USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 715 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 107 LYS NZ :NH3+ -161:sc= -0.0246 (180deg=-0.228) USER MOD Set 1.2: A 126 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 88 THR OG1 : rot 97:sc= 1.21 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0.996 K(o=2.2,f=-1.3) USER MOD Set 3.1: A 79 HIS : no HD1:sc= -5.06! C(o=-4.3!,f=-12!) USER MOD Set 3.2: A 87 THR OG1 : rot -15:sc= 0.793 USER MOD Set 4.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 57 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Set 4.3: A 99 LYS NZ :NH3+ -121:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -20:sc= 0.474 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 140:sc= -1 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -107:sc= -0.825 (180deg=-2.69!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -4.46! C(o=-4.5!,f=-7.3!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.265 USER MOD Single : A 83 SER OG : rot 17:sc= 0.0109 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -130:sc= 1.14 USER MOD Single : A 94 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.17) USER MOD Single : A 97 ASN : amide:sc= -1.81! C(o=-1.8!,f=-6.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 98:sc= 1.3 USER MOD Single : A 119 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00128) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 132 TYR OH : rot -88:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.402 13.404 -1.320 1.00 0.00 N ATOM 103 CA THR A 47 4.360 12.503 -2.465 1.00 0.00 C ATOM 104 C THR A 47 5.294 11.315 -2.265 1.00 0.00 C ATOM 105 O THR A 47 6.095 10.989 -3.142 1.00 0.00 O ATOM 106 CB THR A 47 4.744 13.230 -3.767 1.00 0.00 C ATOM 107 OG1 THR A 47 5.742 14.222 -3.499 1.00 0.00 O ATOM 108 CG2 THR A 47 3.526 13.888 -4.399 1.00 0.00 C ATOM 0 HA THR A 47 3.334 12.145 -2.547 1.00 0.00 H new ATOM 0 HB THR A 47 5.143 12.493 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.729 14.450 -2.546 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.822 14.395 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.780 13.127 -4.629 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.103 14.613 -3.704 1.00 0.00 H new ATOM 116 N ILE A 48 5.187 10.672 -1.107 1.00 0.00 N ATOM 117 CA ILE A 48 6.021 9.519 -0.794 1.00 0.00 C ATOM 118 C ILE A 48 5.463 8.249 -1.426 1.00 0.00 C ATOM 119 O ILE A 48 6.165 7.244 -1.550 1.00 0.00 O ATOM 120 CB ILE A 48 6.146 9.311 0.727 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.761 9.158 1.358 1.00 0.00 C ATOM 122 CG2 ILE A 48 6.898 10.472 1.361 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.787 8.506 2.722 1.00 0.00 C ATOM 0 H ILE A 48 4.531 10.930 -0.370 1.00 0.00 H new ATOM 0 HA ILE A 48 7.009 9.723 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 48 6.710 8.396 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.299 10.142 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.131 8.566 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.978 10.310 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.896 10.538 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.359 11.401 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.771 8.430 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.220 7.509 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.390 9.108 3.402 1.00 0.00 H new ATOM 135 N PHE A 49 4.197 8.300 -1.826 1.00 0.00 N ATOM 136 CA PHE A 49 3.544 7.153 -2.446 1.00 0.00 C ATOM 137 C PHE A 49 3.150 7.466 -3.887 1.00 0.00 C ATOM 138 O PHE A 49 2.270 6.820 -4.455 1.00 0.00 O ATOM 139 CB PHE A 49 2.306 6.749 -1.643 1.00 0.00 C ATOM 140 CG PHE A 49 2.623 5.934 -0.422 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.003 4.606 -0.538 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.541 6.495 0.842 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.296 3.853 0.583 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.834 5.747 1.967 1.00 0.00 C ATOM 145 CZ PHE A 49 3.210 4.425 1.838 1.00 0.00 C ATOM 0 H PHE A 49 3.603 9.124 -1.732 1.00 0.00 H new ATOM 0 HA PHE A 49 4.251 6.323 -2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.770 7.648 -1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.636 6.179 -2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.071 4.154 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.245 7.528 0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.592 2.820 0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.769 6.197 2.947 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.437 3.839 2.716 1.00 0.00 H new ATOM 155 N SER A 50 3.809 8.461 -4.471 1.00 0.00 N ATOM 156 CA SER A 50 3.525 8.863 -5.844 1.00 0.00 C ATOM 157 C SER A 50 3.724 7.694 -6.805 1.00 0.00 C ATOM 158 O SER A 50 4.824 7.158 -6.928 1.00 0.00 O ATOM 159 CB SER A 50 4.424 10.032 -6.252 1.00 0.00 C ATOM 160 OG SER A 50 4.044 10.552 -7.514 1.00 0.00 O ATOM 0 H SER A 50 4.543 9.004 -4.016 1.00 0.00 H new ATOM 0 HA SER A 50 2.483 9.180 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.367 10.818 -5.499 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.462 