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 83 GLN : amide:sc= 0 X(o=0.2,f=0.026) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 120 THR OG1 : rot -19:sc= 0.204 USER MOD Set 2.1: A 51 CYS SG : rot 170:sc= 1.59 USER MOD Set 2.2: A 53 CYS SG : rot 38:sc= 1.09 USER MOD Set 2.3: A 111 CYS SG : rot 140:sc= -0.798 USER MOD Set 2.4: A 113 HIS : no HD1:sc= -0.548 K(o=1.3,f=-6.1!) USER MOD Set 3.1: A 20 THR OG1 : rot -76:sc= -0.0909 USER MOD Set 3.2: A 36 GLN : amide:sc= -3.82 X(o=-3.9,f=-4) USER MOD Set 4.1: A 9 THR OG1 : rot 40:sc= 0.0744 USER MOD Set 4.2: A 136 ASN : amide:sc= -5.89! C(o=-5.8!,f=-7.5!) USER MOD Single : A 8 HIS : no HD1:sc= -3.71! K(o=-3.7!,f=-2) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 118:sc= 0.0928 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 18 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=-0.01) USER MOD Single : A 21 THR OG1 : rot -60:sc= 0.926 USER MOD Single : A 23 ASN : amide:sc= -0.0124 K(o=-0.012,f=-1.6!) USER MOD Single : A 25 GLN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 107:sc= 0.444 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.0859 X(o=-0.086,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 55 SER OG : rot 49:sc= 0.343 USER MOD Single : A 57 CYS SG : rot -33:sc= 0.715 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -24:sc= 1.24 USER MOD Single : A 60 SER OG : rot -34:sc= -0.605 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 60:sc= -1.18 USER MOD Single : A 71 CYS SG : rot -136:sc= -0.834 USER MOD Single : A 74 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-3.8) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 33:sc= 0.261 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 HE2:sc= 0.12 K(o=0.12,f=-1.3) USER MOD Single : A 90 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.27) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.29) USER MOD Single : A 100 CYS SG : rot 16:sc= -0.097 USER MOD Single : A 108 LYS NZ :NH3+ -163:sc= -1.61! (180deg=-2.49!) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N PHE A 6 13.622 -9.344 0.369 1.00 54.44 N ATOM 65 CA PHE A 6 15.001 -9.622 -0.015 1.00 33.33 C ATOM 66 C PHE A 6 15.977 -8.839 0.858 1.00 33.24 C ATOM 67 O PHE A 6 15.620 -7.818 1.446 1.00 50.22 O ATOM 68 CB PHE A 6 15.223 -9.273 -1.488 1.00 24.23 C ATOM 69 CG PHE A 6 14.660 -7.937 -1.879 1.00 1.11 C ATOM 70 CD1 PHE A 6 15.175 -6.769 -1.341 1.00 0.35 C ATOM 71 CD2 PHE A 6 13.615 -7.849 -2.785 1.00 21.14 C ATOM 72 CE1 PHE A 6 14.659 -5.537 -1.699 1.00 22.44 C ATOM 73 CE2 PHE A 6 13.096 -6.621 -3.147 1.00 14.33 C ATOM 74 CZ PHE A 6 13.617 -5.463 -2.602 1.00 64.52 C ATOM 0 HA PHE A 6 15.185 -10.687 0.130 1.00 33.33 H new ATOM 0 HB2 PHE A 6 16.292 -9.283 -1.698 1.00 24.23 H new ATOM 0 HB3 PHE A 6 14.769 -10.045 -2.109 1.00 24.23 H new ATOM 0 HD1 PHE A 6 15.989 -6.821 -0.633 1.00 0.35 H new ATOM 0 HD2 PHE A 6 13.202 -8.750 -3.213 1.00 21.14 H new ATOM 0 HE1 PHE A 6 15.070 -4.634 -1.273 1.00 22.44 H new ATOM 0 HE2 PHE A 6 12.283 -6.566 -3.856 1.00 14.33 H new ATOM 0 HZ PHE A 6 13.210 -4.502 -2.882 1.00 64.52 H new ATOM 84 N VAL A 7 17.211 -9.326 0.939 1.00 30.22 N ATOM 85 CA VAL A 7 18.240 -8.673 1.740 1.00 53.13 C ATOM 86 C VAL A 7 19.495 -8.413 0.915 1.00 42.32 C ATOM 87 O VAL A 7 19.991 -9.302 0.222 1.00 41.33 O ATOM 88 CB VAL A 7 18.614 -9.519 2.971 1.00 0.33 C ATOM 89 CG1 VAL A 7 19.524 -8.732 3.903 1.00 75.31 C ATOM 90 CG2 VAL A 7 17.361 -9.981 3.700 1.00 5.13 C ATOM 0 H VAL A 7 17.523 -10.171 0.460 1.00 30.22 H new ATOM 0 HA VAL A 7 17.825 -7.722 2.075 1.00 53.13 H new ATOM 0 HB VAL A 7 19.156 -10.402 2.633 1.00 0.33 H new ATOM 0 HG11 VAL A 7 19.778 -9.346 4.767 1.00 75.31 H new ATOM 0 HG12 VAL A 7 20.436 -8.456 3.374 1.00 75.31 H new ATOM 0 HG13 VAL A 7 19.011 -7.830 4.237 1.00 75.31 H new ATOM 0 HG21 VAL A 7 17.644 -10.578 4.567 1.00 5.13 H new ATOM 0 HG22 VAL A 7 16.790 -9.113 4.028 1.00 5.13 H new ATOM 0 HG23 VAL A 7 16.751 -10.584 3.028 1.00 5.13 H new ATOM 100 N HIS A 8 20.006 -7.188 0.994 1.00 13.04 N ATOM 101 CA HIS A 8 21.205 -6.810 0.256 1.00 63.23 C ATOM 102 C HIS A 8 22.317 -6.380 1.208 1.00 31.11 C ATOM 103 O HIS A 8 22.379 -5.223 1.626 1.00 74.21 O ATOM 104 CB HIS A 8 20.891 -5.679 -0.724 1.00 64.43 C ATOM 105 CG HIS A 8 19.669 -5.928 -1.554 1.00 2.53 C ATOM 106 ND1 HIS A 8 18.929 -4.914 -2.126 1.00 24.22 N ATOM 107 CD2 HIS A 8 19.059 -7.083 -1.908 1.00 0.24 C ATOM 108 CE1 HIS A 8 17.916 -5.435 -2.794 1.00 62.33 C ATOM 109 NE2 HIS A 8 17.972 -6.750 -2.678 1.00 42.22 N ATOM 0 H HIS A 8 19.608 -6.440 1.562 1.00 13.04 H new ATOM 0 HA HIS A 8 21.547 -7.681 -0.303 1.00 63.23 H new ATOM 0 HB2 HIS A 8 20.759 -4.752 -0.166 1.00 64.43 H new ATOM 0 HB3 HIS A 8 21.746 -5.534 -1.385 1.00 64.43 H new ATOM 0 HD2 HIS A 8 19.369 -8.081 -1.636 1.00 0.24 H new ATOM 0 HE1 HIS A 8 17.169 -4.880 -3.342 1.00 62.33 H new ATOM 0 HE2 HIS A 8 17.315 -7.410 -3.093 1.00 42.22 H new ATOM 117 N THR A 9 23.194 -7.319 1.549 1.00 62.11 N ATOM 118 CA THR A 9 24.302 -7.038 2.453 1.00 20.11 C ATOM 119 C THR A 9 25.635 -7.061 1.714 1.00 52.34 C ATOM 120 O THR A 9 26.127 -8.124 1.337 1.00 43.51 O ATOM 121 CB THR A 9 24.353 -8.053 3.611 1.00 2.51 C ATOM 122 OG1 THR A 9 24.130 -9.376 3.113 1.00 64.41 O ATOM 123 CG2 THR A 9 23.310 -7.721 4.668 1.00 43.32 C ATOM 0 H THR A 9 23.158 -8.281 1.212 1.00 62.11 H new ATOM 0 HA THR A 9 24.133 -6.041 2.860 1.00 20.11 H new ATOM 0 HB THR A 9 25.341 -7.999 4.068 1.00 2.51 H new ATOM 0 HG1 THR A 9 24.600 -9.488 2.260 1.00 64.41 H new ATOM 0 HG21 THR A 9 23.365 -8.451 5.475 1.00 43.32 H new ATOM 0 HG22 THR A 9 23.500 -6.724 5.066 1.00 43.32 H new ATOM 0 HG23 THR A 9 22.317 -7.749 4.220 1.00 43.32 H new ATOM 131 N GLU A 10 26.213 -5.881 1.510 1.00 64.42 N ATOM 132 CA GLU A 10 27.490 -5.768 0.814 1.00 1.45 C ATOM 133 C GLU A 10 27.351 -6.175 -0.649 1.00 73.44 C ATOM 134 O GLU A 10 26.267 -6.091 -1.227 1.00 20.45 O ATOM 135 CB GLU A 10 28.548 -6.636 1.499 1.00 71.13 C ATOM 136 CG GLU A 10 28.438 -6.649 3.014 1.00 14.01 C ATOM 137 CD GLU A 10 28.288 -5.258 3.600 1.00 64.30 C ATOM 138 OE1 GLU A 10 29.262 -4.479 3.532 1.00 22.24 O ATOM 139 OE2 GLU A 10 27.199 -4.949 4.126 1.00 71.21 O ATOM 0 H GLU A 10 25.818 -4.992 1.816 1.00 64.42 H new ATOM 0 HA GLU A 10 27.805 -4.725 0.854 1.00 1.45 H new ATOM 0 HB2 GLU A 10 28.463 -7.658 1.128 1.00 71.13 H new ATOM 0 HB3 GLU A 10 29.538 -6.276 1.218 1.00 71.13 H new ATOM 0 HG2 GLU A 10 27.582 -7.257 3.307 1.00 14.01 H new ATOM 0 HG3 GLU A 10 29.325 -7.123 3.435 1.00 14.01 H new ATOM 146 N GLN A 11 28.455 -6.616 -1.242 1.00 63.45 N ATOM 147 CA GLN A 11 28.457 -7.036 -2.639 1.00 14.11 C ATOM 148 C GLN A 11 27.679 -8.336 -2.818 1.00 5.05 C ATOM 149 O GLN A 11 27.451 -8.785 -3.940 1.00 51.54 O ATOM 150 CB GLN A 11 29.891 -7.213 -3.139 1.00 4.30 C ATOM 151 CG GLN A 11 30.035 -7.052 -4.644 1.00 23.42 C ATOM 152 CD GLN A 11 31.468 -7.211 -5.113 1.00 41.32 C ATOM 153 OE1 GLN A 11 31.826 -8.219 -5.724 1.00 12.54 O ATOM 154 NE2 GLN A 11 32.298 -6.213 -4.830 1.00 74.13 N ATOM 0 H GLN A 11 29.360 -6.692 -0.777 1.00 63.45 H new ATOM 0 HA GLN A 11 27.969 -6.258 -3.226 1.00 14.11 H new ATOM 0 HB2 GLN A 11 30.533 -6.486 -2.641 1.00 4.30 H new ATOM 0 HB3 GLN A 11 30.247 -8.202 -2.852 1.00 4.30 H new ATOM 0 HG2 GLN A 11 29.408 -7.789 -5.146 1.00 23.42 H new ATOM 0 HG3 GLN A 11 29.668 -6.069 -4.937 1.00 23.42 H new ATOM 0 HE21 GLN A 11 31.959 -5.396 -4.322 1.00 74.13 H new ATOM 0 HE22 GLN A 11 33.274 -6.263 -5.121 1.00 74.13 H new ATOM 163 N ALA A 12 27.276 -8.936 -1.703 1.00 23.54 N ATOM 164 CA ALA A 12 26.523 -10.184 -1.736 1.00 65.23 C ATOM 165 C ALA A 12 25.063 -9.954 -1.364 1.00 74.13 C ATOM 166 O ALA A 12 24.755 -9.548 -0.243 1.00 75.14 O ATOM 167 CB ALA A 12 27.153 -11.206 -0.802 1.00 25.14 C ATOM 0 H ALA A 12 27.458 -8.578 -0.765 1.00 23.54 H new ATOM 0 HA ALA A 12 26.555 -10.571 -2.754 1.00 65.23 H new ATOM 0 HB1 ALA A 12 26.580 -12.133 -0.837 1.00 25.14 H new ATOM 0 HB2 ALA A 12 28.179 -11.401 -1.115 1.00 25.14 H new ATOM 0 HB3 ALA A 12 27.152 -10.817 0.216 1.00 25.14 H new ATOM 173 N ILE A 13 24.168 -10.215 -2.311 1.00 73.11 N ATOM 174 CA ILE A 13 22.739 -10.036 -2.082 1.00 24.54 C ATOM 175 C ILE A 13 22.059 -11.369 -1.785 1.00 44.23 C ATOM 176 O ILE A 13 22.025 -12.262 -2.632 1.00 24.21 O ATOM 177 CB ILE A 13 22.052 -9.381 -3.294 1.00 2.41 C ATOM 178 CG1 ILE A 13 22.254 -7.864 -3.264 1.00 25.33 C ATOM 179 CG2 ILE A 13 20.570 -9.722 -3.311 1.00 72.53 C ATOM 180 CD1 ILE A 13 23.707 -7.447 -3.324 1.00 22.24 C ATOM 0 H ILE A 13 24.407 -10.551 -3.244 1.00 73.11 H new ATOM 0 HA ILE A 13 22.638 -9.378 -1.219 1.00 24.54 H new ATOM 0 HB ILE A 13 22.506 -9.772 -4.205 1.00 2.41 H new ATOM 0 HG12 ILE A 13 21.721 -7.418 -4.104 1.00 25.33 H new ATOM 0 HG13 ILE A 13 21.807 -7.464 -2.354 1.00 25.33 H new ATOM 0 HG21 ILE A 13 20.098 -9.252 -4.174 1.00 72.53 H new ATOM 0 HG22 ILE A 13 20.446 -10.803 -3.374 1.00 72.53 H new ATOM 0 HG23 ILE A 13 20.102 -9.356 -2.397 1.00 72.53 H new ATOM 0 HD11 ILE A 13 23.775 -6.359 -3.299 1.00 22.24 H new ATOM 0 HD12 ILE A 13 24.241 -7.864 -2.470 1.00 22.24 H new ATOM 0 HD13 ILE A 13 24.154 -7.817 -4.247 1.00 22.24 H new ATOM 192 N TYR A 14 21.518 -11.495 -0.579 1.00 55.41 N ATOM 193 CA TYR A 14 20.838 -12.718 -0.170 1.00 62.22 C ATOM 194 C TYR A 14 19.372 -12.694 -0.592 1.00 22.51 C ATOM 195 O TYR A 14 18.586 -11.882 -0.105 1.00 3.53 O ATOM 196 CB TYR A 14 20.942 -12.902 1.345 1.00 72.12 C ATOM 197 CG TYR A 14 22.358 -13.102 1.835 1.00 30.31 C ATOM 198 CD1 TYR A 14 23.220 -12.023 1.987 1.00 22.32 C ATOM 199 CD2 TYR A 14 22.834 -14.370 2.145 1.00 22.02 C ATOM 200 CE1 TYR A 14 24.515 -12.201 2.434 1.00 23.32 C ATOM 201 CE2 TYR A 14 24.127 -14.557 2.594 1.00 21.32 C ATOM 202 CZ TYR A 14 24.964 -13.470 2.737 1.00 72.02 C ATOM 203 OH TYR A 14 26.253 -13.653 3.182 1.00 11.45 O ATOM 0 H TYR A 14 21.537 -10.765 0.133 1.00 55.41 H new ATOM 0 HA TYR A 14 21.326 -13.558 -0.665 1.00 62.22 H new ATOM 0 HB2 TYR A 14 20.516 -12.029 1.839 1.00 72.12 H new ATOM 0 HB3 TYR A 14 20.340 -13.761 1.640 1.00 72.12 H new ATOM 0 HD1 TYR A 14 22.872 -11.028 1.752 1.00 22.32 H new ATOM 0 HD2 TYR A 14 22.182 -15.224 2.033 1.00 22.02 H new ATOM 0 HE1 TYR A 14 25.172 -11.351 2.546 1.00 23.32 H new ATOM 0 HE2 TYR A 14 24.481 -15.549 2.832 1.00 21.32 H new ATOM 0 HH TYR A 14 26.236 -14.031 4.086 1.00 11.45 H new ATOM 213 N LYS A 15 19.010 -13.593 -1.501 1.00 65.13 N ATOM 214 CA LYS A 15 17.639 -13.679 -1.989 1.00 62.14 C ATOM 215 C LYS A 15 17.234 -15.131 -2.221 1.00 64.34 C ATOM 216 O LYS A 15 18.083 -15.993 -2.448 1.00 75.10 O ATOM 217 CB LYS A 15 17.487 -12.883 -3.287 1.00 41.42 C ATOM 218 CG LYS A 15 16.669 -11.612 -3.129 1.00 65.30 C ATOM 219 CD LYS A 15 17.091 -10.549 -4.130 1.00 21.53 C ATOM 220 CE LYS A 15 16.049 -10.368 -5.223 1.00 32.15 C ATOM 221 NZ LYS A 15 16.641 -9.801 -6.465 1.00 43.15 N ATOM 0 H LYS A 15 19.648 -14.273 -1.915 1.00 65.13 H new ATOM 0 HA LYS A 15 16.983 -13.254 -1.230 1.00 62.14 H new ATOM 0 HB2 LYS A 15 18.477 -12.624 -3.662 1.00 41.42 H new ATOM 0 HB3 LYS A 15 17.017 -13.517 -4.039 1.00 41.42 H new ATOM 0 HG2 LYS A 15 15.612 -11.840 -3.263 1.00 65.30 H new ATOM 0 HG3 LYS A 15 16.786 -11.226 -2.116 1.00 65.30 H new ATOM 0 HD2 LYS A 15 17.246 -9.602 -3.613 1.00 21.53 H new ATOM 0 HD3 LYS A 15 18.045 -10.828 -4.578 1.00 21.53 H new ATOM 0 HE2 LYS A 15 15.587 -11.329 -5.447 1.00 32.15 H new ATOM 0 HE3 LYS A 15 15.257 -9.710 -4.865 1.00 32.15 H new ATOM 0 HZ1 LYS A 15 15.899 -9.693 -7.185 1.00 43.15 H new ATOM 0 HZ2 LYS A 15 17.060 -8.872 -6.257 1.00 43.15 H new ATOM 0 HZ3 LYS A 15 17.379 -10.441 -6.822 1.00 43.15 H new ATOM 235 N ASN A 16 15.933 -15.394 -2.165 1.00 32.45 N ATOM 236 CA ASN A 16 15.416 -16.743 -2.370 1.00 11.44 C ATOM 237 C ASN A 16 15.742 -17.242 -3.774 1.00 35.42 C ATOM 238 O ASN A 16 15.235 -16.716 -4.764 1.00 42.40 O ATOM 239 CB ASN A 16 13.903 -16.771 -2.144 1.00 52.12 C ATOM 240 CG ASN A 16 13.539 -17.001 -0.690 1.00 61.20 C ATOM 241 OD1 ASN A 16 14.060 -16.335 0.205 1.00 52.13 O ATOM 242 ND2 ASN A 16 12.641 -17.949 -0.448 1.00 0.01 N ATOM 0 H ASN A 16 15.217 -14.692 -1.979 1.00 32.45 H new ATOM 0 HA ASN A 16 15.896 -17.404 -1.648 1.00 11.44 H new ATOM 0 HB2 ASN A 16 13.471 -15.828 -2.479 1.00 52.12 H new ATOM 0 HB3 ASN A 16 13.462 -17.558 -2.755 1.00 52.12 H new ATOM 0 HD21 ASN A 16 12.357 -18.150 0.511 1.00 0.01 H new ATOM 0 HD22 ASN A 16 12.235 -18.476 -1.221 1.00 0.01 H new ATOM 249 N ALA A 17 16.590 -18.263 -3.851 1.00 13.40 N ATOM 250 CA ALA A 17 16.981 -18.835 -5.133 1.00 31.51 C ATOM 251 C ALA A 17 15.766 -19.347 -5.899 1.00 71.13 C ATOM 252 O ALA A 17 15.713 -19.263 -7.127 1.00 21.52 O ATOM 253 CB ALA A 17 17.987 -19.958 -4.924 1.00 51.25 C ATOM 0 H ALA A 17 17.019 -18.710 -3.041 1.00 13.40 H new ATOM 0 HA ALA A 17 17.447 -18.049 -5.727 1.00 31.51 H new ATOM 0 HB1 ALA A 17 18.271 -20.377 -5.890 1.00 51.25 H new ATOM 0 HB2 ALA A 17 18.873 -19.565 -4.425 1.00 51.25 H new ATOM 0 HB3 ALA A 17 17.539 -20.738 -4.308 1.00 51.25 H new ATOM 259 N HIS A 18 14.791 -19.878 -5.168 1.00 0.21 N ATOM 260 CA HIS A 18 13.576 -20.404 -5.780 1.00 12.53 C ATOM 261 C HIS A 18 12.685 -19.270 -6.280 1.00 65.24 C ATOM 262 O HIS A 18 11.907 -19.446 -7.219 1.00 21.33 O ATOM 263 CB HIS A 18 12.808 -21.267 -4.778 1.00 53.33 C ATOM 264 CG HIS A 18 11.462 -21.702 -5.271 1.00 40.02 C ATOM 265 ND1 HIS A 18 11.293 -22.587 -6.315 1.00 30.21 N ATOM 266 CD2 HIS A 18 10.217 -21.370 -4.856 1.00 22.10 C ATOM 267 CE1 HIS A 18 10.002 -22.780 -6.521 1.00 44.55 C ATOM 268 NE2 HIS A 18 9.328 -22.053 -5.649 1.00 11.30 N ATOM 0 H HIS A 18 14.819 -19.955 -4.151 1.00 0.21 H new ATOM 0 HA HIS A 18 13.865 -21.019 -6.632 1.00 12.53 H new ATOM 0 HB2 HIS A 18 13.402 -22.150 -4.541 1.00 53.33 H new ATOM 0 HB3 HIS A 18 12.683 -20.708 -3.850 1.00 53.33 H new ATOM 0 HD2 HIS A 18 9.969 -20.694 -4.051 1.00 22.10 H new ATOM 0 HE1 HIS A 18 9.572 -23.423 -7.274 1.00 44.55 H new ATOM 0 HE2 HIS A 18 8.312 -22.006 -5.576 1.00 11.30 H new ATOM 276 N LEU A 19 12.805 -18.108 -5.648 1.00 55.35 N ATOM 277 CA LEU A 19 12.010 -16.945 -6.029 1.00 70.02 C ATOM 278 C LEU A 19 12.756 -16.084 -7.043 1.00 3.30 C ATOM 279 O LEU A 19 12.191 -15.155 -7.621 1.00 40.04 O ATOM 280 CB LEU A 19 11.663 -16.113 -4.793 1.00 71.04 C ATOM 281 CG LEU A 19 10.188 -15.747 -4.623 1.00 60.12 C ATOM 282 CD1 LEU A 19 9.808 -15.732 -3.151 1.00 4.44 C ATOM 283 CD2 LEU A 19 9.896 -14.399 -5.265 1.00 55.14 C ATOM 0 H LEU A 19 13.444 -17.946 -4.870 1.00 55.35 H new ATOM 0 HA LEU A 19 11.089 -17.301 -6.490 1.00 70.02 H new ATOM 0 HB2 LEU A 19 11.985 -16.662 -3.908 1.00 71.04 H new ATOM 0 HB3 LEU A 19 12.244 -15.191 -4.825 1.00 71.04 H new ATOM 0 HG LEU A 19 9.585 -16.504 -5.125 1.00 60.12 H new ATOM 0 HD11 LEU A 19 8.755 -15.470 -3.050 1.00 4.44 H new ATOM 0 HD12 LEU A 19 9.979 -16.719 -2.721 1.00 4.44 H new ATOM 0 HD13 LEU A 19 10.417 -14.997 -2.625 1.00 4.44 H new ATOM 0 HD21 LEU A 19 8.842 -14.155 -5.134 1.00 55.14 H new ATOM 0 HD22 LEU A 19 10.508 -13.631 -4.792 1.00 55.14 H new ATOM 0 HD23 LEU A 19 10.129 -14.445 -6.329 1.00 55.14 H new ATOM 295 N THR A 20 14.030 -16.399 -7.256 1.00 22.11 N ATOM 296 CA THR A 20 14.854 -15.655 -8.200 1.00 61.44 C ATOM 297 C THR A 20 15.284 -16.536 -9.368 1.00 32.52 C ATOM 298 O THR A 20 14.771 -16.406 -10.480 1.00 30.11 O ATOM 299 CB THR A 20 16.109 -15.078 -7.518 1.00 60.54 C ATOM 300 OG1 THR A 20 16.825 -16.121 -6.847 1.00 34.14 O ATOM 301 CG2 THR A 20 15.733 -13.992 -6.523 1.00 15.24 C ATOM 0 H THR A 20 14.513 -17.165 -6.787 1.00 22.11 H new ATOM 0 HA THR A 20 14.243 -14.834 -8.574 1.00 61.44 H new ATOM 0 HB THR A 20 16.744 -14.639 -8.287 1.00 60.54 H new ATOM 0 HG1 THR A 20 16.360 -16.355 -6.017 1.00 34.14 H new ATOM 0 HG21 THR A 20 16.635 -13.600 -6.054 1.00 15.24 H new ATOM 0 HG22 THR A 20 15.214 -13.186 -7.043 1.00 15.24 H new ATOM 0 HG23 THR A 20 15.079 -14.410 -5.758 1.00 15.24 H new ATOM 309 N THR A 21 16.228 -17.435 -9.109 1.00 23.55 N ATOM 310 CA THR A 21 16.727 -18.338 -10.138 1.00 63.30 C ATOM 311 C THR A 21 16.758 -17.655 -11.500 1.00 62.35 C ATOM 312 O THR A 21 16.120 -18.095 -12.457 1.00 30.30 O ATOM 313 CB THR A 21 15.866 -19.612 -10.234 1.00 51.32 C ATOM 314 OG1 THR A 21 16.296 -20.411 -11.342 1.00 34.45 O ATOM 315 CG2 THR A 21 14.395 -19.259 -10.397 1.00 41.14 C ATOM 0 H THR A 21 16.663 -17.557 -8.194 1.00 23.55 H new ATOM 0 HA THR A 21 17.741 -18.615 -9.850 1.00 63.30 H new ATOM 0 HB THR A 21 15.988 -20.178 -9.310 1.00 51.32 H new ATOM 0 HG1 THR A 21 16.199 -19.899 -12.172 1.00 34.45 H new ATOM 0 HG21 THR A 21 13.806 -20.174 -10.463 1.00 41.14 H new ATOM 0 HG22 THR A 21 14.064 -18.675 -9.538 1.00 41.14 H new ATOM 0 HG23 THR A 21 14.260 -18.675 -11.307 1.00 41.14 H new ATOM 323 N PRO A 22 17.518 -16.554 -11.594 1.00 51.20 N ATOM 324 CA PRO A 22 17.651 -15.787 -12.836 1.00 70.24 C ATOM 325 C PRO A 22 18.441 -16.541 -13.901 1.00 34.10 C ATOM 326 O PRO A 22 18.664 -17.745 -13.785 1.00 74.30 O ATOM 327 CB PRO A 22 18.408 -14.531 -12.399 1.00 1.15 C ATOM 328 CG PRO A 22 19.164 -14.948 -11.184 1.00 54.11 C ATOM 329 CD PRO A 22 18.306 -15.972 -10.494 1.00 71.43 C ATOM 0 HA PRO A 22 16.683 -15.580 -13.292 1.00 70.24 H new ATOM 0 HB2 PRO A 22 19.080 -14.181 -13.183 1.00 1.15 H new ATOM 0 HB3 PRO A 22 17.723 -13.713 -12.178 1.00 1.15 H new ATOM 0 HG2 PRO A 22 20.133 -15.368 -11.453 1.00 54.11 H new ATOM 0 HG3 PRO A 22 19.355 -14.096 -10.532 1.00 54.11 H new ATOM 0 HD2 PRO A 22 18.909 -16.726 -9.989 1.00 71.43 H new ATOM 0 HD3 PRO A 22 17.666 -15.517 -9.738 1.00 71.43 H new ATOM 337 N ASN A 23 18.861 -15.824 -14.938 1.00 3.22 N ATOM 338 CA ASN A 23 19.627 -16.426 -16.024 1.00 15.04 C ATOM 339 C ASN A 23 20.822 -17.203 -15.481 1.00 32.32 C ATOM 340 O ASN A 23 20.822 -18.434 -15.471 1.00 63.44 O ATOM 341 CB ASN A 23 20.105 -15.347 -16.997 1.00 61.34 C ATOM 342 CG ASN A 23 18.983 -14.814 -17.867 1.00 33.04 C ATOM 343 OD1 ASN A 23 17.831 -14.742 -17.438 1.00 0.35 O ATOM 344 ND2 ASN A 23 19.314 -14.438 -19.096 1.00 45.41 N ATOM 0 H ASN A 23 18.684 -14.826 -15.050 1.00 3.22 H new ATOM 0 HA ASN A 23 18.975 -17.121 -16.554 1.00 15.04 H new ATOM 0 HB2 ASN A 23 20.547 -14.524 -16.435 1.00 61.34 H new ATOM 0 HB3 ASN A 23 20.890 -15.757 -17.632 1.00 61.34 H new ATOM 0 HD21 ASN A 23 18.601 -14.072 -19.727 1.00 45.41 H new ATOM 0 HD22 ASN A 23 20.281 -14.515 -19.410 1.00 45.41 H new ATOM 351 N ASP A 24 21.838 -16.476 -15.029 1.00 74.12 N ATOM 352 CA ASP A 24 23.039 -17.097 -14.483 1.00 11.32 C ATOM 353 C ASP A 24 23.962 -16.048 -13.871 1.00 45.34 C ATOM 354 O ASP A 24 25.170 -16.058 -14.107 1.00 63.40 O ATOM 355 CB ASP A 24 23.779 -17.872 -15.574 1.00 22.45 C ATOM 356 CG ASP A 24 24.417 -19.144 -15.048 1.00 40.44 C ATOM 357 OD1 ASP A 24 24.980 -19.108 -13.935 1.00 2.14 O ATOM 358 OD2 ASP A 24 24.354 -20.174 -15.752 1.00 12.13 O ATOM 0 H ASP A 24 21.854 -15.456 -15.030 1.00 74.12 H new ATOM 0 HA ASP A 24 22.736 -17.790 -13.698 1.00 11.32 H new ATOM 0 HB2 ASP A 24 23.082 -18.122 -16.374 1.00 22.45 H new ATOM 0 HB3 ASP A 24 24.549 -17.235 -16.009 1.00 22.45 H new ATOM 363 N GLN A 25 23.385 -15.143 -13.087 1.00 21.40 N ATOM 364 CA GLN A 25 24.157 -14.087 -12.444 1.00 12.43 C ATOM 365 C GLN A 25 24.301 -14.351 -10.949 1.00 11.24 C ATOM 366 O GLN A 25 24.485 -13.425 -10.158 1.00 45.20 O ATOM 367 CB GLN A 25 23.491 -12.729 -12.672 1.00 13.42 C ATOM 368 CG GLN A 25 23.885 -12.070 -13.984 1.00 24.11 C ATOM 369 CD GLN A 25 24.044 -10.568 -13.858 1.00 54.34 C ATOM 370 OE1 GLN A 25 25.033 -9.996 -14.317 1.00 2.35 O ATOM 371 NE2 GLN A 25 23.067 -9.919 -13.235 1.00 75.25 N ATOM 0 H GLN A 25 22.386 -15.120 -12.882 1.00 21.40 H new ATOM 0 HA GLN A 25 25.152 -14.076 -12.890 1.00 12.43 H new ATOM 0 HB2 GLN A 25 22.409 -12.856 -12.650 1.00 13.42 H new ATOM 0 HB3 GLN A 25 23.751 -12.064 -11.849 1.00 13.42 H new ATOM 0 HG2 GLN A 25 24.821 -12.502 -14.336 1.00 24.11 H new ATOM 0 HG3 GLN A 25 23.129 -12.290 -14.738 1.00 24.11 H new ATOM 0 HE21 GLN A 25 22.265 -10.433 -12.870 1.00 75.25 H new ATOM 0 HE22 GLN A 25 23.118 -8.907 -13.122 1.00 75.25 H new ATOM 380 N THR A 26 24.215 -15.621 -10.566 1.00 61.21 N ATOM 381 CA THR A 26 24.334 -16.007 -9.166 1.00 23.52 C ATOM 382 C THR A 26 25.765 -16.407 -8.826 1.00 25.14 C ATOM 383 O THR A 26 26.656 -16.341 -9.673 1.00 43.21 O ATOM 384 CB THR A 26 23.392 -17.177 -8.823 1.00 53.34 C ATOM 385 OG1 THR A 26 23.603 -18.260 -9.736 1.00 54.53 O ATOM 386 CG2 THR A 26 21.937 -16.734 -8.881 1.00 64.11 C ATOM 0 H THR A 26 24.063 -16.400 -11.207 1.00 61.21 H new ATOM 0 HA THR A 26 24.051 -15.137 -8.574 1.00 23.52 H new ATOM 0 HB THR A 26 23.615 -17.509 -7.809 1.00 53.34 H new ATOM 0 HG1 THR A 26 23.002 -19.000 -9.510 1.00 54.53 H new ATOM 0 HG21 THR A 26 21.290 -17.576 -8.635 1.00 64.11 H new ATOM 0 HG22 THR A 26 21.773 -15.929 -8.164 1.00 64.11 H new ATOM 0 HG23 THR A 26 21.705 -16.379 -9.885 1.00 64.11 H new ATOM 394 N ILE A 27 25.979 -16.822 -7.582 1.00 20.33 N ATOM 395 CA ILE A 27 27.303 -17.234 -7.131 1.00 75.40 C ATOM 396 C ILE A 27 27.232 -18.532 -6.332 1.00 41.44 C ATOM 397 O ILE A 27 27.744 -19.566 -6.762 1.00 20.54 O ATOM 398 CB ILE A 27 27.966 -16.147 -6.265 1.00 64.25 C ATOM 399 CG1 ILE A 27 28.245 -14.897 -7.103 1.00 34.21 C ATOM 400 CG2 ILE A 27 29.253 -16.674 -5.647 1.00 74.43 C ATOM 401 CD1 ILE A 27 27.471 -13.680 -6.647 1.00 4.23 C ATOM 0 H ILE A 27 25.253 -16.882 -6.868 1.00 20.33 H new ATOM 0 HA ILE A 27 27.906 -17.393 -8.025 1.00 75.40 H new ATOM 0 HB ILE A 27 27.283 -15.878 -5.460 1.00 64.25 H new ATOM 0 HG12 ILE A 27 29.311 -14.675 -7.065 1.00 34.21 H new ATOM 0 HG13 ILE A 27 27.999 -15.105 -8.144 1.00 34.21 H new ATOM 0 HG21 ILE A 27 29.710 -15.894 -5.038 1.00 74.43 H new ATOM 0 HG22 ILE A 27 29.029 -17.538 -5.022 1.00 74.43 H new ATOM 0 HG23 ILE A 27 29.943 -16.967 -6.438 1.00 74.43 H new ATOM 0 HD11 ILE A 27 27.718 -12.832 -7.285 1.00 4.23 H new ATOM 0 HD12 ILE A 27 26.402 -13.884 -6.711 1.00 4.23 H new ATOM 0 HD13 ILE A 27 27.735 -13.447 -5.615 1.00 4.23 H new ATOM 413 N LEU A 28 26.594 -18.470 -5.169 1.00 55.42 N ATOM 414 CA LEU A 28 26.454 -19.640 -4.310 1.00 34.11 C ATOM 415 C LEU A 28 25.082 -19.665 -3.643 1.00 21.03 C ATOM 416 O LEU A 28 24.570 -18.631 -3.212 1.00 4.30 O ATOM 417 CB LEU A 28 27.552 -19.650 -3.245 1.00 14.31 C ATOM 418 CG LEU A 28 27.502 -20.801 -2.240 1.00 61.11 C ATOM 419 CD1 LEU A 28 28.842 -21.519 -2.184 1.00 52.31 C ATOM 420 CD2 LEU A 28 27.111 -20.289 -0.861 1.00 61.43 C ATOM 0 H LEU A 28 26.165 -17.622 -4.799 1.00 55.42 H new ATOM 0 HA LEU A 28 26.552 -20.530 -4.932 1.00 34.11 H new ATOM 0 HB2 LEU A 28 28.518 -19.676 -3.748 1.00 14.31 H new ATOM 0 HB3 LEU A 28 27.504 -18.711 -2.694 1.00 14.31 H new ATOM 0 HG LEU A 28 26.745 -21.513 -2.569 1.00 61.11 H new ATOM 0 HD11 LEU A 28 28.788 -22.335 -1.464 1.00 52.31 H new ATOM 0 HD12 LEU A 28 29.081 -21.920 -3.169 1.00 52.31 H new ATOM 0 HD13 LEU A 28 29.618 -20.817 -1.879 1.00 52.31 H new ATOM 0 HD21 LEU A 28 27.080 -21.122 -0.159 1.00 61.43 H new ATOM 0 HD22 LEU A 28 27.844 -19.557 -0.523 1.00 61.43 H new ATOM 0 HD23 LEU A 28 26.128 -19.821 -0.912 1.00 61.43 H new ATOM 432 N LEU A 29 24.493 -20.852 -3.559 1.00 35.54 N ATOM 433 CA LEU A 29 23.181 -21.013 -2.941 1.00 74.23 C ATOM 434 C LEU A 29 23.050 -22.386 -2.288 1.00 45.43 C ATOM 435 O LEU A 29 23.625 -23.366 -2.761 1.00 52.22 O ATOM 436 CB LEU A 29 22.078 -20.826 -3.985 1.00 12.44 C ATOM 437 CG LEU A 29 21.752 -22.047 -4.845 1.00 24.55 C ATOM 438 CD1 LEU A 29 20.557 -21.766 -5.742 1.00 0.15 C ATOM 439 CD2 LEU A 29 22.961 -22.452 -5.675 1.00 64.23 C ATOM 0 H LEU A 29 24.902 -21.717 -3.911 1.00 35.54 H new ATOM 0 HA LEU A 29 23.076 -20.252 -2.168 1.00 74.23 H new ATOM 0 HB2 LEU A 29 21.168 -20.516 -3.471 1.00 12.44 H new ATOM 0 HB3 LEU A 29 22.366 -20.008 -4.646 1.00 12.44 H new ATOM 0 HG LEU A 29 21.496 -22.875 -4.184 1.00 24.55 H new ATOM 0 HD11 LEU A 29 20.341 -22.647 -6.346 1.00 0.15 H new ATOM 0 HD12 LEU A 29 19.689 -21.525 -5.128 1.00 0.15 H new ATOM 0 HD13 LEU A 29 20.783 -20.924 -6.396 1.00 0.15 H new ATOM 0 HD21 LEU A 29 22.711 -23.323 -6.281 1.00 64.23 H new ATOM 0 HD22 LEU A 29 23.248 -21.627 -6.327 1.00 64.23 H new ATOM 0 HD23 LEU A 29 23.791 -22.697 -5.013 1.00 64.23 H new ATOM 451 N ALA A 30 22.290 -22.448 -1.200 1.00 51.32 N ATOM 452 CA ALA A 30 22.081 -23.700 -0.485 1.00 33.40 C ATOM 453 C ALA A 30 20.613 -24.112 -0.517 1.00 71.41 C ATOM 454 O ALA A 30 19.769 -23.494 0.133 1.00 3.32 O ATOM 455 CB ALA A 30 22.564 -23.575 0.952 1.00 3.31 C ATOM 0 H ALA A 30 21.809 -21.645 -0.795 1.00 51.32 H new ATOM 0 HA ALA A 30 22.661 -24.476 -0.985 1.00 33.40 H new ATOM 0 HB1 ALA A 30 22.401 -24.518 1.474 1.00 3.31 H new ATOM 0 HB2 ALA A 30 23.627 -23.335 0.959 1.00 3.31 H new ATOM 0 HB3 ALA A 30 22.010 -22.782 1.454 1.00 3.31 H new ATOM 461 N LEU A 31 20.314 -25.160 -1.278 1.00 12.34 N ATOM 462 CA LEU A 31 18.946 -25.654 -1.395 1.00 64.41 C ATOM 463 C LEU A 31 18.333 -25.891 -0.019 1.00 31.22 C ATOM 464 O LEU A 31 17.121 -25.772 0.162 1.00 14.40 O ATOM 465 CB LEU A 31 18.920 -26.950 -2.208 1.00 30.13 C ATOM 466 CG LEU A 31 19.710 -26.938 -3.517 1.00 12.41 C ATOM 467 CD1 LEU A 31 19.552 -28.261 -4.248 1.00 73.45 C ATOM 468 CD2 LEU A 31 19.261 -25.782 -4.399 1.00 44.32 C ATOM 0 H LEU A 31 21.000 -25.683 -1.822 1.00 12.34 H new ATOM 0 HA LEU A 31 18.355 -24.897 -1.910 1.00 64.41 H new ATOM 0 HB2 LEU A 31 19.305 -27.755 -1.582 1.00 30.13 H new ATOM 0 HB3 LEU A 31 17.882 -27.191 -2.436 1.00 30.13 H new ATOM 0 HG LEU A 31 20.765 -26.801 -3.281 1.00 12.41 H new ATOM 0 HD11 LEU A 31 20.121 -28.234 -5.177 1.00 73.45 H new ATOM 0 HD12 LEU A 31 19.922 -29.071 -3.619 1.00 73.45 H new ATOM 0 HD13 LEU A 31 18.499 -28.429 -4.473 1.00 73.45 H new ATOM 0 HD21 LEU A 31 19.834 -25.788 -5.327 1.00 44.32 H new ATOM 0 HD22 LEU A 31 18.200 -25.889 -4.626 1.00 44.32 H new ATOM 0 HD23 LEU A 31 19.427 -24.840 -3.877 1.00 44.32 H new ATOM 480 N THR A 32 19.179 -26.226 0.951 1.00 75.21 N ATOM 481 CA THR A 32 18.720 -26.479 2.311 1.00 3.41 C ATOM 482 C THR A 32 17.941 -25.288 2.859 1.00 72.55 C ATOM 483 O THR A 32 17.098 -25.440 3.742 1.00 20.03 O ATOM 484 CB THR A 32 19.900 -26.783 3.254 1.00 51.41 C ATOM 485 OG1 THR A 32 20.685 -25.602 3.453 1.00 41.22 O ATOM 486 CG2 THR A 32 20.775 -27.890 2.686 1.00 11.02 C ATOM 0 H THR A 32 20.185 -26.328 0.819 1.00 75.21 H new ATOM 0 HA THR A 32 18.065 -27.349 2.267 1.00 3.41 H new ATOM 0 HB THR A 32 19.496 -27.115 4.210 1.00 51.41 H new ATOM 0 HG1 THR A 32 21.432 -25.803 4.055 1.00 41.22 H new ATOM 0 HG21 THR A 32 21.601 -28.087 3.369 1.00 11.02 H new ATOM 0 HG22 THR A 32 20.182 -28.796 2.563 1.00 11.02 H new ATOM 0 HG23 THR A 32 21.170 -27.581 1.718 1.00 11.02 H new ATOM 494 N ALA A 33 18.227 -24.104 2.327 1.00 22.52 N ATOM 495 CA ALA A 33 17.550 -22.889 2.761 1.00 5.40 C ATOM 496 C ALA A 33 16.977 -22.125 1.572 1.00 64.11 C ATOM 497 O ALA A 33 16.385 -21.058 1.734 1.00 22.03 O ATOM 498 CB ALA A 33 18.507 -22.004 3.547 1.00 31.23 C ATOM 0 H ALA A 33 18.923 -23.961 1.595 1.00 22.52 H new ATOM 0 HA ALA A 33 16.722 -23.176 3.409 1.00 5.40 H new ATOM 0 HB1 ALA A 33 17.988 -21.100 3.865 1.00 31.23 H new ATOM 0 HB2 ALA A 33 18.865 -22.544 4.423 1.00 31.23 H new ATOM 0 HB3 ALA A 33 19.354 -21.734 2.916 1.00 31.23 H new ATOM 504 N ASP A 34 17.158 -22.678 0.378 1.00 52.25 N ATOM 505 CA ASP A 34 16.658 -22.049 -0.840 1.00 1.35 C ATOM 506 C ASP A 34 17.114 -20.595 -0.926 1.00 75.43 C ATOM 507 O ASP A 34 16.375 -19.729 -1.397 1.00 60.23 O ATOM 508 CB ASP A 34 15.131 -22.121 -0.887 1.00 21.44 C ATOM 509 CG ASP A 34 14.630 -23.471 -1.362 1.00 21.15 C ATOM 510 OD1 ASP A 34 14.697 -24.439 -0.575 1.00 44.32 O ATOM 511 OD2 ASP A 34 14.171 -23.560 -2.520 1.00 24.21 O ATOM 0 H ASP A 34 17.647 -23.560 0.227 1.00 52.25 H new ATOM 0 HA ASP A 34 17.066 -22.591 -1.694 1.00 1.35 H new ATOM 0 HB2 ASP A 34 14.730 -21.916 0.106 1.00 21.44 H new ATOM 0 HB3 ASP A 34 14.754 -21.343 -1.550 1.00 21.44 H new ATOM 516 N LEU A 35 18.333 -20.335 -0.468 1.00 51.44 N ATOM 517 CA LEU A 35 18.887 -18.985 -0.493 1.00 62.42 C ATOM 518 C LEU A 35 20.119 -18.919 -1.391 1.00 32.04 C ATOM 519 O LEU A 35 21.004 -19.770 -1.308 1.00 41.15 O ATOM 520 CB LEU A 35 19.249 -18.536 0.923 1.00 4.53 C ATOM 521 CG LEU A 35 19.937 -17.175 1.040 1.00 12.31 C ATOM 522 CD1 LEU A 35 19.143 -16.110 0.300 1.00 75.04 C ATOM 523 CD2 LEU A 35 20.114 -16.790 2.502 1.00 72.41 C ATOM 0 H LEU A 35 18.957 -21.040 -0.075 1.00 51.44 H new ATOM 0 HA LEU A 35 18.129 -18.314 -0.898 1.00 62.42 H new ATOM 0 HB2 LEU A 35 18.337 -18.512 1.519 1.00 4.53 H new ATOM 0 HB3 LEU A 35 19.900 -19.289 1.366 1.00 4.53 H new ATOM 0 HG LEU A 35 20.923 -17.248 0.582 1.00 12.31 H new ATOM 0 HD11 LEU A 35 19.648 -15.149 0.394 1.00 75.04 H new ATOM 0 HD12 LEU A 35 19.068 -16.379 -0.754 1.00 75.04 H new ATOM 0 HD13 LEU A 35 18.143 -16.038 0.728 1.00 75.04 H new ATOM 0 HD21 LEU A 35 20.605 -15.819 2.566 1.00 72.41 H new ATOM 0 HD22 LEU A 35 19.138 -16.735 2.985 1.00 72.41 H new ATOM 0 HD23 LEU A 35 20.726 -17.540 3.004 1.00 72.41 H new ATOM 535 N GLN A 36 20.168 -17.902 -2.245 1.00 2.13 N ATOM 536 CA GLN A 36 21.292 -17.724 -3.156 1.00 64.21 C ATOM 537 C GLN A 36 21.905 -16.336 -3.001 1.00 21.34 C ATOM 538 O GLN A 36 21.237 -15.398 -2.566 1.00 1.42 O ATOM 539 CB GLN A 36 20.842 -17.937 -4.602 1.00 42.24 