 HG CYS A 51 18.800 -11.533 20.009 1.00 62.32 H new ATOM 746 N ASP A 52 18.152 -14.084 16.431 1.00 32.11 N ATOM 747 CA ASP A 52 16.846 -14.440 15.889 1.00 72.23 C ATOM 748 C ASP A 52 15.792 -14.480 16.991 1.00 21.31 C ATOM 749 O ASP A 52 15.339 -15.552 17.393 1.00 74.45 O ATOM 750 CB ASP A 52 16.915 -15.795 15.183 1.00 62.41 C ATOM 751 CG ASP A 52 17.414 -16.899 16.096 1.00 54.44 C ATOM 752 OD1 ASP A 52 18.562 -16.797 16.577 1.00 33.50 O ATOM 753 OD2 ASP A 52 16.655 -17.863 16.329 1.00 3.41 O ATOM 0 H ASP A 52 18.491 -14.711 17.161 1.00 32.11 H new ATOM 0 HA ASP A 52 16.560 -13.676 15.166 1.00 72.23 H new ATOM 0 HB2 ASP A 52 15.926 -16.057 14.808 1.00 62.41 H new ATOM 0 HB3 ASP A 52 17.573 -15.718 14.318 1.00 62.41 H new ATOM 758 N CYS A 53 15.407 -13.305 17.478 1.00 64.23 N ATOM 759 CA CYS A 53 14.409 -13.205 18.535 1.00 55.31 C ATOM 760 C CYS A 53 13.125 -13.929 18.141 1.00 74.32 C ATOM 761 O CYS A 53 13.012 -14.460 17.035 1.00 32.54 O ATOM 762 CB CYS A 53 14.105 -11.737 18.841 1.00 43.31 C ATOM 763 SG CYS A 53 15.336 -10.932 19.916 1.00 43.55 S ATOM 0 H CYS A 53 15.772 -12.408 17.157 1.00 64.23 H new ATOM 0 HA CYS A 53 14.814 -13.680 19.429 1.00 55.31 H new ATOM 0 HB2 CYS A 53 14.043 -11.187 17.902 1.00 43.31 H new ATOM 0 HB3 CYS A 53 13.126 -11.671 19.315 1.00 43.31 H new ATOM 0 HG CYS A 53 16.531 -11.286 19.548 1.00 43.55 H new ATOM 768 N THR A 54 12.158 -13.947 19.053 1.00 54.21 N ATOM 769 CA THR A 54 10.882 -14.606 18.802 1.00 22.02 C ATOM 770 C THR A 54 9.793 -13.590 18.478 1.00 73.43 C ATOM 771 O THR A 54 9.316 -13.517 17.345 1.00 24.41 O ATOM 772 CB THR A 54 10.438 -15.449 20.012 1.00 22.34 C ATOM 773 OG1 THR A 54 10.699 -14.738 21.227 1.00 15.44 O ATOM 774 CG2 THR A 54 11.164 -16.786 20.036 1.00 2.11 C ATOM 0 H THR A 54 12.234 -13.512 19.973 1.00 54.21 H new ATOM 0 HA THR A 54 11.029 -15.263 17.945 1.00 22.02 H new ATOM 0 HB THR A 54 9.368 -15.636 19.923 1.00 22.34 H new ATOM 0 HG1 THR A 54 10.412 -15.280 21.991 1.00 15.44 H new ATOM 0 HG21 THR A 54 10.834 -17.364 20.899 1.00 2.11 H new ATOM 0 HG22 THR A 54 10.940 -17.338 19.123 1.00 2.11 H new ATOM 0 HG23 THR A 54 12.238 -16.615 20.103 1.00 2.11 H new ATOM 782 N SER A 55 9.403 -12.808 19.479 1.00 52.33 N ATOM 783 CA SER A 55 8.366 -11.797 19.300 1.00 24.50 C ATOM 784 C SER A 55 8.844 -10.688 18.368 1.00 2.12 C ATOM 785 O SER A 55 9.571 -9.785 18.781 1.00 15.12 O ATOM 786 CB SER A 55 7.963 -11.205 20.652 1.00 62.41 C ATOM 787 OG SER A 55 7.164 -10.047 20.483 1.00 24.14 O ATOM 0 H SER A 55 9.789 -12.854 20.422 1.00 52.33 H new ATOM 0 HA SER A 55 7.498 -12.278 18.849 1.00 24.50 H new ATOM 0 HB2 SER A 55 7.414 -11.949 21.229 1.00 62.41 H new ATOM 0 HB3 SER A 55 8.856 -10.954 21.224 1.00 62.41 H new ATOM 0 HG SER A 55 6.918 -9.688 21.361 1.00 24.14 H new ATOM 793 N GLY A 56 8.430 -10.764 17.107 1.00 41.51 N ATOM 794 CA GLY A 56 8.825 -9.761 16.135 1.00 10.42 C ATOM 795 C GLY A 56 7.656 -9.264 15.307 1.00 4.44 C ATOM 796 O GLY A 56 6.538 -9.143 15.809 1.00 22.43 O ATOM 0 H GLY A 56 7.828 -11.502 16.741 1.00 41.51 H new ATOM 0 HA2 GLY A 56 9.284 -8.919 16.653 1.00 10.42 H new ATOM 0 HA3 GLY A 56 9.583 -10.180 15.473 1.00 10.42 H new ATOM 800 N CYS A 57 7.915 -8.973 14.037 1.00 13.23 N ATOM 801 CA CYS A 57 6.875 -8.483 13.138 1.00 24.25 C ATOM 802 C CYS A 57 7.166 -8.892 11.698 1.00 35.20 C ATOM 803 O CYS A 57 8.280 -8.717 11.205 1.00 52.04 O ATOM 804 CB CYS A 57 6.763 -6.961 13.236 1.00 31.24 C ATOM 805 SG CYS A 57 8.316 -6.085 12.938 1.00 63.30 S ATOM 0 H CYS A 57 8.835 -9.068 13.607 1.00 13.23 H new ATOM 0 HA CYS A 57 5.928 -8.930 13.440 1.00 24.25 H new ATOM 0 HB2 CYS A 57 6.020 -6.615 12.517 1.00 31.24 H new ATOM 0 HB3 CYS A 57 6.394 -6.698 14.227 1.00 31.24 H new ATOM 0 HG CYS A 57 9.314 -6.833 13.305 1.00 63.30 H new ATOM 811 N TYR A 58 6.156 -9.439 11.029 1.00 25.35 N ATOM 812 CA TYR A 58 6.304 -9.877 9.647 1.00 61.53 C ATOM 813 C TYR A 58 5.339 -9.129 8.732 1.00 23.11 C ATOM 814 O TYR A 58 4.253 -8.728 9.151 1.00 22.23 O ATOM 815 CB TYR A 58 6.062 -11.384 9.538 1.00 2.14 C ATOM 816 CG TYR A 58 4.638 -11.744 9.181 1.00 32.32 C ATOM 817 CD1 TYR A 58 3.666 -11.877 10.166 1.00 43.52 C ATOM 818 CD2 TYR A 58 4.264 -11.954 7.860 1.00 53.43 C ATOM 819 CE1 TYR A 58 2.364 -12.206 9.844 1.00 32.34 C ATOM 820 CE2 TYR A 58 2.963 -12.282 7.529 1.00 64.21 C ATOM 821 CZ TYR A 58 2.017 -12.408 8.525 1.00 42.33 C ATOM 822 OH TYR A 58 0.721 -12.736 8.199 1.00 22.34 O ATOM 0 H TYR A 58 5.227 -9.589 11.422 1.00 25.35 H new ATOM 0 HA TYR A 58 7.323 -9.655 9.330 1.00 61.53 H new ATOM 0 HB2 TYR A 58 6.732 -11.798 8.784 1.00 2.14 H new ATOM 0 HB3 TYR A 58 6.320 -11.855 10.487 1.00 2.14 H new ATOM 0 HD1 TYR A 58 3.934 -11.720 11.201 1.00 43.52 H new ATOM 0 HD2 TYR A 58 5.003 -11.859 7.078 1.00 53.43 H new ATOM 0 HE1 TYR A 58 1.621 -12.305 10.622 1.00 32.34 H new ATOM 0 HE2 TYR A 58 2.688 -12.439 6.496 1.00 64.21 H new ATOM 0 HH TYR A 58 0.645 -12.842 7.228 1.00 22.34 H new ATOM 832 N TYR A 59 5.744 -8.945 7.480 1.00 32.23 N ATOM 833 CA TYR A 59 4.917 -8.244 6.505 1.00 3.32 C ATOM 834 C TYR A 59 3.677 -9.060 6.154 1.00 24.31 C ATOM 835 O TYR A 59 3.743 -9.999 5.360 1.00 54.41 O ATOM 836 CB TYR A 59 5.724 -7.950 5.239 1.00 33.10 C ATOM 837 CG TYR A 59 5.005 -7.052 4.258 1.00 12.30 C ATOM 838 CD1 TYR A 59 4.589 -5.778 4.627 1.00 24.42 C ATOM 839 CD2 TYR A 59 4.742 -7.476 2.961 1.00 30.23 C ATOM 840 CE1 TYR A 59 3.932 -4.955 3.734 1.00 14.34 C ATOM 841 CE2 TYR A 59 4.086 -6.659 2.061 1.00 1.32 C ATOM 842 CZ TYR A 59 3.683 -5.399 2.453 1.00 75.24 C ATOM 843 OH TYR A 59 3.029 -4.581 1.560 1.00 71.22 O ATOM 0 H TYR A 59 6.639 -9.271 7.117 1.00 32.23 H new ATOM 0 HA TYR A 59 4.595 -7.302 6.950 1.00 3.32 H new ATOM 0 HB2 TYR A 59 6.669 -7.484 5.520 1.00 33.10 H new ATOM 0 HB3 TYR A 59 5.967 -8.891 4.746 1.00 33.10 H new ATOM 0 HD1 TYR A 59 4.783 -5.426 5.629 1.00 24.42 H new ATOM 0 HD2 TYR A 59 5.056 -8.462 2.651 1.00 30.23 H new ATOM 0 HE1 TYR A 59 3.615 -3.968 4.038 1.00 14.34 H new ATOM 0 HE2 TYR A 59 3.890 -7.004 1.057 1.00 1.32 H new ATOM 0 HH TYR A 59 2.065 -4.751 1.606 1.00 71.22 H new ATOM 853 N SER A 60 2.548 -8.695 6.752 1.00 74.32 N ATOM 854 CA SER A 60 1.292 -9.395 6.506 1.00 41.12 C ATOM 855 C SER A 60 0.666 -8.941 5.191 1.00 70.14 C ATOM 856 O SER A 60 0.303 -7.775 5.033 1.00 32.40 O ATOM 857 CB SER A 60 0.315 -9.154 7.658 1.00 24.45 C ATOM 858 OG SER A 60 -0.603 -10.227 7.781 1.00 51.51 O ATOM 0 H SER A 60 2.477 -7.919 7.410 1.00 74.32 H new ATOM 0 HA SER A 60 1.507 -10.462 6.438 1.00 41.12 H new ATOM 0 HB2 SER A 60 0.868 -9.036 8.590 1.00 24.45 H new ATOM 0 HB3 SER A 60 -0.228 -8.224 7.490 1.00 24.45 H new ATOM 0 HG SER A 60 -0.112 -11.061 7.937 1.00 51.51 H new ATOM 864 N ARG A 61 0.543 -9.871 4.249 1.00 3.00 N ATOM 865 CA ARG A 61 -0.037 -9.568 2.947 1.00 54.43 C ATOM 866 C ARG A 61 -1.547 -9.374 3.056 1.00 31.52 C ATOM 867 O ARG A 61 -2.149 -8.648 2.265 1.00 31.33 O ATOM 868 CB ARG A 61 0.273 -10.688 1.952 1.00 4.14 C ATOM 869 CG ARG A 61 0.479 -10.199 0.528 1.00 13.41 C ATOM 870 CD ARG A 61 1.946 -9.924 0.240 1.00 42.43 C ATOM 871 NE ARG A 61 2.340 -10.391 -1.087 1.00 24.35 N ATOM 872 CZ ARG A 61 2.033 -9.755 -2.211 1.00 72.45 C ATOM 873 NH1 ARG A 61 1.331 -8.631 -2.171 1.00 23.12 N ATOM 874 NH2 ARG A 61 2.428 -10.244 -3.380 1.00 54.14 N ATOM 0 H ARG A 61 0.838 -10.841 4.364 1.00 3.00 H new ATOM 0 HA ARG A 61 0.407 -8.640 2.588 1.00 54.43 H new ATOM 0 HB2 ARG A 61 1.169 -11.215 2.279 1.00 4.14 H new ATOM 0 HB3 ARG A 61 -0.544 -11.410 1.965 1.00 4.14 H new ATOM 0 HG2 ARG A 61 0.103 -10.945 -0.172 1.00 13.41 H new ATOM 0 HG3 ARG A 61 -0.101 -9.290 0.367 1.00 13.41 H new ATOM 0 HD2 ARG A 61 2.137 -8.854 0.319 1.00 42.43 H new ATOM 0 HD3 ARG A 61 2.562 -10.414 0.994 1.00 42.43 H new ATOM 0 HE ARG A 61 2.881 -11.253 -1.153 1.00 24.35 H new ATOM 0 HH11 ARG A 61 1.025 -8.252 -1.275 1.00 23.12 H new ATOM 0 HH12 ARG A 61 1.097 -8.145 -3.037 1.00 23.12 H new ATOM 0 HH21 ARG A 61 2.968 -11.109 -3.415 1.00 54.14 H new ATOM 0 HH22 ARG A 61 2.192 -9.755 -4.243 1.00 54.14 H new ATOM 888 N SER A 62 -2.152 -10.030 4.041 1.00 15.04 N ATOM 889 CA SER A 62 -3.592 -9.934 4.252 1.00 72.12 C ATOM 890 C SER A 62 -3.982 -8.532 4.710 1.00 20.14 C ATOM 891 O SER A 62 -5.123 -8.104 4.535 1.00 54.41 O ATOM 892 CB SER A 62 -4.048 -10.966 5.285 1.00 23.13 C ATOM 893 OG SER A 62 -2.941 -11.520 5.975 1.00 63.21 O ATOM 0 H SER A 62 -1.668 -10.634 4.705 1.00 15.04 H new ATOM 0 HA SER A 62 -4.087 -10.138 3.303 1.00 72.12 H new ATOM 0 HB2 SER A 62 -4.727 -10.497 5.997 1.00 23.13 H new ATOM 0 HB3 SER A 62 -4.606 -11.760 4.789 1.00 23.13 H new ATOM 0 HG SER A 62 -3.259 -12.175 6.631 1.00 63.21 H new ATOM 899 N LEU A 63 -3.026 -7.822 5.299 1.00 21.10 N ATOM 900 CA LEU A 63 -3.267 -6.468 5.784 1.00 53.52 C ATOM 901 C LEU A 63 -2.361 -5.466 5.076 1.00 64.04 C ATOM 902 O LEU A 63 -2.409 -4.267 5.351 1.00 22.11 O ATOM 903 CB LEU A 63 -3.041 -6.398 7.295 1.00 11.31 C ATOM 904 CG LEU A 63 -3.918 -7.316 8.148 1.00 4.50 C ATOM 905 CD1 LEU A 63 -5.356 -7.289 7.655 1.00 31.02 C ATOM 906 CD2 LEU A 63 -3.373 -8.736 8.134 1.00 33.54 C ATOM 0 H LEU A 63 -2.077 -8.162 5.452 1.00 21.10 H new ATOM 0 HA LEU A 63 -4.303 -6.210 5.566 1.00 53.52 H new ATOM 0 HB2 LEU A 63 -1.997 -6.635 7.497 1.00 11.31 H new ATOM 0 HB3 LEU A 63 -3.203 -5.370 7.619 1.00 11.31 H new ATOM 0 HG LEU A 63 -3.902 -6.952 9.175 1.00 4.50 H new ATOM 0 HD11 LEU A 63 -5.965 -7.948 8.274 1.00 31.02 H new ATOM 0 HD12 LEU A 63 -5.743 -6.272 7.718 1.00 31.02 H new ATOM 0 HD13 LEU