9.701 -6.289 1.00 0.00 H new ATOM 0 HG SER A 50 4.633 11.299 -7.751 1.00 0.00 H new ATOM 166 N GLY A 51 2.649 7.305 -7.484 1.00 0.00 N ATOM 167 CA GLY A 51 2.725 6.203 -8.424 1.00 0.00 C ATOM 168 C GLY A 51 2.837 4.858 -7.734 1.00 0.00 C ATOM 169 O GLY A 51 3.656 4.022 -8.116 1.00 0.00 O ATOM 0 H GLY A 51 1.727 7.734 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.839 6.209 -9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.586 6.345 -9.077 1.00 0.00 H new ATOM 173 N VAL A 52 2.013 4.649 -6.712 1.00 0.00 N ATOM 174 CA VAL A 52 2.023 3.396 -5.966 1.00 0.00 C ATOM 175 C VAL A 52 0.609 2.861 -5.770 1.00 0.00 C ATOM 176 O VAL A 52 -0.114 3.302 -4.878 1.00 0.00 O ATOM 177 CB VAL A 52 2.690 3.569 -4.588 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.601 2.280 -3.786 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.138 4.008 -4.749 1.00 0.00 C ATOM 0 H VAL A 52 1.330 5.331 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 52 2.600 2.682 -6.554 1.00 0.00 H new ATOM 0 HB VAL A 52 2.157 4.346 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.077 2.421 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.554 2.013 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.108 1.480 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.594 4.125 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.686 3.255 -5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.173 4.959 -5.281 1.00 0.00 H new ATOM 189 N ALA A 53 0.222 1.907 -6.611 1.00 0.00 N ATOM 190 CA ALA A 53 -1.105 1.310 -6.529 1.00 0.00 C ATOM 191 C ALA A 53 -1.089 0.053 -5.666 1.00 0.00 C ATOM 192 O ALA A 53 -0.318 -0.874 -5.917 1.00 0.00 O ATOM 193 CB ALA A 53 -1.626 0.989 -7.922 1.00 0.00 C ATOM 0 H ALA A 53 0.808 1.532 -7.356 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.773 2.033 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.618 0.544 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.684 1.906 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.950 0.287 -8.411 1.00 0.00 H new ATOM 199 N ILE A 54 -1.943 0.029 -4.648 1.00 0.00 N ATOM 200 CA ILE A 54 -2.026 -1.115 -3.748 1.00 0.00 C ATOM 201 C ILE A 54 -3.369 -1.825 -3.884 1.00 0.00 C ATOM 202 O ILE A 54 -4.319 -1.276 -4.442 1.00 0.00 O ATOM 203 CB ILE A 54 -1.828 -0.692 -2.281 1.00 0.00 C ATOM 204 CG1 ILE A 54 -3.052 0.078 -1.779 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.570 0.151 -2.137 1.00 0.00 C ATOM 206 CD1 ILE A 54 -2.968 0.462 -0.319 1.00 0.00 C ATOM 0 H ILE A 54 -2.587 0.788 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.226 -1.799 -4.032 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.712 -1.589 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.173 0.981 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.943 -0.530 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.444 0.442 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.295 -0.429 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.658 1.045 -2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.869 1.004 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.878 -0.438 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.096 1.097 -0.159 1.00 0.00 H new ATOM 218 N TYR A 55 -3.440 -3.048 -3.370 1.00 0.00 N ATOM 219 CA TYR A 55 -4.666 -3.834 -3.435 1.00 0.00 C ATOM 220 C TYR A 55 -4.830 -4.691 -2.183 1.00 0.00 C ATOM 221 O TYR A 55 -4.072 -5.634 -1.958 1.00 0.00 O ATOM 222 CB TYR A 55 -4.661 -4.724 -4.679 1.00 0.00 C ATOM 223 CG TYR A 55 -5.725 -5.798 -4.659 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.066 -5.477 -4.828 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.389 -7.133 -4.470 1.00 0.00 C ATOM 226 CE1 TYR A 55 -8.042 -6.455 -4.810 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.358 -8.118 -4.452 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.683 -7.773 -4.623 1.00 0.00 C ATOM 229 OH TYR A 55 -8.652 -8.751 -4.604 1.00 0.00 O ATOM 0 H TYR A 55 -2.663 -3.516 -2.904 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.508 -3.144 -3.494 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.802 -4.101 -5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.683 -5.195 -4.775 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.350 -4.446 -4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.353 -7.405 -4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.080 -6.188 -4.942 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.080 -9.151 -4.305 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.232 -9.625 -4.463 1.00 0.00 H new ATOM 239 N VAL A 56 -5.828 -4.355 -1.371 1.00 0.00 N ATOM 240 CA VAL A 56 -6.095 -5.093 -0.143 1.00 0.00 C ATOM 241 C VAL A 56 -6.852 -6.384 -0.431 1.00 0.00 C ATOM 242 O VAL A 56 -7.847 -6.384 -1.154 1.00 0.00 O ATOM 243 CB VAL A 56 -6.907 -4.247 0.856 1.00 0.00 C ATOM 244 CG1 VAL A 56 -7.192 -5.040 2.121 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.171 -2.955 1.180 1.00 0.00 C ATOM 0 H VAL A 56 -6.464 -3.576 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.127 -5.333 0.298 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.861 -3.990 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.766 -4.425 2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.763 -5.934 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.251 -5.331 2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.758 -2.369 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.202 -3.189 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.025 -2.380 0.265 1.00 0.00 H new ATOM 255 N ASN A 57 -6.374 -7.485 0.141 1.00 0.00 N ATOM 256 CA ASN A 57 -7.006 -8.784 -0.054 1.00 0.00 C ATOM 257 C ASN A 57 -7.406 -9.402 1.282 1.00 0.00 C ATOM 258 O ASN A 57 -6.553 -9.728 2.107 1.00 0.00 O ATOM 259 CB ASN A 57 -6.061 -9.727 -0.802 1.00 0.00 C ATOM 260 CG ASN A 57 -6.703 -11.067 -1.108 1.00 0.00 C ATOM 261 OD1 ASN A 57 -6.415 -12.069 -0.454 1.00 0.00 O ATOM 262 ND2 ASN A 57 -7.577 -11.089 -2.107 1.00 0.00 N ATOM 0 H ASN A 57 -5.551 -7.503 0.743 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.907 -8.635 -0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.746 -9.257 -1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.163 -9.885 -0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.041 -11.962 -2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.785 -10.233 -2.622 1.00 0.00 H new ATOM 269 N GLY A 58 -8.710 -9.559 1.489 1.00 0.00 N ATOM 270 CA GLY A 58 -9.200 -10.136 2.727 1.00 0.00 C ATOM 271 C GLY A 58 -9.219 -9.137 3.866 1.00 0.00 C ATOM 272 O GLY A 58 -9.494 -7.954 3.659 1.00 0.00 O ATOM 0 H GLY A 58 -9.435 -9.297 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.207 -10.522 2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.573 -10.984 3.002 1.00 0.00 H new ATOM 276 N TYR A 59 -8.927 -9.611 5.072 1.00 0.00 N ATOM 277 CA TYR A 59 -8.916 -8.751 6.250 1.00 0.00 C ATOM 278 C TYR A 59 -7.495 -8.315 6.592 1.00 0.00 C ATOM 279 O TYR A 59 -6.608 -9.145 6.791 1.00 0.00 O ATOM 280 CB TYR A 59 -9.540 -9.477 7.443 1.00 0.00 C ATOM 281 CG TYR A 59 -9.337 -8.762 8.760 1.00 0.00 C ATOM 282 CD1 TYR A 59 -8.120 -8.830 9.429 1.00 0.00 C ATOM 283 CD2 TYR A 59 -10.360 -8.020 9.336 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.930 -8.179 10.633 1.00 0.00 C ATOM 285 CE2 TYR A 59 -10.178 -7.365 10.538 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.962 -7.447 11.183 1.00 0.00 C ATOM 287 OH TYR A 59 -8.777 -6.797 12.381 1.00 0.00 O ATOM 0 H TYR A 59 -8.695 -10.586 5.260 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.505 -7.862 6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.609 -9.598 7.266 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.113 -10.478 7.513 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.310 -9.401 9.001 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.315 -7.954 8.835 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.979 -8.243 11.141 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.984 -6.791 10.971 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.600 -6.327 12.629 1.00 0.00 H new ATOM 297 N THR A 60 -7.285 -7.003 6.659 1.00 0.00 N ATOM 298 CA THR A 60 -5.973 -6.454 6.976 1.00 0.00 C ATOM 299 C THR A 60 -6.074 -5.369 8.041 1.00 0.00 C ATOM 300 O THR A 60 -7.154 -4.835 8.296 1.00 0.00 O ATOM 301 CB THR A 60 -5.292 -5.868 5.725 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.272 -5.276 4.865 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.532 -6.947 4.967 1.00 0.00 C ATOM 0 H THR A 60 -8.008 -6.302 6.498 1.00 0.00 H new ATOM 0 HA THR A 60 -5.369 -7.278 7.357 1.00 0.00 H new ATOM 0 HB THR A 60 -4.584 -5.105 6.048 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.919 -4.441 4.493 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.059 -6.510 4.088 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.767 -7.376 5.614 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.224 -7.729 4.656 1.00 0.00 H new ATOM 311 N ASP A 61 -4.944 -5.046 8.659 1.00 0.00 N ATOM 312 CA ASP A 61 -4.905 -4.021 9.696 1.00 0.00 C ATOM 313 C ASP A 61 -3.869 -2.952 9.365 1.00 0.00 C ATOM 314 O ASP A 61 -2.670 -3.218 9.282 1.00 0.00 O ATOM 315 CB ASP A 61 -4.589 -4.651 11.054 1.00 0.00 C ATOM 316 CG ASP A 61 -3.105 -4.885 11.253 1.00 0.00 C ATOM 317 OD1 ASP A 61 -2.470 -5.472 10.351 1.00 0.00 O ATOM 318 OD2 ASP A 61 -2.577 -4.480 12.309 1.00 0.00 O ATOM 0 H ASP A 61 -4.042 -5.479 8.460 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.886 -3.549 9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.961 -4.003 11.847 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.118 -5.600 11.143 1.00 0.00 H new ATOM 323 N PRO A 62 -4.340 -1.711 9.170 1.00 0.00 N ATOM 324 CA PRO A 62 -5.765 -1.382 9.265 1.00 0.00 C ATOM 325 C PRO A 62 -6.576 -1.976 8.118 1.00 0.00 C ATOM 326 O PRO A 62 -6.022 -2.600 7.213 1.00 0.00 O ATOM 327 CB PRO A 62 -5.782 0.147 9.195 1.00 0.00 C ATOM 328 CG PRO A 62 -4.535 0.506 8.462 1.00 0.00 C ATOM 329 CD PRO A 62 -3.518 -0.535 8.840 1.00 0.00 C ATOM 0 HA PRO A 62 -6.216 -1.786 10.171 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.667 0.510 8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.797 0.589 10.191 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.704 0.514 7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.193 