C ATOM 540 CG GLN A 36 19.808 -16.927 -5.072 1.00 74.03 C ATOM 541 CD GLN A 36 19.555 -17.002 -6.565 1.00 43.42 C ATOM 542 OE1 GLN A 36 19.377 -18.085 -7.123 1.00 13.20 O ATOM 543 NE2 GLN A 36 19.539 -15.847 -7.222 1.00 22.44 N ATOM 0 H GLN A 36 19.443 -17.189 -2.325 1.00 2.13 H new ATOM 0 HA GLN A 36 22.051 -18.466 -2.906 1.00 64.21 H new ATOM 0 HB2 GLN A 36 21.712 -17.885 -5.256 1.00 42.24 H new ATOM 0 HB3 GLN A 36 20.429 -18.941 -4.701 1.00 42.24 H new ATOM 0 HG2 GLN A 36 18.872 -17.097 -4.540 1.00 74.03 H new ATOM 0 HG3 GLN A 36 20.144 -15.922 -4.814 1.00 74.03 H new ATOM 0 HE21 GLN A 36 19.691 -14.972 -6.720 1.00 22.44 H new ATOM 0 HE22 GLN A 36 19.374 -15.835 -8.229 1.00 22.44 H new ATOM 552 N ILE A 37 23.179 -16.214 -3.358 1.00 0.11 N ATOM 553 CA ILE A 37 23.881 -14.940 -3.259 1.00 31.35 C ATOM 554 C ILE A 37 24.322 -14.447 -4.632 1.00 61.13 C ATOM 555 O ILE A 37 24.893 -15.202 -5.420 1.00 54.44 O ATOM 556 CB ILE A 37 25.115 -15.048 -2.343 1.00 51.53 C ATOM 557 CG1 ILE A 37 24.699 -15.493 -0.940 1.00 30.01 C ATOM 558 CG2 ILE A 37 25.849 -13.716 -2.286 1.00 64.44 C ATOM 559 CD1 ILE A 37 25.862 -15.644 0.016 1.00 71.24 C ATOM 0 H ILE A 37 23.746 -16.981 -3.718 1.00 0.11 H new ATOM 0 HA ILE A 37 23.180 -14.225 -2.828 1.00 31.35 H new ATOM 0 HB ILE A 37 25.791 -15.797 -2.755 1.00 51.53 H new ATOM 0 HG12 ILE A 37 23.995 -14.768 -0.531 1.00 30.01 H new ATOM 0 HG13 ILE A 37 24.172 -16.444 -1.011 1.00 30.01 H new ATOM 0 HG21 ILE A 37 26.719 -13.807 -1.635 1.00 64.44 H new ATOM 0 HG22 ILE A 37 26.174 -13.436 -3.288 1.00 64.44 H new ATOM 0 HG23 ILE A 37 25.181 -12.949 -1.894 1.00 64.44 H new ATOM 0 HD11 ILE A 37 25.493 -15.962 0.991 1.00 71.24 H new ATOM 0 HD12 ILE A 37 26.556 -16.391 -0.370 1.00 71.24 H new ATOM 0 HD13 ILE A 37 26.377 -14.688 0.117 1.00 71.24 H new ATOM 571 N ASP A 38 24.056 -13.176 -4.912 1.00 33.10 N ATOM 572 CA ASP A 38 24.428 -12.580 -6.190 1.00 31.11 C ATOM 573 C ASP A 38 25.446 -11.461 -5.992 1.00 33.22 C ATOM 574 O ASP A 38 25.807 -11.130 -4.864 1.00 3.34 O ATOM 575 CB ASP A 38 23.189 -12.039 -6.904 1.00 53.44 C ATOM 576 CG ASP A 38 22.369 -13.136 -7.554 1.00 62.22 C ATOM 577 OD1 ASP A 38 21.986 -14.089 -6.844 1.00 62.33 O ATOM 578 OD2 ASP A 38 22.111 -13.042 -8.773 1.00 25.53 O ATOM 0 H ASP A 38 23.584 -12.538 -4.271 1.00 33.10 H new ATOM 0 HA ASP A 38 24.883 -13.356 -6.806 1.00 31.11 H new ATOM 0 HB2 ASP A 38 22.567 -11.500 -6.189 1.00 53.44 H new ATOM 0 HB3 ASP A 38 23.496 -11.320 -7.664 1.00 53.44 H new ATOM 583 N GLY A 39 25.905 -10.883 -7.098 1.00 21.23 N ATOM 584 CA GLY A 39 26.878 -9.809 -7.024 1.00 12.31 C ATOM 585 C GLY A 39 26.307 -8.478 -7.473 1.00 22.21 C ATOM 586 O GLY A 39 25.340 -8.435 -8.234 1.00 62.15 O ATOM 0 H GLY A 39 25.620 -11.139 -8.043 1.00 21.23 H new ATOM 0 HA2 GLY A 39 27.238 -9.719 -5.999 1.00 12.31 H new ATOM 0 HA3 GLY A 39 27.739 -10.059 -7.644 1.00 12.31 H new ATOM 590 N CYS A 40 26.905 -7.390 -7.000 1.00 32.31 N ATOM 591 CA CYS A 40 26.448 -6.051 -7.356 1.00 23.35 C ATOM 592 C CYS A 40 27.602 -5.055 -7.316 1.00 3.04 C ATOM 593 O CYS A 40 28.724 -5.403 -6.945 1.00 73.13 O ATOM 594 CB CYS A 40 25.336 -5.600 -6.407 1.00 62.53 C ATOM 595 SG CYS A 40 25.906 -5.204 -4.738 1.00 15.14 S ATOM 0 H CYS A 40 27.707 -7.409 -6.370 1.00 32.31 H new ATOM 0 HA CYS A 40 26.056 -6.085 -8.373 1.00 23.35 H new ATOM 0 HB2 CYS A 40 24.846 -4.723 -6.830 1.00 62.53 H new ATOM 0 HB3 CYS A 40 24.584 -6.387 -6.346 1.00 62.53 H new ATOM 0 HG CYS A 40 25.881 -3.916 -4.565 1.00 15.14 H new ATOM 601 N ASP A 41 27.320 -3.815 -7.701 1.00 22.33 N ATOM 602 CA ASP A 41 28.335 -2.768 -7.710 1.00 12.24 C ATOM 603 C ASP A 41 28.578 -2.235 -6.301 1.00 50.21 C ATOM 604 O ASP A 41 29.572 -2.577 -5.662 1.00 2.24 O ATOM 605 CB ASP A 41 27.911 -1.626 -8.634 1.00 41.35 C ATOM 606 CG ASP A 41 28.660 -1.640 -9.952 1.00 42.35 C ATOM 607 OD1 ASP A 41 29.888 -1.413 -9.940 1.00 24.03 O ATOM 608 OD2 ASP A 41 28.018 -1.878 -10.997 1.00 24.24 O ATOM 0 H ASP A 41 26.397 -3.510 -8.011 1.00 22.33 H new ATOM 0 HA ASP A 41 29.264 -3.200 -8.081 1.00 12.24 H new ATOM 0 HB2 ASP A 41 26.841 -1.697 -8.827 1.00 41.35 H new ATOM 0 HB3 ASP A 41 28.082 -0.674 -8.132 1.00 41.35 H new ATOM 613 N GLN A 42 27.664 -1.395 -5.826 1.00 30.13 N ATOM 614 CA GLN A 42 27.781 -0.814 -4.494 1.00 11.34 C ATOM 615 C GLN A 42 26.976 -1.616 -3.477 1.00 31.12 C ATOM 616 O GLN A 42 25.987 -2.270 -3.808 1.00 71.25 O ATOM 617 CB GLN A 42 27.306 0.640 -4.505 1.00 54.22 C ATOM 618 CG GLN A 42 27.800 1.432 -5.705 1.00 2.43 C ATOM 619 CD GLN A 42 27.222 2.833 -5.758 1.00 73.30 C ATOM 620 OE1 GLN A 42 26.536 3.198 -6.714 1.00 20.45 O ATOM 621 NE2 GLN A 42 27.495 3.626 -4.729 1.00 3.10 N ATOM 0 H GLN A 42 26.835 -1.102 -6.343 1.00 30.13 H new ATOM 0 HA GLN A 42 28.831 -0.844 -4.204 1.00 11.34 H new ATOM 0 HB2 GLN A 42 26.216 0.658 -4.492 1.00 54.22 H new ATOM 0 HB3 GLN A 42 27.644 1.131 -3.592 1.00 54.22 H new ATOM 0 HG2 GLN A 42 28.888 1.493 -5.672 1.00 2.43 H new ATOM 0 HG3 GLN A 42 27.538 0.900 -6.620 1.00 2.43 H new ATOM 0 HE21 GLN A 42 28.068 3.282 -3.958 1.00 3.10 H new ATOM 0 HE22 GLN A 42 27.132 4.579 -4.709 1.00 3.10 H new ATOM 630 N PRO A 43 27.408 -1.567 -2.208 1.00 33.01 N ATOM 631 CA PRO A 43 26.741 -2.284 -1.117 1.00 1.34 C ATOM 632 C PRO A 43 25.379 -1.688 -0.779 1.00 75.21 C ATOM 633 O PRO A 43 25.009 -0.630 -1.287 1.00 63.55 O ATOM 634 CB PRO A 43 27.705 -2.114 0.060 1.00 2.12 C ATOM 635 CG PRO A 43 28.457 -0.864 -0.243 1.00 53.11 C ATOM 636 CD PRO A 43 28.580 -0.808 -1.741 1.00 14.43 C ATOM 0 HA PRO A 43 26.540 -3.324 -1.375 1.00 1.34 H new ATOM 0 HB2 PRO A 43 27.166 -2.033 1.004 1.00 2.12 H new ATOM 0 HB3 PRO A 43 28.376 -2.968 0.148 1.00 2.12 H new ATOM 0 HG2 PRO A 43 27.930 0.011 0.138 1.00 53.11 H new ATOM 0 HG3 PRO A 43 29.439 -0.875 0.229 1.00 53.11 H new ATOM 0 HD2 PRO A 43 28.566 0.219 -2.107 1.00 14.43 H new ATOM 0 HD3 PRO A 43 29.512 -1.256 -2.085 1.00 14.43 H new ATOM 644 N GLY A 44 24.635 -2.375 0.083 1.00 55.21 N ATOM 645 CA GLY A 44 23.321 -1.898 0.474 1.00 51.54 C ATOM 646 C GLY A 44 23.215 -1.648 1.965 1.00 54.21 C ATOM 647 O GLY A 44 24.031 -2.122 2.755 1.00 32.32 O ATOM 0 H GLY A 44 24.919 -3.253 0.517 1.00 55.21 H new ATOM 0 HA2 GLY A 44 23.098 -0.976 -0.063 1.00 51.54 H new ATOM 0 HA3 GLY A 44 22.569 -2.629 0.177 1.00 51.54 H new ATOM 651 N PRO A 45 22.189 -0.884 2.369 1.00 34.44 N ATOM 652 CA PRO A 45 21.955 -0.554 3.778 1.00 20.14 C ATOM 653 C PRO A 45 21.503 -1.763 4.590 1.00 31.20 C ATOM 654 O PRO A 45 21.763 -1.849 5.790 1.00 35.34 O ATOM 655 CB PRO A 45 20.842 0.495 3.717 1.00 41.11 C ATOM 656 CG PRO A 45 20.131 0.218 2.438 1.00 52.34 C ATOM 657 CD PRO A 45 21.177 -0.285 1.482 1.00 23.44 C ATOM 0 HA PRO A 45 22.863 -0.205 4.270 1.00 20.14 H new ATOM 0 HB2 PRO A 45 20.170 0.409 4.571 1.00 41.11 H new ATOM 0 HB3 PRO A 45 21.249 1.506 3.733 1.00 41.11 H new ATOM 0 HG2 PRO A 45 19.345 -0.523 2.581 1.00 52.34 H new ATOM 0 HG3 PRO A 45 19.653 1.119 2.054 1.00 52.34 H new ATOM 0 HD2 PRO A 45 20.767 -1.018 0.787 1.00 23.44 H new ATOM 0 HD3 PRO A 45 21.596 0.523 0.883 1.00 23.44 H new ATOM 665 N ASP A 46 20.826 -2.695 3.928 1.00 42.13 N ATOM 666 CA ASP A 46 20.339 -3.901 4.588 1.00 42.42 C ATOM 667 C ASP A 46 21.462 -4.590 5.358 1.00 55.33 C ATOM 668 O ASP A 46 22.488 -4.953 4.785 1.00 32.21 O ATOM 669 CB ASP A 46 19.742 -4.864 3.561 1.00 60.10 C ATOM 670 CG ASP A 46 18.824 -4.166 2.577 1.00 13.25 C ATOM 671 OD1 ASP A 46 18.002 -3.336 3.020 1.00 62.02 O ATOM 672 OD2 ASP A 46 18.926 -4.450 1.365 1.00 13.24 O ATOM 0 H ASP A 46 20.602 -2.638 2.935 1.00 42.13 H new ATOM 0 HA ASP A 46 19.563 -3.610 5.296 1.00 42.42 H new ATOM 0 HB2 ASP A 46 20.548 -5.355 3.016 1.00 60.10 H new ATOM 0 HB3 ASP A 46 19.187 -5.645 4.080 1.00 60.10 H new ATOM 677 N ASN A 47 21.259 -4.765 6.659 1.00 15.35 N ATOM 678 CA ASN A 47 22.254 -5.409 7.509 1.00 42.45 C ATOM 679 C ASN A 47 21.595 -6.396 8.467 1.00 63.34 C ATOM 680 O ASN A 47 21.090 -6.011 9.521 1.00 3.43 O ATOM 681 CB ASN A 47 23.036 -4.358 8.300 1.00 63.14 C ATOM 682 CG ASN A 47 24.404 -4.855 8.725 1.00 24.13 C ATOM 683 OD1 ASN A 47 24.705 -4.935 9.916 1.00 21.34 O ATOM 684 ND2 ASN A 47 25.241 -5.191 7.750 1.00 21.55 N ATOM 0 H ASN A 47 20.414 -4.470 7.148 1.00 15.35 H new ATOM 0 HA ASN A 47 22.943 -5.958 6.867 1.00 42.45 H new ATOM 0 HB2 ASN A 47 23.151 -3.461 7.692 1.00 63.14 H new ATOM 0 HB3 ASN A 47 22.465 -4.073 9.184 1.00 63.14 H new ATOM 0 HD21 ASN A 47 26.176 -5.531 7.975 1.00 21.55 H new ATOM 0 HD22 ASN A 47 24.949 -5.109 6.776 1.00 21.55 H new ATOM 691 N ILE A 48 21.605 -7.671 8.092 1.00 20.22 N ATOM 692 CA ILE A 48 21.010 -8.714 8.919 1.00 62.13 C ATOM 693 C ILE A 48 21.559 -8.668 10.341 1.00 73.22 C ATOM 694 O ILE A 48 22.766 -8.584 10.564 1.00 24.15 O ATOM 695 CB ILE A 48 21.263 -10.114 8.328 1.00 43.43 C ATOM 696 CG1 ILE A 48 20.695 -10.203 6.910 1.00 44.33 C ATOM 697 CG2 ILE A 48 20.649 -11.183 9.218 1.00 23.52 C ATOM 698 CD1 ILE A 48 21.573 -10.983 5.955 1.00 15.45 C ATOM 0 H ILE A 48 22.018 -8.006 7.222 1.00 20.22 H new ATOM 0 HA ILE A 48 19.937 -8.526 8.940 1.00 62.13 H new ATOM 0 HB ILE A 48 22.339 -10.283 8.280 1.00 43.43 H new ATOM 0 HG12 ILE A 48 19.711 -10.670 6.950 1.00 44.33 H new ATOM 0 HG13 ILE A 48 20.554 -9.195 6.520 1.00 44.33 H new ATOM 0 HG21 ILE A 48 20.836 -12.167 8.787 1.00 23.52 H new ATOM 0 HG22 ILE A 48 21.096 -11.131 10.211 1.00 23.52 H new ATOM 0 HG23 ILE A 48 19.574 -11.019 9.295 1.00 23.52 H new ATOM 0 HD11 ILE A 48 21.108 -11.005 4.969 1.00 15.45 H new ATOM 0 HD12 ILE A 48 22.550 -10.504 5.885 1.00 15.45 H new ATOM 0 HD13 ILE A 48 21.694 -12.002 6.322 1.00 15.45 H new ATOM 710 N PRO A 49 20.651 -8.727 11.327 1.00 5.40 N ATOM 711 CA PRO A 49 21.021 -8.696 12.745 1.00 11.23 C ATOM 712 C PRO A 49 21.728 -9.972 13.188 1.00 44.11 C ATOM 713 O PRO A 49 22.117 -10.796 12.360 1.00 20.53 O ATOM 714 CB PRO A 49 19.674 -8.556 13.460 1.00 43.34 C ATOM 715 CG PRO A 49 18.681 -9.135 12.513 1.00 61.53 C ATOM 716 CD PRO A 49 19.195 -8.828 11.133 1.00 2.25 C ATOM 0 HA PRO A 49 21.722 -7.891 12.965 1.00 11.23 H new ATOM 0 HB2 PRO A 49 19.673 -9.090 14.410 1.00 43.34 H new ATOM 0 HB3 PRO A 49 19.449 -7.512 13.680 1.00 43.34 H new ATOM 0 HG2 PRO A 49 18.581 -10.210 12.662 1.00 61.53 H new ATOM 0 HG3 PRO A 49 17.694 -8.699 12.668 1.00 61.53 H new ATOM 0 HD2 PRO A 49 18.938 -9.615 10.424 1.00 2.25 H new ATOM 0 HD3 PRO A 49 18.776 -7.900 10.745 1.00 2.25 H new ATOM 724 N ASP A 50 21.892 -10.129 14.497 1.00 50.52 N ATOM 725 CA ASP A 50 22.552 -11.306 15.050 1.00 53.24 C ATOM 726 C ASP A 50 21.687 -11.959 16.124 1.00 45.04 C ATOM 727 O ASP A 50 22.193 -12.656 17.004 1.00 63.35 O ATOM 728 CB ASP A 50 23.913 -10.927 15.634 1.00 43.51 C ATOM 729 CG ASP A 50 24.722 -10.051 14.697 1.00 13.40 C ATOM 730 OD1 ASP A 50 24.550 -10.181 13.467 1.00 31.32 O ATOM 731 OD2 ASP A 50 25.527 -9.235 15.194 1.00 52.14 O ATOM 0 H ASP A 50 21.577 -9.456 15.195 1.00 50.52 H new ATOM 0 HA ASP A 50 22.700 -12.023 14.242 1.00 53.24 H new ATOM 0 HB2 ASP A 50 23.767 -10.404 16.579 1.00 43.51 H new ATOM 0 HB3 ASP A 50 24.476 -11.834 15.855 1.00 43.51 H new ATOM 736 N CYS A 51 20.381 -11.728 16.046 1.00 2.33 N ATOM 737 CA CYS A 51 19.446 -12.292 17.012 1.00 52.41 C ATOM 738 C CYS A 51 18.102 -12.595 16.355 1.00 44.23 C ATOM 739 O CYS A 51 17.602 -11.809 15.549 1.00 24.41 O ATOM 740 CB CYS A 51 19.247 -11.328 18.183 1.00 10.05 C ATOM 741 SG CYS A 51 17.653 -11.522 19.044 1.00 61.51 S ATOM 0 H CYS A 51 19.946 -11.154 15.324 1.00 2.33 H new ATOM 0 HA CYS A 51 19.867 -13.225 17.386 1.00 52.41 H new ATOM 0 HB2 CYS A 51 20.055 -11.473 18.900 1.00 10.05 H new ATOM 0 HB3 CYS A 51 19.327 -10.305 17.815 1.00 10.05 H new ATOM 0 HG CYS A 51 17.663 -10.820 20.138 1.00 61.51 H new ATOM 746 N ASP A 52 17.524 -13.738 16.705 1.00 73.14 N ATOM 747 CA ASP A 52 16.238 -14.145 16.150 1.00 33.24 C ATOM 748 C ASP A 52 15.147 -14.097 17.216 1.00 50.21 C ATOM 749 O ASP A 52 14.754 -15.127 17.765 1.00 42.32 O ATOM 750 CB ASP A 52 16.334 -15.555 15.565 1.00 52.10 C ATOM 751 CG ASP A 52 17.265 -16.449 16.359 1.00 21.42 C ATOM 752 OD1 ASP A 52 18.480 -16.448 16.069 1.00 20.32 O ATOM 753 OD2 ASP A 52 16.779 -17.150 17.271 1.00 23.05 O ATOM 0 H ASP A 52 17.925 -14.399 17.370 1.00 73.14 H new ATOM 0 HA ASP A 52 15.976 -13.447 15.355 1.00 33.24 H new ATOM 0 HB2 ASP A 52 15.340 -16.003 15.538 1.00 52.10 H new ATOM 0 HB3 ASP A 52 16.684 -15.495 14.535 1.00 52.10 H new ATOM 758 N CYS A 53 14.662 -12.894 17.505 1.00 42.32 N ATOM 759 CA CYS A 53 13.618 -12.710 18.505 1.00 1.54 C ATOM 760 C CYS A 53 12.377 -13.524 18.153 1.00 60.41 C ATOM 761 O CYS A 53 12.363 -14.261 17.166 1.00 40.10 O ATOM 762 CB CYS A 53 13.253 -11.229 18.625 1.00 55.33 C ATOM 763 SG CYS A 53 14.385 -10.266 19.677 1.00 3.43 S ATOM 0 H CYS A 53 14.976 -12.032 17.060 1.00 42.32 H new ATOM 0 HA CYS A 53 14.002 -13.062 19.463 1.00 1.54 H new ATOM 0 HB2 CYS A 53 13.237 -10.788 17.628 1.00 55.33 H new ATOM 0 HB3 CYS A 53 12.243 -11.146 19.026 1.00 55.33 H new ATOM 0 HG CYS A 53 15.604 -10.679 19.494 1.00 3.43 H new ATOM 768 N THR A 54 11.335 -13.387 18.967 1.00 72.12 N ATOM 769 CA THR A 54 10.089 -14.110 18.742 1.00 24.15 C ATOM 770 C THR A 54 9.003 -13.182 18.212 1.00 14.13 C ATOM 771 O THR A 54 8.591 -13.288 17.057 1.00 65.20 O ATOM 772 CB THR A 54 9.589 -14.782 20.035 1.00 2.12 C ATOM 773 OG1 THR A 54 9.616 -13.844 21.117 1.00 52.12 O ATOM 774 CG2 THR A 54 10.446 -15.990 20.384 1.00 53.14 C ATOM 0 H THR A 54 11.329 -12.782 19.788 1.00 72.12 H new ATOM 0 HA THR A 54 10.299 -14.879 17.999 1.00 24.15 H new ATOM 0 HB THR A 54 8.565 -15.118 19.871 1.00 2.12 H new ATOM 0 HG1 THR A 54 9.295 -14.279 21.935 1.00 52.12 H new ATOM 0 HG21 THR A 54 10.074 -16.448 21.300 1.00 53.14 H new ATOM 0 HG22 THR A 54 10.400 -16.715 19.572 1.00 53.14 H new ATOM 0 HG23 THR A 54 11.479 -15.673 20.530 1.00 53.14 H new ATOM 782 N SER A 55 8.541 -12.271 19.064 1.00 63.33 N ATOM 783 CA SER A 55 7.499 -11.326 18.681 1.00 2.22 C ATOM 784 C SER A 55 8.038 -10.293 17.695 1.00 34.52 C ATOM 785 O SER A 55 8.683 -9.322 18.087 1.00 64.33 O ATOM 786 CB SER A 55 6.940 -10.622 19.919 1.00 22.13 C ATOM 787 OG SER A 55 7.983 -10.090 20.718 1.00 30.52 O ATOM 0 H SER A 55 8.872 -12.168 20.023 1.00 63.33 H new ATOM 0 HA SER A 55 6.698 -11.883 18.195 1.00 2.22 H new ATOM 0 HB2 SER A 55 6.267 -9.821 19.613 1.00 22.13 H new ATOM 0 HB3 SER A 55 6.351 -11.326 20.506 1.00 22.13 H new ATOM 0 HG SER A 55 8.603 -9.584 20.152 1.00 30.52 H new ATOM 793 N GLY A 56 7.766 -10.512 16.412 1.00 63.00 N ATOM 794 CA GLY A 56 8.230 -9.593 15.389 1.00 63.53 C ATOM 795 C GLY A 56 7.115 -9.138 14.469 1.00 35.32 C ATOM 796 O GLY A 56 