A 63 -5.392 -7.628 6.620 1.00 31.02 H new ATOM 0 HD21 LEU A 63 -4.009 -9.376 8.746 1.00 33.54 H new ATOM 0 HD22 LEU A 63 -3.359 -9.110 7.110 1.00 33.54 H new ATOM 0 HD23 LEU A 63 -2.360 -8.741 8.536 1.00 33.54 H new ATOM 918 N ASP A 64 -1.537 -5.966 4.161 1.00 5.33 N ATOM 919 CA ASP A 64 -0.621 -5.114 3.411 1.00 61.44 C ATOM 920 C ASP A 64 0.183 -4.220 4.349 1.00 14.24 C ATOM 921 O ASP A 64 0.229 -3.002 4.174 1.00 32.11 O ATOM 922 CB ASP A 64 -1.394 -4.258 2.407 1.00 11.40 C ATOM 923 CG ASP A 64 -0.478 -3.445 1.513 1.00 14.20 C ATOM 924 OD1 ASP A 64 0.149 -4.038 0.611 1.00 51.10 O ATOM 925 OD2 ASP A 64 -0.388 -2.216 1.716 1.00 13.30 O ATOM 0 H ASP A 64 -1.485 -6.956 3.921 1.00 5.33 H new ATOM 0 HA ASP A 64 0.073 -5.757 2.870 1.00 61.44 H new ATOM 0 HB2 ASP A 64 -2.020 -4.903 1.790 1.00 11.40 H new ATOM 0 HB3 ASP A 64 -2.062 -3.586 2.945 1.00 11.40 H new ATOM 930 N ARG A 65 0.813 -4.832 5.346 1.00 2.03 N ATOM 931 CA ARG A 65 1.613 -4.091 6.314 1.00 12.22 C ATOM 932 C ARG A 65 2.231 -5.032 7.344 1.00 73.32 C ATOM 933 O ARG A 65 1.782 -6.167 7.510 1.00 5.01 O ATOM 934 CB ARG A 65 0.754 -3.040 7.019 1.00 15.33 C ATOM 935 CG ARG A 65 -0.569 -3.582 7.537 1.00 50.45 C ATOM 936 CD ARG A 65 -0.710 -3.368 9.036 1.00 73.54 C ATOM 937 NE ARG A 65 -1.495 -4.426 9.667 1.00 1.02 N ATOM 938 CZ ARG A 65 -2.072 -4.302 10.857 1.00 22.13 C ATOM 939 NH1 ARG A 65 -1.953 -3.172 11.541 1.00 62.30 N ATOM 940 NH2 ARG A 65 -2.770 -5.310 11.366 1.00 41.53 N ATOM 0 H ARG A 65 0.785 -5.839 5.505 1.00 2.03 H new ATOM 0 HA ARG A 65 2.418 -3.591 5.775 1.00 12.22 H new ATOM 0 HB2 ARG A 65 1.318 -2.623 7.853 1.00 15.33 H new ATOM 0 HB3 ARG A 65 0.556 -2.221 6.327 1.00 15.33 H new ATOM 0 HG2 ARG A 65 -1.393 -3.090 7.019 1.00 50.45 H new ATOM 0 HG3 ARG A 65 -0.641 -4.646 7.312 1.00 50.45 H new ATOM 0 HD2 ARG A 65 0.279 -3.330 9.492 1.00 73.54 H new ATOM 0 HD3 ARG A 65 -1.184 -2.404 9.222 1.00 73.54 H new ATOM 0 HE ARG A 65 -1.606 -5.308 9.167 1.00 1.02 H new ATOM 0 HH11 ARG A 65 -1.417 -2.395 11.153 1.00 62.30 H new ATOM 0 HH12 ARG A 65 -2.397 -3.080 12.455 1.00 62.30 H new ATOM 0 HH21 ARG A 65 -2.864 -6.181 10.843 1.00 41.53 H new ATOM 0 HH22 ARG A 65 -3.213 -5.214 12.280 1.00 41.53 H new ATOM 954 N TYR A 66 3.262 -4.554 8.031 1.00 34.13 N ATOM 955 CA TYR A 66 3.943 -5.354 9.042 1.00 0.34 C ATOM 956 C TYR A 66 3.079 -5.505 10.290 1.00 31.35 C ATOM 957 O TYR A 66 2.504 -4.534 10.782 1.00 13.13 O ATOM 958 CB TYR A 66 5.283 -4.714 9.411 1.00 71.33 C ATOM 959 CG TYR A 66 6.463 -5.319 8.683 1.00 14.34 C ATOM 960 CD1 TYR A 66 6.764 -4.947 7.379 1.00 3.41 C ATOM 961 CD2 TYR A 66 7.275 -6.262 9.300 1.00 72.42 C ATOM 962 CE1 TYR A 66 7.841 -5.497 6.710 1.00 13.42 C ATOM 963 CE2 TYR A 66 8.354 -6.817 8.639 1.00 1.42 C ATOM 964 CZ TYR A 66 8.633 -6.431 7.345 1.00 52.34 C ATOM 965 OH TYR A 66 9.706 -6.981 6.683 1.00 62.43 O ATOM 0 H TYR A 66 3.645 -3.617 7.906 1.00 34.13 H new ATOM 0 HA TYR A 66 4.123 -6.345 8.624 1.00 0.34 H new ATOM 0 HB2 TYR A 66 5.239 -3.647 9.192 1.00 71.33 H new ATOM 0 HB3 TYR A 66 5.440 -4.813 10.485 1.00 71.33 H new ATOM 0 HD1 TYR A 66 6.146 -4.216 6.879 1.00 3.41 H new ATOM 0 HD2 TYR A 66 7.059 -6.567 10.313 1.00 72.42 H new ATOM 0 HE1 TYR A 66 8.061 -5.197 5.696 1.00 13.42 H new ATOM 0 HE2 TYR A 66 8.975 -7.549 9.133 1.00 1.42 H new ATOM 0 HH TYR A 66 10.403 -6.302 6.569 1.00 62.43 H new ATOM 975 N ILE A 67 2.993 -6.730 10.798 1.00 64.55 N ATOM 976 CA ILE A 67 2.202 -7.010 11.989 1.00 75.11 C ATOM 977 C ILE A 67 3.027 -7.749 13.037 1.00 42.32 C ATOM 978 O ILE A 67 3.854 -8.605 12.721 1.00 0.34 O ATOM 979 CB ILE A 67 0.953 -7.847 11.652 1.00 44.13 C ATOM 980 CG1 ILE A 67 1.346 -9.299 11.372 1.00 4.01 C ATOM 981 CG2 ILE A 67 0.223 -7.251 10.458 1.00 52.12 C ATOM 982 CD1 ILE A 67 0.184 -10.169 10.948 1.00 53.43 C ATOM 0 H ILE A 67 3.462 -7.545 10.402 1.00 64.55 H new ATOM 0 HA ILE A 67 1.887 -6.047 12.391 1.00 75.11 H new ATOM 0 HB ILE A 67 0.280 -7.831 12.510 1.00 44.13 H new ATOM 0 HG12 ILE A 67 2.106 -9.317 10.591 1.00 4.01 H new ATOM 0 HG13 ILE A 67 1.799 -9.723 12.268 1.00 4.01 H new ATOM 0 HG21 ILE A 67 -0.657 -7.853 10.232 1.00 52.12 H new ATOM 0 HG22 ILE A 67 -0.085 -6.232 10.691 1.00 52.12 H new ATOM 0 HG23 ILE A 67 0.887 -7.240 9.594 1.00 52.12 H new ATOM 0 HD11 ILE A 67 0.537 -11.184 10.767 1.00 53.43 H new ATOM 0 HD12 ILE A 67 -0.568 -10.182 11.737 1.00 53.43 H new ATOM 0 HD13 ILE A 67 -0.256 -9.769 10.034 1.00 53.43 H new ATOM 994 N PRO A 68 2.798 -7.413 14.315 1.00 1.10 N ATOM 995 CA PRO A 68 3.509 -8.034 15.436 1.00 20.24 C ATOM 996 C PRO A 68 3.105 -9.490 15.644 1.00 11.30 C ATOM 997 O PRO A 68 1.922 -9.803 15.781 1.00 41.30 O ATOM 998 CB PRO A 68 3.087 -7.185 16.638 1.00 32.31 C ATOM 999 CG PRO A 68 1.767 -6.612 16.252 1.00 43.42 C ATOM 1000 CD PRO A 68 1.827 -6.401 14.764 1.00 31.10 C ATOM 0 HA PRO A 68 4.586 -8.059 15.272 1.00 20.24 H new ATOM 0 HB2 PRO A 68 3.007 -7.790 17.541 1.00 32.31 H new ATOM 0 HB3 PRO A 68 3.815 -6.400 16.843 1.00 32.31 H new ATOM 0 HG2 PRO A 68 0.955 -7.289 16.518 1.00 43.42 H new ATOM 0 HG3 PRO A 68 1.582 -5.672 16.772 1.00 43.42 H new ATOM 0 HD2 PRO A 68 0.852 -6.545 14.298 1.00 31.10 H new ATOM 0 HD3 PRO A 68 2.154 -5.392 14.514 1.00 31.10 H new ATOM 1008 N VAL A 69 4.095 -10.377 15.667 1.00 52.42 N ATOM 1009 CA VAL A 69 3.842 -11.800 15.859 1.00 2.45 C ATOM 1010 C VAL A 69 4.873 -12.419 16.797 1.00 52.32 C ATOM 1011 O VAL A 69 5.890 -11.801 17.111 1.00 32.40 O ATOM 1012 CB VAL A 69 3.861 -12.559 14.520 1.00 71.42 C ATOM 1013 CG1 VAL A 69 2.896 -11.923 13.531 1.00 34.23 C ATOM 1014 CG2 VAL A 69 5.271 -12.599 13.950 1.00 31.42 C ATOM 0 H VAL A 69 5.080 -10.135 15.555 1.00 52.42 H new ATOM 0 HA VAL A 69 2.851 -11.889 16.304 1.00 2.45 H new ATOM 0 HB VAL A 69 3.537 -13.584 14.699 1.00 71.42 H new ATOM 0 HG11 VAL A 69 2.924 -12.473 12.591 1.00 34.23 H new ATOM 0 HG12 VAL A 69 1.886 -11.952 13.939 1.00 34.23 H new ATOM 0 HG13 VAL A 69 3.186 -10.887 13.354 1.00 34.23 H new ATOM 0 HG21 VAL A 69 5.266 -13.139 13.003 1.00 31.42 H new ATOM 0 HG22 VAL A 69 5.626 -11.582 13.785 1.00 31.42 H new ATOM 0 HG23 VAL A 69 5.933 -13.105 14.653 1.00 31.42 H new ATOM 1024 N GLU A 70 4.602 -13.643 17.240 1.00 42.35 N ATOM 1025 CA GLU A 70 5.507 -14.345 18.142 1.00 60.22 C ATOM 1026 C GLU A 70 5.802 -15.752 17.630 1.00 33.30 C ATOM 1027 O GLU A 70 4.891 -16.562 17.449 1.00 42.33 O ATOM 1028 CB GLU A 70 4.907 -14.417 19.547 1.00 31.35 C ATOM 1029 CG GLU A 70 5.763 -15.192 20.536 1.00 55.13 C ATOM 1030 CD GLU A 70 5.044 -15.461 21.844 1.00 44.22 C ATOM 1031 OE1 GLU A 70 4.696 -14.486 22.541 1.00 14.52 O ATOM 1032 OE2 GLU A 70 4.831 -16.647 22.170 1.00 70.43 O ATOM 0 H GLU A 70 3.764 -14.168 16.989 1.00 42.35 H new ATOM 0 HA GLU A 70 6.443 -13.788 18.183 1.00 60.22 H new ATOM 0 HB2 GLU A 70 4.760 -13.404 19.922 1.00 31.35 H new ATOM 0 HB3 GLU A 70 3.923 -14.882 19.489 1.00 31.35 H new ATOM 0 HG2 GLU A 70 6.061 -16.140 20.088 1.00 55.13 H new ATOM 0 HG3 GLU A 70 6.677 -14.633 20.736 1.00 55.13 H new ATOM 1039 N CYS A 71 7.079 -16.036 17.399 1.00 54.23 N ATOM 1040 CA CYS A 71 7.494 -17.344 16.906 1.00 23.33 C ATOM 1041 C CYS A 71 8.415 -18.035 17.907 1.00 1.43 C ATOM 1042 O CYS A 71 8.567 -17.580 19.041 1.00 72.04 O ATOM 1043 CB CYS A 71 8.201 -17.204 15.557 1.00 3.35 C ATOM 1044 SG CYS A 71 7.318 -16.170 14.366 1.00 44.35 S ATOM 0 H CYS A 71 7.845 -15.378 17.545 1.00 54.23 H new ATOM 0 HA CYS A 71 6.601 -17.956 16.778 1.00 23.33 H new ATOM 0 HB2 CYS A 71 9.194 -16.784 15.721 1.00 3.35 H new ATOM 0 HB3 CYS A 71 8.341 -18.196 15.127 1.00 3.35 H new ATOM 0 HG CYS A 71 7.995 -16.110 13.258 1.00 44.35 H new ATOM 1050 N GLU A 72 9.026 -19.136 17.480 1.00 13.54 N ATOM 1051 CA GLU A 72 9.929 -19.890 18.341 1.00 5.41 C ATOM 1052 C GLU A 72 11.164 -20.344 17.568 1.00 5.33 C ATOM 1053 O GLU A 72 11.057 -20.896 16.474 1.00 55.53 O ATOM 1054 CB GLU A 72 9.211 -21.103 18.934 1.00 33.21 C ATOM 1055 CG GLU A 72 8.317 -21.827 17.941 1.00 44.03 C ATOM 1056 CD GLU A 72 7.810 -23.154 18.471 1.00 14.54 C ATOM 1057 OE1 GLU A 72 8.209 -23.535 19.592 1.00 74.43 O ATOM 1058 OE2 GLU A 72 7.014 -23.810 17.767 1.00 0.43 O ATOM 0 H GLU A 72 8.912 -19.525 16.544 1.00 13.54 H new ATOM 0 HA GLU A 72 10.248 -19.235 19.151 1.00 5.41 H new ATOM 0 HB2 GLU A 72 9.954 -21.802 19.318 1.00 33.21 H new ATOM 0 HB3 GLU A 72 8.609 -20.779 19.783 1.00 33.21 H new ATOM 0 HG2 GLU A 72 7.467 -21.191 17.692 1.00 44.03 H new ATOM 0 HG3 GLU A 72 8.870 -21.997 17.017 1.00 44.03 H new ATOM 1065 N ALA A 73 12.337 -20.106 18.146 1.00 24.35 N ATOM 1066 CA ALA A 73 13.593 -20.492 17.514 1.00 52.42 C ATOM 1067 C ALA A 73 13.804 -22.000 17.587 1.00 3.14 C ATOM 1068 O ALA A 73 14.096 -22.545 18.652 1.00 4.14 O ATOM 1069 CB ALA A 73 14.758 -19.761 18.165 1.00 52.12 C ATOM 0 H ALA A 73 12.444 -19.648 19.051 1.00 24.35 H new ATOM 0 HA ALA A 73 13.544 -20.210 16.462 1.00 52.42 H new ATOM 0 HB1 ALA A 73 15.689 -20.059 17.683 1.00 52.12 H new ATOM 0 HB2 ALA A 73 14.620 -18.685 18.055 1.00 52.12 H new ATOM 0 HB3 ALA A 73 14.800 -20.014 19.224 1.00 52.12 H new ATOM 1075 N HIS A 74 13.654 -22.670 16.449 1.00 24.12 N ATOM 1076 CA HIS A 74 13.829 -24.117 16.385 1.00 2.22 C ATOM 1077 C HIS A 74 15.144 -24.475 15.699 1.00 72.42 C ATOM 1078 O HIS A 74 15.281 -24.329 14.484 1.00 1.21 O ATOM 1079 CB HIS A 74 12.659 -24.761 15.640 1.00 3.44 C ATOM 1080 CG HIS A 74 11.448 -24.971 16.496 1.00 70.34 C ATOM 1081 ND1 HIS A 74 10.206 -25.275 15.979 1.00 12.45 N ATOM 1082 CD2 HIS A 74 11.294 -24.923 17.839 1.00 13.45 