1.504 8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.831 -0.742 8.019 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.913 -0.216 9.689 1.00 0.00 H new ATOM 337 N SER A 63 -7.889 -1.778 8.163 1.00 0.00 N ATOM 338 CA SER A 63 -8.776 -2.297 7.128 1.00 0.00 C ATOM 339 C SER A 63 -8.472 -1.654 5.779 1.00 0.00 C ATOM 340 O SER A 63 -7.626 -0.766 5.679 1.00 0.00 O ATOM 341 CB SER A 63 -10.237 -2.048 7.507 1.00 0.00 C ATOM 342 OG SER A 63 -10.751 -3.113 8.288 1.00 0.00 O ATOM 0 H SER A 63 -8.363 -1.262 8.905 1.00 0.00 H new ATOM 0 HA SER A 63 -8.607 -3.371 7.045 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.317 -1.114 8.063 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.836 -1.934 6.603 1.00 0.00 H new ATOM 0 HG SER A 63 -11.686 -2.928 8.518 1.00 0.00 H new ATOM 348 N ALA A 64 -9.169 -2.110 4.743 1.00 0.00 N ATOM 349 CA ALA A 64 -8.976 -1.579 3.399 1.00 0.00 C ATOM 350 C ALA A 64 -9.472 -0.140 3.301 1.00 0.00 C ATOM 351 O ALA A 64 -8.845 0.699 2.656 1.00 0.00 O ATOM 352 CB ALA A 64 -9.686 -2.455 2.378 1.00 0.00 C ATOM 0 H ALA A 64 -9.872 -2.846 4.809 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.908 -1.583 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.533 -2.046 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.281 -3.466 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.753 -2.481 2.600 1.00 0.00 H new ATOM 358 N GLU A 65 -10.602 0.136 3.944 1.00 0.00 N ATOM 359 CA GLU A 65 -11.182 1.474 3.927 1.00 0.00 C ATOM 360 C GLU A 65 -10.191 2.504 4.461 1.00 0.00 C ATOM 361 O GLU A 65 -10.117 3.626 3.961 1.00 0.00 O ATOM 362 CB GLU A 65 -12.467 1.508 4.758 1.00 0.00 C ATOM 363 CG GLU A 65 -13.086 2.891 4.866 1.00 0.00 C ATOM 364 CD GLU A 65 -14.498 2.857 5.416 1.00 0.00 C ATOM 365 OE1 GLU A 65 -14.833 1.887 6.129 1.00 0.00 O ATOM 366 OE2 GLU A 65 -15.268 3.798 5.135 1.00 0.00 O ATOM 0 H GLU A 65 -11.134 -0.548 4.483 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.419 1.726 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.194 0.827 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.252 1.136 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.464 3.514 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.095 3.359 3.882 1.00 0.00 H new ATOM 373 N GLU A 66 -9.432 2.113 5.480 1.00 0.00 N ATOM 374 CA GLU A 66 -8.446 3.003 6.082 1.00 0.00 C ATOM 375 C GLU A 66 -7.338 3.340 5.088 1.00 0.00 C ATOM 376 O GLU A 66 -7.070 4.511 4.813 1.00 0.00 O ATOM 377 CB GLU A 66 -7.845 2.362 7.334 1.00 0.00 C ATOM 378 CG GLU A 66 -8.632 2.648 8.602 1.00 0.00 C ATOM 379 CD GLU A 66 -8.229 3.955 9.257 1.00 0.00 C ATOM 380 OE1 GLU A 66 -8.826 4.998 8.916 1.00 0.00 O ATOM 381 OE2 GLU A 66 -7.316 3.936 10.109 1.00 0.00 O ATOM 0 H GLU A 66 -9.481 1.187 5.905 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.952 3.927 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.787 1.283 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.824 2.721 7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.696 2.677 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.485 1.831 9.309 1.00 0.00 H new ATOM 388 N LEU A 67 -6.697 2.307 4.554 1.00 0.00 N ATOM 389 CA LEU A 67 -5.617 2.492 3.591 1.00 0.00 C ATOM 390 C LEU A 67 -6.112 3.234 2.353 1.00 0.00 C ATOM 391 O LEU A 67 -5.437 4.128 1.842 1.00 0.00 O ATOM 392 CB LEU A 67 -5.030 1.139 3.187 1.00 0.00 C ATOM 393 CG LEU A 67 -4.504 0.268 4.328 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.272 -1.157 3.850 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.222 0.855 4.901 1.00 0.00 C ATOM 0 H LEU A 67 -6.906 1.333 4.771 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.840 3.092 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.796 0.578 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.215 1.314 2.485 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.255 0.247 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.898 -1.762 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.211 -1.577 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.541 -1.155 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.862 0.222 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.465 0.908 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.419 1.857 5.283 1.00 0.00 H new ATOM 407 N ARG A 68 -7.295 2.858 1.878 1.00 0.00 N ATOM 408 CA ARG A 68 -7.881 3.489 0.702 1.00 0.00 C ATOM 409 C ARG A 68 -7.690 5.002 0.744 1.00 0.00 C ATOM 410 O ARG A 68 -7.077 5.587 -0.149 1.00 0.00 O ATOM 411 CB ARG A 68 -9.370 3.154 0.606 1.00 0.00 C ATOM 412 CG ARG A 68 -10.079 3.854 -0.542 1.00 0.00 C ATOM 413 CD ARG A 68 -11.528 3.406 -0.658 1.00 0.00 C ATOM 414 NE ARG A 68 -12.406 4.154 0.238 1.00 0.00 N ATOM 415 CZ ARG A 68 -13.714 3.944 0.329 1.00 0.00 C ATOM 416 NH1 ARG A 68 -14.294 3.014 -0.418 1.00 0.00 N ATOM 417 NH2 ARG A 68 -14.447 4.666 1.168 1.00 0.00 N ATOM 0 H ARG A 68 -7.866 2.120 2.290 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.371 3.101 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.485 2.076 0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.856 3.427 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.042 4.933 