5.973 -8.974 14.901 1.00 1.44 O ATOM 0 H GLY A 56 7.233 -11.309 16.063 1.00 63.00 H new ATOM 0 HA2 GLY A 56 8.682 -8.723 15.865 1.00 63.53 H new ATOM 0 HA3 GLY A 56 9.010 -10.075 14.799 1.00 63.53 H new ATOM 800 N CYS A 57 7.444 -8.933 13.199 1.00 51.02 N ATOM 801 CA CYS A 57 6.461 -8.491 12.216 1.00 70.21 C ATOM 802 C CYS A 57 6.829 -8.983 10.820 1.00 72.50 C ATOM 803 O CYS A 57 7.965 -8.824 10.374 1.00 42.13 O ATOM 804 CB CYS A 57 6.355 -6.966 12.220 1.00 13.53 C ATOM 805 SG CYS A 57 7.913 -6.116 11.875 1.00 22.14 S ATOM 0 H CYS A 57 8.384 -9.066 12.825 1.00 51.02 H new ATOM 0 HA CYS A 57 5.495 -8.916 12.489 1.00 70.21 H new ATOM 0 HB2 CYS A 57 5.616 -6.662 11.479 1.00 13.53 H new ATOM 0 HB3 CYS A 57 5.984 -6.641 13.192 1.00 13.53 H new ATOM 0 HG CYS A 57 8.902 -6.813 12.350 1.00 22.14 H new ATOM 811 N TYR A 58 5.861 -9.584 10.136 1.00 1.31 N ATOM 812 CA TYR A 58 6.084 -10.103 8.792 1.00 21.52 C ATOM 813 C TYR A 58 5.151 -9.434 7.788 1.00 61.35 C ATOM 814 O TYR A 58 4.032 -9.048 8.124 1.00 34.13 O ATOM 815 CB TYR A 58 5.876 -11.619 8.768 1.00 52.43 C ATOM 816 CG TYR A 58 4.482 -12.032 8.351 1.00 3.41 C ATOM 817 CD1 TYR A 58 3.458 -12.131 9.285 1.00 70.52 C ATOM 818 CD2 TYR A 58 4.190 -12.323 7.024 1.00 11.05 C ATOM 819 CE1 TYR A 58 2.183 -12.509 8.909 1.00 23.11 C ATOM 820 CE2 TYR A 58 2.918 -12.700 6.640 1.00 51.15 C ATOM 821 CZ TYR A 58 1.918 -12.792 7.585 1.00 2.33 C ATOM 822 OH TYR A 58 0.650 -13.168 7.206 1.00 21.31 O ATOM 0 H TYR A 58 4.915 -9.724 10.490 1.00 1.31 H new ATOM 0 HA TYR A 58 7.113 -9.879 8.509 1.00 21.52 H new ATOM 0 HB2 TYR A 58 6.598 -12.066 8.084 1.00 52.43 H new ATOM 0 HB3 TYR A 58 6.084 -12.022 9.759 1.00 52.43 H new ATOM 0 HD1 TYR A 58 3.662 -11.909 10.322 1.00 70.52 H new ATOM 0 HD2 TYR A 58 4.970 -12.253 6.281 1.00 11.05 H new ATOM 0 HE1 TYR A 58 1.398 -12.582 9.648 1.00 23.11 H new ATOM 0 HE2 TYR A 58 2.707 -12.922 5.604 1.00 51.15 H new ATOM 0 HH TYR A 58 0.632 -13.330 6.240 1.00 21.31 H new ATOM 832 N TYR A 59 5.621 -9.301 6.552 1.00 33.21 N ATOM 833 CA TYR A 59 4.831 -8.677 5.497 1.00 34.43 C ATOM 834 C TYR A 59 3.632 -9.546 5.129 1.00 53.14 C ATOM 835 O TYR A 59 3.764 -10.529 4.399 1.00 12.15 O ATOM 836 CB TYR A 59 5.696 -8.432 4.260 1.00 2.13 C ATOM 837 CG TYR A 59 4.922 -7.899 3.076 1.00 62.44 C ATOM 838 CD1 TYR A 59 4.177 -6.731 3.176 1.00 31.03 C ATOM 839 CD2 TYR A 59 4.935 -8.565 1.856 1.00 3.21 C ATOM 840 CE1 TYR A 59 3.467 -6.241 2.097 1.00 45.01 C ATOM 841 CE2 TYR A 59 4.230 -8.081 0.771 1.00 62.40 C ATOM 842 CZ TYR A 59 3.498 -6.919 0.896 1.00 33.43 C ATOM 843 OH TYR A 59 2.793 -6.435 -0.182 1.00 32.42 O ATOM 0 H TYR A 59 6.545 -9.617 6.256 1.00 33.21 H new ATOM 0 HA TYR A 59 4.464 -7.721 5.870 1.00 34.43 H new ATOM 0 HB2 TYR A 59 6.487 -7.726 4.514 1.00 2.13 H new ATOM 0 HB3 TYR A 59 6.181 -9.366 3.976 1.00 2.13 H new ATOM 0 HD1 TYR A 59 4.152 -6.196 4.114 1.00 31.03 H new ATOM 0 HD2 TYR A 59 5.506 -9.476 1.755 1.00 3.21 H new ATOM 0 HE1 TYR A 59 2.891 -5.332 2.193 1.00 45.01 H new ATOM 0 HE2 TYR A 59 4.252 -8.610 -0.170 1.00 62.40 H new ATOM 0 HH TYR A 59 2.054 -5.875 0.135 1.00 32.42 H new ATOM 853 N SER A 60 2.461 -9.175 5.638 1.00 44.31 N ATOM 854 CA SER A 60 1.238 -9.920 5.366 1.00 62.42 C ATOM 855 C SER A 60 0.673 -9.555 3.997 1.00 75.23 C ATOM 856 O SER A 60 0.283 -8.412 3.759 1.00 55.10 O ATOM 857 CB SER A 60 0.196 -9.645 6.451 1.00 13.20 C ATOM 858 OG SER A 60 -0.415 -8.380 6.262 1.00 72.20 O ATOM 0 H SER A 60 2.334 -8.362 6.241 1.00 44.31 H new ATOM 0 HA SER A 60 1.481 -10.983 5.368 1.00 62.42 H new ATOM 0 HB2 SER A 60 -0.565 -10.426 6.436 1.00 13.20 H new ATOM 0 HB3 SER A 60 0.670 -9.681 7.432 1.00 13.20 H new ATOM 0 HG SER A 60 0.239 -7.754 5.886 1.00 72.20 H new ATOM 864 N ARG A 61 0.631 -10.535 3.100 1.00 64.11 N ATOM 865 CA ARG A 61 0.115 -10.318 1.754 1.00 40.21 C ATOM 866 C ARG A 61 -1.403 -10.166 1.772 1.00 12.42 C ATOM 867 O ARG A 61 -1.982 -9.513 0.904 1.00 71.25 O ATOM 868 CB ARG A 61 0.511 -11.478 0.839 1.00 31.43 C ATOM 869 CG ARG A 61 1.820 -11.252 0.100 1.00 34.11 C ATOM 870 CD ARG A 61 1.680 -10.172 -0.961 1.00 63.24 C ATOM 871 NE ARG A 61 1.038 -10.675 -2.173 1.00 24.10 N ATOM 872 CZ ARG A 61 0.666 -9.898 -3.184 1.00 64.22 C ATOM 873 NH1 ARG A 61 0.872 -8.590 -3.130 1.00 11.54 N ATOM 874 NH2 ARG A 61 0.088 -10.430 -4.253 1.00 71.33 N ATOM 0 H ARG A 61 0.948 -11.487 3.281 1.00 64.11 H new ATOM 0 HA ARG A 61 0.551 -9.396 1.369 1.00 40.21 H new ATOM 0 HB2 ARG A 61 0.592 -12.388 1.434 1.00 31.43 H new ATOM 0 HB3 ARG A 61 -0.283 -11.643 0.111 1.00 31.43 H new ATOM 0 HG2 ARG A 61 2.596 -10.967 0.811 1.00 34.11 H new ATOM 0 HG3 ARG A 61 2.141 -12.183 -0.367 1.00 34.11 H new ATOM 0 HD2 ARG A 61 1.097 -9.343 -0.560 1.00 63.24 H new ATOM 0 HD3 ARG A 61 2.665 -9.778 -1.210 1.00 63.24 H new ATOM 0 HE ARG A 61 0.866 -11.678 -2.247 1.00 24.10 H new ATOM 0 HH11 ARG A 61 1.317 -8.177 -2.310 1.00 11.54 H new ATOM 0 HH12 ARG A 61 0.585 -7.996 -3.908 1.00 11.54 H new ATOM 0 HH21 ARG A 61 -0.071 -11.436 -4.299 1.00 71.33 H new ATOM 0 HH22 ARG A 61 -0.197 -9.833 -5.029 1.00 71.33 H new ATOM 888 N SER A 62 -2.042 -10.773 2.767 1.00 3.44 N ATOM 889 CA SER A 62 -3.493 -10.708 2.896 1.00 22.34 C ATOM 890 C SER A 62 -3.947 -9.288 3.220 1.00 30.35 C ATOM 891 O SER A 62 -5.079 -8.904 2.926 1.00 54.54 O ATOM 892 CB SER A 62 -3.972 -11.670 3.985 1.00 33.22 C ATOM 893 OG SER A 62 -4.232 -12.957 3.451 1.00 52.32 O ATOM 0 H SER A 62 -1.578 -11.315 3.496 1.00 3.44 H new ATOM 0 HA SER A 62 -3.932 -11.002 1.942 1.00 22.34 H new ATOM 0 HB2 SER A 62 -3.217 -11.743 4.768 1.00 33.22 H new ATOM 0 HB3 SER A 62 -4.876 -11.277 4.450 1.00 33.22 H new ATOM 0 HG SER A 62 -4.535 -13.553 4.167 1.00 52.32 H new ATOM 899 N LEU A 63 -3.056 -8.514 3.829 1.00 0.42 N ATOM 900 CA LEU A 63 -3.363 -7.135 4.194 1.00 34.03 C ATOM 901 C LEU A 63 -2.427 -6.162 3.484 1.00 35.05 C ATOM 902 O LEU A 63 -2.516 -4.949 3.675 1.00 53.11 O ATOM 903 CB LEU A 63 -3.255 -6.952 5.709 1.00 0.41 C ATOM 904 CG LEU A 63 -4.103 -7.896 6.562 1.00 51.31 C ATOM 905 CD1 LEU A 63 -5.484 -8.073 5.950 1.00 51.50 C ATOM 906 CD2 LEU A 63 -3.410 -9.242 6.717 1.00 12.32 C ATOM 0 H LEU A 63 -2.115 -8.817 4.081 1.00 0.42 H new ATOM 0 HA LEU A 63 -4.385 -6.921 3.880 1.00 34.03 H new ATOM 0 HB2 LEU A 63 -2.211 -7.075 5.996 1.00 0.41 H new ATOM 0 HB3 LEU A 63 -3.534 -5.927 5.952 1.00 0.41 H new ATOM 0 HG LEU A 63 -4.221 -7.454 7.551 1.00 51.31 H new ATOM 0 HD11 LEU A 63 -6.073 -8.748 6.571 1.00 51.50 H new ATOM 0 HD12 LEU A 63 -5.983 -7.106 5.891 1.00 51.50 H new ATOM 0 HD13 LEU A 63 -5.387 -8.492 4.949 1.00 51.50 H new ATOM 0 HD21 LEU A 63 -4.028 -9.901 7.327 1.00 12.32 H new ATOM 0 HD22 LEU A 63 -3.262 -9.690 5.735 1.00 12.32 H new ATOM 0 HD23 LEU A 63 -2.444 -9.100 7.201 1.00 12.32 H new ATOM 918 N ASP A 64 -1.533 -6.702 2.664 1.00 4.15 N ATOM 919 CA ASP A 64 -0.582 -5.881 1.923 1.00 71.41 C ATOM 920 C ASP A 64 0.136 -4.908 2.852 1.00 1.22 C ATOM 921 O ASP A 64 0.155 -3.701 2.608 1.00 21.24 O ATOM 922 CB ASP A 64 -1.298 -5.111 0.812 1.00 31.52 C ATOM 923 CG ASP A 64 -0.337 -4.332 -0.064 1.00 74.11 C ATOM 924 OD1 ASP A 64 0.710 -4.896 -0.445 1.00 30.32 O ATOM 925 OD2 ASP A 64 -0.633 -3.158 -0.370 1.00 71.20 O ATOM 0 H ASP A 64 -1.446 -7.704 2.495 1.00 4.15 H new ATOM 0 HA ASP A 64 0.160 -6.542 1.476 1.00 71.41 H new ATOM 0 HB2 ASP A 64 -1.862 -5.810 0.195 1.00 31.52 H new ATOM 0 HB3 ASP A 64 -2.019 -4.424 1.256 1.00 31.52 H new ATOM 930 N ARG A 65 0.725 -5.440 3.918 1.00 33.22 N ATOM 931 CA ARG A 65 1.442 -4.618 4.885 1.00 20.22 C ATOM 932 C ARG A 65 2.017 -5.477 6.008 1.00 42.40 C ATOM 933 O ARG A 65 1.568 -6.600 6.237 1.00 52.21 O ATOM 934 CB ARG A 65 0.513 -3.552 5.469 1.00 40.02 C ATOM 935 CG ARG A 65 -0.829 -4.099 5.928 1.00 3.42 C ATOM 936 CD ARG A 65 -1.081 -3.794 7.397 1.00 71.14 C ATOM 937 NE ARG A 65 -1.134 -2.358 7.656 1.00 14.04 N ATOM 938 CZ ARG A 65 -1.619 -1.831 8.775 1.00 20.14 C ATOM 939 NH1 ARG A 65 -2.089 -2.618 9.733 1.00 32.12 N ATOM 940 NH2 ARG A 65 -1.633 -0.514 8.938 1.00 34.31 N ATOM 0 H ARG A 65 0.720 -6.437 4.134 1.00 33.22 H new ATOM 0 HA ARG A 65 2.266 -4.128 4.367 1.00 20.22 H new ATOM 0 HB2 ARG A 65 1.009 -3.073 6.313 1.00 40.02 H new ATOM 0 HB3 ARG A 65 0.344 -2.779 4.719 1.00 40.02 H new ATOM 0 HG2 ARG A 65 -1.626 -3.666 5.323 1.00 3.42 H new ATOM 0 HG3 ARG A 65 -0.858 -5.177 5.769 1.00 3.42 H new ATOM 0 HD2 ARG A 65 -2.020 -4.253 7.707 1.00 71.14 H new ATOM 0 HD3 ARG A 65 -0.292 -4.243 8.001 1.00 71.14 H new ATOM 0 HE ARG A 65 -0.779 -1.725 6.939 1.00 14.04 H new ATOM 0 HH11 ARG A 65 -2.079 -3.631 9.612 1.00 32.12 H new ATOM 0 HH12 ARG A 65 -2.461 -2.211 10.591 1.00 32.12 H new ATOM 0 HH21 ARG A 65 -1.271 0.095 8.204 1.00 34.31 H new ATOM 0 HH22 ARG A 65 -2.006 -0.110 9.797 1.00 34.31 H new ATOM 954 N TYR A 66 3.013 -4.941 6.704 1.00 4.42 N ATOM 955 CA TYR A 66 3.652 -5.658 7.801 1.00 62.41 C ATOM 956 C TYR A 66 2.715 -5.767 9.000 1.00 3.31 C ATOM 957 O TYR A 66 2.069 -4.793 9.386 1.00 15.43 O ATOM 958 CB TYR A 66 4.947 -4.955 8.213 1.00 73.31 C ATOM 959 CG TYR A 66 6.186 -5.552 7.585 1.00 0.10 C ATOM 960 CD1 TYR A 66 6.557 -5.225 6.286 1.00 12.14 C ATOM 961 CD2 TYR A 66 6.986 -6.443 8.290 1.00 73.13 C ATOM 962 CE1 TYR A 66 7.688 -5.768 5.708 1.00 12.02 C ATOM 963 CE2 TYR A 66 8.119 -6.990 7.720 1.00 2.11 C ATOM 964 CZ TYR A 66 8.466 -6.649 6.429 1.00 30.53 C ATOM 965 OH TYR A 66 9.594 -7.193 5.858 1.00 74.12 O ATOM 0 H TYR A 66 3.396 -4.012 6.528 1.00 4.42 H new ATOM 0 HA TYR A 66 3.888 -6.664 7.455 1.00 62.41 H new ATOM 0 HB2 TYR A 66 4.882 -3.902 7.939 1.00 73.31 H new ATOM 0 HB3 TYR A 66 5.044 -4.996 9.298 1.00 73.31 H new ATOM 0 HD1 TYR A 66 5.951 -4.534 5.719 1.00 12.14 H new ATOM 0 HD2 TYR A 66 6.717 -6.712 9.301 1.00 73.13 H new ATOM 0 HE1 TYR A 66 7.961 -5.504 4.697 1.00 12.02 H new ATOM 0 HE2 TYR A 66 8.730 -7.681 8.282 1.00 2.11 H new ATOM 0 HH TYR A 66 10.214 -6.475 5.610 1.00 74.12 H new ATOM 975 N ILE A 67 2.649 -6.958 9.585 1.00 74.04 N ATOM 976 CA ILE A 67 1.793 -7.194 10.741 1.00 71.33 C ATOM 977 C ILE A 67 2.570 -7.854 11.874 1.00 24.24 C ATOM 978 O ILE A 67 3.434 -8.704 11.656 1.00 73.42 O ATOM 979 CB ILE A 67 0.587 -8.080 10.377 1.00 72.22 C ATOM 980 CG1 ILE A 67 1.028 -9.536 10.210 1.00 55.12 C ATOM 981 CG2 ILE A 67 -0.078 -7.573 9.106 1.00 73.42 C ATOM 982 CD1 ILE A 67 -0.093 -10.463 9.793 1.00 12.53 C ATOM 0 H ILE A 67 3.178 -7.774 9.278 1.00 74.04 H new ATOM 0 HA ILE A 67 1.432 -6.220 11.070 1.00 71.33 H new ATOM 0 HB ILE A 67 -0.139 -8.031 11.188 1.00 72.22 H new ATOM 0 HG12 ILE A 67 1.823 -9.583 9.466 1.00 55.12 H new ATOM 0 HG13 ILE A 67 1.450 -9.890 11.151 1.00 55.12 H new ATOM 0 HG21 ILE A 67 -0.929 -8.209 8.862 1.00 73.42 H new ATOM 0 HG22 ILE A 67 -0.422 -6.550 9.259 1.00 73.42 H new ATOM 0 HG23 ILE A 67 0.640 -7.596 8.286 1.00 73.42 H new ATOM 0 HD11 ILE A 67 0.292 -11.478 9.694 1.00 12.53 H new ATOM 0 HD12 ILE A 67 -0.879 -10.445 10.548 1.00 12.53 H new ATOM 0 HD13 ILE A 67 -0.500 -10.134 8.837 1.00 12.53 H new ATOM 994 N PRO A 68 2.258 -7.456 13.117 1.00 74.25 N ATOM 995 CA PRO A 68 2.914 -7.998 14.310 1.00 13.02 C ATOM 996 C PRO A 68 2.530 -9.450 14.574 1.00 65.23 C ATOM 997 O PRO A 68 1.349 -9.784 14.664 1.00 60.40 O ATOM 998 CB PRO A 68 2.401 -7.097 15.436 1.00 2.15 C ATOM 999 CG PRO A 68 1.095 -6.579 14.942 1.00 12.33 C ATOM 1000 CD PRO A 68 1.239 -6.447 13.451 1.00 11.03 C ATOM 0 HA PRO A 68 3.999 -8.005 14.211 1.00 13.02 H new ATOM 0 HB2 PRO A 68 2.280 -7.654 16.365 1.00 2.15 H new ATOM 0 HB3 PRO A 68 3.097 -6.284 15.641 1.00 2.15 H new ATOM 0 HG2 PRO A 68 0.283 -7.260 15.197 1.00 12.33 H new ATOM 0 HG3 PRO A 68 0.859 -5.617 15.398 1.00 12.33 H new ATOM 0 HD2 PRO A 68 0.297 -6.641 12.937 1.00 11.03 H new ATOM 0 HD3 PRO A 68 1.557 -5.444 13.165 1.00 11.03 H new ATOM 1008 N VAL A 69 3.537 -10.310 14.697 1.00 73.13 N ATOM 1009 CA VAL A 69 3.305 -11.727 14.952 1.00 52.24 C ATOM 1010 C VAL A 69 4.302 -12.273 15.967 1.00 44.03 C ATOM 1011 O VAL A 69 5.288 -11.615 16.298 1.00 62.32 O ATOM 1012 CB VAL A 69 3.403 -12.554 13.656 1.00 52.43 C ATOM 1013 CG1 VAL A 69 2.479 -11.987 12.589 1.00 15.51 C ATOM 1014 CG2 VAL A 69 4.840 -12.597 13.159 1.00 1.23 C ATOM 0 H VAL A 69 4.521 -10.050 14.624 1.00 73.13 H new ATOM 0 HA VAL A 69 2.296 -11.815 15.355 1.00 52.24 H new ATOM 0 HB VAL A 69 3.086 -13.574 13.872 1.00 52.43 H new ATOM 0 HG11 VAL A 69 2.562 -12.584 11.681 1.00 15.51 H new ATOM 0 HG12 VAL A 69 1.450 -12.013 12.948 1.00 15.51 H new ATOM 0 HG13 VAL A 69 2.762 -10.957 12.373 1.00 15.51 H new ATOM 0 HG21 VAL A 69 4.891 -13.185 12.243 1.00 1.23 H new ATOM 0 HG22 VAL A 69 5.186 -11.583 12.959 1.00 1.23 H new ATOM 0 HG23 VAL A 69 5.474 -13.054 13.919 1.00 1.23 H new ATOM 1024 N GLU A 70 4.039 -13.480 16.457 1.00 70.55 N ATOM 1025 CA GLU A 70 4.915 -14.115 17.435 1.00 54.11 C ATOM 1026 C GLU A 70 5.349 -15.498 16.960 1.00 71.52 C ATOM 1027 O GLU A 70 4.518 -16.329 16.591 1.00 74.10 O ATOM 1028 CB GLU A 70 4.208 -14.227 18.788 1.00 44.53 C ATOM 1029 CG GLU A 70 5.072 -14.841 19.876 1.00 21.03 C ATOM 1030 CD GLU A 70 4.269 -15.670 20.860 1.00 11.41 C ATOM 1031 OE1 GLU A 70 3.221 -15.179 21.331 1.00 22.31 O ATOM 1032 OE2 GLU A 70 4.688 -16.807 21.159 1.00 34.21 O ATOM 0 H GLU A 70 3.227 -14.038 16.193 1.00 70.55 H new ATOM 0 HA GLU A 70 5.803 -13.493 17.547 1.00 54.11 H new ATOM 0 HB2 GLU A 70 3.890 -13.234 19.105 1.00 44.53 H new ATOM 0 HB3 GLU A 70 3.307 -14.828 18.669 1.00 44.53 H new ATOM 0 HG2 GLU A 70 5.836 -15.468 19.417 1.00 21.03 H new ATOM 0 HG3 GLU A 70 5.591 -14.048 20.414 1.00 21.03 H new ATOM 1039 N CYS A 71 6.655 -15.738 16.971 1.00 24.02 N ATOM 1040 CA CYS A 71 7.201 -17.020 16.540 1.00 24.24 C ATOM 1041 C CYS A 71 7.996 -17.678 17.664 1.00 35.11 C ATOM 1042 O CYS A 71 8.395 -17.018 18.623 1.00 70.32 O ATOM 1043 CB CYS A 71 8.093 -16.832 15.312 1.00 11.52 C ATOM 1044 SG CYS A 71 7.386 -15.753 14.045 1.00 15.22 S ATOM 0 H CYS A 71 7.356 -15.062 17.274 1.00 24.02 H new ATOM 0 HA CYS A 71 6.367 -17.672 16.278 1.00 24.24 H new ATOM 0 HB2 CYS A 71 9.051 -16.421 15.631 1.00 11.52 H new ATOM 0 HB3 CYS A 71 8.296 -17.808 14.871 1.00 11.52 H new ATOM 0 HG CYS A 71 7.576 -16.279 12.872 1.00 15.22 H new ATOM 1050 N GLU A 72 8.219 -18.983 17.539 1.00 52.42 N ATOM 1051 CA GLU A 72 8.963 -19.730 18.546 1.00 41.31 C ATOM 1052 C GLU A 72 10.302 -20.207 17.990 1.00 11.23 C ATOM 1053 O GLU A 72 10.350 -20.942 17.005 1.00 43.25 O ATOM 1054 CB GLU A 72 8.145 -20.927 19.033 1.00 74.21 C ATOM 1055 CG GLU A 72 7.441 -21.678 17.915 1.00 35.24 C ATOM 1056 CD GLU A 72 7.181 -23.131 18.262 1.00 34.33 C ATOM 1057 OE1 GLU A 72 7.318 -23.491 19.451 1.00 42.54 O ATOM 1058 OE2 GLU A 