C ATOM 1083 CE1 HIS A 74 9.339 -25.402 16.969 1.00 45.43 C ATOM 1084 NE2 HIS A 74 9.974 -25.193 18.108 1.00 65.30 N ATOM 0 H HIS A 74 13.412 -22.235 15.559 1.00 24.12 H new ATOM 0 HA HIS A 74 13.855 -24.501 17.405 1.00 2.22 H new ATOM 0 HB2 HIS A 74 12.389 -24.133 14.791 1.00 3.44 H new ATOM 0 HB3 HIS A 74 12.980 -25.721 15.237 1.00 3.44 H new ATOM 0 HD2 HIS A 74 12.065 -24.712 18.565 1.00 13.45 H new ATOM 0 HE1 HIS A 74 8.290 -25.637 16.864 1.00 45.43 H new ATOM 0 HE2 HIS A 74 9.553 -25.227 19.036 1.00 65.30 H new ATOM 1092 N ASP A 75 16.107 -24.945 16.484 1.00 12.32 N ATOM 1093 CA ASP A 75 17.410 -25.324 15.952 1.00 24.52 C ATOM 1094 C ASP A 75 17.258 -26.268 14.763 1.00 1.20 C ATOM 1095 O ASP A 75 18.104 -26.297 13.869 1.00 23.14 O ATOM 1096 CB ASP A 75 18.256 -25.988 17.041 1.00 74.14 C ATOM 1097 CG ASP A 75 18.496 -25.073 18.225 1.00 33.34 C ATOM 1098 OD1 ASP A 75 19.059 -23.977 18.024 1.00 14.43 O ATOM 1099 OD2 ASP A 75 18.120 -25.454 19.354 1.00 51.32 O ATOM 0 H ASP A 75 16.010 -25.073 17.491 1.00 12.32 H new ATOM 0 HA ASP A 75 17.913 -24.419 15.613 1.00 24.52 H new ATOM 0 HB2 ASP A 75 17.757 -26.895 17.382 1.00 74.14 H new ATOM 0 HB3 ASP A 75 19.214 -26.290 16.619 1.00 74.14 H new ATOM 1104 N TRP A 76 16.176 -27.037 14.760 1.00 32.30 N ATOM 1105 CA TRP A 76 15.914 -27.983 13.681 1.00 54.11 C ATOM 1106 C TRP A 76 14.421 -28.267 13.557 1.00 53.45 C ATOM 1107 O TRP A 76 13.668 -28.113 14.519 1.00 52.35 O ATOM 1108 CB TRP A 76 16.675 -29.287 13.922 1.00 32.41 C ATOM 1109 CG TRP A 76 16.233 -30.014 15.156 1.00 14.34 C ATOM 1110 CD1 TRP A 76 16.599 -29.741 16.443 1.00 0.04 C ATOM 1111 CD2 TRP A 76 15.343 -31.134 15.219 1.00 12.42 C ATOM 1112 NE1 TRP A 76 15.991 -30.624 17.303 1.00 55.14 N ATOM 1113 CE2 TRP A 76 15.214 -31.488 16.576 1.00 10.35 C ATOM 1114 CE3 TRP A 76 14.641 -31.870 14.261 1.00 32.35 C ATOM 1115 CZ2 TRP A 76 14.413 -32.546 16.996 1.00 21.35 C ATOM 1116 CZ3 TRP A 76 13.847 -32.921 14.680 1.00 55.21 C ATOM 1117 CH2 TRP A 76 13.737 -33.251 16.037 1.00 1.54 C ATOM 0 H TRP A 76 15.466 -27.025 15.492 1.00 32.30 H new ATOM 0 HA TRP A 76 16.259 -27.537 12.748 1.00 54.11 H new ATOM 0 HB2 TRP A 76 16.546 -29.940 13.059 1.00 32.41 H new ATOM 0 HB3 TRP A 76 17.740 -29.069 14.000 1.00 32.41 H new ATOM 0 HD1 TRP A 76 17.268 -28.948 16.741 1.00 0.04 H new ATOM 0 HE1 TRP A 76 16.100 -30.635 18.317 1.00 55.14 H new ATOM 0 HE3 TRP A 76 14.717 -31.622 13.213 1.00 32.35 H new ATOM 0 HZ2 TRP A 76 14.328 -32.802 18.042 1.00 21.35 H new ATOM 0 HZ3 TRP A 76 13.302 -33.498 13.948 1.00 55.21 H new ATOM 0 HH2 TRP A 76 13.107 -34.077 16.332 1.00 1.54 H new ATOM 1128 N TYR A 77 13.999 -28.681 12.367 1.00 31.53 N ATOM 1129 CA TYR A 77 12.595 -28.985 12.117 1.00 12.53 C ATOM 1130 C TYR A 77 12.435 -29.820 10.851 1.00 52.33 C ATOM 1131 O TYR A 77 13.108 -29.602 9.843 1.00 12.50 O ATOM 1132 CB TYR A 77 11.786 -27.692 11.995 1.00 43.23 C ATOM 1133 CG TYR A 77 10.487 -27.715 12.767 1.00 11.35 C ATOM 1134 CD1 TYR A 77 10.464 -28.046 14.117 1.00 54.25 C ATOM 1135 CD2 TYR A 77 9.282 -27.404 12.148 1.00 3.13 C ATOM 1136 CE1 TYR A 77 9.279 -28.069 14.826 1.00 14.31 C ATOM 1137 CE2 TYR A 77 8.093 -27.423 12.850 1.00 14.24 C ATOM 1138 CZ TYR A 77 8.096 -27.756 14.189 1.00 71.22 C ATOM 1139 OH TYR A 77 6.914 -27.776 14.892 1.00 35.44 O ATOM 0 H TYR A 77 14.609 -28.814 11.561 1.00 31.53 H new ATOM 0 HA TYR A 77 12.219 -29.563 12.961 1.00 12.53 H new ATOM 0 HB2 TYR A 77 12.394 -26.859 12.348 1.00 43.23 H new ATOM 0 HB3 TYR A 77 11.570 -27.506 10.943 1.00 43.23 H new ATOM 0 HD1 TYR A 77 11.388 -28.289 14.620 1.00 54.25 H new ATOM 0 HD2 TYR A 77 9.275 -27.143 11.100 1.00 3.13 H new ATOM 0 HE1 TYR A 77 9.278 -28.331 15.874 1.00 14.31 H new ATOM 0 HE2 TYR A 77 7.166 -27.178 12.354 1.00 14.24 H new ATOM 0 HH TYR A 77 6.175 -27.530 14.297 1.00 35.44 H new ATOM 1149 N PRO A 78 11.521 -30.800 10.901 1.00 30.34 N ATOM 1150 CA PRO A 78 11.249 -31.688 9.767 1.00 31.21 C ATOM 1151 C PRO A 78 10.553 -30.965 8.619 1.00 32.30 C ATOM 1152 O PRO A 78 9.700 -30.105 8.840 1.00 61.23 O ATOM 1153 CB PRO A 78 10.327 -32.755 10.365 1.00 45.44 C ATOM 1154 CG PRO A 78 9.669 -32.082 11.520 1.00 61.44 C ATOM 1155 CD PRO A 78 10.683 -31.117 12.070 1.00 74.33 C ATOM 0 HA PRO A 78 12.165 -32.091 9.335 1.00 31.21 H new ATOM 0 HB2 PRO A 78 9.593 -33.098 9.636 1.00 45.44 H new ATOM 0 HB3 PRO A 78 10.891 -33.631 10.686 1.00 45.44 H new ATOM 0 HG2 PRO A 78 8.765 -31.561 11.205 1.00 61.44 H new ATOM 0 HG3 PRO A 78 9.371 -32.808 12.276 1.00 61.44 H new ATOM 0 HD2 PRO A 78 10.208 -30.225 12.478 1.00 74.33 H new ATOM 0 HD3 PRO A 78 11.268 -31.563 12.874 1.00 74.33 H new ATOM 1163 N VAL A 79 10.921 -31.320 7.392 1.00 24.21 N ATOM 1164 CA VAL A 79 10.331 -30.706 6.209 1.00 70.22 C ATOM 1165 C VAL A 79 9.660 -31.751 5.324 1.00 22.13 C ATOM 1166 O VAL A 79 10.327 -32.605 4.741 1.00 3.11 O ATOM 1167 CB VAL A 79 11.388 -29.951 5.381 1.00 23.44 C ATOM 1168 CG1 VAL A 79 12.653 -30.785 5.244 1.00 45.52 C ATOM 1169 CG2 VAL A 79 10.831 -29.583 4.015 1.00 63.25 C ATOM 0 H VAL A 79 11.625 -32.030 7.192 1.00 24.21 H new ATOM 0 HA VAL A 79 9.582 -29.997 6.561 1.00 70.22 H new ATOM 0 HB VAL A 79 11.644 -29.029 5.903 1.00 23.44 H new ATOM 0 HG11 VAL A 79 13.389 -30.236 4.656 1.00 45.52 H new ATOM 0 HG12 VAL A 79 13.061 -30.993 6.233 1.00 45.52 H new ATOM 0 HG13 VAL A 79 12.417 -31.724 4.744 1.00 45.52 H new ATOM 0 HG21 VAL A 79 11.591 -29.050 3.444 1.00 63.25 H new ATOM 0 HG22 VAL A 79 10.546 -30.490 3.482 1.00 63.25 H new ATOM 0 HG23 VAL A 79 9.956 -28.945 4.139 1.00 63.25 H new ATOM 1179 N GLU A 80 8.336 -31.676 5.229 1.00 23.43 N ATOM 1180 CA GLU A 80 7.575 -32.617 4.415 1.00 2.13 C ATOM 1181 C GLU A 80 7.878 -32.422 2.932 1.00 20.14 C ATOM 1182 O GLU A 80 7.910 -31.296 2.438 1.00 1.43 O ATOM 1183 CB GLU A 80 6.076 -32.447 4.668 1.00 54.35 C ATOM 1184 CG GLU A 80 5.715 -32.336 6.139 1.00 13.23 C ATOM 1185 CD GLU A 80 4.313 -32.834 6.435 1.00 4.15 C ATOM 1186 OE1 GLU A 80 3.422 -32.642 5.582 1.00 2.23 O ATOM 1187 OE2 GLU A 80 4.109 -33.416 7.521 1.00 34.32 O ATOM 0 H GLU A 80 7.769 -30.974 5.705 1.00 23.43 H new ATOM 0 HA GLU A 80 7.872 -33.627 4.699 1.00 2.13 H new ATOM 0 HB2 GLU A 80 5.728 -31.554 4.149 1.00 54.35 H new ATOM 0 HB3 GLU A 80 5.545 -33.295 4.235 1.00 54.35 H new ATOM 0 HG2 GLU A 80 6.432 -32.907 6.729 1.00 13.23 H new ATOM 0 HG3 GLU A 80 5.801 -31.296 6.453 1.00 13.23 H new ATOM 1194 N GLU A 81 8.100 -33.528 2.229 1.00 31.34 N ATOM 1195 CA GLU A 81 8.402 -33.479 0.804 1.00 55.14 C ATOM 1196 C GLU A 81 7.376 -32.628 0.060 1.00 71.43 C ATOM 1197 O GLU A 81 6.270 -33.084 -0.235 1.00 45.05 O ATOM 1198 CB GLU A 81 8.431 -34.892 0.217 1.00 51.44 C ATOM 1199 CG GLU A 81 8.419 -34.920 -1.303 1.00 3.15 C ATOM 1200 CD GLU A 81 9.449 -35.873 -1.876 1.00 65.32 C ATOM 1201 OE1 GLU A 81 9.818 -36.839 -1.175 1.00 44.12 O ATOM 1202 OE2 GLU A 81 9.887 -35.654 -3.025 1.00 32.00 O ATOM 0 H GLU A 81 8.076 -34.468 2.623 1.00 31.34 H new ATOM 0 HA GLU A 81 9.384 -33.023 0.682 1.00 55.14 H new ATOM 0 HB2 GLU A 81 9.323 -35.407 0.574 1.00 51.44 H new ATOM 0 HB3 GLU A 81 7.571 -35.449 0.589 1.00 51.44 H new ATOM 0 HG2 GLU A 81 7.427 -35.211 -1.650 1.00 3.15 H new ATOM 0 HG3 GLU A 81 8.607 -33.916 -1.683 1.00 3.15 H new ATOM 1209 N THR A 82 7.750 -31.388 -0.241 1.00 21.54 N ATOM 1210 CA THR A 82 6.864 -30.473 -0.948 1.00 51.10 C ATOM 1211 C THR A 82 7.512 -29.104 -1.120 1.00 54.31 C ATOM 1212 O THR A 82 8.640 -28.882 -0.682 1.00 12.05 O ATOM 1213 CB THR A 82 5.523 -30.305 -0.208 1.00 43.33 C ATOM 1214 OG1 THR A 82 5.633 -30.812 1.126 1.00 21.32 O ATOM 1215 CG2 THR A 82 4.406 -31.030 -0.942 1.00 33.50 C ATOM 0 H THR A 82 8.661 -30.995 -0.006 1.00 21.54 H new ATOM 0 HA THR A 82 6.676 -30.909 -1.929 1.00 51.10 H new ATOM 0 HB THR A 82 5.283 -29.242 -0.173 1.00 43.33 H new ATOM 0 HG1 THR A 82 6.504 -30.563 1.500 1.00 21.32 H new ATOM 0 HG21 THR A 82 3.469 -30.897 -0.401 1.00 33.50 H new ATOM 0 HG22 THR A 82 4.306 -30.621 -1.947 1.00 33.50 H new ATOM 0 HG23 THR A 82 4.641 -32.092 -1.005 1.00 33.50 H new ATOM 1223 N GLN A 83 6.790 -28.189 -1.760 1.00 62.21 N ATOM 1224 CA GLN A 83 7.296 -26.841 -1.989 1.00 62.15 C ATOM 1225 C GLN A 83 8.419 -26.849 -3.021 1.00 63.32 C ATOM 1226 O GLN A 83 8.242 -26.391 -4.150 1.00 60.32 O ATOM 1227 CB GLN A 83 7.796 -26.231 -0.679 1.00 23.53 C ATOM 1228 CG GLN A 83 6.887 -26.509 0.507 1.00 30.24 C ATOM 1229 CD GLN A 83 7.079 -25.515 1.635 1.00 13.34 C ATOM 1230 OE1 GLN A 83 7.355 -25.895 2.774 1.00 55.04 O ATOM 1231 NE2 GLN A 83 6.934 -24.232 1.325 1.00 54.21 N ATOM 0 H GLN A 83 5.854 -28.357 -2.129 1.00 62.21 H new ATOM 0 HA GLN A 83 6.477 -26.234 -2.375 1.00 62.15 H new ATOM 0 HB2 GLN A 83 8.791 -26.620 -0.463 1.00 23.53 H new ATOM 0 HB3 GLN A 83 7.896 -25.153 -0.805 1.00 23.53 H new ATOM 0 HG2 GLN A 83 5.848 -26.483 0.178 1.00 30.24 H new ATOM 0 HG3 GLN A 83 7.078 -27.516 0.878 1.00 30.24 H new ATOM 0 HE21 GLN A 83 6.705 -23.961 0.369 1.00 54.21 H new ATOM 0 HE22 GLN A 83 7.052 -23.517 2.043 1.00 54.21 H new ATOM 1240 N TYR A 84 9.575 -27.372 -2.626 1.00 73.32 N ATOM 1241 CA TYR A 84 10.728 -27.438 -3.516 1.00 0.50 C ATOM 1242 C TYR A 84 11.836 -28.293 -2.910 1.00 21.33 C ATOM 1243 O TYR A 84 13.019 -28.077 -3.175 1.00 72.23 O ATOM 1244 CB TYR A 84 11.255 -26.031 -3.806 1.00 22.22 C ATOM 1245 CG TYR A 84 12.197 -25.969 -4.987 1.00 71.11 C ATOM 1246 CD1 TYR A 84 11.836 -26.504 -6.217 1.00 61.44 C ATOM 1247 CD2 TYR A 84 13.447 -25.374 -4.873 1.00 43.21 C ATOM 1248 CE1 TYR A 84 12.694 -26.450 -7.299 1.00 33.50 C ATOM 1249 CE2 TYR A 84 14.311 -25.314 -5.950 1.00 32.02 C ATOM 1250 CZ TYR A 84 13.930 -25.854 -7.160 1.00 73.14 C ATOM 1251 OH TYR A 84 14.786 -25.797 -8.236 1.00 22.12 O ATOM 0 H TYR A 84 9.738 -27.756 -1.695 1.00 73.32 H new ATOM 0 HA TYR A 84 10.408 -27.899 -4.450 1.00 0.50 H new ATOM 0 HB2 TYR A 84 10.411 -25.367 -3.990 1.00 22.22 H new ATOM 0 HB3 TYR A 84 11.769 -25.655 -2.921 1.00 22.22 H new ATOM 0 HD1 TYR A 84 10.868 -26.970 -6.330 1.00 61.44 H new ATOM 0 HD2 TYR A 84 13.749 -24.951 -3.926 1.00 43.21 H new ATOM 0 HE1 TYR A 84 12.398 -26.872 -8.248 1.00 33.50 H new ATOM 0 HE2 TYR A 84 15.279 -24.847 -5.844 1.00 32.02 H new ATOM 0 HH TYR A 84 15.614 -25.344 -7.972 1.00 22.12 H new ATOM 1261 N TYR A 85 11.444 -29.266 -2.095 1.00 0.05 N ATOM 1262 CA TYR A 85 12.403 -30.154 -1.448 1.00 74.42 C ATOM 1263 C TYR A 85 11.701 -31.370 -0.850 1.00 63.11 C ATOM 1264 O TYR A 85 10.622 -31.272 -0.266 1.00 40.50 O ATOM 1265 CB TYR A 85 13.168 -29.405 -0.356 1.00 64.25 C ATOM 1266 CG TYR A 85 14.660 -29.652 -0.385 1.00 31.02 C ATOM 1267 CD1 TYR A 85 15.464 -29.057 -1.349 1.00 24.13 C ATOM 1268 CD2 TYR A 85 15.265 -30.480 0.553 1.00 14.33 C ATOM 1269 CE1 TYR A 85 16.827 -29.281 -1.379 1.00 3.44 C ATOM 1270 CE2 TYR A 85 16.627 -30.708 0.532 1.00 40.21 C ATOM 1271 CZ TYR A 85 17.404 -30.106 -0.436 1.00 71.43 C ATOM 1272 OH TYR A 85 18.761 -30.330 -0.462 1.00 24.41 O ATOM 0 H TYR A 85 10.469 -29.460 -1.867 1.00 0.05 H new ATOM 0 HA TYR A 85 13.108 -30.499 -2.204 1.00 74.42 H new ATOM 0 HB2 TYR A 85 12.983 -28.336 -0.462 1.00 64.25 H new ATOM 0 HB3 TYR A 85 12.778 -29.701 0.618 1.00 64.25 H new ATOM 0 HD1 TYR A 85 15.016 -28.408 -2.087 1.00 24.13 H new ATOM 0 HD2 TYR A 85 14.659 -30.953 1.312 1.00 14.33 H new ATOM 0 HE1 TYR A 85 17.438 -28.813 -2.137 1.00 3.44 H new ATOM 0 HE2 TYR A 85 17.081 -31.354 1.269 1.00 40.21 H new ATOM 0 HH TYR A 85 19.007 -30.933 0.270 1.00 24.41 H new ATOM 1282 N PRO A 86 12.329 -32.546 -0.998 1.00 62.21 N ATOM 1283 CA PRO A 86 11.785 -33.805 -0.479 1.00 4.41 C ATOM 1284 C PRO A 86 11.820 -33.866 1.044 1.00 21.53 C ATOM 1285 O PRO A 86 12.151 -32.884 1.709 1.00 71.13 O ATOM 1286 CB PRO A 86 12.712 -34.865 -1.078 1.00 71.44 C ATOM 1287 CG PRO A 86 13.994 -34.150 -1.329 1.00 64.13 C ATOM 1288 CD PRO A 86 13.618 -32.738 -1.683 1.00 45.22 C ATOM 0 HA PRO A 86 10.736 -33.937 -0.745 1.00 4.41 H new ATOM 0 HB2 PRO A 86 12.853 -35.701 -0.392 1.00 71.44 H new ATOM 0 HB3 PRO A 86 12.300 -35.275 -2.000 1.00 71.44 H new ATOM 0 HG2 PRO A 86 14.633 -34.174 -0.447 1.00 64.13 H new ATOM 0 HG3 PRO A 86 14.551 -34.620 -2.139 1.00 64.13 H new ATOM 0 HD2 PRO A 86 14.366 -32.024 -1.338 1.00 45.22 H new ATOM 0 HD3 PRO A 86 13.524 -32.605 -2.761 1.00 45.22 H new ATOM 1296 N LYS A 87 11.477 -35.027 1.593 1.00 70.14 N ATOM 1297 CA LYS A 87 11.470 -35.219 3.038 1.00 3.30 C ATOM 1298 C LYS A 87 12.882 -35.118 3.607 1.00 61.23 C ATOM 1299 O LYS A 87 13.820 -35.716 3.077 1.00 15.11 O ATOM 1300 CB LYS A 87 10.863 -36.578 3.390 1.00 32.51 C ATOM 1301 CG LYS A 87 10.613 -36.767 4.876 1.00 5.25 C ATOM 1302 CD LYS A 87 9.203 -37.263 5.147 1.00 60.12 C ATOM 1303 CE LYS A 87 8.182 -36.144 5.008 1.00 22.13 C ATOM 1304 NZ LYS A 87 6.855 -36.532 5.561 1.00 21.40 N ATOM 0 H LYS A 87 11.200 -35.850 1.058 1.00 70.14 H new ATOM 0 HA LYS A 87 10.861 -34.431 3.481 1.00 3.30 H new ATOM 0 HB2 LYS A 87 9.921 -36.695 2.854 1.00 32.51 H new ATOM 0 HB3 LYS A 87 11.530 -37.366 3.039 1.00 32.51 H new ATOM 0 HG2 LYS A 87 11.333 -37.479 5.279 1.00 5.25 H new ATOM 0 HG3 LYS A 87 10.773 -35.822 5.396 1.00 5.25 H new ATOM 0 HD2 LYS A 87 8.959 -38.067 4.453 1.00 60.12 H new ATOM 0 HD3 LYS A 87 9.150 -37.682 6.152 1.00 60.12 H new ATOM 0 HE2 LYS A 87 8.545 -35.255 5.524 1.00 22.13 H new ATOM 0 HE3 LYS A 87 8.074 -35.880 3.956 1.00 22.13 H new ATOM 0 HZ1 LYS A 87 6.187 -35.743 5.447 1.00 21.40 H new ATOM 0 HZ2 LYS A 87 6.497 -37.365 5.052 1.00 21.40 H new ATOM 0 HZ3 LYS A 87 6.953 -36.760 6.571 1.00 21.40 H new ATOM 1318 N HIS A 88 13.027 -34.360 4.689 1.00 53.01 N ATOM 1319 CA HIS A 88 14.325 -34.183 5.331 1.00 74.43 C ATOM 1320 C HIS A 88 14.206 -33.284 6.558 1.00 60.52 C ATOM 1321 O HIS A 88 13.103 -33.002 7.028 1.00 64.12 O ATOM 1322 CB HIS A 88 15.329 -33.588 4.343 1.00 32.23 C ATOM 1323 CG HIS A 88 16.651 -34.292 4.336 1.00 11.23 C ATOM 1324 ND1 HIS A 88 16.773 -35.665 4.352 1.00 33.32 N ATOM 1325 CD2 HIS A 88 17.913 -33.804 4.313 1.00 3.13 C ATOM 1326 CE1 HIS A 88 18.053 -35.992 4.341 1.00 13.31 C ATOM 1327 NE2 HIS A 88 18.766 -34.880 4.317 1.00 70.30 N ATOM 0 H HIS A 88 12.262 -33.858 5.140 1.00 53.01 H new ATOM 0 HA HIS A 88 14.680 -35.162 5.653 1.00 74.43 H new ATOM 0 HB2 HIS A 88 14.903 -33.622 3.340 1.00 32.23 H new ATOM 0 HB3 HIS A 88 15.487 -32.537 4.587 1.00 32.23 H new ATOM 0 HD2 HIS A 88 18.197 -32.762 4.295 1.00 3.13 H new ATOM 0 HE1 HIS A 88 18.449 -36.997 4.350 1.00 13.31 H new ATOM 0 HE2 HIS A 88 19.785 -34.829 4.304 1.00 70.30 H new ATOM 1335 N ILE A 89 15.348 -32.839 7.072 1.00 74.34 N ATOM 1336 CA ILE A 89 15.371 -31.973 8.243 1.00 12.43 C ATOM 1337 C ILE A 89 16.045 -30.642 7.929 1.00 4.43 C ATOM 1338 O ILE A 89 17.037 -30.594 7.202 1.00 21.13 O ATOM 1339 CB ILE A 89 16.102 -32.640 9.423 1.00 61.21 C ATOM 1340 CG1 ILE A 89 15.523 -34.031 9.689 1.00 61.32 C ATOM 1341 CG2 ILE A 89 16.002 -31.772 10.668 1.00 12.11 C ATOM 1342 CD1 ILE A 89 14.060 -34.013 10.074 1.00 25.42 C ATOM 0 H ILE A 89 16.269 -33.064 6.695 1.00 74.34 H new ATOM 0 HA ILE A 89 14.333 -31.795 8.524 1.00 12.43 H new ATOM 0 HB ILE A 89 17.155 -32.748 9.164 1.00 61.21 H new ATOM 0 HG12 ILE A 89 15.648 -34.644 8.797 1.00 61.32 H new ATOM 0 HG13 ILE A 89 16.094 -34.507 10.486 1.00 61.32 H new ATOM 0 HG21 ILE A 89 16.524 -32.257 11.493 1.00 12.11 H new ATOM 0 HG22 ILE A 89 16.457 -30.801 10.472 1.00 12.11 H new ATOM 0 HG23 ILE A 89 14.954 -31.635 10.932 1.00 12.11 H new ATOM 0 HD11 ILE A 89 13.717 -35.033 10.248 1.00 25.42 H new ATOM 0 HD12 ILE A 89 13.930 -33.427 10.984 1.00 25.42 H new ATOM 0 HD13 ILE A 89 13.477 -33.566 9.268 1.00 25.42 H new ATOM 1354 N GLN A 90 15.501 -29.563 8.484 1.00 61.31 N ATOM 1355 CA GLN A 90 16.052 -28.231 8.264 1.00 74.14 C ATOM 1356 C GLN A 90 16.601 -27.648 9.561 1.00 13.52 C ATOM 1357 O GLN A 90 16.534 -28.280 10.615 1.00 30.33 O ATOM 1358 CB GLN A 90 14.981 -27.303 7.686 1.00 65.32 C ATOM 1359 CG GLN A 90 14.526 -27.695 6.289 1.00 3.22 C ATOM 1360 CD GLN A 90 13.780 -26.579 5.585 1.00 73.44 C ATOM 1361 OE1 GLN A 90 13.039 -25.821 6.210 1.00 11.43 O ATOM 1362 NE2 GLN A 90 13.971 -26.474 4.275 1.00 43.32 N ATOM 0 H GLN A 90 14.680 -29.585 9.089 1.00 61.31 H new ATOM 0 HA GLN A 90 16.872 -28.317 7.551 1.00 74.14 H new ATOM 0 HB2 GLN A 90 14.118 -27.298 8.352 1.00 65.32 H new ATOM 0 HB3 GLN A 90 15.370 -26.285 7.660 1.00 65.32 H new ATOM 0 HG2 GLN A 90 15.394 -27.978 5.694 1.00 3.22 H new ATOM 0 HG3 GLN A 90 13.883 -28.573 6.353 1.00 3.22 H new ATOM 0 HE21 GLN A 90 14.595 -27.124 3.797 1.00 43.32 H new ATOM 0 HE22 GLN A 90 13.494 -25.743 3.747 1.00 43.32 H new ATOM 1371 N TYR A 91 17.143 -26.438 9.477 1.00 63.10 N ATOM 1372 CA TYR A 91 17.707 -25.770 10.644 1.00 32.12 C ATOM 1373 C TYR A 91 17.362 -24.284 10.641 1.00 42.14 C ATOM 1374 O TYR A 91 17.050 -23.710 9.598 1.00 34.51 O ATOM 1375 CB TYR A 91 19.225 -25.953 10.679 1.00 0.11 C ATOM 1376 CG TYR A 91 19.659 -27.334 11.117 1.00 53.41 C ATOM 1377 CD1 TYR A 91 19.488 -28.433 10.285 1.00 63.15 C ATOM 1378 CD2 TYR A 91 20.238 -27.539 12.363 1.00 71.00 C ATOM 1379 CE1 TYR A 91 19.882 -29.697 10.680 1.00 4.34 C ATOM 1380 CE2 TYR A 91 20.636 -28.799 12.767 1.00 43.44 C ATOM 1381 CZ TYR A 91 20.456 -29.874 11.922 1.00 23.20 C ATOM 1382 OH TYR A 91 20.851 -31.131 12.321 1.00 55.20 O ATOM 0 H TYR A 91 17.204 -25.900 8.613 1.00 63.10 H new ATOM 0 HA TYR A 91 17.273 -26.223 11.535 1.00 32.12 H new ATOM 0 HB2 TYR A 91 19.630 -25.752 9.687 1.00 0.11 H new ATOM 0 HB3 TYR A 91 19.656 -25.214 11.355 1.00 0.11 H new ATOM 0 HD1 TYR A 91 19.039 -28.297 9.312 1.00 63.15 H new ATOM 0 HD2 TYR A 91 20.379 -26.699 13.027 1.00 71.00 H new ATOM 0 HE1 TYR A 91 19.742 -30.541 10.021 1.00 4.34 H new ATOM 0 HE2 TYR A 91 21.085 -28.941 13.739 1.00 43.44 H new ATOM 0 HH TYR A 91 21.237 -31.082 13.221 1.00 55.20 H new ATOM 1392 N ASN A 92 17.423 -23.666 11.816 1.00 74.40 N ATOM 1393 CA ASN A 92 17.117 -22.247 11.950 1.00 43.40 C ATOM 1394 C ASN A 92 15.692 -21.951 11.492 1.00 22.14 C ATOM 1395 O ASN A 92 15.465 -21.070 10.662 1.00 61.54 O ATOM 1396 CB ASN A 92 18.109 -21.411 11.138 1.00 62.52 C ATOM 1397 CG ASN A 92 19.427 -22.129 10.920 1.00 61.41 C ATOM 1398 OD1 ASN A 92 19.794 -22.447 9.788 1.00 1.15 O ATOM 1399 ND2 ASN A 92 20.146 -22.389 12.006 1.00 71.01 N ATOM 0 H ASN A 92 17.682 -24.126 12.689 1.00 74.40 H new ATOM 0 HA ASN A 92 17.204 -21.981 13.003 1.00 43.40 H new ATOM 0 HB2 ASN A 92 17.668 -21.166 10.172 1.00 62.52 H new ATOM 0 HB3 ASN A 92 18.293 -20.468 11.653 1.00 62.52 H new ATOM 0 HD21 ASN A 92 21.041 -22.871 11.922 1.00 71.01 H new ATOM 0 HD22 ASN A 92 19.803 -22.107 12.924 1.00 71.01 H new ATOM 1406 N LEU A 93 14.735 -22.692 12.040 1.00 24.02 N ATOM 1407 CA LEU A 93 13.331 -22.510 11.689 1.00 1.44 C ATOM 1408 C LEU A 93 12.602 -21.707 12.762 1.00 52.43 C ATOM 1409 O LEU A 93 12.753 -21.965 13.957 1.00 62.14 O ATOM 1410 CB LEU A 93 12.651 -23.867 11.502 1.00 24.10 C ATOM 1411 CG LEU A 93 12.779 -24.496 10.114 1.00 53.31 C ATOM 1412 CD1 LEU A 93 11.684 -23.981 9.192 1.00 32.05 C ATOM 1413 CD2 LEU A 93 14.152 -24.211 9.524 1.00 62.53 C ATOM 0 H LEU A 93 14.906 -23.424 12.729 1.00 24.02 H new ATOM 0 HA LEU A 93 13.285 -21.956 10.752 1.00 1.44 H new ATOM 0 HB2 LEU A 93 13.064 -24.562 12.233 1.00 24.10 H new ATOM 0 HB3 LEU A 93 11.591 -23.755 11.732 1.00 24.10 H new ATOM 0 HG LEU A 93 12.665 -25.575 10.213 1.00 53.31 H new ATOM 0 HD11 LEU A 93 11.791 -24.439 8.209 1.00 32.05 H new ATOM 0 HD12 LEU A 93 10.709 -24.236 9.607 1.00 32.05 H new ATOM 0 HD13 LEU A 93 11.767 -22.898 9.098 1.00 32.05 H new ATOM 0 HD21 LEU A 93 14.225 -24.666 8.536 1.00 62.53 H new ATOM 0 HD22 LEU A 93 14.295 -23.134 9.439 1.00 62.53 H new ATOM 0 HD23 LEU A 93 14.921 -24.629 10.174 1.00 62.53 H new ATOM 1425 N LEU A 94 11.809 -20.733 12.328 1.00 71.34 N ATOM 1426 CA LEU A 94 11.053 -19.893 13.250 1.00 23.13 C ATOM 1427 C LEU A 94 9.553 -20.062 13.036 1.00 54.44 C ATOM 1428 O LEU A 94 8.967 -19.431 12.155 1.00 41.11 O ATOM 1429 CB LEU A 94 11.444 -18.425 13.071 1.00 60.11 C ATOM 1430 CG LEU A 94 12.471 -17.878 14.063 1.00 14.32 C ATOM 1431 CD1 LEU A 94 11.810 -17.567 15.397 1.00 2.05 C ATOM 1432 CD2 LEU A 94 13.613 -18.866 14.249 1.00 73.03 C ATOM 0 H LEU A 94 11.673 -20.506 11.343 1.00 71.34 H new ATOM 0 HA LEU A 94 11.293 -20.205 14.267 1.00 23.13 H new ATOM 0 HB2 LEU A 94 11.837 -18.295 12.063 1.00 60.11 H new ATOM 0 HB3 LEU A 94 10.541 -17.818 13.142 1.00 60.11 H new ATOM 0 HG LEU A 94 12.881 -16.953 13.659 1.00 14.32 H new ATOM 0 HD11 LEU A 94 12.556 -17.179 16.091 1.00 2.05 H new ATOM 0 HD12 LEU A 94 11.028 -16.822 15.251 1.00 2.05 H new ATOM 0 HD13 LEU A 94 11.372 -18.477 15.807 1.00 2.05 H new ATOM 0 HD21 LEU A 94 14.334 -18.459 14.958 1.00 73.03 H new ATOM 0 HD22 LEU A 94 13.220 -19.808 14.631 1.00 73.03 H new ATOM 0 HD23 LEU A 94 14.104 -19.039 13.291 1.00 73.03 H new ATOM 1444 N ILE A 95 8.936 -20.914 13.847 1.00 22.21 N ATOM 1445 CA ILE A 95 7.503 -21.163 13.748 1.00 43.52 C ATOM 1446 C ILE A 95 6.718 -20.219 14.652 1.00 11.22 C ATOM 1447 O ILE A 95 7.090 -19.991 15.802 1.00 23.14 O ATOM 1448 CB ILE A 95 7.157 -22.617 14.118 1.00 50.21 C ATOM 1449 CG1 ILE A 95 7.538 -23.561 12.976 1.00 60.21 C ATOM 1450 CG2 ILE A 95 5.676 -22.742 14.444 1.00 23.13 C ATOM 1451 CD1 ILE A 95 6.627 -23.454 11.773 1.00 13.24 C ATOM 0 H ILE A 95 9.406 -21.444 14.581 1.00 22.21 H new ATOM 0 HA ILE A 95 7.223 -20.985 12.710 1.00 43.52 H new ATOM 0 HB ILE A 95 7.729 -22.898 15.002 1.00 50.21 H new ATOM 0 HG12 ILE A 95 8.561 -23.349 12.666 1.00 60.21 H new ATOM 0 HG13 ILE A 95 7.522 -24.587 13.343 1.00 60.21 H new ATOM 0 HG21 ILE A 95 5.447 -23.775 14.704 1.00 23.13 H new ATOM 0 HG22 ILE A 95 5.433 -22.094 15.286 1.00 23.13 H new ATOM 0 HG23 ILE A 95 5.086 -22.446 13.576 1.00 23.13 H new ATOM 0 HD11 ILE A 95 6.957 -24.152 11.003 1.00 13.24 H new ATOM 0 HD12 ILE A 95 5.606 -23.695 12.067 1.00 13.24 H new ATOM 0 HD13 ILE A 95 6.661 -22.438 11.380 1.00 13.24 H new ATOM 1463 N GLY A 96 5.627 -19.673 14.124 1.00 75.11 N ATOM 1464 CA GLY A 96 4.804 -18.761 14.898 1.00 60.55 C ATOM 1465 C GLY A 96 3.322 -19.022 14.716 1.00 32.03 C ATOM 1466 O GLY A 96 2.919 -20.129 14.361 1.00 42.05 O ATOM 0 H GLY A 96 5.298 -19.846 13.174 1.00 75.11 H new ATOM 0 HA2 GLY A 96 5.059 -18.853 15.954 1.00 60.55 H new ATOM 0 HA3 GLY A 96 5.028 -17.736 14.604 1.00 60.55 H new ATOM 1470 N GLU A 97 2.508 -18.000 14.963 1.00 23.02 N ATOM 1471 CA GLU A 97 1.062 -18.126 14.827 1.00 11.23 C ATOM 1472 C GLU A 97 0.514 -17.084 13.856 1.00 0.24 C ATOM 1473 O GLU A 97 0.225 -15.952 14.242 1.00 51.24 O ATOM 1474 CB GLU A 97 0.384 -17.974 16.191 1.00 61.52 C ATOM 1475 CG GLU A 97 -0.986 -18.628 16.266 1.00 65.15 C ATOM 1476 CD GLU A 97 -1.603 -18.533 17.647 1.00 3.13 C ATOM 1477 OE1 GLU A 97 -1.589 -17.427 18.227 1.00 14.14 O ATOM 1478 OE2 GLU A 97 -2.098 -19.563 18.149 1.00 74.54 O ATOM 0 H GLU A 97 2.825 -17.077 15.258 1.00 23.02 H new ATOM 0 HA GLU A 97 0.845 -19.118 14.430 1.00 11.23 H new ATOM 0 HB2 GLU A 97 1.027 -18.408 16.957 1.00 61.52 H new ATOM 0 HB3 GLU A 97 0.284 -16.913 16.422 1.00 61.52 H new ATOM 0 HG2 GLU A 97 -1.650 -18.155 15.542 1.00 65.15 H new ATOM 0 HG3 GLU A 97 -0.900 -19.677 15.982 1.00 65.15 H new ATOM 1485 N GLY A 98 0.375 -17.476 12.593 1.00 13.43 N ATOM 1486 CA GLY A 98 -0.137 -16.565 11.586 1.00 0.42 C ATOM 1487 C GLY A 98 -1.249 -17.180 10.759 1.00 4.44 C ATOM 1488 O GLY A 98 -1.488 -18.386 10.802 1.00 34.42 O ATOM 0 H GLY A 98 0.608 -18.408 12.249 1.00 13.43 H new ATOM 0 HA2 GLY A 98 -0.507 -15.662 12.072 1.00 0.42 H new ATOM 0 HA3 GLY A 98 0.677 -16.262 10.927 1.00 0.42 H new ATOM 1492 N PRO A 99 -1.951 -16.338 9.986 1.00 20.30 N ATOM 1493 CA PRO A 99 -3.056 -16.784 9.132 1.00 41.21 C ATOM 1494 C PRO A 99 -2.575 -17.622 7.952 1.00 32.35 C ATOM 1495 O PRO A 99 -3.355 -18.353 7.339 1.00 3.43 O ATOM 1496 CB PRO A 99 -3.674 -15.473 8.639 1.00 33.04 C ATOM 1497 CG PRO A 99 -2.565 -14.481 8.710 1.00 52.10 C ATOM 1498 CD PRO A 99 -1.720 -14.887 9.885 1.00 31.45 C ATOM 0 HA PRO A 99 -3.754 -17.425 9.670 1.00 41.21 H new ATOM 0 HB2 PRO A 99 -4.052 -15.572 7.622 1.00 33.04 H new ATOM 0 HB3 PRO A 99 -4.515 -15.172 9.264 1.00 33.04 H new ATOM 0 HG2 PRO A 99 -1.980 -14.483 7.790 1.00 52.10 H new ATOM 0 HG3 PRO A 99 -2.953 -13.471 8.839 1.00 52.10 H new ATOM 0 HD2 PRO A 99 -0.667 -14.658 9.721 1.00 31.45 H new ATOM 0 HD3 PRO A 99 -2.021 -14.368 10.795 1.00 31.45 H new ATOM 1506 N CYS A 100 -1.289 -17.513 7.640 1.00 23.05 N ATOM 1507 CA CYS A 100 -0.704 -18.262 6.533 1.00 12.44 C ATOM 1508 C CYS A 100 -1.527 -18.083 5.262 1.00 40.44 C ATOM 1509 O CYS A 100 -2.117 -19.035 4.752 1.00 63.52 O ATOM 1510 CB CYS A 100 -0.608 -19.746 6.889 1.00 73.15 C ATOM 1511 SG CYS A 100 0.084 -20.070 8.527 1.00 14.34 S ATOM 0 H CYS A 100 -0.631 -16.913 8.138 1.00 23.05 H new ATOM 0 HA CYS A 100 0.299 -17.874 6.353 1.00 12.44 H new ATOM 0 HB2 CYS A 100 -1.603 -20.187 6.833 1.00 73.15 H new ATOM 0 HB3 CYS A 100 0.006 -20.249 6.141 1.00 73.15 H new ATOM 0 HG CYS A 100 -0.552 -19.363 9.414 1.00 14.34 H new ATOM 1517 N VAL A 101 -1.564 -16.854 4.755 1.00 65.44 N ATOM 1518 CA VAL A 101 -2.315 -16.550 3.543 1.00 44.34 C ATOM 1519 C VAL A 101 -1.654 -17.170 2.316 1.00 12.24 C ATOM 1520 O VAL A 101 -0.441 -17.375 2.271 1.00 71.02 O ATOM 1521 CB VAL A 101 -2.443 -15.030 3.329 1.00 13.33 C ATOM 1522 CG1 VAL A 101 -2.933 -14.352 4.600 1.00 53.34 C ATOM 1523 CG2 VAL A 101 -1.115 -14.441 2.879 1.00 2.03 C ATOM 0 H VAL A 101 -1.083 -16.054 5.165 1.00 65.44 H new ATOM 0 HA VAL A 101 -3.309 -16.977 3.672 1.00 44.34 H new ATOM 0 HB VAL A 101 -3.177 -14.852 2.544 1.00 13.33 H new ATOM 0 HG11 VAL A 101 -3.018 -13.279 4.430 1.00 53.34 H new ATOM 0 HG12 VAL A 101 -3.908 -14.754 4.874 1.00 53.34 H new ATOM 0 HG13 VAL A 101 -2.225 -14.537 5.407 1.00 53.34 H new ATOM 0 HG21 VAL A 101 -1.224 -13.366 2.733 1.00 2.03 H new ATOM 0 HG22 VAL A 101 -0.357 -14.628 3.640 1.00 2.03 H new ATOM 0 HG23 VAL A 101 -0.810 -14.906 1.941 1.00 2.03 H new ATOM 1533 N PRO A 102 -2.470 -17.476 1.296 1.00 3.14 N ATOM 1534 CA PRO A 102 -1.987 -18.076 0.049 1.00 23.44 C ATOM 1535 C PRO A 102 -1.156 -17.103 -0.779 1.00 4.30 C ATOM 1536 O PRO A 102 -1.578 -16.665 -1.849 1.00 24.15 O ATOM 1537 CB PRO A 102 -3.276 -18.443 -0.690 1.00 43.03 C ATOM 1538 CG PRO A 102 -4.300 -17.504 -0.154 1.00 34.12 C ATOM 1539 CD PRO A 102 -3.926 -17.259 1.282 1.00 51.12 C ATOM 0 HA PRO A 102 -1.329 -18.925 0.233 1.00 23.44 H new ATOM 0 HB2 PRO A 102 -3.160 -18.330 -1.768 1.00 43.03 H new ATOM 0 HB3 PRO A 102 -3.556 -19.480 -0.507 1.00 43.03 H new ATOM 0 HG2 PRO A 102 -4.309 -16.572 -0.719 1.00 34.12 H new ATOM 0 HG3 PRO A 102 -5.300 -17.932 -0.229 1.00 34.12 H new ATOM 0 HD2 PRO A 102 -4.185 -16.248 1.598 1.00 51.12 H new ATOM 0 HD3 PRO A 102 -4.441 -17.945 1.954 1.00 51.12 H new ATOM 1547 N GLY A 103 0.029 -16.767 -0.277 1.00 63.44 N ATOM 1548 CA GLY A 103 0.901 -15.848 -0.985 1.00 10.42 C ATOM 1549 C GLY A 103 1.651 -14.922 -0.047 1.00 73.21 C ATOM 1550 O GLY A 103 1.842 -13.744 -0.348 1.00 54.23 O ATOM 0 H GLY A 103 0.400 -17.115 0.607 1.00 63.44 H new ATOM 0 HA2 GLY A 103 1.617 -16.416 -1.579 1.00 10.42 H new ATOM 0 HA3 GLY A 103 0.309 -15.254 -1.681 1.00 10.42 H new ATOM 1554 N ASP A 104 2.075 -15.455 1.093 1.00 24.31 N ATOM 1555 CA ASP A 104 2.808 -14.669 2.079 1.00 40.13 C ATOM 1556 C ASP A 104 4.302 -14.969 2.012 1.00 62.33 C ATOM 1557 O ASP A 104 5.116 -14.256 2.598 1.00 54.43 O ATOM 1558 CB ASP A 104 2.280 -14.955 3.485 1.00 2.04 C ATOM 1559 CG ASP A 104 2.024 -16.431 3.719 1.00 43.03 C ATOM 1560 OD1 ASP A 104 2.687 -17.259 3.060 1.00 40.13 O ATOM 1561 OD2 ASP A 104 1.161 -16.758 4.560 1.00 73.14 O ATOM 0 H ASP A 104 1.924 -16.428 1.358 1.00 24.31 H new ATOM 0 HA ASP A 104 2.658 -13.614 1.851 1.00 40.13 H new ATOM 0 HB2 ASP A 104 2.999 -14.593 4.220 1.00 2.04 H new ATOM 0 HB3 ASP A 104 1.355 -14.400 3.643 1.00 2.04 H new ATOM 1566 N ALA A 105 4.656 -16.031 1.294 1.00 14.24 N ATOM 1567 CA ALA A 105 6.051 -16.425 1.150 1.00 4.02 C ATOM 1568 C ALA A 105 6.927 -15.226 0.801 1.00 22.44 C ATOM 1569 O ALA A 105 6.728 -14.577 -0.224 1.00 71.14 O ATOM 1570 CB ALA A 105 6.187 -17.507 0.089 1.00 3.01 C ATOM 0 H ALA A 105 3.995 -16.633 0.803 1.00 14.24 H new ATOM 0 HA ALA A 105 6.391 -16.824 2.106 1.00 4.02 H new ATOM 0 HB1 ALA A 105 7.235 -17.792 -0.008 1.00 3.01 H new ATOM 0 HB2 ALA A 105 5.600 -18.378 0.380 1.00 3.01 H new ATOM 0 HB3 ALA A 105 5.824 -17.128 -0.866 1.00 3.01 H new ATOM 1576 N GLY A 106 7.898 -14.938 1.663 1.00 40.30 N ATOM 1577 CA GLY A 106 8.789 -13.817 1.428 1.00 1.41 C ATOM 1578 