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.556 3.645 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.866 3.534 -1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.598 2.343 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.992 4.877 0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.735 2.458 -1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.299 2.855 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.006 5.383 1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.452 4.504 1.237 1.00 0.00 H new ATOM 431 N LYS A 69 -8.221 5.631 1.788 1.00 0.00 N ATOM 432 CA LYS A 69 -8.110 7.076 1.948 1.00 0.00 C ATOM 433 C LYS A 69 -6.650 7.498 2.080 1.00 0.00 C ATOM 434 O LYS A 69 -6.141 8.272 1.268 1.00 0.00 O ATOM 435 CB LYS A 69 -8.898 7.535 3.177 1.00 0.00 C ATOM 436 CG LYS A 69 -10.377 7.749 2.907 1.00 0.00 C ATOM 437 CD LYS A 69 -11.173 6.473 3.123 1.00 0.00 C ATOM 438 CE LYS A 69 -11.457 6.236 4.599 1.00 0.00 C ATOM 439 NZ LYS A 69 -12.674 6.964 5.054 1.00 0.00 N ATOM 0 H LYS A 69 -8.732 5.162 2.536 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.527 7.549 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.785 6.794 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.467 8.465 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.758 8.532 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.514 8.096 1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.114 6.533 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.621 5.625 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.585 5.168 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.599 6.558 5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.833 6.777 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.543 7.985 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.497 6.639 4.508 1.00 0.00 H new ATOM 453 N LEU A 70 -5.981 6.984 3.106 1.00 0.00 N ATOM 454 CA LEU A 70 -4.578 7.307 3.344 1.00 0.00 C ATOM 455 C LEU A 70 -3.823 7.456 2.027 1.00 0.00 C ATOM 456 O LEU A 70 -3.183 8.477 1.779 1.00 0.00 O ATOM 457 CB LEU A 70 -3.923 6.222 4.200 1.00 0.00 C ATOM 458 CG LEU A 70 -4.436 6.098 5.635 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.879 4.847 6.296 1.00 0.00 C ATOM 460 CD2 LEU A 70 -4.071 7.337 6.441 1.00 0.00 C ATOM 0 H LEU A 70 -6.387 6.342 3.787 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.534 8.257 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.061 5.262 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.850 6.413 4.234 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.522 6.015 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.255 4.776 7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.191 3.968 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.790 4.899 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.444 7.231 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.987 7.452 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.520 8.217 5.980 1.00 0.00 H new ATOM 472 N MET A 71 -3.905 6.431 1.185 1.00 0.00 N ATOM 473 CA MET A 71 -3.232 6.450 -0.109 1.00 0.00 C ATOM 474 C MET A 71 -3.466 7.776 -0.824 1.00 0.00 C ATOM 475 O MET A 71 -2.549 8.584 -0.970 1.00 0.00 O ATOM 476 CB MET A 71 -3.724 5.293 -0.981 1.00 0.00 C ATOM 477 CG MET A 71 -3.010 3.979 -0.707 1.00 0.00 C ATOM 478 SD MET A 71 -1.227 4.094 -0.954 1.00 0.00 S ATOM 479 CE MET A 71 -0.663 4.285 0.735 1.00 0.00 C ATOM 0 H MET A 71 -4.430 5.578 1.375 1.00 0.00 H new ATOM 0 HA MET A 71 -2.162 6.335 0.064 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.793 5.156 -0.820 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.591 5.557 -2.030 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.212 3.667 0.318 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.415 3.207 -1.361 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.339 5.313 0.896 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.478 4.050 1.420 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.172 3.609 0.919 1.00 0.00 H new ATOM 489 N MET A 72 -4.700 7.994 -1.269 1.00 0.00 N ATOM 490 CA MET A 72 -5.054 9.223 -1.968 1.00 0.00 C ATOM 491 C MET A 72 -4.463 10.440 -1.263 1.00 0.00 C ATOM 492 O MET A 72 -3.843 11.296 -1.894 1.00 0.00 O ATOM 493 CB MET A 72 -6.574 9.362 -2.063 1.00 0.00 C ATOM 494 CG MET A 72 -7.230 8.295 -2.924 1.00 0.00 C ATOM 495 SD MET A 72 -7.148 8.675 -4.684 1.00 0.00 S ATOM 496 CE MET A 72 -8.852 8.410 -5.168 1.00 0.00 C ATOM 0 H MET A 72 -5.471 7.335 -1.158 1.00 0.00 H new ATOM 0 HA MET A 72 -4.638 9.171 -2.974 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.998 9.319 -1.060 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.816 10.344 -2.469 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.745 7.336 -2.740 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.273 8.186 -2.628 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.962 8.606 -6.235 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.134 7.378 -4.958 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.499 9.084 -4.607 1.00 0.00 H new ATOM 506 N LEU A 73 -4.660 10.510 0.049 1.00 0.00 N ATOM 507 CA LEU A 73 -4.147 