72 6.840 -23.909 17.347 1.00 41.24 O ATOM 0 H GLU A 72 7.895 -19.544 16.751 1.00 52.42 H new ATOM 0 HA GLU A 72 9.155 -19.064 19.387 1.00 41.31 H new ATOM 0 HB2 GLU A 72 8.804 -21.615 19.563 1.00 74.21 H new ATOM 0 HB3 GLU A 72 7.402 -20.581 19.751 1.00 74.21 H new ATOM 0 HG2 GLU A 72 6.494 -21.186 17.692 1.00 35.24 H new ATOM 0 HG3 GLU A 72 8.047 -21.627 17.010 1.00 35.24 H new ATOM 1065 N ALA A 73 11.387 -19.782 18.630 1.00 35.44 N ATOM 1066 CA ALA A 73 12.726 -20.167 18.202 1.00 53.30 C ATOM 1067 C ALA A 73 12.917 -21.677 18.288 1.00 24.04 C ATOM 1068 O ALA A 73 13.079 -22.231 19.376 1.00 21.22 O ATOM 1069 CB ALA A 73 13.774 -19.451 19.041 1.00 51.22 C ATOM 0 H ALA A 73 11.364 -19.171 19.447 1.00 35.44 H new ATOM 0 HA ALA A 73 12.847 -19.871 17.160 1.00 53.30 H new ATOM 0 HB1 ALA A 73 14.769 -19.748 18.711 1.00 51.22 H new ATOM 0 HB2 ALA A 73 13.659 -18.373 18.924 1.00 51.22 H new ATOM 0 HB3 ALA A 73 13.645 -19.718 20.090 1.00 51.22 H new ATOM 1075 N HIS A 74 12.898 -22.338 17.136 1.00 73.55 N ATOM 1076 CA HIS A 74 13.069 -23.786 17.082 1.00 44.15 C ATOM 1077 C HIS A 74 14.442 -24.150 16.525 1.00 44.33 C ATOM 1078 O HIS A 74 14.737 -23.894 15.357 1.00 21.00 O ATOM 1079 CB HIS A 74 11.974 -24.419 16.223 1.00 11.10 C ATOM 1080 CG HIS A 74 10.787 -24.881 17.011 1.00 0.32 C ATOM 1081 ND1 HIS A 74 9.818 -25.715 16.494 1.00 4.21 N ATOM 1082 CD2 HIS A 74 10.416 -24.622 18.287 1.00 42.50 C ATOM 1083 CE1 HIS A 74 8.902 -25.947 17.417 1.00 22.30 C ATOM 1084 NE2 HIS A 74 9.242 -25.296 18.515 1.00 52.33 N ATOM 0 H HIS A 74 12.766 -21.895 16.227 1.00 73.55 H new ATOM 0 HA HIS A 74 12.993 -24.174 18.098 1.00 44.15 H new ATOM 0 HB2 HIS A 74 11.645 -23.696 15.477 1.00 11.10 H new ATOM 0 HB3 HIS A 74 12.393 -25.267 15.682 1.00 11.10 H new ATOM 0 HD1 HIS A 74 9.810 -26.094 15.547 1.00 4.21 H new ATOM 0 HD2 HIS A 74 10.945 -24.001 18.994 1.00 42.50 H new ATOM 0 HE1 HIS A 74 8.024 -26.564 17.295 1.00 22.30 H new ATOM 1092 N ASP A 75 15.278 -24.746 17.368 1.00 60.45 N ATOM 1093 CA ASP A 75 16.620 -25.146 16.960 1.00 50.44 C ATOM 1094 C ASP A 75 16.570 -26.025 15.714 1.00 3.10 C ATOM 1095 O ASP A 75 17.531 -26.087 14.947 1.00 5.24 O ATOM 1096 CB ASP A 75 17.322 -25.890 18.097 1.00 54.12 C ATOM 1097 CG ASP A 75 18.280 -25.002 18.866 1.00 53.53 C ATOM 1098 OD1 ASP A 75 19.268 -24.533 18.263 1.00 3.11 O ATOM 1099 OD2 ASP A 75 18.041 -24.774 20.070 1.00 75.11 O ATOM 0 H ASP A 75 15.050 -24.963 18.338 1.00 60.45 H new ATOM 0 HA ASP A 75 17.185 -24.244 16.724 1.00 50.44 H new ATOM 0 HB2 ASP A 75 16.574 -26.291 18.781 1.00 54.12 H new ATOM 0 HB3 ASP A 75 17.868 -26.740 17.688 1.00 54.12 H new ATOM 1104 N TRP A 76 15.445 -26.703 15.520 1.00 63.41 N ATOM 1105 CA TRP A 76 15.271 -27.581 14.368 1.00 42.54 C ATOM 1106 C TRP A 76 13.829 -28.065 14.266 1.00 63.43 C ATOM 1107 O TRP A 76 13.053 -27.936 15.212 1.00 34.13 O ATOM 1108 CB TRP A 76 16.219 -28.777 14.464 1.00 61.13 C ATOM 1109 CG TRP A 76 15.961 -29.645 15.658 1.00 4.45 C ATOM 1110 CD1 TRP A 76 16.551 -29.544 16.886 1.00 34.44 C ATOM 1111 CD2 TRP A 76 15.049 -30.745 15.738 1.00 70.14 C ATOM 1112 NE1 TRP A 76 16.059 -30.516 17.724 1.00 24.43 N ATOM 1113 CE2 TRP A 76 15.136 -31.265 17.044 1.00 62.42 C ATOM 1114 CE3 TRP A 76 14.165 -31.340 14.833 1.00 24.23 C ATOM 1115 CZ2 TRP A 76 14.374 -32.352 17.464 1.00 22.12 C ATOM 1116 CZ3 TRP A 76 13.410 -32.419 15.252 1.00 10.11 C ATOM 1117 CH2 TRP A 76 13.517 -32.915 16.558 1.00 64.40 C ATOM 0 H TRP A 76 14.640 -26.662 16.145 1.00 63.41 H new ATOM 0 HA TRP A 76 15.507 -27.011 13.469 1.00 42.54 H new ATOM 0 HB2 TRP A 76 16.126 -29.378 13.560 1.00 61.13 H new ATOM 0 HB3 TRP A 76 17.246 -28.415 14.502 1.00 61.13 H new ATOM 0 HD1 TRP A 76 17.294 -28.809 17.158 1.00 34.44 H new ATOM 0 HE1 TRP A 76 16.337 -30.657 18.695 1.00 24.43 H new ATOM 0 HE3 TRP A 76 14.074 -30.963 13.825 1.00 24.23 H new ATOM 0 HZ2 TRP A 76 14.456 -32.737 18.470 1.00 22.12 H new ATOM 0 HZ3 TRP A 76 12.726 -32.888 14.561 1.00 10.11 H new ATOM 0 HH2 TRP A 76 12.911 -33.758 16.855 1.00 64.40 H new ATOM 1128 N TYR A 77 13.478 -28.624 13.113 1.00 54.22 N ATOM 1129 CA TYR A 77 12.128 -29.126 12.887 1.00 35.13 C ATOM 1130 C TYR A 77 12.058 -29.942 11.600 1.00 53.32 C ATOM 1131 O TYR A 77 12.670 -29.604 10.587 1.00 41.05 O ATOM 1132 CB TYR A 77 11.133 -27.966 12.824 1.00 41.45 C ATOM 1133 CG TYR A 77 9.876 -28.200 13.630 1.00 21.35 C ATOM 1134 CD1 TYR A 77 9.944 -28.575 14.967 1.00 43.53 C ATOM 1135 CD2 TYR A 77 8.620 -28.047 13.056 1.00 10.35 C ATOM 1136 CE1 TYR A 77 8.798 -28.791 15.707 1.00 4.33 C ATOM 1137 CE2 TYR A 77 7.469 -28.259 13.790 1.00 73.41 C ATOM 1138 CZ TYR A 77 7.563 -28.632 15.115 1.00 41.34 C ATOM 1139 OH TYR A 77 6.419 -28.845 15.849 1.00 3.33 O ATOM 0 H TYR A 77 14.110 -28.741 12.321 1.00 54.22 H new ATOM 0 HA TYR A 77 11.865 -29.776 13.722 1.00 35.13 H new ATOM 0 HB2 TYR A 77 11.621 -27.060 13.183 1.00 41.45 H new ATOM 0 HB3 TYR A 77 10.860 -27.789 11.784 1.00 41.45 H new ATOM 0 HD1 TYR A 77 10.909 -28.700 15.435 1.00 43.53 H new ATOM 0 HD2 TYR A 77 8.542 -27.757 12.018 1.00 10.35 H new ATOM 0 HE1 TYR A 77 8.869 -29.083 16.744 1.00 4.33 H new ATOM 0 HE2 TYR A 77 6.500 -28.133 13.329 1.00 73.41 H new ATOM 0 HH TYR A 77 5.634 -28.690 15.284 1.00 3.33 H new ATOM 1149 N PRO A 78 11.292 -31.042 11.639 1.00 63.41 N ATOM 1150 CA PRO A 78 11.122 -31.930 10.484 1.00 10.53 C ATOM 1151 C PRO A 78 10.305 -31.282 9.371 1.00 21.14 C ATOM 1152 O PRO A 78 9.356 -30.544 9.634 1.00 54.44 O ATOM 1153 CB PRO A 78 10.374 -33.131 11.067 1.00 13.24 C ATOM 1154 CG PRO A 78 9.654 -32.589 12.254 1.00 71.20 C ATOM 1155 CD PRO A 78 10.534 -31.506 12.813 1.00 12.40 C ATOM 0 HA PRO A 78 12.076 -32.188 10.024 1.00 10.53 H new ATOM 0 HB2 PRO A 78 9.679 -33.555 10.342 1.00 13.24 H new ATOM 0 HB3 PRO A 78 11.063 -33.927 11.351 1.00 13.24 H new ATOM 0 HG2 PRO A 78 8.679 -32.192 11.971 1.00 71.20 H new ATOM 0 HG3 PRO A 78 9.478 -33.370 12.994 1.00 71.20 H new ATOM 0 HD2 PRO A 78 9.948 -30.701 13.257 1.00 12.40 H new ATOM 0 HD3 PRO A 78 11.194 -31.887 13.592 1.00 12.40 H new ATOM 1163 N VAL A 79 10.680 -31.564 8.128 1.00 70.04 N ATOM 1164 CA VAL A 79 9.981 -31.010 6.974 1.00 32.23 C ATOM 1165 C VAL A 79 9.705 -32.086 5.930 1.00 33.32 C ATOM 1166 O VAL A 79 10.630 -32.679 5.376 1.00 0.41 O ATOM 1167 CB VAL A 79 10.788 -29.872 6.322 1.00 61.33 C ATOM 1168 CG1 VAL A 79 12.202 -30.335 6.004 1.00 1.54 C ATOM 1169 CG2 VAL A 79 10.087 -29.374 5.067 1.00 61.01 C ATOM 0 H VAL A 79 11.464 -32.173 7.894 1.00 70.04 H new ATOM 0 HA VAL A 79 9.035 -30.611 7.339 1.00 32.23 H new ATOM 0 HB VAL A 79 10.852 -29.044 7.028 1.00 61.33 H new ATOM 0 HG11 VAL A 79 12.758 -29.518 5.544 1.00 1.54 H new ATOM 0 HG12 VAL A 79 12.701 -30.640 6.924 1.00 1.54 H new ATOM 0 HG13 VAL A 79 12.162 -31.179 5.316 1.00 1.54 H new ATOM 0 HG21 VAL A 79 10.671 -28.570 4.619 1.00 61.01 H new ATOM 0 HG22 VAL A 79 9.991 -30.193 4.354 1.00 61.01 H new ATOM 0 HG23 VAL A 79 9.096 -29.001 5.327 1.00 61.01 H new ATOM 1179 N GLU A 80 8.425 -32.333 5.667 1.00 63.23 N ATOM 1180 CA GLU A 80 8.028 -33.339 4.689 1.00 52.14 C ATOM 1181 C GLU A 80 8.575 -32.999 3.305 1.00 13.52 C ATOM 1182 O GLU A 80 8.811 -31.833 2.990 1.00 10.21 O ATOM 1183 CB GLU A 80 6.503 -33.453 4.632 1.00 30.03 C ATOM 1184 CG GLU A 80 5.833 -32.305 3.896 1.00 4.44 C ATOM 1185 CD GLU A 80 4.529 -31.879 4.542 1.00 20.43 C ATOM 1186 OE1 GLU A 80 3.761 -32.768 4.967 1.00 11.12 O ATOM 1187 OE2 GLU A 80 4.276 -30.659 4.623 1.00 61.33 O ATOM 0 H GLU A 80 7.647 -31.851 6.117 1.00 63.23 H new ATOM 0 HA GLU A 80 8.446 -34.296 5.001 1.00 52.14 H new ATOM 0 HB2 GLU A 80 6.235 -34.391 4.145 1.00 30.03 H new ATOM 0 HB3 GLU A 80 6.112 -33.499 5.649 1.00 30.03 H new ATOM 0 HG2 GLU A 80 6.513 -31.454 3.863 1.00 4.44 H new ATOM 0 HG3 GLU A 80 5.643 -32.601 2.864 1.00 4.44 H new ATOM 1194 N GLU A 81 8.774 -34.025 2.485 1.00 73.42 N ATOM 1195 CA GLU A 81 9.294 -33.835 1.136 1.00 61.00 C ATOM 1196 C GLU A 81 8.522 -32.741 0.404 1.00 12.03 C ATOM 1197 O GLU A 81 7.396 -32.955 -0.048 1.00 3.24 O ATOM 1198 CB GLU A 81 9.218 -35.144 0.347 1.00 53.55 C ATOM 1199 CG GLU A 81 7.846 -35.796 0.381 1.00 21.23 C ATOM 1200 CD GLU A 81 7.352 -36.190 -0.997 1.00 41.23 C ATOM 1201 OE1 GLU A 81 7.479 -35.370 -1.930 1.00 40.41 O ATOM 1202 OE2 GLU A 81 6.839 -37.319 -1.143 1.00 14.02 O ATOM 0 H GLU A 81 8.583 -34.996 2.731 1.00 73.42 H new ATOM 0 HA GLU A 81 10.337 -33.528 1.216 1.00 61.00 H new ATOM 0 HB2 GLU A 81 9.493 -34.950 -0.690 1.00 53.55 H new ATOM 0 HB3 GLU A 81 9.953 -35.843 0.747 1.00 53.55 H new ATOM 0 HG2 GLU A 81 7.884 -36.681 1.016 1.00 21.23 H new ATOM 0 HG3 GLU A 81 7.133 -35.109 0.836 1.00 21.23 H new ATOM 1209 N THR A 82 9.135 -31.567 0.291 1.00 14.54 N ATOM 1210 CA THR A 82 8.506 -30.438 -0.383 1.00 73.01 C ATOM 1211 C THR A 82 9.438 -29.233 -0.423 1.00 51.53 C ATOM 1212 O THR A 82 10.602 -29.324 -0.033 1.00 55.15 O ATOM 1213 CB THR A 82 7.190 -30.033 0.308 1.00 2.41 C ATOM 1214 OG1 THR A 82 6.439 -29.160 -0.543 1.00 13.55 O ATOM 1215 CG2 THR A 82 7.467 -29.342 1.635 1.00 14.10 C ATOM 0 H THR A 82 10.067 -31.373 0.658 1.00 14.54 H new ATOM 0 HA THR A 82 8.289 -30.759 -1.402 1.00 73.01 H new ATOM 0 HB THR A 82 6.612 -30.937 0.501 1.00 2.41 H new ATOM 0 HG1 THR A 82 6.595 -29.402 -1.480 1.00 13.55 H new ATOM 0 HG21 THR A 82 6.523 -29.065 2.105 1.00 14.10 H new ATOM 0 HG22 THR A 82 8.014 -30.019 2.291 1.00 14.10 H new ATOM 0 HG23 THR A 82 8.063 -28.446 1.461 1.00 14.10 H new ATOM 1223 N GLN A 83 8.919 -28.104 -0.896 1.00 75.33 N ATOM 1224 CA GLN A 83 9.706 -26.880 -0.987 1.00 30.42 C ATOM 1225 C GLN A 83 10.796 -27.011 -2.046 1.00 33.32 C ATOM 1226 O GLN A 83 10.679 -26.463 -3.142 1.00 72.32 O ATOM 1227 CB GLN A 83 10.333 -26.551 0.369 1.00 11.10 C ATOM 1228 CG GLN A 83 9.784 -25.282 1.001 1.00 51.12 C ATOM 1229 CD GLN A 83 10.754 -24.120 0.915 1.00 70.15 C ATOM 1230 OE1 GLN A 83 11.685 -24.014 1.713 1.00 44.51 O ATOM 1231 NE2 GLN A 83 10.541 -23.241 -0.058 1.00 35.23 N ATOM 0 H GLN A 83 7.957 -28.012 -1.222 1.00 75.33 H new ATOM 0 HA GLN A 83 9.038 -26.069 -1.278 1.00 30.42 H new ATOM 0 HB2 GLN A 83 10.167 -27.387 1.049 1.00 11.10 H new ATOM 0 HB3 GLN A 83 11.411 -26.449 0.246 1.00 11.10 H new ATOM 0 HG2 GLN A 83 8.851 -25.009 0.507 1.00 51.12 H new ATOM 0 HG3 GLN A 83 9.546 -25.475 2.047 1.00 51.12 H new ATOM 0 HE21 GLN A 83 9.757 -23.368 -0.697 1.00 35.23 H new ATOM 0 HE22 GLN A 83 11.162 -22.439 -0.166 1.00 35.23 H new ATOM 1240 N TYR A 84 11.855 -27.740 -1.711 1.00 35.02 N ATOM 1241 CA TYR A 84 12.967 -27.941 -2.632 1.00 52.50 C ATOM 1242 C TYR A 84 13.849 -29.099 -2.177 1.00 4.44 C ATOM 1243 O TYR A 84 15.042 -29.141 -2.479 1.00 23.14 O ATOM 1244 CB TYR A 84 13.800 -26.663 -2.744 1.00 43.21 C ATOM 1245 CG TYR A 84 14.456 -26.484 -4.095 1.00 12.02 C ATOM 1246 CD1 TYR A 84 13.800 -25.822 -5.125 1.00 41.41 C ATOM 1247 CD2 TYR A 84 15.732 -26.977 -4.340 1.00 54.23 C ATOM 1248 CE1 TYR A 84 14.395 -25.657 -6.361 1.00 10.31 C ATOM 1249 CE2 TYR A 84 16.335 -26.815 -5.573 1.00 31.24 C ATOM 1250 CZ TYR A 84 15.662 -26.155 -6.580 1.00 4.03 C ATOM 1251 OH TYR A 84 16.259 -25.991 -7.809 1.00 30.51 O ATOM 0 H TYR A 84 11.967 -28.202 -0.808 1.00 35.02 H new ATOM 0 HA TYR A 84 12.555 -28.186 -3.611 1.00 52.50 H new ATOM 0 HB2 TYR A 84 13.160 -25.804 -2.543 1.00 43.21 H new ATOM 0 HB3 TYR A 84 14.571 -26.673 -1.974 1.00 43.21 H new ATOM 0 HD1 TYR A 84 12.808 -25.430 -4.957 1.00 41.41 H new ATOM 0 HD2 TYR A 84 16.261 -27.495 -3.554 1.00 54.23 H new ATOM 0 HE1 TYR A 84 13.871 -25.141 -7.151 1.00 10.31 H new ATOM 0 HE2 TYR A 84 17.328 -27.203 -5.747 1.00 31.24 H new ATOM 0 HH TYR A 84 17.150 -26.399 -7.797 1.00 30.51 H new ATOM 1261 N TYR A 85 13.254 -30.037 -1.449 1.00 11.54 N ATOM 1262 CA TYR A 85 13.985 -31.195 -0.949 1.00 73.20 C ATOM 1263 C TYR A 85 13.032 -32.216 -0.334 1.00 65.32 C ATOM 1264 O TYR A 85 11.931 -31.889 0.109 1.00 44.22 O ATOM 1265 CB TYR A 85 15.023 -30.762 0.087 1.00 44.42 C ATOM 1266 CG TYR A 85 14.499 -29.754 1.085 1.00 43.44 C ATOM 1267 CD1 TYR A 85 13.482 -30.088 1.970 1.00 30.01 C ATOM 1268 CD2 TYR A 85 15.020 -28.467 1.141 1.00 24.04 C ATOM 1269 CE1 TYR A 85 12.999 -29.170 2.883 1.00 23.40 C ATOM 1270 CE2 TYR A 85 14.545 -27.543 2.052 1.00 70.41 C ATOM 1271 CZ TYR A 85 13.534 -27.900 2.920 1.00 4.44 C ATOM 1272 OH TYR A 85 13.057 -26.982 3.828 1.00 41.00 O ATOM 0 H TYR A 85 12.267 -30.018 -1.192 1.00 11.54 H new ATOM 0 HA TYR A 85 14.496 -31.662 -1.791 1.00 73.20 H new ATOM 0 HB2 TYR A 85 15.377 -31.642 0.624 1.00 44.42 H new ATOM 0 HB3 TYR A 85 15.883 -30.336 -0.429 1.00 44.42 H new ATOM 0 HD1 TYR A 85 13.061 -31.082 1.944 1.00 30.01 H new ATOM 0 HD2 TYR A 85 15.810 -28.184 0.461 1.00 24.04 H new ATOM 0 HE1 TYR A 85 12.207 -29.446 3.564 1.00 23.40 H new ATOM 0 HE2 TYR A 85 14.963 -26.548 2.084 1.00 70.41 H new ATOM 0 HH TYR A 85 13.541 -26.136 3.724 1.00 41.00 H new ATOM 1282 N PRO A 86 13.466 -33.485 -0.305 1.00 71.44 N ATOM 1283 CA PRO A 86 12.669 -34.581 0.253 1.00 30.55 C ATOM 1284 C PRO A 86 12.538 -34.489 1.770 1.00 42.51 C ATOM 1285 O PRO A 86 12.953 -33.503 2.380 1.00 10.11 O ATOM 1286 CB PRO A 86 13.460 -35.831 -0.139 1.00 63.54 C ATOM 1287 CG PRO A 86 14.863 -35.357 -0.299 1.00 43.25 C ATOM 1288 CD PRO A 86 14.767 -33.948 -0.816 1.00 4.23 C ATOM 0 HA PRO A 86 11.646 -34.572 -0.122 1.00 30.55 H new ATOM 0 HB2 PRO A 86 13.388 -36.602 0.628 1.00 63.54 H new ATOM 0 HB3 PRO A 86 13.081 -36.265 -1.064 1.00 63.54 H new ATOM 0 HG2 PRO A 86 15.396 -35.389 0.651 1.00 43.25 H new ATOM 0 HG3 PRO A 86 15.412 -35.991 -0.994 1.00 43.25 H new ATOM 0 HD2 PRO A 86 15.586 -33.329 -0.450 1.00 4.23 H new ATOM 0 HD3 PRO A 86 14.806 -33.916 -1.905 1.00 4.23 H new ATOM 1296 N LYS A 87 11.960 -35.521 2.374 1.00 75.15 N ATOM 1297 CA LYS A 87 11.775 -35.558 3.819 1.00 3.35 C ATOM 1298 C LYS A 87 13.113 -35.437 4.542 1.00 64.43 C ATOM 1299 O LYS A 87 14.062 -36.162 4.238 1.00 75.31 O ATOM 1300 CB LYS A 87 11.076 -36.854 4.232 1.00 35.54 C ATOM 1301 CG LYS A 87 9.849 -36.634 5.101 1.00 2.10 C ATOM 1302 CD LYS A 87 10.184 -35.826 6.344 1.00 70.22 C ATOM 1303 CE LYS A 87 8.950 -35.582 7.199 1.00 40.43 C ATOM 1304 NZ LYS A 87 8.936 -36.444 8.412 1.00 21.53 N ATOM 0 H LYS A 87 11.611 -36.345 1.884 1.00 75.15 H new ATOM 0 HA LYS A 87 11.151 -34.710 4.102 1.00 3.35 H new ATOM 0 HB2 LYS A 87 10.783 -37.400 3.336 1.00 35.54 H new ATOM 0 HB3 LYS A 87 11.784 -37.483 4.771 1.00 35.54 H new ATOM 0 HG2 LYS A 87 9.082 -36.116 4.525 1.00 2.10 H new ATOM 0 HG3 LYS A 87 9.432 -37.597 5.394 1.00 2.10 H new ATOM 0 HD2 LYS A 87 10.936 -36.354 6.931 1.00 70.22 H new ATOM 0 HD3 LYS A 87 10.620 -34.871 6.052 1.00 70.22 H