C GLY A 106 8.664 -12.744 2.491 1.00 15.44 C ATOM 1579 O GLY A 106 9.442 -11.791 2.517 1.00 31.22 O ATOM 0 H GLY A 106 8.083 -15.461 2.519 1.00 40.30 H new ATOM 0 HA2 GLY A 106 9.818 -14.175 1.397 1.00 1.41 H new ATOM 0 HA3 GLY A 106 8.573 -13.384 0.452 1.00 1.41 H new ATOM 1583 N GLY A 107 7.678 -12.897 3.371 1.00 5.33 N ATOM 1584 CA GLY A 107 7.470 -11.924 4.428 1.00 24.44 C ATOM 1585 C GLY A 107 8.641 -11.853 5.389 1.00 33.12 C ATOM 1586 O GLY A 107 8.932 -12.817 6.098 1.00 51.11 O ATOM 0 H GLY A 107 7.020 -13.677 3.371 1.00 5.33 H new ATOM 0 HA2 GLY A 107 7.307 -10.941 3.986 1.00 24.44 H new ATOM 0 HA3 GLY A 107 6.566 -12.180 4.980 1.00 24.44 H new ATOM 1590 N LYS A 108 9.316 -10.709 5.413 1.00 14.10 N ATOM 1591 CA LYS A 108 10.462 -10.514 6.293 1.00 34.22 C ATOM 1592 C LYS A 108 10.011 -10.312 7.736 1.00 1.43 C ATOM 1593 O LYS A 108 9.091 -9.539 8.008 1.00 72.15 O ATOM 1594 CB LYS A 108 11.287 -9.311 5.832 1.00 53.24 C ATOM 1595 CG LYS A 108 12.703 -9.668 5.415 1.00 72.03 C ATOM 1596 CD LYS A 108 12.830 -9.771 3.904 1.00 22.41 C ATOM 1597 CE LYS A 108 14.140 -10.431 3.499 1.00 53.40 C ATOM 1598 NZ LYS A 108 14.033 -11.112 2.179 1.00 53.40 N ATOM 0 H LYS A 108 9.089 -9.902 4.832 1.00 14.10 H new ATOM 0 HA LYS A 108 11.081 -11.410 6.246 1.00 34.22 H new ATOM 0 HB2 LYS A 108 10.780 -8.833 4.994 1.00 53.24 H new ATOM 0 HB3 LYS A 108 11.328 -8.579 6.639 1.00 53.24 H new ATOM 0 HG2 LYS A 108 13.395 -8.913 5.789 1.00 72.03 H new ATOM 0 HG3 LYS A 108 12.989 -10.616 5.871 1.00 72.03 H new ATOM 0 HD2 LYS A 108 11.994 -10.345 3.506 1.00 22.41 H new ATOM 0 HD3 LYS A 108 12.771 -8.775 3.464 1.00 22.41 H new ATOM 0 HE2 LYS A 108 14.928 -9.679 3.457 1.00 53.40 H new ATOM 0 HE3 LYS A 108 14.432 -11.156 4.259 1.00 53.40 H new ATOM 0 HZ1 LYS A 108 14.875 -10.897 1.608 1.00 53.40 H new ATOM 0 HZ2 LYS A 108 13.966 -12.140 2.323 1.00 53.40 H new ATOM 0 HZ3 LYS A 108 13.183 -10.776 1.683 1.00 53.40 H new ATOM 1612 N LEU A 109 10.665 -11.008 8.659 1.00 64.52 N ATOM 1613 CA LEU A 109 10.333 -10.904 10.075 1.00 10.24 C ATOM 1614 C LEU A 109 11.369 -10.065 10.817 1.00 31.22 C ATOM 1615 O LEU A 109 12.501 -10.502 11.029 1.00 31.21 O ATOM 1616 CB LEU A 109 10.243 -12.296 10.703 1.00 62.14 C ATOM 1617 CG LEU A 109 9.874 -12.342 12.186 1.00 51.53 C ATOM 1618 CD1 LEU A 109 8.470 -11.799 12.403 1.00 32.11 C ATOM 1619 CD2 LEU A 109 9.988 -13.762 12.720 1.00 14.34 C ATOM 0 H LEU A 109 11.429 -11.651 8.452 1.00 64.52 H new ATOM 0 HA LEU A 109 9.364 -10.411 10.160 1.00 10.24 H new ATOM 0 HB2 LEU A 109 9.506 -12.876 10.148 1.00 62.14 H new ATOM 0 HB3 LEU A 109 11.204 -12.794 10.573 1.00 62.14 H new ATOM 0 HG LEU A 109 10.574 -11.712 12.735 1.00 51.53 H new ATOM 0 HD11 LEU A 109 8.224 -11.839 13.464 1.00 32.11 H new ATOM 0 HD12 LEU A 109 8.422 -10.766 12.058 1.00 32.11 H new ATOM 0 HD13 LEU A 109 7.756 -12.402 11.842 1.00 32.11 H new ATOM 0 HD21 LEU A 109 9.722 -13.776 13.777 1.00 14.34 H new ATOM 0 HD22 LEU A 109 9.312 -14.414 12.167 1.00 14.34 H new ATOM 0 HD23 LEU A 109 11.012 -14.115 12.599 1.00 14.34 H new ATOM 1631 N LEU A 110 10.974 -8.860 11.212 1.00 50.24 N ATOM 1632 CA LEU A 110 11.867 -7.960 11.933 1.00 45.24 C ATOM 1633 C LEU A 110 11.646 -8.064 13.438 1.00 5.02 C ATOM 1634 O LEU A 110 10.509 -8.121 13.907 1.00 3.22 O ATOM 1635 CB LEU A 110 11.651 -6.517 11.472 1.00 35.24 C ATOM 1636 CG LEU A 110 12.351 -6.114 10.174 1.00 34.41 C ATOM 1637 CD1 LEU A 110 11.329 -5.779 9.099 1.00 70.04 C ATOM 1638 CD2 LEU A 110 13.282 -4.935 10.414 1.00 71.00 C ATOM 0 H LEU A 110 10.041 -8.483 11.045 1.00 50.24 H new ATOM 0 HA LEU A 110 12.893 -8.254 11.714 1.00 45.24 H new ATOM 0 HB2 LEU A 110 10.580 -6.352 11.350 1.00 35.24 H new ATOM 0 HB3 LEU A 110 11.988 -5.849 12.265 1.00 35.24 H new ATOM 0 HG LEU A 110 12.948 -6.958 9.828 1.00 34.41 H new ATOM 0 HD11 LEU A 110 11.845 -5.494 8.182 1.00 70.04 H new ATOM 0 HD12 LEU A 110 10.703 -6.651 8.907 1.00 70.04 H new ATOM 0 HD13 LEU A 110 10.705 -4.951 9.436 1.00 70.04 H new ATOM 0 HD21 LEU A 110 13.772 -4.662 9.479 1.00 71.00 H new ATOM 0 HD22 LEU A 110 12.706 -4.086 10.784 1.00 71.00 H new ATOM 0 HD23 LEU A 110 14.036 -5.211 11.151 1.00 71.00 H new ATOM 1650 N CYS A 111 12.741 -8.087 14.191 1.00 11.45 N ATOM 1651 CA CYS A 111 12.668 -8.182 15.644 1.00 0.24 C ATOM 1652 C CYS A 111 13.300 -6.959 16.302 1.00 1.52 C ATOM 1653 O CYS A 111 13.590 -5.964 15.637 1.00 5.02 O ATOM 1654 CB CYS A 111 13.367 -9.453 16.129 1.00 64.53 C ATOM 1655 SG CYS A 111 15.186 -9.346 16.134 1.00 50.11 S ATOM 0 H CYS A 111 13.689 -8.041 13.819 1.00 11.45 H new ATOM 0 HA CYS A 111 11.616 -8.223 15.927 1.00 0.24 H new ATOM 0 HB2 CYS A 111 13.024 -9.681 17.138 1.00 64.53 H new ATOM 0 HB3 CYS A 111 13.064 -10.286 15.494 1.00 64.53 H new ATOM 0 HG CYS A 111 15.685 -10.468 16.561 1.00 50.11 H new ATOM 1660 N ARG A 112 13.510 -7.040 17.612 1.00 63.21 N ATOM 1661 CA ARG A 112 14.107 -5.940 18.360 1.00 71.21 C ATOM 1662 C ARG A 112 15.147 -5.210 17.516 1.00 44.11 C ATOM 1663 O ARG A 112 15.173 -3.980 17.470 1.00 14.51 O ATOM 1664 CB ARG A 112 14.752 -6.460 19.646 1.00 73.40 C ATOM 1665 CG ARG A 112 13.759 -7.073 20.620 1.00 10.04 C ATOM 1666 CD ARG A 112 12.756 -6.043 21.115 1.00 0.34 C ATOM 1667 NE ARG A 112 12.498 -6.174 22.547 1.00 50.32 N ATOM 1668 CZ ARG A 112 11.866 -5.254 23.267 1.00 42.50 C ATOM 1669 NH1 ARG A 112 11.430 -4.141 22.692 1.00 20.30 N ATOM 1670 NH2 ARG A 112 11.669 -5.445 24.565 1.00 21.21 N ATOM 0 H ARG A 112 13.276 -7.856 18.177 1.00 63.21 H new ATOM 0 HA ARG A 112 13.315 -5.237 18.618 1.00 71.21 H new ATOM 0 HB2 ARG A 112 15.504 -7.206 19.389 1.00 73.40 H new ATOM 0 HB3 ARG A 112 15.272 -5.639 20.139 1.00 73.40 H new ATOM 0 HG2 ARG A 112 13.230 -7.893 20.134 1.00 10.04 H new ATOM 0 HG3 ARG A 112 14.295 -7.498 21.469 1.00 10.04 H new ATOM 0 HD2 ARG A 112 13.131 -5.041 20.904 1.00 0.34 H new ATOM 0 HD3 ARG A 112 11.821 -6.155 20.566 1.00 0.34 H new ATOM 0 HE ARG A 112 12.821 -7.018 23.020 1.00 50.32 H new ATOM 0 HH11 ARG A 112 11.580 -3.990 21.694 1.00 20.30 H new ATOM 0 HH12 ARG A 112 10.945 -3.436 23.247 1.00 20.30 H new ATOM 0 HH21 ARG A 112 12.003 -6.299 25.011 1.00 21.21 H new ATOM 0 HH22 ARG A 112 11.184 -4.738 25.117 1.00 21.21 H new ATOM 1684 N HIS A 113 16.005 -5.976 16.850 1.00 61.35 N ATOM 1685 CA HIS A 113 17.048 -5.402 16.007 1.00 61.32 C ATOM 1686 C HIS A 113 16.534 -5.168 14.590 1.00 71.25 C ATOM 1687 O HIS A 113 16.521 -4.039 14.102 1.00 53.21 O ATOM 1688 CB HIS A 113 18.270 -6.321 15.973 1.00 35.34 C ATOM 1689 CG HIS A 113 18.415 -7.169 17.200 1.00 50.05 C ATOM 1690 ND1 HIS A 113 18.277 -6.672 18.478 1.00 21.45 N ATOM 1691 CD2 HIS A 113 18.686 -8.488 17.337 1.00 42.01 C ATOM 1692 CE1 HIS A 113 18.459 -7.649 19.350 1.00 51.25 C ATOM 1693 NE2 HIS A 113 18.708 -8.761 18.682 1.00 23.25 N ATOM 0 H HIS A 113 15.999 -6.996 16.878 1.00 61.35 H new ATOM 0 HA HIS A 113 17.337 -4.441 16.433 1.00 61.32 H new ATOM 0 HB2 HIS A 113 18.203 -6.969 15.099 1.00 35.34 H new ATOM 0 HB3 HIS A 113 19.168 -5.714 15.852 1.00 35.34 H new ATOM 0 HD2 HIS A 113 18.854 -9.194 16.537 1.00 42.01 H new ATOM 0 HE1 HIS A 113 18.412 -7.554 20.425 1.00 51.25 H new ATOM 0 HE2 HIS A 113 18.888 -9.675 19.098 1.00 23.25 H new ATOM 1701 N GLY A 114 16.112 -6.245 13.933 1.00 55.52 N ATOM 1702 CA GLY A 114 15.603 -6.135 12.578 1.00 43.11 C ATOM 1703 C GLY A 114 15.270 -7.484 11.973 1.00 64.14 C ATOM 1704 O GLY A 114 14.995 -8.445 12.692 1.00 42.41 O ATOM 0 H GLY A 114 16.114 -7.191 14.315 1.00 55.52 H new ATOM 0 HA2 GLY A 114 14.710 -5.510 12.578 1.00 43.11 H new ATOM 0 HA3 GLY A 114 16.343 -5.633 11.955 1.00 43.11 H new ATOM 1708 N VAL A 115 15.293 -7.558 10.646 1.00 44.44 N ATOM 1709 CA VAL A 115 14.991 -8.799 9.943 1.00 21.13 C ATOM 1710 C VAL A 115 15.798 -9.962 10.511 1.00 55.24 C ATOM 1711 O VAL A 115 17.007 -9.850 10.715 1.00 33.30 O ATOM 1712 CB VAL A 115 15.280 -8.676 8.435 1.00 0.44 C ATOM 1713 CG1 VAL A 115 15.063 -10.010 7.739 1.00 22.40 C ATOM 1714 CG2 VAL A 115 14.411 -7.593 7.814 1.00 72.13 C ATOM 0 H VAL A 115 15.518 -6.772 10.036 1.00 44.44 H new ATOM 0 HA VAL A 115 13.928 -8.993 10.086 1.00 21.13 H new ATOM 0 HB VAL A 115 16.324 -8.392 8.304 1.00 0.44 H new ATOM 0 HG11 VAL A 115 15.272 -9.903 6.675 1.00 22.40 H new ATOM 0 HG12 VAL A 115 15.732 -10.757 8.167 1.00 22.40 H new ATOM 0 HG13 VAL A 115 14.029 -10.328 7.876 1.00 22.40 H new ATOM 0 HG21 VAL A 115 14.628 -7.519 6.748 1.00 72.13 H new ATOM 0 HG22 VAL A 115 13.360 -7.845 7.954 1.00 72.13 H new ATOM 0 HG23 VAL A 115 14.622 -6.637 8.294 1.00 72.13 H new ATOM 1724 N ILE A 116 15.120 -11.077 10.762 1.00 4.05 N ATOM 1725 CA ILE A 116 15.775 -12.261 11.305 1.00 74.32 C ATOM 1726 C ILE A 116 15.419 -13.504 10.497 1.00 72.54 C ATOM 1727 O ILE A 116 15.937 -14.591 10.749 1.00 22.21 O ATOM 1728 CB ILE A 116 15.389 -12.493 12.778 1.00 40.42 C ATOM 1729 CG1 ILE A 116 13.869 -12.442 12.944 1.00 72.43 C ATOM 1730 CG2 ILE A 116 16.059 -11.458 13.669 1.00 1.14 C ATOM 1731 CD1 ILE A 116 13.389 -12.971 14.277 1.00 33.12 C ATOM 0 H ILE A 116 14.119 -11.185 10.598 1.00 4.05 H new ATOM 0 HA ILE A 116 16.849 -12.084 11.243 1.00 74.32 H new ATOM 0 HB ILE A 116 15.735 -13.482 13.078 1.00 40.42 H new ATOM 0 HG12 ILE A 116 13.533 -11.411 12.829 1.00 72.43 H new ATOM 0 HG13 ILE A 116 13.405 -13.019 12.145 1.00 72.43 H new ATOM 0 HG21 ILE A 116 15.777 -11.634 14.707 1.00 1.14 H new ATOM 0 HG22 ILE A 116 17.141 -11.537 13.568 1.00 1.14 H new ATOM 0 HG23 ILE A 116 15.739 -10.460 13.371 1.00 1.14 H new ATOM 0 HD11 ILE A 116 