11.623 0.841 1.00 0.00 C ATOM 508 C LEU A 73 -2.646 11.796 0.629 1.00 0.00 C ATOM 509 O LEU A 73 -2.125 12.910 0.687 1.00 0.00 O ATOM 510 CB LEU A 73 -4.441 11.396 2.325 1.00 0.00 C ATOM 511 CG LEU A 73 -5.798 11.893 2.824 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.886 10.877 2.515 1.00 0.00 C ATOM 513 CD2 LEU A 73 -5.744 12.182 4.318 1.00 0.00 C ATOM 0 H LEU A 73 -5.171 9.810 0.587 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.649 12.533 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.370 10.328 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.661 11.885 2.908 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.037 12.820 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.844 11.249 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.942 10.720 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.653 9.933 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.718 12.535 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.482 11.271 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.993 12.948 4.514 1.00 0.00 H new ATOM 525 N HIS A 74 -1.957 10.686 0.381 1.00 0.00 N ATOM 526 CA HIS A 74 -0.516 10.716 0.157 1.00 0.00 C ATOM 527 C HIS A 74 -0.194 10.577 -1.328 1.00 0.00 C ATOM 528 O HIS A 74 0.880 10.107 -1.699 1.00 0.00 O ATOM 529 CB HIS A 74 0.166 9.597 0.945 1.00 0.00 C ATOM 530 CG HIS A 74 0.284 9.883 2.410 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.201 10.770 2.933 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.408 9.393 3.466 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.069 10.813 4.247 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.099 9.987 4.596 1.00 0.00 N ATOM 0 H HIS A 74 -2.373 9.756 0.330 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.139 11.678 0.504 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.395 8.673 0.808 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.162 9.429 0.534 1.00 0.00 H new ATOM 0 HD1 HIS A 74 1.876 11.309 2.390 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.209 8.670 3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.655 11.420 4.921 1.00 0.00 H new ATOM 542 N GLY A 75 -1.134 10.990 -2.174 1.00 0.00 N ATOM 543 CA GLY A 75 -0.932 10.903 -3.608 1.00 0.00 C ATOM 544 C GLY A 75 -0.916 9.471 -4.105 1.00 0.00 C ATOM 545 O GLY A 75 -0.702 9.220 -5.290 1.00 0.00 O ATOM 0 H GLY A 75 -2.032 11.383 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.724 11.452 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.010 11.386 -3.869 1.00 0.00 H new ATOM 549 N GLY A 76 -1.142 8.527 -3.196 1.00 0.00 N ATOM 550 CA GLY A 76 -1.147 7.125 -3.568 1.00 0.00 C ATOM 551 C GLY A 76 -2.362 6.747 -4.391 1.00 0.00 C ATOM 552 O GLY A 76 -3.301 7.532 -4.518 1.00 0.00 O ATOM 0 H GLY A 76 -1.322 8.709 -2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.244 6.900 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.118 6.513 -2.666 1.00 0.00 H new ATOM 556 N GLN A 77 -2.344 5.542 -4.952 1.00 0.00 N ATOM 557 CA GLN A 77 -3.452 5.064 -5.770 1.00 0.00 C ATOM 558 C GLN A 77 -4.045 3.784 -5.189 1.00 0.00 C ATOM 559 O GLN A 77 -3.334 2.976 -4.591 1.00 0.00 O ATOM 560 CB GLN A 77 -2.986 4.818 -7.206 1.00 0.00 C ATOM 561 CG GLN A 77 -2.474 6.069 -7.901 1.00 0.00 C ATOM 562 CD GLN A 77 -2.190 5.843 -9.374 1.00 0.00 C ATOM 563 OE1 GLN A 77 -1.056 5.564 -9.764 1.00 0.00 O ATOM 564 NE2 GLN A 77 -3.222 5.963 -10.200 1.00 0.00 N ATOM 0 H GLN A 77 -1.575 4.879 -4.855 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.225 5.832 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.196 4.067 -7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.814 4.405 -7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.210 6.866 -7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.563 6.408 -7.407 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.145 6.196 -9.833 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.092 5.823 -11.202 1.00 0.00 H new ATOM 573 N TYR A 78 -5.349 3.607 -5.368 1.00 0.00 N ATOM 574 CA TYR A 78 -6.037 2.427 -4.859 1.00 0.00 C ATOM 575 C TYR A 78 -6.803 1.721 -5.973 1.00 0.00 C ATOM 576 O TYR A 78 -7.185 2.338 -6.968 1.00 0.00 O ATOM 577 CB TYR A 78 -6.996 2.817 -3.733 1.00 0.00 C ATOM 578 CG TYR A 78 -7.732 1.641 -3.131 1.00 0.00 C ATOM 579 CD1 TYR A 78 -8.895 1.151 -3.714 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.265 1.019 -1.980 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.571 0.078 -3.167 1.00 0.00 C ATOM 582 CE2 TYR A 78 -7.933 -0.056 -1.426 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.086 -0.522 -2.023 1.00 0.00 C ATOM 584 OH TYR A 78 -9.756 -1.593 -1.476 1.00 0.00 O ATOM 0 H TYR A 78 -5.951 4.266 -5.862 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.287 1.740 -4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.435 3.324 -2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.723 3.532 -4.118 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.277 1.617 -4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.363 1.382 -1.510 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.474 -0.289 -3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.555 -0.528 -0.531 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.175 -2.048 -0.831 1.00 0.00 H new ATOM 594 N HIS A 79 -7.025 0.422 -5.798 1.00 0.00 N ATOM 595 CA HIS A 79 -7.747 -0.371 -6.787 1.00 0.00 C ATOM 596 C HIS A 79 -8.678 -1.371 -6.108 1.00 0.00 C ATOM 597 O HIS A 79 -8.301 -2.021 -5.133 1.00 0.00 O ATOM 598 CB HIS A 79 -6.764 -1.107 -7.698 1.00 0.00 C ATOM 599 CG HIS A 79 -5.935 -0.194 -8.547 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.637 -0.481 -8.915 1.00 0.00 N ATOM 601 CD2 HIS A 79 -6.226 1.005 -9.103 1.00 0.00 C ATOM 602 CE1 HIS A 79 -4.165 0.504 -9.659 1.00 0.00 C ATOM 603 NE2 HIS A 79 -5.110 1.418 -9.789 1.00 0.00 N ATOM 0 H HIS A 79 -6.715 -0.104 -4.981 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.350 0.308 -7.390 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.103 -1.720 -7.085 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.320 -1.786 -8.345 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.162 1.538 -9.022 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.175 0.553 -10.088 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.025 2.289 -10.313 1.00 0.00 H new ATOM 611 N VAL A 80 -9.895 -1.488 -6.630 1.00 0.00 N ATOM 612 CA VAL A 80 -10.879 -2.409 -6.074 1.00 0.00 C ATOM 613 C VAL A 80 -10.608 -3.840 -6.524 1.00 0.00 C ATOM 614 O VAL A 80 -10.750 -4.784 -5.747 1.00 0.00 O ATOM 615 CB VAL A 80 -12.310 -2.016 -6.485 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.314 -3.033 -5.964 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.644 -0.620 -5.982 1.00 0.00 C ATOM 0 H VAL A 80 -10.223 -0.957 -7.437 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.791 -2.349 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.368 -2.009 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.320 -2.738 -6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.085 -4.015 -6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.258 -3.075 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.659 -0.359 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.569 -0.597 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.944 0.098 -6.409 1.00 0.00 H new ATOM 627 N TYR A 81 -10.217 -3.994 -7.784 1.00 0.00 N ATOM 628 CA TYR A 81 -9.927 -5.311 -8.339 1.00 0.00 C ATOM 629 C TYR A 81 -8.430 -5.487 -8.572 1.00 0.00 C ATOM 630 O TYR A 81 -7.762 -4.593 -9.093 1.00 0.00 O ATOM 631 CB TYR A 81 -10.686 -5.512 -9.652 1.00 0.00 C ATOM 632 CG TYR A 81 -12.180 -5.659 -9.472 1.00 0.00 C ATOM 633 CD1 TYR A 81 -12.933 -4.643 -8.895 1.00 0.00 C ATOM 634 CD2 TYR A 81 -12.839 -6.812 -9.880 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.298 -4.773 -8.728 1.00 0.00 C ATOM 636 CE2 TYR A 81 -14.204 -6.950 -9.718 1.00 0.00 C ATOM 637 CZ TYR A 81 -14.929 -5.928 -9.141 1.00 0.00 C ATOM 638 OH TYR A 81 -16.289 -6.061 -8.977 1.00 0.00 O ATOM 0 H TYR A 81 -10.094 -3.223 -8.441 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.254 -6.061 -7.619 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.489 -4.665 -10.309 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.300 -6.400 -10.153 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.443 -3.737 -8.572 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.274 -7.614 -10.332 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.868 -3.975 -8.276 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -14.701 -7.853 -10.041 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.576 -6.933 -9.321 1.00 0.00 H new ATOM 648 N TYR A 82 -7.910 -6.646 -8.184 1.00 0.00 N ATOM 649 CA TYR A 82 -6.491 -6.940 -8.348 1.00 0.00 C ATOM 650 C TYR A 82 -6.017 -6.573 -9.751 1.00 0.00 C ATOM 651 O TYR A 82 -6.765 -6.691 -10.721 1.00 0.00 O ATOM 652 CB TYR A 82 -6.221 -8.421 -8.077 1.00 0.00 C ATOM 653 CG TYR A 82 -4.860 -8.884 -8.545 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.708 -8.197 -8.180 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.725 -10.007 -9.351 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.462 -8.615 -8.605 1.00 0.00 C ATOM 657 CE2 TYR A 82 -3.483 -10.434 -9.779 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.355 -9.735 -9.404 1.00 0.00 C ATOM 659 OH TYR A 82 -1.116 -10.156 -9.830 1.00 0.00 O ATOM 0 H TYR A 82 -8.449 -7.397 -7.754 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.936 -6.339 -7.628 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.311 -8.608 -7.007 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.988 -9.018 -8.571 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.789 -7.321 -7.553 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.606 -10.556 -9.648 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.577 -8.069 -8.314 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.396 -11.311 -10.404 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.216 -10.959 -10.383 1.00 0.00 H new ATOM 669 N SER A 83 -4.768 -6.128 -9.849 1.00 0.00 N ATOM 670 CA SER A 83 -4.194 -5.741 -11.132 1.00 0.00 C ATOM 671 C SER A 83 -2.738 -6.187 -11.232 1.00 0.00 C ATOM 672 O SER A 83 -2.001 -6.164 -10.246 1.00 0.00 O ATOM 673 CB SER A 83 -4.289 -4.226 -11.320 1.00 0.00 C ATOM 674 OG SER