new ATOM 0 HE2 LYS A 87 8.917 -34.534 7.498 1.00 40.43 H new ATOM 0 HE3 LYS A 87 8.055 -35.773 6.607 1.00 40.43 H new ATOM 0 HZ1 LYS A 87 8.079 -36.247 8.968 1.00 21.53 H new ATOM 0 HZ2 LYS A 87 8.942 -37.444 8.127 1.00 21.53 H new ATOM 0 HZ3 LYS A 87 9.777 -36.244 8.990 1.00 21.53 H new ATOM 1318 N HIS A 88 13.183 -34.519 5.500 1.00 42.21 N ATOM 1319 CA HIS A 88 14.405 -34.306 6.267 1.00 3.41 C ATOM 1320 C HIS A 88 14.167 -33.319 7.406 1.00 34.33 C ATOM 1321 O HIS A 88 13.028 -32.940 7.683 1.00 22.12 O ATOM 1322 CB HIS A 88 15.521 -33.791 5.357 1.00 72.12 C ATOM 1323 CG HIS A 88 16.758 -34.635 5.390 1.00 50.51 C ATOM 1324 ND1 HIS A 88 16.732 -36.012 5.324 1.00 11.42 N ATOM 1325 CD2 HIS A 88 18.063 -34.288 5.481 1.00 64.33 C ATOM 1326 CE1 HIS A 88 17.968 -36.476 5.375 1.00 74.10 C ATOM 1327 NE2 HIS A 88 18.795 -35.451 5.470 1.00 54.54 N ATOM 0 H HIS A 88 12.408 -33.911 5.764 1.00 42.21 H new ATOM 0 HA HIS A 88 14.707 -35.262 6.695 1.00 3.41 H new ATOM 0 HB2 HIS A 88 15.151 -33.743 4.333 1.00 72.12 H new ATOM 0 HB3 HIS A 88 15.778 -32.773 5.651 1.00 72.12 H new ATOM 0 HD1 HIS A 88 15.890 -36.583 5.248 1.00 11.42 H new ATOM 0 HD2 HIS A 88 18.456 -33.284 5.549 1.00 64.33 H new ATOM 0 HE1 HIS A 88 18.254 -37.517 5.344 1.00 74.10 H new ATOM 1335 N ILE A 89 15.246 -32.909 8.063 1.00 2.21 N ATOM 1336 CA ILE A 89 15.153 -31.967 9.171 1.00 4.25 C ATOM 1337 C ILE A 89 15.871 -30.662 8.845 1.00 2.43 C ATOM 1338 O ILE A 89 16.813 -30.642 8.054 1.00 45.21 O ATOM 1339 CB ILE A 89 15.748 -32.558 10.464 1.00 52.54 C ATOM 1340 CG1 ILE A 89 15.249 -33.989 10.672 1.00 3.14 C ATOM 1341 CG2 ILE A 89 15.389 -31.686 11.658 1.00 21.42 C ATOM 1342 CD1 ILE A 89 13.749 -34.088 10.838 1.00 30.10 C ATOM 0 H ILE A 89 16.195 -33.214 7.847 1.00 2.21 H new ATOM 0 HA ILE A 89 14.093 -31.767 9.327 1.00 4.25 H new ATOM 0 HB ILE A 89 16.834 -32.582 10.370 1.00 52.54 H new ATOM 0 HG12 ILE A 89 15.553 -34.598 9.821 1.00 3.14 H new ATOM 0 HG13 ILE A 89 15.732 -34.409 11.554 1.00 3.14 H new ATOM 0 HG21 ILE A 89 15.816 -32.116 12.564 1.00 21.42 H new ATOM 0 HG22 ILE A 89 15.789 -30.683 11.509 1.00 21.42 H new ATOM 0 HG23 ILE A 89 14.305 -31.634 11.757 1.00 21.42 H new ATOM 0 HD11 ILE A 89 13.467 -35.131 10.981 1.00 30.10 H new ATOM 0 HD12 ILE A 89 13.440 -33.506 11.706 1.00 30.10 H new ATOM 0 HD13 ILE A 89 13.258 -33.698 9.946 1.00 30.10 H new ATOM 1354 N GLN A 90 15.420 -29.574 9.462 1.00 32.20 N ATOM 1355 CA GLN A 90 16.020 -28.265 9.238 1.00 44.43 C ATOM 1356 C GLN A 90 16.471 -27.640 10.554 1.00 43.21 C ATOM 1357 O GLN A 90 16.198 -28.171 11.631 1.00 53.25 O ATOM 1358 CB GLN A 90 15.027 -27.338 8.534 1.00 61.53 C ATOM 1359 CG GLN A 90 15.011 -27.500 7.022 1.00 1.32 C ATOM 1360 CD GLN A 90 16.080 -26.672 6.336 1.00 72.23 C ATOM 1361 OE1 GLN A 90 15.895 -25.480 6.088 1.00 32.32 O ATOM 1362 NE2 GLN A 90 17.207 -27.301 6.024 1.00 72.40 N ATOM 0 H GLN A 90 14.641 -29.574 10.121 1.00 32.20 H new ATOM 0 HA GLN A 90 16.895 -28.399 8.602 1.00 44.43 H new ATOM 0 HB2 GLN A 90 14.026 -27.529 8.922 1.00 61.53 H new ATOM 0 HB3 GLN A 90 15.272 -26.304 8.778 1.00 61.53 H new ATOM 0 HG2 GLN A 90 15.154 -28.551 6.771 1.00 1.32 H new ATOM 0 HG3 GLN A 90 14.032 -27.211 6.640 1.00 1.32 H new ATOM 0 HE21 GLN A 90 17.318 -28.290 6.248 1.00 72.40 H new ATOM 0 HE22 GLN A 90 17.962 -26.795 5.560 1.00 72.40 H new ATOM 1371 N TYR A 91 17.164 -26.510 10.460 1.00 35.11 N ATOM 1372 CA TYR A 91 17.655 -25.814 11.643 1.00 20.34 C ATOM 1373 C TYR A 91 17.306 -24.330 11.587 1.00 62.21 C ATOM 1374 O TYR A 91 17.040 -23.784 10.517 1.00 23.02 O ATOM 1375 CB TYR A 91 19.169 -25.989 11.772 1.00 62.25 C ATOM 1376 CG TYR A 91 19.642 -27.398 11.491 1.00 12.14 C ATOM 1377 CD1 TYR A 91 19.033 -28.489 12.098 1.00 33.44 C ATOM 1378 CD2 TYR A 91 20.698 -27.637 10.621 1.00 72.41 C ATOM 1379 CE1 TYR A 91 19.462 -29.778 11.846 1.00 35.31 C ATOM 1380 CE2 TYR A 91 21.132 -28.923 10.362 1.00 43.24 C ATOM 1381 CZ TYR A 91 20.511 -29.990 10.977 1.00 42.23 C ATOM 1382 OH TYR A 91 20.942 -31.272 10.722 1.00 10.31 O ATOM 0 H TYR A 91 17.398 -26.057 9.577 1.00 35.11 H new ATOM 0 HA TYR A 91 17.170 -26.250 12.517 1.00 20.34 H new ATOM 0 HB2 TYR A 91 19.665 -25.304 11.084 1.00 62.25 H new ATOM 0 HB3 TYR A 91 19.474 -25.706 12.779 1.00 62.25 H new ATOM 0 HD1 TYR A 91 18.210 -28.327 12.778 1.00 33.44 H new ATOM 0 HD2 TYR A 91 21.188 -26.804 10.139 1.00 72.41 H new ATOM 0 HE1 TYR A 91 18.978 -30.615 12.327 1.00 35.31 H new ATOM 0 HE2 TYR A 91 21.953 -29.092 9.681 1.00 43.24 H new ATOM 0 HH TYR A 91 21.688 -31.246 10.087 1.00 10.31 H new ATOM 1392 N ASN A 92 17.310 -23.683 12.748 1.00 23.51 N ATOM 1393 CA ASN A 92 16.995 -22.262 12.832 1.00 34.15 C ATOM 1394 C ASN A 92 15.652 -21.963 12.172 1.00 44.12 C ATOM 1395 O ASN A 92 15.599 -21.414 11.070 1.00 13.25 O ATOM 1396 CB ASN A 92 18.097 -21.433 12.171 1.00 65.32 C ATOM 1397 CG ASN A 92 19.444 -22.131 12.204 1.00 54.12 C ATOM 1398 OD1 ASN A 92 19.932 -22.610 11.180 1.00 21.25 O ATOM 1399 ND2 ASN A 92 20.050 -22.191 13.384 1.00 50.23 N ATOM 0 H ASN A 92 17.528 -24.120 13.643 1.00 23.51 H new ATOM 0 HA ASN A 92 16.930 -21.992 13.886 1.00 34.15 H new ATOM 0 HB2 ASN A 92 17.822 -21.228 11.136 1.00 65.32 H new ATOM 0 HB3 ASN A 92 18.177 -20.471 12.677 1.00 65.32 H new ATOM 0 HD21 ASN A 92 20.958 -22.648 13.468 1.00 50.23 H new ATOM 0 HD22 ASN A 92 19.608 -21.780 14.206 1.00 50.23 H new ATOM 1406 N LEU A 93 14.571 -22.327 12.852 1.00 54.34 N ATOM 1407 CA LEU A 93 13.227 -22.097 12.332 1.00 41.13 C ATOM 1408 C LEU A 93 12.380 -21.320 13.335 1.00 25.20 C ATOM 1409 O LEU A 93 12.436 -21.574 14.539 1.00 23.30 O ATOM 1410 CB LEU A 93 12.552 -23.429 12.001 1.00 61.11 C ATOM 1411 CG LEU A 93 13.357 -24.390 11.124 1.00 15.42 C ATOM 1412 CD1 LEU A 93 12.523 -25.610 10.766 1.00 23.53 C ATOM 1413 CD2 LEU A 93 13.841 -23.684 9.866 1.00 72.53 C ATOM 0 H LEU A 93 14.598 -22.782 13.764 1.00 54.34 H new ATOM 0 HA LEU A 93 13.313 -21.504 11.421 1.00 41.13 H new ATOM 0 HB2 LEU A 93 12.314 -23.935 12.937 1.00 61.11 H new ATOM 0 HB3 LEU A 93 11.606 -23.220 11.502 1.00 61.11 H new ATOM 0 HG LEU A 93 14.228 -24.724 11.687 1.00 15.42 H new ATOM 0 HD11 LEU A 93 13.111 -26.283 10.142 1.00 23.53 H new ATOM 0 HD12 LEU A 93 12.226 -26.128 11.678 1.00 23.53 H new ATOM 0 HD13 LEU A 93 11.633 -25.295 10.221 1.00 23.53 H new ATOM 0 HD21 LEU A 93 14.412 -24.382 9.254 1.00 72.53 H new ATOM 0 HD22 LEU A 93 12.983 -23.322 9.299 1.00 72.53 H new ATOM 0 HD23 LEU A 93 14.475 -22.842 10.143 1.00 72.53 H new ATOM 1425 N LEU A 94 11.595 -20.374 12.832 1.00 64.24 N ATOM 1426 CA LEU A 94 10.734 -19.561 13.683 1.00 23.24 C ATOM 1427 C LEU A 94 9.264 -19.791 13.349 1.00 31.43 C ATOM 1428 O LEU A 94 8.724 -19.181 12.426 1.00 43.10 O ATOM 1429 CB LEU A 94 11.079 -18.079 13.525 1.00 62.32 C ATOM 1430 CG LEU A 94 12.140 -17.531 14.480 1.00 63.24 C ATOM 1431 CD1 LEU A 94 11.502 -17.077 15.783 1.00 21.53 C ATOM 1432 CD2 LEU A 94 13.212 -18.579 14.744 1.00 13.05 C ATOM 0 H LEU A 94 11.537 -20.151 11.838 1.00 64.24 H new ATOM 0 HA LEU A 94 10.903 -19.858 14.718 1.00 23.24 H new ATOM 0 HB2 LEU A 94 11.419 -17.913 12.503 1.00 62.32 H new ATOM 0 HB3 LEU A 94 10.166 -17.498 13.656 1.00 62.32 H new ATOM 0 HG LEU A 94 12.612 -16.668 14.011 1.00 63.24 H new ATOM 0 HD11 LEU A 94 12.272 -16.690 16.450 1.00 21.53 H new ATOM 0 HD12 LEU A 94 10.773 -16.293 15.577 1.00 21.53 H new ATOM 0 HD13 LEU A 94 11.002 -17.922 16.257 1.00 21.53 H new ATOM 0 HD21 LEU A 94 13.959 -18.172 15.426 1.00 13.05 H new ATOM 0 HD22 LEU A 94 12.755 -19.462 15.191 1.00 13.05 H new ATOM 0 HD23 LEU A 94 13.690 -18.855 13.804 1.00 13.05 H new ATOM 1444 N ILE A 95 8.621 -20.674 14.107 1.00 5.41 N ATOM 1445 CA ILE A 95 7.213 -20.981 13.893 1.00 31.32 C ATOM 1446 C ILE A 95 6.316 -19.973 14.603 1.00 31.13 C ATOM 1447 O ILE A 95 6.302 -19.895 15.831 1.00 62.30 O ATOM 1448 CB ILE A 95 6.865 -22.398 14.387 1.00 72.12 C ATOM 1449 CG1 ILE A 95 7.376 -23.447 13.397 1.00 41.43 C ATOM 1450 CG2 ILE A 95 5.363 -22.536 14.584 1.00 34.01 C ATOM 1451 CD1 ILE A 95 6.567 -23.518 12.120 1.00 3.44 C ATOM 0 H ILE A 95 9.053 -21.189 14.874 1.00 5.41 H new ATOM 0 HA ILE A 95 7.038 -20.926 12.819 1.00 31.32 H new ATOM 0 HB ILE A 95 7.355 -22.562 15.347 1.00 72.12 H new ATOM 0 HG12 ILE A 95 8.414 -23.225 13.148 1.00 41.43 H new ATOM 0 HG13 ILE A 95 7.366 -24.425 13.879 1.00 41.43 H new ATOM 0 HG21 ILE A 95 5.133 -23.543 14.933 1.00 34.01 H new ATOM 0 HG22 ILE A 95 5.025 -21.809 15.323 1.00 34.01 H new ATOM 0 HG23 ILE A 95 4.854 -22.355 13.637 1.00 34.01 H new ATOM 0 HD11 ILE A 95 6.986 -24.282 11.466 1.00 3.44 H new ATOM 0 HD12 ILE A 95 5.534 -23.771 12.358 1.00 3.44 H new ATOM 0 HD13 ILE A 95 6.598 -22.552 11.616 1.00 3.44 H new ATOM 1463 N GLY A 96 5.566 -19.203 13.821 1.00 15.33 N ATOM 1464 CA GLY A 96 4.674 -18.210 14.393 1.00 61.41 C ATOM 1465 C GLY A 96 3.255 -18.339 13.876 1.00 61.34 C ATOM 1466 O GLY A 96 3.032 -18.399 12.667 1.00 12.30 O ATOM 0 H GLY A 96 5.560 -19.249 12.802 1.00 15.33 H new ATOM 0 HA2 GLY A 96 4.672 -18.310 15.478 1.00 61.41 H new ATOM 0 HA3 GLY A 96 5.051 -17.213 14.165 1.00 61.41 H new ATOM 1470 N GLU A 97 2.294 -18.384 14.793 1.00 21.31 N ATOM 1471 CA GLU A 97 0.890 -18.510 14.422 1.00 54.23 C ATOM 1472 C GLU A 97 0.480 -17.400 13.458 1.00 4.50 C ATOM 1473 O GLU A 97 0.603 -16.216 13.770 1.00 52.34 O ATOM 1474 CB GLU A 97 0.004 -18.470 15.669 1.00 52.13 C ATOM 1475 CG GLU A 97 -1.397 -19.011 15.438 1.00 61.52 C ATOM 1476 CD GLU A 97 -2.356 -18.645 16.554 1.00 44.51 C ATOM 1477 OE1 GLU A 97 -1.897 -18.494 17.705 1.00 21.55 O ATOM 1478 OE2 GLU A 97 -3.565 -18.507 16.275 1.00 72.21 O ATOM 0 H GLU A 97 2.462 -18.335 15.798 1.00 21.31 H new ATOM 0 HA GLU A 97 0.758 -19.469 13.922 1.00 54.23 H new ATOM 0 HB2 GLU A 97 0.481 -19.046 16.462 1.00 52.13 H new ATOM 0 HB3 GLU A 97 -0.067 -17.441 16.021 1.00 52.13 H new ATOM 0 HG2 GLU A 97 -1.780 -18.625 14.494 1.00 61.52 H new ATOM 0 HG3 GLU A 97 -1.352 -20.096 15.344 1.00 61.52 H new ATOM 1485 N GLY A 98 -0.006 -17.792 12.284 1.00 12.04 N ATOM 1486 CA GLY A 98 -0.425 -16.819 11.293 1.00 75.15 C ATOM 1487 C GLY A 98 -0.997 -17.469 10.048 1.00 23.30 C ATOM 1488 O GLY A 98 -0.826 -18.666 9.813 1.00 52.33 O ATOM 0 H GLY A 98 -0.117 -18.766 12.002 1.00 12.04 H new ATOM 0 HA2 GLY A 98 -1.173 -16.158 11.731 1.00 75.15 H new ATOM 0 HA3 GLY A 98 0.426 -16.197 11.016 1.00 75.15 H new ATOM 1492 N PRO A 99 -1.694 -16.672 9.226 1.00 15.50 N ATOM 1493 CA PRO A 99 -2.308 -17.155 7.986 1.00 71.33 C ATOM 1494 C PRO A 99 -1.271 -17.506 6.924 1.00 0.03 C ATOM 1495 O PRO A 99 -0.300 -16.774 6.726 1.00 75.24 O ATOM 1496 CB PRO A 99 -3.163 -15.971 7.527 1.00 21.15 C ATOM 1497 CG PRO A 99 -2.509 -14.776 8.131 1.00 34.11 C ATOM 1498 CD PRO A 99 -1.938 -15.236 9.444 1.00 43.42 C ATOM 0 HA PRO A 99 -2.876 -18.072 8.144 1.00 71.33 H new ATOM 0 HB2 PRO A 99 -3.190 -15.900 6.440 1.00 21.15 H new ATOM 0 HB3 PRO A 99 -4.194 -16.072 7.866 1.00 21.15 H new ATOM 0 HG2 PRO A 99 -1.726 -14.388 7.479 1.00 34.11 H new ATOM 0 HG3 PRO A 99 -3.228 -13.970 8.279 1.00 34.11 H new ATOM 0 HD2 PRO A 99 -1.018 -14.705 9.690 1.00 43.42 H new ATOM 0 HD3 PRO A 99 -2.634 -15.067 10.266 1.00 43.42 H new ATOM 1506 N CYS A 100 -1.482 -18.628 6.245 1.00 14.13 N ATOM 1507 CA CYS A 100 -0.565 -19.076 5.204 1.00 42.55 C ATOM 1508 C CYS A 100 -1.298 -19.271 3.880 1.00 10.05 C ATOM 1509 O CYS A 100 -2.456 -19.689 3.856 1.00 41.51 O ATOM 1510 CB CYS A 100 0.116 -20.380 5.621 1.00 41.13 C ATOM 1511 SG CYS A 100 -0.933 -21.844 5.462 1.00 40.12 S ATOM 0 H CYS A 100 -2.281 -19.244 6.397 1.00 14.13 H new ATOM 0 HA CYS A 100 0.194 -18.306 5.068 1.00 42.55 H new ATOM 0 HB2 CYS A 100 1.011 -20.520 5.015 1.00 41.13 H new ATOM 0 HB3 CYS A 100 0.443 -20.291 6.657 1.00 41.13 H new ATOM 0 HG CYS A 100 -1.956 -21.565 4.710 1.00 40.12 H new ATOM 1517 N VAL A 101 -0.616 -18.965 2.781 1.00 13.42 N ATOM 1518 CA VAL A 101 -1.203 -19.106 1.454 1.00 43.22 C ATOM 1519 C VAL A 101 -0.125 -19.312 0.396 1.00 65.02 C ATOM 1520 O VAL A 101 1.035 -18.939 0.575 1.00 62.33 O ATOM 1521 CB VAL A 101 -2.046 -17.873 1.078 1.00 4.44 C ATOM 1522 CG1 VAL A 101 -3.398 -17.918 1.773 1.00 21.33 C ATOM 1523 CG2 VAL A 101 -1.301 -16.593 1.427 1.00 41.32 C ATOM 0 H VAL A 101 0.343 -18.618 2.783 1.00 13.42 H new ATOM 0 HA VAL A 101 -1.850 -19.983 1.486 1.00 43.22 H new ATOM 0 HB VAL A 101 -2.217 -17.886 0.002 1.00 4.44 H new ATOM 0 HG11 VAL A 101 -3.979 -17.039 1.495 1.00 21.33 H new ATOM 0 HG12 VAL A 101 -3.933 -18.818 1.470 1.00 21.33 H new ATOM 0 HG13 VAL A 101 -3.252 -17.930 2.853 1.00 21.33 H new ATOM 0 HG21 VAL A 101 -1.911 -15.731 1.155 1.00 41.32 H new ATOM 0 HG22 VAL A 101 -1.098 -16.570 2.498 1.00 41.32 H new ATOM 0 HG23 VAL A 101 -0.360 -16.559 0.879 1.00 41.32 H new ATOM 1533 N PRO A 102 -0.514 -19.920 -0.735 1.00 4.12 N ATOM 1534 CA PRO A 102 0.405 -20.189 -1.845 1.00 53.33 C ATOM 1535 C PRO A 102 0.835 -18.914 -2.563 1.00 64.10 C ATOM 1536 O PRO A 102 0.361 -18.616 -3.658 1.00 60.33 O ATOM 1537 CB PRO A 102 -0.420 -21.076 -2.781 1.00 31.43 C ATOM 1538 CG PRO A 102 -1.837 -20.728 -2.481 1.00 33.50 C ATOM 1539 CD PRO A 102 -1.880 -20.391 -1.016 1.00 50.03 C ATOM 0 HA PRO A 102 1.332 -20.650 -1.504 1.00 53.33 H new ATOM 0 HB2 PRO A 102 -0.177 -20.882 -3.826 1.00 31.43 H new ATOM 0 HB3 PRO A 102 -0.225 -22.133 -2.599 1.00 31.43 H new ATOM 0 HG2 PRO A 102 -2.168 -19.883 -3.085 1.00 33.50 H new ATOM 0 HG3 PRO A 102 -2.500 -21.562 -2.709 1.00 33.50 H new ATOM 0 HD2 PRO A 102 -2.622 -19.622 -0.802 1.00 50.03 H new ATOM 0 HD3 PRO A 102 -2.138 -21.260 -0.411 1.00 50.03 H new ATOM 1547 N GLY A 103 1.738 -18.164 -1.938 1.00 24.41 N ATOM 1548 CA GLY A 103 2.218 -16.931 -2.532 1.00 51.54 C ATOM 1549 C GLY A 103 2.816 -15.987 -1.508 1.00 24.53 C ATOM 1550 O GLY A 103 3.643 -15.139 -1.843 1.00 53.31 O ATOM 0 H GLY A 103 2.145 -18.389 -1.030 1.00 24.41 H new ATOM 0 HA2 GLY A 103 2.968 -17.164 -3.288 1.00 51.54 H new ATOM 0 HA3 GLY A 103 1.394 -16.433 -3.043 1.00 51.54 H new ATOM 1554 N ASP A 104 2.398 -16.134 -0.255 1.00 71.45 N ATOM 1555 CA ASP A 104 2.898 -15.288 0.822 1.00 74.20 C ATOM 1556 C ASP A 104 4.331 -15.663 1.187 1.00 14.02 C ATOM 1557 O ASP A 104 5.011 -14.930 1.904 1.00 51.52 O ATOM 1558 CB ASP A 104 1.997 -15.407 2.052 1.00 32.23 C ATOM 1559 CG ASP A 104 2.214 -16.705 2.806 1.00 50.25 C ATOM 1560 OD1 ASP A 104 2.649 -17.691 2.175 1.00 25.43 O ATOM 1561 OD2 ASP A 104 1.949 -16.734 4.025 1.00 3.44 O ATOM 0 H ASP A 104 1.714 -16.831 0.039 1.00 71.45 H new ATOM 0 HA ASP A 104 2.890 -14.255 0.474 1.00 74.20 H new ATOM 0 HB2 ASP A 104 2.186 -14.566 2.720 1.00 32.23 H new ATOM 0 HB3 ASP A 104 0.954 -15.340 1.743 