12.302 -12.904 14.325 1.00 33.12 H new ATOM 0 HD12 ILE A 116 13.694 -14.012 14.387 1.00 33.12 H new ATOM 0 HD13 ILE A 116 13.825 -12.379 15.082 1.00 33.12 H new ATOM 1743 N GLY A 117 14.531 -13.336 9.521 1.00 1.22 N ATOM 1744 CA GLY A 117 14.122 -14.452 8.689 1.00 22.20 C ATOM 1745 C GLY A 117 12.847 -14.166 7.921 1.00 31.31 C ATOM 1746 O GLY A 117 12.048 -13.321 8.325 1.00 50.33 O ATOM 0 H GLY A 117 14.088 -12.446 9.292 1.00 1.22 H new ATOM 0 HA2 GLY A 117 14.921 -14.689 7.986 1.00 22.20 H new ATOM 0 HA3 GLY A 117 13.976 -15.333 9.314 1.00 22.20 H new ATOM 1750 N ILE A 118 12.656 -14.871 6.811 1.00 61.10 N ATOM 1751 CA ILE A 118 11.469 -14.688 5.985 1.00 42.21 C ATOM 1752 C ILE A 118 10.585 -15.930 6.009 1.00 23.23 C ATOM 1753 O ILE A 118 10.964 -16.963 6.562 1.00 25.20 O ATOM 1754 CB ILE A 118 11.843 -14.366 4.526 1.00 51.10 C ATOM 1755 CG1 ILE A 118 12.841 -15.396 3.993 1.00 73.21 C ATOM 1756 CG2 ILE A 118 12.418 -12.961 4.424 1.00 24.32 C ATOM 1757 CD1 ILE A 118 13.236 -15.165 2.551 1.00 32.02 C ATOM 0 H ILE A 118 13.308 -15.574 6.463 1.00 61.10 H new ATOM 0 HA ILE A 118 10.919 -13.846 6.405 1.00 42.21 H new ATOM 0 HB ILE A 118 10.941 -14.413 3.916 1.00 51.10 H new ATOM 0 HG12 ILE A 118 13.737 -15.377 4.614 1.00 73.21 H new ATOM 0 HG13 ILE A 118 12.408 -16.392 4.088 1.00 73.21 H new ATOM 0 HG21 ILE A 118 12.677 -12.748 3.387 1.00 24.32 H new ATOM 0 HG22 ILE A 118 11.678 -12.239 4.768 1.00 24.32 H new ATOM 0 HG23 ILE A 118 13.312 -12.888 5.044 1.00 24.32 H new ATOM 0 HD11 ILE A 118 13.945 -15.932 2.241 1.00 32.02 H new ATOM 0 HD12 ILE A 118 12.349 -15.213 1.919 1.00 32.02 H new ATOM 0 HD13 ILE A 118 13.698 -14.183 2.453 1.00 32.02 H new ATOM 1769 N ILE A 119 9.407 -15.823 5.405 1.00 13.02 N ATOM 1770 CA ILE A 119 8.470 -16.939 5.355 1.00 3.21 C ATOM 1771 C ILE A 119 8.940 -18.007 4.374 1.00 62.23 C ATOM 1772 O ILE A 119 9.081 -17.749 3.178 1.00 62.43 O ATOM 1773 CB ILE A 119 7.059 -16.472 4.951 1.00 2.24 C ATOM 1774 CG1 ILE A 119 6.724 -15.143 5.632 1.00 33.44 C ATOM 1775 CG2 ILE A 119 6.028 -17.532 5.309 1.00 41.13 C ATOM 1776 CD1 ILE A 119 5.286 -14.713 5.442 1.00 20.22 C ATOM 0 H ILE A 119 9.078 -14.975 4.943 1.00 13.02 H new ATOM 0 HA ILE A 119 8.430 -17.363 6.358 1.00 3.21 H new ATOM 0 HB ILE A 119 7.037 -16.321 3.872 1.00 2.24 H new ATOM 0 HG12 ILE A 119 6.932 -15.228 6.699 1.00 33.44 H new ATOM 0 HG13 ILE A 119 7.382 -14.367 5.240 1.00 33.44 H new ATOM 0 HG21 ILE A 119 5.036 -17.188 5.017 1.00 41.13 H new ATOM 0 HG22 ILE A 119 6.260 -18.458 4.782 1.00 41.13 H new ATOM 0 HG23 ILE A 119 6.049 -17.711 6.384 1.00 41.13 H new ATOM 0 HD11 ILE A 119 5.120 -13.764 5.951 1.00 20.22 H new ATOM 0 HD12 ILE A 119 5.079 -14.596 4.378 1.00 20.22 H new ATOM 0 HD13 ILE A 119 4.622 -15.470 5.860 1.00 20.22 H new ATOM 1788 N THR A 120 9.180 -19.210 4.887 1.00 60.02 N ATOM 1789 CA THR A 120 9.633 -20.319 4.056 1.00 3.44 C ATOM 1790 C THR A 120 8.590 -21.429 4.005 1.00 63.13 C ATOM 1791 O THR A 120 8.630 -22.290 3.126 1.00 14.02 O ATOM 1792 CB THR A 120 10.962 -20.901 4.574 1.00 70.43 C ATOM 1793 OG1 THR A 120 11.468 -21.867 3.645 1.00 32.13 O ATOM 1794 CG2 THR A 120 10.774 -21.551 5.937 1.00 52.25 C ATOM 0 H THR A 120 9.068 -19.441 5.874 1.00 60.02 H new ATOM 0 HA THR A 120 9.785 -19.922 3.052 1.00 3.44 H new ATOM 0 HB THR A 120 11.677 -20.084 4.675 1.00 70.43 H new ATOM 0 HG1 THR A 120 10.720 -22.295 3.178 1.00 32.13 H new ATOM 0 HG21 THR A 120 11.726 -21.955 6.282 1.00 52.25 H new ATOM 0 HG22 THR A 120 10.416 -20.807 6.649 1.00 52.25 H new ATOM 0 HG23 THR A 120 10.045 -22.358 5.858 1.00 52.25 H new ATOM 1802 N ALA A 121 7.658 -21.403 4.951 1.00 34.11 N ATOM 1803 CA ALA A 121 6.602 -22.407 5.011 1.00 1.42 C ATOM 1804 C ALA A 121 5.418 -21.909 5.833 1.00 21.34 C ATOM 1805 O ALA A 121 5.571 -21.055 6.706 1.00 75.42 O ATOM 1806 CB ALA A 121 7.141 -23.706 5.591 1.00 4.20 C ATOM 0 H ALA A 121 7.612 -20.698 5.687 1.00 34.11 H new ATOM 0 HA ALA A 121 6.253 -22.593 3.995 1.00 1.42 H new ATOM 0 HB1 ALA A 121 6.342 -24.446 5.630 1.00 4.20 H new ATOM 0 HB2 ALA A 121 7.950 -24.078 4.962 1.00 4.20 H new ATOM 0 HB3 ALA A 121 7.518 -23.526 6.598 1.00 4.20 H new ATOM 1812 N GLY A 122 4.237 -22.449 5.548 1.00 31.34 N ATOM 1813 CA GLY A 122 3.044 -22.047 6.270 1.00 32.12 C ATOM 1814 C GLY A 122 1.964 -23.110 6.243 1.00 74.22 C ATOM 1815 O GLY A 122 1.773 -23.785 5.232 1.00 32.42 O ATOM 0 H GLY A 122 4.085 -23.158 4.830 1.00 31.34 H new ATOM 0 HA2 GLY A 122 3.306 -21.826 7.305 1.00 32.12 H new ATOM 0 HA3 GLY A 122 2.654 -21.126 5.837 1.00 32.12 H new ATOM 1819 N GLY A 123 1.255 -23.261 7.358 1.00 41.01 N ATOM 1820 CA GLY A 123 0.198 -24.253 7.437 1.00 5.40 C ATOM 1821 C GLY A 123 -1.091 -23.683 7.995 1.00 43.23 C ATOM 1822 O GLY A 123 -1.568 -22.645 7.537 1.00 42.55 O ATOM 0 H GLY A 123 1.394 -22.714 8.208 1.00 41.01 H new ATOM 0 HA2 GLY A 123 0.011 -24.661 6.443 1.00 5.40 H new ATOM 0 HA3 GLY A 123 0.527 -25.081 8.065 1.00 5.40 H new ATOM 1826 N ASP A 124 -1.657 -24.364 8.985 1.00 41.31 N ATOM 1827 CA ASP A 124 -2.900 -23.920 9.606 1.00 45.44 C ATOM 1828 C ASP A 124 -2.635 -23.324 10.985 1.00 34.10 C ATOM 1829 O ASP A 124 -2.456 -24.050 11.962 1.00 62.22 O ATOM 1830 CB ASP A 124 -3.883 -25.086 9.719 1.00 2.55 C ATOM 1831 CG ASP A 124 -4.674 -25.303 8.444 1.00 3.54 C ATOM 1832 OD1 ASP A 124 -5.536 -24.456 8.130 1.00 55.14 O ATOM 1833 OD2 ASP A 124 -4.429 -26.318 7.761 1.00 74.41 O ATOM 0 H ASP A 124 -1.275 -25.226 9.375 1.00 41.31 H new ATOM 0 HA ASP A 124 -3.338 -23.147 8.975 1.00 45.44 H new ATOM 0 HB2 ASP A 124 -3.335 -25.996 9.963 1.00 2.55 H new ATOM 0 HB3 ASP A 124 -4.572 -24.898 10.543 1.00 2.55 H new ATOM 1838 N GLY A 125 -2.612 -21.997 11.057 1.00 52.44 N ATOM 1839 CA GLY A 125 -2.368 -21.326 12.320 1.00 0.02 C ATOM 1840 C GLY A 125 -0.903 -21.340 12.710 1.00 13.43 C ATOM 1841 O GLY A 125 -0.530 -20.829 13.767 1.00 42.02 O ATOM 0 H GLY A 125 -2.758 -21.374 10.263 1.00 52.44 H new ATOM 0 HA2 GLY A 125 -2.713 -20.294 12.252 1.00 0.02 H new ATOM 0 HA3 GLY A 125 -2.954 -21.807 13.103 1.00 0.02 H new ATOM 1845 N HIS A 126 -0.071 -21.927 11.857 1.00 45.24 N ATOM 1846 CA HIS A 126 1.362 -22.006 12.118 1.00 22.03 C ATOM 1847 C HIS A 126 2.163 -21.671 10.864 1.00 50.53 C ATOM 1848 O HIS A 126 1.959 -22.267 9.806 1.00 31.35 O ATOM 1849 CB HIS A 126 1.735 -23.403 12.617 1.00 54.41 C ATOM 1850 CG HIS A 126 1.878 -23.489 14.105 1.00 3.32 C ATOM 1851 ND1 HIS A 126 1.141 -22.717 14.978 1.00 3.14 N ATOM 1852 CD2 HIS A 126 2.679 -24.263 14.874 1.00 62.21 C ATOM 1853 CE1 HIS A 126 1.484 -23.012 16.220 1.00 51.42 C ATOM 1854 NE2 HIS A 126 2.415 -23.948 16.184 1.00 1.40 N ATOM 0 H HIS A 126 -0.364 -22.355 10.979 1.00 45.24 H new ATOM 0 HA HIS A 126 1.606 -21.275 12.889 1.00 22.03 H new ATOM 0 HB2 HIS A 126 0.973 -24.111 12.292 1.00 54.41 H new ATOM 0 HB3 HIS A 126 2.673 -23.708 12.152 1.00 54.41 H new ATOM 0 HD1 HIS A 126 0.441 -22.026 14.708 1.00 3.14 H new ATOM 0 HD2 HIS A 126 3.393 -24.993 14.522 1.00 62.21 H new ATOM 0 HE1 HIS A 126 1.073 -22.564 17.112 1.00 51.42 H new ATOM 1862 N VAL A 127 3.075 -20.711 10.988 1.00 34.12 N ATOM 1863 CA VAL A 127 3.906 -20.296 9.865 1.00 62.32 C ATOM 1864 C VAL A 127 5.387 -20.365 10.222 1.00 13.22 C ATOM 1865 O VAL A 127 5.817 -19.816 11.236 1.00 11.11 O ATOM 1866 CB VAL A 127 3.564 -18.864 9.412 1.00 64.30 C ATOM 1867 CG1 VAL A 127 3.554 -17.916 10.601 1.00 34.34 C ATOM 1868 CG2 VAL A 127 4.548 -18.392 8.352 1.00 3.02 C ATOM 0 H VAL A 127 3.256 -20.206 11.856 1.00 34.12 H new ATOM 0 HA VAL A 127 3.700 -20.986 9.047 1.00 62.32 H new ATOM 0 HB VAL A 127 2.566 -18.869 8.973 1.00 64.30 H new ATOM 0 HG11 VAL A 127 3.311 -16.909 10.262 1.00 34.34 H new ATOM 0 HG12 VAL A 127 2.807 -18.246 11.323 1.00 34.34 H new ATOM 0 HG13 VAL A 127 4.537 -17.912 11.072 1.00 34.34 H new ATOM 0 HG21 VAL A 127 4.292 -17.379 8.043 1.00 3.02 H new ATOM 0 HG22 VAL A 127 5.558 -18.402 8.763 1.00 3.02 H new ATOM 0 HG23 VAL A 127 4.501 -19.057 7.490 1.00 3.02 H new ATOM 1878 N ALA A 128 6.162 -21.042 9.382 1.00 71.41 N ATOM 1879 CA ALA A 128 7.595 -21.181 9.608 1.00 43.34 C ATOM 1880 C ALA A 128 8.358 -19.988 9.041 1.00 11.24 C ATOM 1881 O ALA A 128 7.849 -19.262 8.187 1.00 64.25 O ATOM 1882 CB ALA A 128 8.104 -22.476 8.991 1.00 0.54 C ATOM 0 H ALA A 128 5.821 -21.503 8.538 1.00 71.41 H new ATOM 0 HA ALA A 128 7.767 -21.212 10.684 1.00 43.34 H new ATOM 0 HB1 ALA A 128 9.176 -22.566 9.168 1.00 0.54 H new ATOM 0 HB2 ALA A 128 7.589 -23.322 9.445 1.00 0.54 H new ATOM 0 HB3 ALA A 128 7.912 -22.468 7.918 1.00 0.54 H new ATOM 1888 N PHE A 129 9.580 -19.790 9.524 1.00 42.32 N ATOM 1889 CA PHE A 129 10.412 -18.683 9.067 1.00 65.03 C ATOM 1890 C PHE A 129 11.875 -19.107 8.968 1.00 30.01 C ATOM 1891 O PHE A 129 12.450 -19.623 9.927 1.00 64.22 O ATOM 1892 CB PHE A 129 10.278 -17.490 10.016 1.00 64.33 C ATOM 1893 CG PHE A 129 9.077 -16.634 9.736 1.00 53.21 C ATOM 1894 CD1 PHE A 129 7.806 -17.065 10.083 1.00 4.31 C ATOM 1895 CD2 PHE A 129 9.217 -15.398 9.126 1.00 4.42 C ATOM 1896 CE1 PHE A 129 6.699 -16.279 9.826 1.00 0.20 C ATOM 1897 CE2 PHE A 129 8.114 -14.607 8.867 1.00 74.01 C ATOM 1898 CZ PHE A 129 6.853 -15.048 9.218 1.00 12.03 C ATOM 0 H PHE A 129 10.016 -20.381 10.231 1.00 42.32 H new ATOM 0 HA PHE A 129 10.069 -18.389 8.075 1.00 65.03 H new ATOM 0 HB2 PHE A 129 10.222 -17.856 11.041 1.00 64.33 H new ATOM 0 HB3 PHE A 129 11.176 -16.877 9.945 1.00 64.33 H new ATOM 0 HD1 PHE A 129 7.680 -18.026 10.560 1.00 4.31 H new ATOM 0 HD2 PHE A 129 10.201 -15.048 8.849 1.00 4.42 H new ATOM 0 HE1 PHE A 129 5.714 -16.627 10.100 1.00 0.20 H new ATOM 0 HE2 PHE A 129 8.238 -13.646 8.391 1.00 74.01 H new ATOM 0 HZ PHE A 129 5.989 -14.432 9.018 1.00 12.03 H new ATOM 1908 N THR A 130 12.472 -18.886 7.801 1.00 53.12 N ATOM 1909 CA THR A 130 13.866 -19.246 7.575 1.00 53.23 C ATOM 1910 C THR A 130 14.805 -18.180 8.126 1.00 3.35 C ATOM 1911 O THR A 130 14.821 -17.045 7.649 1.00 72.12 O ATOM 1912 CB THR A 130 14.158 -19.446 6.076 1.00 44.23 C ATOM 1913 OG1 THR A 130 15.556 -19.689 5.877 1.00 15.05 O ATOM 1914 CG2 THR A 130 13.732 -18.225 5.274 1.00 61.53 C ATOM 0 H THR A 130 12.011 -18.459 6.997 1.00 53.12 H new ATOM 0 HA THR A 130 14.039 -20.185 8.100 1.00 53.23 H new ATOM 0 HB THR A 130 13.587 -20.307 5.729 1.00 44.23 H new ATOM 0 HG1 THR A 130 15.733 -19.817 4.922 1.00 15.05 H new ATOM 0 HG21 THR A 130 13.948 -18.390 4.218 1.00 61.53 H new ATOM 0 HG22 THR A 130 12.663 -18.059 5.404 1.00 61.53 H new ATOM 0 HG23 THR A 130 14.280 -17.350 5.624 1.00 61.53 H new ATOM 1922 N ASP A 131 15.588 -18.551 9.134 1.00 73.43 N ATOM 1923 CA ASP A 131 16.532 -17.627 9.750 1.00 43.35 C ATOM 1924 C ASP A 131 17.577 -17.163 8.739 1.00 73.43 C ATOM 1925 O ASP A 131 18.296 -17.976 8.156 1.00 21.34 O ATOM 1926 CB ASP A 131 17.220 -18.288 10.945 1.00 13.54 C ATOM 1927 CG ASP A 131 17.172 -17.424 12.191 1.00 72.05 C ATOM 1928 OD1 ASP A 131 17.475 -16.217 12.088 1.00 55.43 O ATOM 1929 OD2 ASP A 131 16.831 -17.955 13.268 1.00 72.43 O ATOM 0 H ASP A 131 15.587 -19.486 9.541 1.00 73.43 H new ATOM 0 HA ASP A 131 15.976 -16.756 10.097 1.00 43.35 H new ATOM 0 HB2 ASP A 131 16.742 -19.246 11.152 1.00 13.54 H new ATOM 0 HB3 ASP A 131 18.259 -18.498 10.692 1.00 13.54 H new ATOM 1934 N LEU A 132 17.654 -15.853 8.534 1.00 20.21 N ATOM 1935 CA LEU A 132 18.610 -15.281 7.592 1.00 0.04 C ATOM 1936 C LEU A 132 19.992 -15.160 8.226 1.00 43.13 C ATOM 1937 O LEU A 132 20.980 -14.896 7.539 1.00 34.12 O ATOM 1938 CB LEU A 132 18.131 -13.907 7.120 1.00 32.21 C ATOM 1939 CG LEU A 132 17.457 -13.866 5.748 1.00 20.51 C ATOM 1940 CD1 LEU A 132 16.394 -14.949 5.643 1.00 11.11 C ATOM 1941 CD2 LEU A 132 16.851 -12.494 5.492 1.00 31.41 C ATOM 0 H LEU A 132 17.066 -15.167 9.007 1.00 20.21 H new ATOM 0 HA LEU A 132 18.681 -15.949 6.733 1.00 0.04 H new ATOM 0 HB2 LEU A 132 17.431 -13.515 7.858 1.00 32.21 H new ATOM 0 HB3 LEU A 132 18.987 -13.232 7.102 1.00 32.21 H new ATOM 0 HG LEU A 132 18.214 -14.054 4.987 1.00 20.51 H new ATOM 0 HD11 LEU A 132 15.925 -14.905 4.660 1.00 11.11 H new ATOM 0 HD12 LEU A 132 16.856 -15.927 5.781 1.00 11.11 H new ATOM 0 HD13 LEU A 132 15.638 -14.793 6.413 1.00 11.11 H new ATOM 0 HD21 LEU A 132 16.376 -12.483 4.511 1.00 31.41 H new ATOM 0 HD22 LEU A 132 16.107 -12.276 6.258 1.00 31.41 H new ATOM 0 HD23 LEU A 132 17.636 -11.738 5.523 1.00 31.41 H new ATOM 1953 N ARG A 133 20.055 -15.356 9.539 1.00 63.44 N ATOM 1954 CA ARG A 133 21.317 -15.270 10.264 1.00 33.34 C ATOM 1955 C ARG A 133 22.403 -16.082 9.565 1.00 70.21 C ATOM 1956 O ARG A 133 23.435 -15.555 9.148 1.00 75.33 O ATOM 1957 CB ARG A 133 21.139 -15.767 11.700 1.00 35.22 C ATOM 1958 CG ARG A 133 21.425 -14.708 12.751 1.00 3.45 C ATOM 1959 CD ARG A 133 21.151 -15.226 14.154 1.00 34.04 C ATOM 1960 NE ARG A 133 22.383 -15.508 14.885 1.00 64.33 N ATOM 1961 CZ ARG A 133 22.445 -16.313 15.940 1.00 72.45 C ATOM 1962 NH1 ARG A 133 21.349 -16.913 16.385 1.00 42.04 N ATOM 1963 NH2 ARG A 133 23.604 -16.521 16.551 1.00 0.40 N ATOM 0 H ARG A 133 19.247 -15.575 10.122 1.00 63.44 H new ATOM 0 HA ARG A 133 21.625 -14.225 10.283 1.00 33.34 H new ATOM 0 HB2 ARG A 133 20.118 -16.126 11.827 1.00 35.22 H new ATOM 0 HB3 ARG A 133 21.799 -16.618 11.865 1.00 35.22 H new ATOM 0 HG2 ARG A 133 22.465 -14.391 12.676 1.00 3.45 H new ATOM 0 HG3 ARG A 133 20.809 -13.829 12.560 1.00 3.45 H new ATOM 0 HD2 ARG A 133 20.564 -14.490 14.704 1.00 34.04 H new ATOM 0 HD3 ARG A 133 20.550 -16.133 14.094 1.00 34.04 H new ATOM 0 HE ARG A 133 23.244 -15.062 14.568 1.00 64.33 H new ATOM 0 HH11 ARG A 133 20.456 -16.757 15.917 1.00 42.04 H new ATOM 0 HH12 ARG A 133 21.399 -17.531 17.195 1.00 42.04 H new ATOM 0 HH21 ARG A 133 24.449 -16.063 16.211 1.00 0.40 H new ATOM 0 HH22 ARG A 133 23.650 -17.139 17.361 1.00 0.40 H new ATOM 1977 N PRO A 134 22.168 -17.396 9.434 1.00 72.25 N ATOM 1978 CA PRO A 134 23.114 -18.309 8.785 1.00 3.22 C ATOM 1979 C PRO A 134 23.207 -18.075 7.281 1.00 31.32 C ATOM 1980 O PRO A 134 22.855 -18.946 6.485 1.00 23.42 O ATOM 1981 CB PRO A 134 22.529 -19.693 9.076 1.00 13.34 C ATOM 1982 CG PRO A 134 21.072 -19.453 9.278 1.00 62.11 C ATOM 1983 CD PRO A 134 20.960 -18.092 9.907 1.00 33.13 C ATOM 0 HA PRO A 134 24.130 -18.174 9.157 1.00 3.22 H new ATOM 0 HB2 PRO A 134 22.706 -20.380 8.248 1.00 13.34 H new ATOM 0 HB3 PRO A 134 22.984 -20.137 9.962 1.00 13.34 H new ATOM 0 HG2 PRO A 134 20.535 -19.490 8.330 1.00 62.11 H new ATOM 0 HG3 PRO A 134 20.636 -20.217 9.921 1.00 62.11 H new ATOM 0 HD2 PRO A 134 20.051 -17.578 9.593 1.00 33.13 H new ATOM 0 HD3 PRO A 134 20.932 -18.153 10.995 1.00 33.13 H new ATOM 1991 N TYR A 135 23.682 -16.895 6.899 1.00 62.44 N ATOM 1992 CA TYR A 135 23.819 -16.547 5.489 1.00 22.04 C ATOM 1993 C TYR A 135 24.736 -15.341 5.313 1.00 4.31 C ATOM 1994 O TYR A 135 25.547 -15.293 4.389 1.00 73.03 O ATOM 1995 CB TYR A 135 22.448 -16.252 4.880 1.00 74.43 C ATOM 1996 CG TYR A 135 22.023 -17.256 3.832 1.00 53.14 C ATOM 1997 CD1 TYR A 135 22.872 -17.602 2.788 1.00 54.45 C ATOM 1998 CD2 TYR A 135 20.772 -17.859 3.886 1.00 21.32 C ATOM 1999 CE1 TYR A 135 22.487 -18.517 1.827 1.00 20.35 C ATOM 2000 CE2 TYR A 135 20.380 -18.777 2.931 1.00 33.33 C ATOM 2001 CZ TYR A 135 21.240 -19.103 1.904 1.00 43.43 C ATOM 2002 OH TYR A 135 20.854 -20.016 0.950 1.00 21.41 O ATOM 0 H TYR A 135 23.979 -16.164 7.545 1.00 62.44 H new ATOM 0 HA TYR A 135 24.263 -17.397 4.972 1.00 22.04 H new ATOM 0 HB2 TYR A 135 21.703 -16.232 5.675 1.00 74.43 H new ATOM 0 HB3 TYR A 135 22.464 -15.258 4.433 1.00 74.43 H new ATOM 0 HD1 TYR A 135 23.850 -17.148 2.727 1.00 54.45 H new ATOM 0 HD2 TYR A 135 20.095 -17.606 4.688 1.00 21.32 H new ATOM 0 HE1 TYR A 135 23.158 -18.772 1.020 1.00 20.35 H new ATOM 0 HE2 TYR A 135 19.405 -19.237 2.989 1.00 33.33 H new ATOM 0 HH TYR A 135 20.711 -19.556 0.096 1.00 21.41 H new ATOM 2012 N ASN A 136 24.602 -14.368 6.208 1.00 12.53 N ATOM 2013 CA ASN A 136 25.418 -13.160 6.153 1.00 31.10 C ATOM 2014 C ASN A 136 26.758 -13.377 6.848 1.00 25.32 C ATOM 2015 O ASN A 136 27.112 -14.504 7.198 1.00 43.40 O ATOM 2016 CB ASN A 136 24.678 -11.989 6.803 1.00 73.14 C ATOM 2017 CG ASN A 136 24.863 -10.692 6.038 1.00 21.52 C ATOM 2018 OD1 ASN A 136 25.335 -9.697 6.588 1.00 64.24 O ATOM 2019 ND2 ASN A 136 24.491 -10.699 4.764 1.00 54.24 N ATOM 0 H ASN A 136 23.936 -14.392 6.980 1.00 12.53 H new ATOM 0 HA ASN A 136 25.606 -12.926 5.105 1.00 31.10 H new ATOM 0 HB2 ASN A 136 23.615 -12.223 6.864 1.00 73.14 H new ATOM 0 HB3 ASN A 136 25.035 -11.859 7.825 1.00 73.14 H new ATOM 0 HD21 ASN A 136 24.592 -9.856 4.199 1.00 54.24 H new ATOM 0 HD22 ASN A 136 24.105 -11.547 4.350 1.00 54.24 H new ATOM 2026 N ILE A 137 27.499 -12.292 7.045 1.00 1.13 N ATOM 2027 CA ILE A 137 28.799 -12.364 7.700 1.00 5.40 C ATOM 2028 C ILE A 137 28.678 -12.091 9.195 1.00 12.43 C ATOM 2029 O ILE A 137 29.213 -11.105 9.704 1.00 62.33 O ATOM 2030 CB ILE A 137 29.795 -11.362 7.086 1.00 51.40 C ATOM 2031 CG1 ILE A 137 29.789 -11.473 5.560 1.00 33.30 C ATOM 2032 CG2 ILE A 137 31.194 -11.601 7.634 1.00 33.14 C ATOM 2033 CD1 ILE A 137 30.186 -12.842 5.053 1.00 50.23 C ATOM 0 H ILE A 137 27.221 -11.353 6.760 1.00 1.13 H new ATOM 0 HA ILE A 137 29.173 -13.376 7.547 1.00 5.40 H new ATOM 0 HB ILE A 137 29.487 -10.353 7.360 1.00 51.40 H new ATOM 0 HG12 ILE A 137 28.792 -11.232 5.190 1.00 33.30 H new ATOM 0 HG13 ILE A 137 30.471 -10.730 5.147 1.00 33.30 H new ATOM 0 HG21 ILE A 137 31.886 -10.885 7.190 1.00 33.14 H new ATOM 0 HG22 ILE A 137 31.187 -11.476 8.717 1.00 33.14 H new ATOM 0 HG23 ILE A 137 31.513 -12.614 7.388 1.00 33.14 H new ATOM 0 HD11 ILE A 137 30.160 -12.848 3.963 1.00 50.23 H new ATOM 0 HD12 ILE A 137 31.194 -13.078 5.393 1.00 50.23 H new ATOM 0 HD13 ILE A 137 29.490 -13.588 5.437 1.00 50.23 H new ATOM 2045 N LYS A 138 27.971 -12.971 9.896 1.00 4.03 N ATOM 2046 CA LYS A 138 27.781 -12.828 11.335 1.00 60.32 C ATOM 2047 C LYS A 138 29.120 -12.668 12.048 1.00 50.44 C ATOM 2048 O LYS A 138 29.230 -11.923 13.021 1.00 31.12 O ATOM 2049 CB LYS A 138 27.036 -14.042 11.894 1.00 31.33 C ATOM 2050 CG LYS A 138 27.575 -15.371 11.393 1.00 52.12 C ATOM 2051 CD LYS A 138 27.914 -16.305 12.542 1.00 12.14 C ATOM 2052 CE LYS A 138 28.041 -17.745 12.071 1.00 23.42 C ATOM 2053 NZ LYS A 138 29.465 -18.150 11.902 1.00 55.42 N ATOM 0 H LYS A 138 27.520 -13.791 9.491 1.00 4.03 H new ATOM 0 HA LYS A 138 27.187 -11.931 11.510 1.00 60.32 H new ATOM 0 HB2 LYS A 138 27.093 -14.023 12.982 1.00 31.33 H new ATOM 0 HB3 LYS A 138 25.982 -13.964 11.629 1.00 31.33 H new ATOM 0 HG2 LYS A 138 26.836 -15.843 10.745 1.00 52.12 H new ATOM 0 HG3 LYS A 138 28.465 -15.199 10.788 1.00 52.12 H new ATOM 0 HD2 LYS A 138 28.849 -15.989 13.005 1.00 12.14 H new ATOM 0 HD3 LYS A 138 27.140 -16.238 13.307 1.00 12.14 H new ATOM 0 HE2 LYS A 138 27.558 -18.406 12.791 1.00 23.42 H new ATOM 0 HE3 LYS A 138 27.514 -17.865 11.124 1.00 23.42 H new ATOM 0 HZ1 LYS A 138 29.509 -19.138 11.580 1.00 55.42 H new ATOM 0 HZ2 LYS A 138 29.919 -17.535 11.197 1.00 55.42 H new ATOM 0 HZ3 LYS A 138 29.962 -18.060 12.811 1.00 55.42 H new