1.00 32.23 H new ATOM 1566 N ALA A 105 4.782 -16.810 0.690 1.00 33.02 N ATOM 1567 CA ALA A 105 6.134 -17.282 0.963 1.00 14.34 C ATOM 1568 C ALA A 105 7.163 -16.192 0.682 1.00 74.14 C ATOM 1569 O ALA A 105 7.108 -15.525 -0.350 1.00 52.24 O ATOM 1570 CB ALA A 105 6.437 -18.523 0.137 1.00 14.11 C ATOM 0 H ALA A 105 4.231 -17.430 0.096 1.00 33.02 H new ATOM 0 HA ALA A 105 6.196 -17.539 2.020 1.00 14.34 H new ATOM 0 HB1 ALA A 105 7.450 -18.864 0.351 1.00 14.11 H new ATOM 0 HB2 ALA A 105 5.728 -19.311 0.390 1.00 14.11 H new ATOM 0 HB3 ALA A 105 6.351 -18.284 -0.923 1.00 14.11 H new ATOM 1576 N GLY A 106 8.101 -16.017 1.607 1.00 11.24 N ATOM 1577 CA GLY A 106 9.129 -15.006 1.440 1.00 54.03 C ATOM 1578 C GLY A 106 8.912 -13.804 2.337 1.00 34.05 C ATOM 1579 O GLY A 106 9.708 -12.867 2.335 1.00 4.32 O ATOM 0 H GLY A 106 8.168 -16.557 2.470 1.00 11.24 H new ATOM 0 HA2 GLY A 106 10.104 -15.444 1.655 1.00 54.03 H new ATOM 0 HA3 GLY A 106 9.148 -14.680 0.400 1.00 54.03 H new ATOM 1583 N GLY A 107 7.828 -13.830 3.107 1.00 34.02 N ATOM 1584 CA GLY A 107 7.526 -12.728 4.002 1.00 45.32 C ATOM 1585 C GLY A 107 8.654 -12.446 4.975 1.00 31.52 C ATOM 1586 O GLY A 107 8.977 -13.281 5.821 1.00 12.43 O ATOM 0 H GLY A 107 7.154 -14.595 3.127 1.00 34.02 H new ATOM 0 HA2 GLY A 107 7.324 -11.832 3.415 1.00 45.32 H new ATOM 0 HA3 GLY A 107 6.617 -12.955 4.560 1.00 45.32 H new ATOM 1590 N LYS A 108 9.257 -11.268 4.856 1.00 74.45 N ATOM 1591 CA LYS A 108 10.355 -10.878 5.731 1.00 22.00 C ATOM 1592 C LYS A 108 9.851 -10.592 7.142 1.00 42.41 C ATOM 1593 O LYS A 108 8.971 -9.753 7.339 1.00 1.25 O ATOM 1594 CB LYS A 108 11.066 -9.644 5.172 1.00 44.22 C ATOM 1595 CG LYS A 108 12.474 -9.926 4.675 1.00 10.44 C ATOM 1596 CD LYS A 108 12.466 -10.479 3.260 1.00 11.32 C ATOM 1597 CE LYS A 108 13.727 -11.277 2.966 1.00 11.24 C ATOM 1598 NZ LYS A 108 13.525 -12.242 1.851 1.00 41.05 N ATOM 0 H LYS A 108 9.003 -10.566 4.161 1.00 74.45 H new ATOM 0 HA LYS A 108 11.061 -11.707 5.778 1.00 22.00 H new ATOM 0 HB2 LYS A 108 10.475 -9.235 4.352 1.00 44.22 H new ATOM 0 HB3 LYS A 108 11.110 -8.878 5.946 1.00 44.22 H new ATOM 0 HG2 LYS A 108 13.062 -9.009 4.705 1.00 10.44 H new ATOM 0 HG3 LYS A 108 12.960 -10.638 5.342 1.00 10.44 H new ATOM 0 HD2 LYS A 108 11.591 -11.115 3.122 1.00 11.32 H new ATOM 0 HD3 LYS A 108 12.379 -9.658 2.548 1.00 11.32 H new ATOM 0 HE2 LYS A 108 14.538 -10.594 2.713 1.00 11.24 H new ATOM 0 HE3 LYS A 108 14.033 -11.817 3.862 1.00 11.24 H new ATOM 0 HZ1 LYS A 108 14.284 -12.953 1.866 1.00 41.05 H new ATOM 0 HZ2 LYS A 108 12.605 -12.715 1.963 1.00 41.05 H new ATOM 0 HZ3 LYS A 108 13.545 -11.734 0.944 1.00 41.05 H new ATOM 1612 N LEU A 109 10.415 -11.292 8.120 1.00 51.10 N ATOM 1613 CA LEU A 109 10.024 -11.112 9.514 1.00 54.42 C ATOM 1614 C LEU A 109 11.032 -10.238 10.254 1.00 73.32 C ATOM 1615 O LEU A 109 12.138 -10.679 10.569 1.00 70.13 O ATOM 1616 CB LEU A 109 9.900 -12.469 10.209 1.00 50.41 C ATOM 1617 CG LEU A 109 9.476 -12.434 11.678 1.00 72.14 C ATOM 1618 CD1 LEU A 109 8.072 -11.865 11.815 1.00 60.44 C ATOM 1619 CD2 LEU A 109 9.551 -13.826 12.287 1.00 20.42 C ATOM 0 H LEU A 109 11.145 -11.990 7.974 1.00 51.10 H new ATOM 0 HA LEU A 109 9.056 -10.612 9.532 1.00 54.42 H new ATOM 0 HB2 LEU A 109 9.179 -13.073 9.658 1.00 50.41 H new ATOM 0 HB3 LEU A 109 10.861 -12.979 10.141 1.00 50.41 H new ATOM 0 HG LEU A 109 10.163 -11.784 12.220 1.00 72.14 H new ATOM 0 HD11 LEU A 109 7.787 -11.848 12.867 1.00 60.44 H new ATOM 0 HD12 LEU A 109 8.050 -10.851 11.417 1.00 60.44 H new ATOM 0 HD13 LEU A 109 7.371 -12.488 11.260 1.00 60.44 H new ATOM 0 HD21 LEU A 109 9.246 -13.783 13.333 1.00 20.42 H new ATOM 0 HD22 LEU A 109 8.887 -14.497 11.743 1.00 20.42 H new ATOM 0 HD23 LEU A 109 10.574 -14.197 12.223 1.00 20.42 H new ATOM 1631 N LEU A 110 10.642 -8.999 10.530 1.00 0.24 N ATOM 1632 CA LEU A 110 11.511 -8.063 11.236 1.00 32.21 C ATOM 1633 C LEU A 110 11.190 -8.041 12.727 1.00 22.12 C ATOM 1634 O LEU A 110 10.024 -8.028 13.122 1.00 31.23 O ATOM 1635 CB LEU A 110 11.363 -6.658 10.650 1.00 13.01 C ATOM 1636 CG LEU A 110 12.125 -6.388 9.353 1.00 64.04 C ATOM 1637 CD1 LEU A 110 11.158 -6.125 8.209 1.00 14.25 C ATOM 1638 CD2 LEU A 110 13.078 -5.214 9.528 1.00 21.43 C ATOM 0 H LEU A 110 9.730 -8.619 10.276 1.00 0.24 H new ATOM 0 HA LEU A 110 12.541 -8.396 11.110 1.00 32.21 H new ATOM 0 HB2 LEU A 110 10.304 -6.470 10.472 1.00 13.01 H new ATOM 0 HB3 LEU A 110 11.693 -5.937 11.398 1.00 13.01 H new ATOM 0 HG LEU A 110 12.712 -7.274 9.109 1.00 64.04 H new ATOM 0 HD11 LEU A 110 11.720 -5.935 7.294 1.00 14.25 H new ATOM 0 HD12 LEU A 110 10.517 -6.995 8.067 1.00 14.25 H new ATOM 0 HD13 LEU A 110 10.543 -5.256 8.445 1.00 14.25 H new ATOM 0 HD21 LEU A 110 13.612 -5.036 8.594 1.00 21.43 H new ATOM 0 HD22 LEU A 110 12.512 -4.323 9.797 1.00 21.43 H new ATOM 0 HD23 LEU A 110 13.794 -5.441 10.318 1.00 21.43 H new ATOM 1650 N CYS A 111 12.233 -8.035 13.551 1.00 14.22 N ATOM 1651 CA CYS A 111 12.063 -8.012 14.999 1.00 24.30 C ATOM 1652 C CYS A 111 12.670 -6.746 15.598 1.00 75.31 C ATOM 1653 O CYS A 111 13.019 -5.812 14.877 1.00 40.15 O ATOM 1654 CB CYS A 111 12.710 -9.248 15.628 1.00 3.34 C ATOM 1655 SG CYS A 111 14.525 -9.153 15.756 1.00 21.11 S ATOM 0 H CYS A 111 13.205 -8.046 13.241 1.00 14.22 H new ATOM 0 HA CYS A 111 10.995 -8.019 15.215 1.00 24.30 H new ATOM 0 HB2 CYS A 111 12.293 -9.396 16.624 1.00 3.34 H new ATOM 0 HB3 CYS A 111 12.443 -10.125 15.038 1.00 3.34 H new ATOM 0 HG CYS A 111 14.907 -9.653 16.894 1.00 21.11 H new ATOM 1660 N ARG A 112 12.791 -6.724 16.921 1.00 11.11 N ATOM 1661 CA ARG A 112 13.354 -5.573 17.617 1.00 33.13 C ATOM 1662 C ARG A 112 14.452 -4.918 16.785 1.00 21.01 C ATOM 1663 O ARG A 112 14.495 -3.695 16.646 1.00 34.21 O ATOM 1664 CB ARG A 112 13.913 -5.996 18.977 1.00 72.10 C ATOM 1665 CG ARG A 112 12.853 -6.505 19.940 1.00 15.40 C ATOM 1666 CD ARG A 112 11.850 -5.416 20.290 1.00 31.21 C ATOM 1667 NE ARG A 112 11.251 -5.626 21.606 1.00 44.03 N ATOM 1668 CZ ARG A 112 10.112 -5.064 21.993 1.00 51.32 C ATOM 1669 NH1 ARG A 112 9.451 -4.262 21.169 1.00 31.20 N ATOM 1670 NH2 ARG A 112 9.631 -5.303 23.206 1.00 20.31 N ATOM 0 H ARG A 112 12.507 -7.489 17.532 1.00 11.11 H new ATOM 0 HA ARG A 112 12.556 -4.846 17.770 1.00 33.13 H new ATOM 0 HB2 ARG A 112 14.660 -6.776 18.827 1.00 72.10 H new ATOM 0 HB3 ARG A 112 14.425 -5.147 19.430 1.00 72.10 H new ATOM 0 HG2 ARG A 112 12.331 -7.352 19.494 1.00 15.40 H new ATOM 0 HG3 ARG A 112 13.331 -6.868 20.850 1.00 15.40 H new ATOM 0 HD2 ARG A 112 12.346 -4.446 20.268 1.00 31.21 H new ATOM 0 HD3 ARG A 112 11.065 -5.390 19.534 1.00 31.21 H new ATOM 0 HE ARG A 112 11.734 -6.238 22.264 1.00 44.03 H new ATOM 0 HH11 ARG A 112 9.817 -4.076 20.235 1.00 31.20 H new ATOM 0 HH12 ARG A 112 8.576 -3.832 21.469 1.00 31.20 H new ATOM 0 HH21 ARG A 112 10.136 -5.919 23.843 1.00 20.31 H new ATOM 0 HH22 ARG A 112 8.756 -4.871 23.502 1.00 20.31 H new ATOM 1684 N HIS A 113 15.340 -5.740 16.234 1.00 54.12 N ATOM 1685 CA HIS A 113 16.439 -5.241 15.415 1.00 13.41 C ATOM 1686 C HIS A 113 16.018 -5.126 13.953 1.00 43.30 C ATOM 1687 O HIS A 113 16.034 -4.039 13.376 1.00 74.42 O ATOM 1688 CB HIS A 113 17.653 -6.161 15.538 1.00 62.21 C ATOM 1689 CG HIS A 113 17.715 -6.901 16.839 1.00 50.03 C ATOM 1690 ND1 HIS A 113 17.504 -6.296 18.060 1.00 42.55 N ATOM 1691 CD2 HIS A 113 17.964 -8.205 17.105 1.00 40.51 C ATOM 1692 CE1 HIS A 113 17.623 -7.194 19.020 1.00 33.35 C ATOM 1693 NE2 HIS A 113 17.901 -8.361 18.468 1.00 61.13 N ATOM 0 H HIS A 113 15.320 -6.754 16.340 1.00 54.12 H new ATOM 0 HA HIS A 113 16.707 -4.248 15.776 1.00 13.41 H new ATOM 0 HB2 HIS A 113 17.637 -6.881 14.720 1.00 62.21 H new ATOM 0 HB3 HIS A 113 18.561 -5.568 15.423 1.00 62.21 H new ATOM 0 HD2 HIS A 113 18.173 -8.978 16.381 1.00 40.51 H new ATOM 0 HE1 HIS A 113 17.512 -7.006 20.078 1.00 33.35 H new ATOM 0 HE2 HIS A 113 18.045 -9.236 18.972 1.00 61.13 H new ATOM 1701 N GLY A 114 15.644 -6.255 13.359 1.00 13.02 N ATOM 1702 CA GLY A 114 15.226 -6.259 11.970 1.00 74.15 C ATOM 1703 C GLY A 114 14.913 -7.653 11.462 1.00 3.11 C ATOM 1704 O GLY A 114 14.577 -8.544 12.242 1.00 74.44 O ATOM 0 H GLY A 114 15.623 -7.167 13.815 1.00 13.02 H new ATOM 0 HA2 GLY A 114 14.344 -5.628 11.857 1.00 74.15 H new ATOM 0 HA3 GLY A 114 16.012 -5.820 11.356 1.00 74.15 H new ATOM 1708 N VAL A 115 15.023 -7.842 10.151 1.00 63.20 N ATOM 1709 CA VAL A 115 14.750 -9.137 9.540 1.00 74.41 C ATOM 1710 C VAL A 115 15.508 -10.252 10.251 1.00 5.03 C ATOM 1711 O VAL A 115 16.707 -10.135 10.507 1.00 64.21 O ATOM 1712 CB VAL A 115 15.129 -9.145 8.047 1.00 14.01 C ATOM 1713 CG1 VAL A 115 14.906 -10.525 7.446 1.00 0.45 C ATOM 1714 CG2 VAL A 115 14.334 -8.091 7.291 1.00 44.32 C ATOM 0 H VAL A 115 15.299 -7.114 9.492 1.00 63.20 H new ATOM 0 HA VAL A 115 13.678 -9.312 9.636 1.00 74.41 H new ATOM 0 HB VAL A 115 16.188 -8.903 7.957 1.00 14.01 H new ATOM 0 HG11 VAL A 115 15.179 -10.511 6.391 1.00 0.45 H new ATOM 0 HG12 VAL A 115 15.523 -11.254 7.971 1.00 0.45 H new ATOM 0 HG13 VAL A 115 13.856 -10.800 7.545 1.00 0.45 H new ATOM 0 HG21 VAL A 115 14.614 -8.110 6.238 1.00 44.32 H new ATOM 0 HG22 VAL A 115 13.269 -8.300 7.387 1.00 44.32 H new ATOM 0 HG23 VAL A 115 14.549 -7.106 7.706 1.00 44.32 H new ATOM 1724 N ILE A 116 14.802 -11.332 10.568 1.00 25.11 N ATOM 1725 CA ILE A 116 15.410 -12.469 11.249 1.00 42.23 C ATOM 1726 C ILE A 116 15.078 -13.777 10.538 1.00 1.43 C ATOM 1727 O ILE A 116 15.601 -14.834 10.886 1.00 21.42 O ATOM 1728 CB ILE A 116 14.946 -12.561 12.714 1.00 32.42 C ATOM 1729 CG1 ILE A 116 13.420 -12.473 12.795 1.00 24.32 C ATOM 1730 CG2 ILE A 116 15.590 -11.461 13.545 1.00 62.55 C ATOM 1731 CD1 ILE A 116 12.874 -12.716 14.185 1.00 61.53 C ATOM 0 H ILE A 116 13.809 -11.444 10.364 1.00 25.11 H new ATOM 0 HA ILE A 116 16.488 -12.311 11.228 1.00 42.23 H new ATOM 0 HB ILE A 116 15.258 -13.524 13.118 1.00 32.42 H new ATOM 0 HG12 ILE A 116 13.102 -11.487 12.456 1.00 24.32 H new ATOM 0 HG13 ILE A 116 12.985 -13.201 12.110 1.00 24.32 H new ATOM 0 HG21 ILE A 116 15.252 -11.540 14.578 1.00 62.55 H new ATOM 0 HG22 ILE A 116 16.674 -11.566 13.509 1.00 62.55 H new ATOM 0 HG23 ILE A 116 15.306 -10.488 13.144 1.00 62.55 H new ATOM 0 HD11 ILE A 116 11.787 -12.638 14.168 1.00 61.53 H new ATOM 0 HD12 ILE A 116 13.161 -13.713 14.520 1.00 61.53 H new ATOM 0 HD13 ILE A 116 13.280 -11.972 14.871 1.00 61.53 H new ATOM 1743 N GLY A 117 14.205 -13.696 9.538 1.00 3.24 N ATOM 1744 CA GLY A 117 13.819 -14.880 8.793 1.00 4.30 C ATOM 1745 C GLY A 117 12.591 -14.650 7.935 1.00 1.11 C ATOM 1746 O GLY A 117 11.840 -13.700 8.157 1.00 40.40 O ATOM 0 H GLY A 117 13.759 -12.832 9.231 1.00 3.24 H new ATOM 0 HA2 GLY A 117 14.648 -15.193 8.159 1.00 4.30 H new ATOM 0 HA3 GLY A 117 13.625 -15.696 9.489 1.00 4.30 H new ATOM 1750 N ILE A 118 12.387 -15.520 6.952 1.00 34.22 N ATOM 1751 CA ILE A 118 11.241 -15.407 6.058 1.00 1.21 C ATOM 1752 C ILE A 118 10.443 -16.705 6.020 1.00 73.40 C ATOM 1753 O ILE A 118 10.944 -17.765 6.396 1.00 22.30 O ATOM 1754 CB ILE A 118 11.678 -15.044 4.627 1.00 42.15 C ATOM 1755 CG1 ILE A 118 12.688 -16.067 4.103 1.00 30.43 C ATOM 1756 CG2 ILE A 118 12.270 -13.643 4.593 1.00 51.34 C ATOM 1757 CD1 ILE A 118 12.157 -16.914 2.968 1.00 41.03 C ATOM 0 H ILE A 118 13.000 -16.311 6.754 1.00 34.22 H new ATOM 0 HA ILE A 118 10.612 -14.608 6.451 1.00 1.21 H new ATOM 0 HB ILE A 118 10.801 -15.063 3.980 1.00 42.15 H new ATOM 0 HG12 ILE A 118 13.583 -15.543 3.767 1.00 30.43 H new ATOM 0 HG13 ILE A 118 12.990 -16.720 4.922 1.00 30.43 H new ATOM 0 HG21 ILE A 118 12.574 -13.401 3.575 1.00 51.34 H new ATOM 0 HG22 ILE A 118 11.523 -12.924 4.929 1.00 51.34 H new ATOM 0 HG23 ILE A 118 13.138 -13.599 5.251 1.00 51.34 H new ATOM 0 HD11 ILE A 118 12.926 -17.616 2.647 1.00 41.03 H new ATOM 0 HD12 ILE A 118 11.280 -17.466 3.305 1.00 41.03 H new ATOM 0 HD13 ILE A 118 11.882 -16.271 2.132 1.00 41.03 H new ATOM 1769 N ILE A 119 9.199 -16.615 5.562 1.00 34.30 N ATOM 1770 CA ILE A 119 8.332 -17.784 5.472 1.00 51.31 C ATOM 1771 C ILE A 119 8.972 -18.879 4.626 1.00 20.20 C ATOM 1772 O ILE A 119 9.137 -18.728 3.415 1.00 62.00 O ATOM 1773 CB ILE A 119 6.960 -17.422 4.871 1.00 25.43 C ATOM 1774 CG1 ILE A 119 6.469 -16.087 5.433 1.00 44.50 C ATOM 1775 CG2 ILE A 119 5.951 -18.525 5.154 1.00 23.21 C ATOM 1776 CD1 ILE A 119 5.005 -15.820 5.164 1.00 40.44 C ATOM 0 H ILE A 119 8.769 -15.745 5.248 1.00 34.30 H new ATOM 0 HA ILE A 119 8.189 -18.150 6.489 1.00 51.31 H new ATOM 0 HB ILE A 119 7.067 -17.322 3.791 1.00 25.43 H new ATOM 0 HG12 ILE A 119 6.641 -16.070 6.509 1.00 44.50 H new ATOM 0 HG13 ILE A 119 7.062 -15.280 5.002 1.00 44.50 H new ATOM 0 HG21 ILE A 119 4.987 -18.255 4.723 1.00 23.21 H new ATOM 0 HG22 ILE A 119 6.298 -19.458 4.710 1.00 23.21 H new ATOM 0 HG23 ILE A 119 5.844 -18.653 6.231 1.00 23.21 H new ATOM 0 HD11 ILE A 119 4.726 -14.856 5.591 1.00 40.44 H new ATOM 0 HD12 ILE A 119 4.830 -15.805 4.088 1.00 40.44 H new ATOM 0 HD13 ILE A 119 4.402 -16.606 5.619 1.00 40.44 H new ATOM 1788 N THR A 120 9.330 -19.985 5.272 1.00 50.14 N ATOM 1789 CA THR A 120 9.951 -21.107 4.579 1.00 4.24 C ATOM 1790 C THR A 120 9.076 -22.352 4.654 1.00 34.34 C ATOM 1791 O THR A 120 9.246 -23.290 3.876 1.00 53.13 O ATOM 1792 CB THR A 120 11.338 -21.432 5.167 1.00 15.44 C ATOM 1793 OG1 THR A 120 11.970 -22.457 4.393 1.00 2.41 O ATOM 1794 CG2 THR A 120 11.219 -21.883 6.615 1.00 31.13 C ATOM 0 H THR A 120 9.200 -20.127 6.274 1.00 50.14 H new ATOM 0 HA THR A 120 10.066 -20.810 3.537 1.00 4.24 H new ATOM 0 HB THR A 120 11.944 -20.527 5.134 1.00 15.44 H new ATOM 0 HG1 THR A 120 11.294 -22.935 3.869 1.00 2.41 H new ATOM 0 HG21 THR A 120 12.210 -22.107 7.009 1.00 31.13 H new ATOM 0 HG22 THR A 120 10.764 -21.089 7.207 1.00 31.13 H new ATOM 0 HG23 THR A 120 10.597 -22.777 6.668 1.00 31.13 H new ATOM 1802 N ALA A 121 8.138 -22.355 5.596 1.00 12.21 N ATOM 1803 CA ALA A 121 7.233 -23.484 5.770 1.00 23.54 C ATOM 1804 C ALA A 121 5.843 -23.015 6.184 1.00 34.51 C ATOM 1805 O ALA A 121 5.669 -21.889 6.647 1.00 52.12 O ATOM 1806 CB ALA A 121 7.793 -24.455 6.800 1.00 2.20 C ATOM 0 H ALA A 121 7.985 -21.588 6.250 1.00 12.21 H new ATOM 0 HA ALA A 121 7.144 -23.997 4.813 1.00 23.54 H new ATOM 0 HB1 ALA A 121 7.107 -25.294 6.920 1.00 2.20 H new ATOM 0 HB2 ALA A 121 8.762 -24.824 6.463 1.00 2.20 H new ATOM 0 HB3 ALA A 121 7.912 -23.944 7.755 1.00 2.20 H new ATOM 1812 N GLY A 122 4.854 -23.888 6.013 1.00 14.34 N ATOM 1813 CA GLY A 122 3.491 -23.543 6.373 1.00 35.54 C ATOM 1814 C GLY A 122 2.641 -24.765 6.662 1.00 71.20 C ATOM 1815 O GLY A 122 2.577 -25.690 5.854 1.00 73.44 O ATOM 0 H GLY A 122 4.973 -24.827 5.632 1.00 14.34 H new ATOM 0 HA2 GLY A 122 3.503 -22.896 7.250 1.00 35.54 H new ATOM 0 HA3 GLY A 122 3.038 -22.972 5.563 1.00 35.54 H new ATOM 1819 N GLY A 123 1.987 -24.770 7.820 1.00 44.20 N ATOM 1820 CA GLY A 123 1.148 -25.893 8.194 1.00 71.15 C ATOM 1821 C GLY A 123 -0.251 -25.465 8.591 1.00 3.41 C ATOM 1822 O GLY A 123 -0.832 -26.013 9.528 1.00 55.44 O ATOM 0 H GLY A 123 2.024 -24.016 8.506 1.00 44.20 H new ATOM 0 HA2 GLY A 123 1.088 -26.591 7.359 1.00 71.15 H new ATOM 0 HA3 GLY A 123 1.610 -26.427 9.024 1.00 71.15 H new ATOM 1826 N ASP A 124 -0.791 -24.482 7.880 1.00 52.35 N ATOM 1827 CA ASP A 124 -2.130 -23.979 8.164 1.00 74.14 C ATOM 1828 C ASP A 124 -2.221 -23.451 9.592 1.00 32.50 C ATOM 1829 O ASP A 124 -2.321 -24.224 10.545 1.00 41.53 O ATOM 1830 CB ASP A 124 -3.168 -25.081 7.947 1.00 75.31 C ATOM 1831 CG ASP A 124 -3.636 -25.161 6.507 1.00 31.30 C ATOM 1832 OD1 ASP A 124 -2.830 -24.855 5.603 1.00 31.32 O ATOM 1833 OD2 ASP A 124 -4.808 -25.531 6.284 1.00 43.42 O ATOM 0 H ASP A 124 -0.322 -24.017 7.102 1.00 52.35 H new ATOM 0 HA ASP A 124 -2.336 -23.157 7.479 1.00 74.14 H new ATOM 0 HB2 ASP A 124 -2.742 -26.040 8.241 1.00 75.31 H new ATOM 0 HB3 ASP A 124 -4.026 -24.901 8.595 1.00 75.31 H new ATOM 1838 N GLY A 125 -2.185 -22.130 9.733 1.00 42.21 N ATOM 1839 CA GLY A 125 -2.263 -21.522 11.048 1.00 3.53 C ATOM 1840 C GLY A 125 -0.900 -21.347 11.688 1.00 44.01 C ATOM 1841 O GLY A 125 -0.731 -20.530 12.594 1.00 42.13 O ATOM 0 H GLY A 125 -2.103 -21.470 8.960 1.00 42.21 H new ATOM 0 HA2 GLY A 125 -2.750 -20.550 10.967 1.00 3.53 H new ATOM 0 HA3 GLY A 125 -2.888 -22.139 11.694 1.00 3.53 H new ATOM 1845 N HIS A 126 0.076 -22.118 11.218 1.00 42.42 N ATOM 1846 CA HIS A 126 1.432 -22.045 11.751 1.00 71.00 C ATOM 1847 C HIS A 126 2.461 -22.065 10.624 1.00 35.34 C ATOM 1848 O HIS A 126 2.665 -23.091 9.975 1.00 70.01 O ATOM 1849 CB HIS A 126 1.688 -23.207 12.712 1.00 55.43 C ATOM 1850 CG HIS A 126 1.372 -22.883 14.140 1.00 62.22 C ATOM 1851 ND1 HIS A 126 0.296 -23.421 14.813 1.00 15.51 N ATOM 1852 CD2 HIS A 126 2.001 -22.073 15.024 1.00 73.24 C ATOM 1853 CE1 HIS A 126 0.274 -22.954 16.049 1.00 42.33 C ATOM 1854 NE2 HIS A 126 1.299 -22.134 16.202 1.00 33.33 N ATOM 0 H HIS A 126 -0.047 -22.800 10.470 1.00 42.42 H new ATOM 0 HA HIS A 126 1.532 -21.105 12.294 1.00 71.00 H new ATOM 0 HB2 HIS A 126 1.090 -24.063 12.401 1.00 55.43 H new ATOM 0 HB3 HIS A 126 2.734 -23.505 12.638 1.00 55.43 H new ATOM 0 HD2 HIS A 126 2.889 -21.488 14.837 1.00 73.24 H new ATOM 0 HE1 HIS A 126 -0.457 -23.200 16.805 1.00 42.33 H new ATOM 0 HE2 HIS A 126 1.531 -21.628 17.057 1.00 33.33 H new ATOM 1862 N VAL A 127 3.105 -20.925 10.397 1.00 22.23 N ATOM 1863 CA VAL A 127 4.113 -20.812 9.350 1.00 73.14 C ATOM 1864 C VAL A 127 5.517 -20.768 9.940 1.00 4.45 C ATOM 1865 O VAL A 127 5.761 -20.089 10.937 1.00 1.54 O ATOM 1866 CB VAL A 127 3.889 -19.554 8.489 1.00 23.14 C ATOM 1867 CG1 VAL A 127 2.453 -19.495 7.993 1.00 51.13 C ATOM 1868 CG2 VAL A 127 4.242 -18.301 9.277 1.00 71.31 C ATOM 0 H VAL A 127 2.947 -20.066 10.924 1.00 22.23 H new ATOM 0 HA VAL A 127 4.015 -21.696 8.720 1.00 73.14 H new ATOM 0 HB VAL A 127 4.545 -19.607 7.620 1.00 23.14 H new ATOM 0 HG11 VAL A 127 2.314 -18.600 7.387 1.00 51.13 H new ATOM 0 HG12 VAL A 127 2.240 -20.378 7.391 1.00 51.13 H new ATOM 0 HG13 VAL A 127 1.775 -19.465 8.846 1.00 51.13 H new ATOM 0 HG21 VAL A 127 4.078 -17.421 8.654 1.00 71.31 H new ATOM 0 HG22 VAL A 127 3.612 -18.240 10.164 1.00 71.31 H new ATOM 0 HG23 VAL A 127 5.289 -18.343 9.577 1.00 71.31 H new ATOM 1878 N ALA A 128 6.439 -21.496 9.318 1.00 14.30 N ATOM 1879 CA ALA A 128 7.820 -21.537 9.781 1.00 62.54 C ATOM 1880 C ALA A 128 8.658 -20.456 9.107 1.00 53.14 C ATOM 1881 O ALA A 128 8.551 -20.236 7.900 1.00 52.30 O ATOM 1882 CB ALA A 128 8.422 -22.911 9.523 1.00 51.03 C ATOM 0 H ALA A 128 6.254 -22.065 8.492 1.00 14.30 H new ATOM 0 HA ALA A 128 7.823 -21.346 10.854 1.00 62.54 H new ATOM 0 HB1 ALA A 128 9.454 -22.928 9.874 1.00 51.03 H new ATOM 0 HB2 ALA A 128 7.845 -23.667 10.056 1.00 51.03 H new ATOM 0 HB3 ALA A 128 8.398 -23.124 8.454 1.00 51.03 H new ATOM 1888 N PHE A 129 9.491 -19.783 9.893 1.00 13.14 N ATOM 1889 CA PHE A 129 10.346 -18.723 9.373 1.00 54.54 C ATOM 1890 C PHE A 129 11.814 -19.136 9.418 1.00 53.10 C ATOM 1891 O PHE A 129 12.396 -19.285 10.493 1.00 45.24 O ATOM 1892 CB PHE A 129 10.142 -17.435 10.173 1.00 13.41 C ATOM 1893 CG PHE A 129 8.933 -16.651 9.749 1.00 13.55 C ATOM 1894 CD1 PHE A 129 7.693 -16.903 10.315 1.00 24.42 C ATOM 1895 CD2 PHE A 129 9.035 -15.661 8.785 1.00 4.00 C ATOM 1896 CE1 PHE A 129 6.579 -16.183 9.928 1.00 72.51 C ATOM 1897 CE2 PHE A 129 7.925 -14.938 8.394 1.00 15.41 C ATOM 1898 CZ PHE A 129 6.695 -15.200 8.965 1.00 15.03 C ATOM 0 H PHE A 129 9.592 -19.953 10.894 1.00 13.14 H new ATOM 0 HA PHE A 129 10.069 -18.545 8.334 1.00 54.54 H new ATOM 0 HB2 PHE A 129 10.051 -17.684 11.230 1.00 13.41 H new ATOM 0 HB3 PHE A 129 11.027 -16.808 10.068 1.00 13.41 H new ATOM 0 HD1 PHE A 129 7.596 -17.671 11.068 1.00 24.42 H new ATOM 0 HD2 PHE A 129 9.994 -15.452 8.334 1.00 4.00 H new ATOM 0 HE1 PHE A 129 5.619 -16.389 10.378 1.00 72.51 H new ATOM 0 HE2 PHE A 129 8.019 -14.168 7.642 1.00 15.41 H new ATOM 0 HZ PHE A 129 5.826 -14.637 8.659 1.00 15.03 H new ATOM 1908 N THR A 130 12.407 -19.321 8.243 1.00 40.34 N ATOM 1909 CA THR A 130 13.806 -19.718 8.147 1.00 72.53 C ATOM 1910 C THR A 130 14.725 -18.632 8.692 1.00 1.23 C ATOM 1911 O THR A 130 14.786 -17.528 8.151 1.00 3.31 O ATOM 1912 CB THR A 130 14.203 -20.028 6.691 1.00 22.00 C ATOM 1913 OG1 THR A 130 15.575 -20.436 6.634 1.00 53.32 O ATOM 1914 CG2 THR A 130 13.993 -18.811 5.802 1.00 20.53 C ATOM 0 H THR A 130 11.940 -19.202 7.344 1.00 40.34 H new ATOM 0 HA THR A 130 13.920 -20.621 8.747 1.00 72.53 H new ATOM 0 HB THR A 130 13.568 -20.837 6.329 1.00 22.00 H new ATOM 0 HG1 THR A 130 15.819 -20.633 5.706 1.00 53.32 H new ATOM 0 HG21 THR A 130 14.280 -19.054 4.779 1.00 20.53 H new ATOM 0 HG22 THR A 130 12.943 -18.521 5.825 1.00 20.53 H new ATOM 0 HG23 THR A 130 14.606 -17.986 6.164 1.00 20.53 H new ATOM 1922 N ASP A 131 15.439 -18.952 9.766 1.00 11.41 N ATOM 1923 CA ASP A 131 16.357 -18.002 10.384 1.00 23.32 C ATOM 1924 C ASP A 131 17.560 -17.743 9.482 1.00 72.50 C ATOM 1925 O ASP A 131 18.480 -18.558 9.407 1.00 24.54 O ATOM 1926 CB ASP A 131 16.827 -18.525 11.743 1.00 55.11 C ATOM 1927 CG ASP A 131 16.683 -17.490 12.842 1.00 63.51 C ATOM 1928 OD1 ASP A 131 15.719 -16.699 12.790 1.00 52.42 O ATOM 1929 OD2 ASP A 131 17.535 -17.473 13.755 1.00 61.44 O ATOM 0 H ASP A 131 15.400 -19.861 10.226 1.00 11.41 H new ATOM 0 HA ASP A 131 15.825 -17.062 10.529 1.00 23.32 H new ATOM 0 HB2 ASP A 131 16.252 -19.413 12.006 1.00 55.11 H new ATOM 0 HB3 ASP A 131 17.871 -18.831 11.670 1.00 55.11 H new ATOM 1934 N LEU A 132 17.545 -16.605 8.797 1.00 21.14 N ATOM 1935 CA LEU A 132 18.634 -16.239 7.899 1.00 41.34 C ATOM 1936 C LEU A 132 19.747 -15.521 8.656 1.00 71.04 C ATOM 1937 O LEU A 132 20.702 -15.028 8.055 1.00 31.11 O ATOM 1938 CB LEU A 132 18.112 -15.347 6.770 1.00 23.32 C ATOM 1939 CG LEU A 132 18.053 -13.849 7.071 1.00 35.32 C ATOM 1940 CD1 LEU A 132 17.606 -13.075 5.841 1.00 72.01 C ATOM 1941 CD2 LEU A 132 17.120 -13.578 8.243 1.00 52.55 C ATOM 0 H LEU A 132 16.791 -15.920 8.846 1.00 21.14 H new ATOM 0 HA LEU A 132 19.043 -17.155 7.472 1.00 41.34 H new ATOM 0 HB2 LEU A 132 18.743 -15.497 5.894 1.00 23.32 H new ATOM 0 HB3 LEU A 132 17.110 -15.683 6.502 1.00 23.32 H new ATOM 0 HG LEU A 132 19.053 -13.512 7.343 1.00 35.32 H new ATOM 0 HD11 LEU A 132 17.570 -12.011 6.074 1.00 72.01 H new ATOM 0 HD12 LEU A 132 18.312 -13.245 5.028 1.00 72.01 H new ATOM 0 HD13 LEU A 132 16.615 -13.414 5.538 1.00 72.01 H new ATOM 0 HD21 LEU A 132 17.090 -12.507 8.444 1.00 52.55 H new ATOM 0 HD22 LEU A 132 16.118 -13.930 7.999 1.00 52.55 H new ATOM 0 HD23 LEU A 132 17.484 -14.103 9.126 1.00 52.55 H new ATOM 1953 N ARG A 133 19.618 -15.468 9.977 1.00 33.23 N ATOM 1954 CA ARG A 133 20.613 -14.812 10.817 1.00 51.14 C ATOM 1955 C ARG A 133 21.998 -15.408 10.585 1.00 61.42 C ATOM 1956 O ARG A 133 22.945 -14.715 10.214 1.00 5.11 O ATOM 1957 CB ARG A 133 20.231 -14.940 12.292 1.00 21.24 C ATOM 1958 CG ARG A 133 21.428 -15.020 13.226 1.00 14.54 C ATOM 1959 CD ARG A 133 21.018 -14.807 14.675 1.00 2.04 C ATOM 1960 NE ARG A 133 22.134 -15.014 15.595 1.00 14.42 N ATOM 1961 CZ ARG A 133 22.533 -16.211 16.009 1.00 72.10 C ATOM 1962 NH1 ARG A 133 21.911 -17.303 15.587 1.00 61.34 N ATOM 1963 NH2 ARG A 133 23.556 -16.318 16.847 1.00 43.23 N ATOM 0 H ARG A 133 18.834 -15.872 10.489 1.00 33.23 H new ATOM 0 HA ARG A 133 20.641 -13.756 10.547 1.00 51.14 H new ATOM 0 HB2 ARG A 133 19.616 -14.085 12.575 1.00 21.24 H new ATOM 0 HB3 ARG A 133 19.618 -15.831 12.424 1.00 21.24 H new ATOM 0 HG2 ARG A 133 21.908 -15.993 13.122 1.00 14.54 H new ATOM 0 HG3 ARG A 133 22.165 -14.269 12.941 1.00 14.54 H new ATOM 0 HD2 ARG A 133 20.630 -13.796 14.797 1.00 2.04 H new ATOM 0 HD3 ARG A 133 20.208 -15.492 14.927 1.00 2.04 H new ATOM 0 HE ARG A 133 22.634 -14.194 15.938 1.00 14.42 H new ATOM 0 HH11 ARG A 133 21.124 -17.225 14.943 1.00 61.34 H new ATOM 0 HH12 ARG A 133 22.219 -18.221 15.906 1.00 61.34 H new ATOM 0 HH21 ARG A 133 24.037 -15.480 17.174 1.00 43.23 H new ATOM 0 HH22 ARG A 133 23.861 -17.238 17.164 1.00 43.23 H new ATOM 1977 N PRO A 134 22.121 -16.725 10.808 1.00 33.24 N ATOM 1978 CA PRO A 134 23.386 -17.444 10.630 1.00 32.04 C ATOM 1979 C PRO A 134 23.787 -17.556 9.164 1.00 62.44 C ATOM 1980 O PRO A 134 23.889 -18.657 8.620 1.00 14.43 O ATOM 1981 CB PRO A 134 23.092 -18.829 11.212 1.00 74.11 C ATOM 1982 CG PRO A 134 21.616 -18.989 11.081 1.00 63.52 C ATOM 1983 CD PRO A 134 21.033 -17.614 11.252 1.00 45.12 C ATOM 0 HA PRO A 134 24.218 -16.932 11.114 1.00 32.04 H new ATOM 0 HB2 PRO A 134 23.625 -19.609 10.667 1.00 74.11 H new ATOM 0 HB3 PRO A 134 23.407 -18.896 12.253 1.00 74.11 H new ATOM 0 HG2 PRO A 134 21.354 -19.406 10.109 1.00 63.52 H new ATOM 0 HG3 PRO A 134 21.229 -19.673 11.836 1.00 63.52 H new ATOM 0 HD2 PRO A 134 20.134 -17.481 10.650 1.00 45.12 H new ATOM 0 HD3 PRO A 134 20.754 -17.422 12.288 1.00 45.12 H new ATOM 1991 N TYR A 135 24.015 -16.412 8.528 1.00 31.33 N ATOM 1992 CA TYR A 135 24.404 -16.383 7.123 1.00 14.43 C ATOM 1993 C TYR A 135 24.804 -14.973 6.698 1.00 12.04 C ATOM 1994 O TYR A 135 24.638 -14.591 5.541 1.00 61.12 O ATOM 1995 CB TYR A 135 23.257 -16.886 6.245 1.00 43.15 C ATOM 1996 CG TYR A 135 23.660 -17.996 5.301 1.00 64.33 C ATOM 1997 CD1 TYR A 135 24.841 -17.920 4.572 1.00 72.44 C ATOM 1998 CD2 TYR A 135 22.861 -19.121 5.137 1.00 12.43 C ATOM 1999 CE1 TYR A 135 25.213 -18.932 3.708 1.00 70.15 C ATOM 2000 CE2 TYR A 135 23.226 -20.138 4.277 1.00 53.33 C ATOM 2001 CZ TYR A 135 24.402 -20.039 3.564 1.00 44.21 C ATOM 2002 OH TYR A 135 24.769 -21.049 2.705 1.00 72.24 O ATOM 0 H TYR A 135 23.937 -15.493 8.963 1.00 31.33 H new ATOM 0 HA TYR A 135 25.265 -17.039 6.996 1.00 14.43 H new ATOM 0 HB2 TYR A 135 22.449 -17.240 6.885 1.00 43.15 H new ATOM 0 HB3 TYR A 135 22.862 -16.052 5.665 1.00 43.15 H new ATOM 0 HD1 TYR A 135 25.479 -17.055 4.683 1.00 72.44 H new ATOM 0 HD2 TYR A 135 21.938 -19.201 5.692 1.00 12.43 H new ATOM 0 HE1 TYR A 135 26.134 -18.857 3.148 1.00 70.15 H new ATOM 0 HE2 TYR A 135 22.594 -21.006 4.164 1.00 53.33 H new ATOM 0 HH TYR A 135 24.090 -21.755 2.721 1.00 72.24 H new ATOM 2012 N ASN A 136 25.333 -14.204 7.645 1.00 34.42 N ATOM 2013 CA ASN A 136 25.757 -12.837 7.371 1.00 43.55 C ATOM 2014 C ASN A 136 27.002 -12.481 8.178 1.00 63.15 C ATOM 2015 O ASN A 136 27.627 -13.349 8.788 1.00 64.03 O ATOM 2016 CB ASN A 136 24.629 -11.855 7.694 1.00 32.30 C ATOM 2017 CG ASN A 136 24.563 -10.704 6.709 1.00 61.43 C ATOM 2018 OD1 ASN A 136 24.515 -9.539 7.101 1.00 0.43 O ATOM 2019 ND2 ASN A 136 24.561 -11.028 5.421 1.00 54.12 N ATOM 0 H ASN A 136 25.478 -14.505 8.609 1.00 34.42 H new ATOM 0 HA ASN A 136 25.999 -12.765 6.311 1.00 43.55 H new ATOM 0 HB2 ASN A 136 23.677 -12.386 7.692 1.00 32.30 H new ATOM 0 HB3 ASN A 136 24.772 -11.461 8.700 1.00 32.30 H new ATOM 0 HD21 ASN A 136 24.518 -10.297 4.711 1.00 54.12 H new ATOM 0 HD22 ASN A 136 24.602 -12.008 5.142 1.00 54.12 H new ATOM 2026 N ILE A 137 27.356 -11.200 8.176 1.00 33.32 N ATOM 2027 CA ILE A 137 28.524 -10.730 8.909 1.00 25.14 C ATOM 2028 C ILE A 137 28.214 -10.568 10.394 1.00 71.25 C ATOM 2029 O ILE A 137 28.274 -9.464 10.935 1.00 21.22 O ATOM 2030 CB ILE A 137 29.035 -9.387 8.354 1.00 70.52 C ATOM 2031 CG1 ILE A 137 29.157 -9.455 6.830 1.00 2.51 C ATOM 2032 CG2 ILE A 137 30.373 -9.028 8.983 1.00 70.44 C ATOM 2033 CD1 ILE A 137 30.098 -10.536 6.346 1.00 1.44 C ATOM 0 H ILE A 137 26.850 -10.470 7.675 1.00 33.32 H new ATOM 0 HA ILE A 137 29.300 -11.485 8.782 1.00 25.14 H new ATOM 0 HB ILE A 137 28.316 -8.608 8.608 1.00 70.52 H new ATOM 0 HG12 ILE A 137 28.169 -9.626 6.402 1.00 2.51 H new ATOM 0 HG13 ILE A 137 29.503 -8.491 6.458 1.00 2.51 H new ATOM 0 HG21 ILE A 137 30.721 -8.077 8.580 1.00 70.44 H new ATOM 0 HG22 ILE A 137 30.256 -8.944 10.063 1.00 70.44 H new ATOM 0 HG23 ILE A 137 31.102 -9.806 8.756 1.00 70.44 H new ATOM 0 HD11 ILE A 137 30.135 -10.525 5.257 1.00 1.44 H new ATOM 0 HD12 ILE A 137 31.096 -10.355 6.745 1.00 1.44 H new ATOM 0 HD13 ILE A 137 29.742 -11.508 6.688 1.00 1.44 H new ATOM 2045 N LYS A 138 27.883 -11.676 11.047 1.00 31.54 N ATOM 2046 CA LYS A 138 27.566 -11.660 12.470 1.00 34.04 C ATOM 2047 C LYS A 138 28.668 -10.967 13.266 1.00 72.54 C ATOM 2048 O LYS A 138 28.397 -10.271 14.243 1.00 54.51 O ATOM 2049 CB LYS A 138 27.369 -13.087 12.987 1.00 65.22 C ATOM 2050 CG LYS A 138 28.516 -14.022 12.642 1.00 2.32 C ATOM 2051 CD LYS A 138 29.231 -14.511 13.891 1.00 43.25 C ATOM 2052 CE LYS A 138 29.771 -15.921 13.707 1.00 2.13 C ATOM 2053 NZ LYS A 138 29.675 -16.719 14.961 1.00 43.21 N ATOM 0 H LYS A 138 27.827 -12.597 10.613 1.00 31.54 H new ATOM 0 HA LYS A 138 26.640 -11.101 12.603 1.00 34.04 H new ATOM 0 HB2 LYS A 138 27.247 -13.059 14.070 1.00 65.22 H new ATOM 0 HB3 LYS A 138 26.445 -13.490 12.573 1.00 65.22 H new ATOM 0 HG2 LYS A 138 28.135 -14.876 12.082 1.00 2.32 H new ATOM 0 HG3 LYS A 138 29.225 -13.506 11.994 1.00 2.32 H new ATOM 0 HD2 LYS A 138 30.051 -13.834 14.131 1.00 43.25 H new ATOM 0 HD3 LYS A 138 28.544 -14.491 14.737 1.00 43.25 H new ATOM 0 HE2 LYS A 138 29.216 -16.422 12.914 1.00 2.13 H new ATOM 0 HE3 LYS A 138 30.812 -15.873 13.386 1.00 2.13 H new ATOM 0 HZ1 LYS A 138 30.053 -17.674 14.795 1.00 43.21 H new ATOM 0 HZ2 LYS A 138 30.226 -16.254 15.711 1.00 43.21 H new ATOM 0 HZ3 LYS A 138 28.679 -16.787 15.254 1.00 43.21 H new