A 83 -5.588 -3.844 -11.738 1.00 0.00 O ATOM 0 H SER A 83 -4.135 -6.027 -9.056 1.00 0.00 H new ATOM 0 HA SER A 83 -4.762 -6.234 -11.921 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.043 -3.724 -10.384 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.556 -3.901 -12.058 1.00 0.00 H new ATOM 0 HG SER A 83 -6.217 -4.574 -11.560 1.00 0.00 H new ATOM 680 N ARG A 84 -2.331 -6.592 -12.430 1.00 0.00 N ATOM 681 CA ARG A 84 -0.964 -7.044 -12.660 1.00 0.00 C ATOM 682 C ARG A 84 -0.080 -5.890 -13.125 1.00 0.00 C ATOM 683 O ARG A 84 1.080 -5.785 -12.726 1.00 0.00 O ATOM 684 CB ARG A 84 -0.944 -8.166 -13.700 1.00 0.00 C ATOM 685 CG ARG A 84 -1.560 -9.465 -13.206 1.00 0.00 C ATOM 686 CD ARG A 84 -0.934 -10.673 -13.887 1.00 0.00 C ATOM 687 NE ARG A 84 -1.440 -10.859 -15.244 1.00 0.00 N ATOM 688 CZ ARG A 84 -2.693 -11.203 -15.521 1.00 0.00 C ATOM 689 NH1 ARG A 84 -3.563 -11.396 -14.540 1.00 0.00 N ATOM 690 NH2 ARG A 84 -3.077 -11.353 -16.782 1.00 0.00 N ATOM 0 H ARG A 84 -2.928 -6.617 -13.257 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.570 -7.424 -11.717 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.480 -7.835 -14.590 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.087 -8.354 -14.000 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.427 -9.545 -12.127 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.633 -9.455 -13.395 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.149 -10.551 -13.917 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.138 -11.567 -13.298 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.796 -10.717 -16.022 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.271 -11.280 -13.569 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.524 -11.660 -14.756 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.410 -11.204 -17.539 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.039 -11.617 -16.994 1.00 0.00 H new ATOM 704 N SER A 85 -0.637 -5.029 -13.970 1.00 0.00 N ATOM 705 CA SER A 85 0.102 -3.885 -14.492 1.00 0.00 C ATOM 706 C SER A 85 -0.189 -2.630 -13.674 1.00 0.00 C ATOM 707 O SER A 85 0.726 -1.967 -13.186 1.00 0.00 O ATOM 708 CB SER A 85 -0.258 -3.645 -15.959 1.00 0.00 C ATOM 709 OG SER A 85 0.048 -4.780 -16.751 1.00 0.00 O ATOM 0 H SER A 85 -1.597 -5.101 -14.308 1.00 0.00 H new ATOM 0 HA SER A 85 1.166 -4.107 -14.418 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.320 -3.414 -16.043 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.287 -2.779 -16.334 1.00 0.00 H new ATOM 0 HG SER A 85 -0.193 -4.602 -17.684 1.00 0.00 H new ATOM 715 N LYS A 86 -1.471 -2.312 -13.528 1.00 0.00 N ATOM 716 CA LYS A 86 -1.886 -1.138 -12.768 1.00 0.00 C ATOM 717 C LYS A 86 -1.346 -1.194 -11.342 1.00 0.00 C ATOM 718 O LYS A 86 -0.559 -0.341 -10.931 1.00 0.00 O ATOM 719 CB LYS A 86 -3.413 -1.035 -12.743 1.00 0.00 C ATOM 720 CG LYS A 86 -3.987 -0.227 -13.894 1.00 0.00 C ATOM 721 CD LYS A 86 -5.379 0.289 -13.572 1.00 0.00 C ATOM 722 CE LYS A 86 -6.214 0.463 -14.832 1.00 0.00 C ATOM 723 NZ LYS A 86 -6.837 -0.818 -15.265 1.00 0.00 N ATOM 0 H LYS A 86 -2.241 -2.851 -13.926 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.476 -0.255 -13.258 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.837 -2.039 -12.768 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.723 -0.581 -11.802 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.328 0.613 -14.114 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.025 -0.846 -14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.878 -0.405 -12.896 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.303 1.243 -13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.993 1.203 -14.652 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.585 0.851 -15.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.397 -0.658 -16.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.093 -1.517 -15.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.457 -1.175 -14.510 1.00 0.00 H new ATOM 737 N THR A 87 -1.773 -2.205 -10.592 1.00 0.00 N ATOM 738 CA THR A 87 -1.333 -2.372 -9.212 1.00 0.00 C ATOM 739 C THR A 87 0.128 -2.804 -9.150 1.00 0.00 C ATOM 740 O THR A 87 0.547 -3.720 -9.860 1.00 0.00 O ATOM 741 CB THR A 87 -2.195 -3.409 -8.469 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.522 -2.902 -8.285 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.586 -3.751 -7.118 1.00 0.00 C ATOM 0 H THR A 87 -2.423 -2.921 -10.917 1.00 0.00 H new ATOM 0 HA THR A 87 -1.444 -1.403 -8.725 1.00 0.00 H new ATOM 0 HB THR A 87 -2.233 -4.316 -9.073 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.528 -1.936 -8.448 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.213 -4.485 -6.612 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.588 -4.164 -7.263 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.521 -2.849 -6.510 1.00 0.00 H new ATOM 751 N THR A 88 0.901 -2.140 -8.297 1.00 0.00 N ATOM 752 CA THR A 88 2.316 -2.455 -8.142 1.00 0.00 C ATOM 753 C THR A 88 2.529 -3.507 -7.060 1.00 0.00 C ATOM 754 O THR A 88 3.200 -4.516 -7.285 1.00 0.00 O ATOM 755 CB THR A 88 3.136 -1.200 -7.791 1.00 0.00 C ATOM 756 OG1 THR A 88 2.537 -0.518 -6.683 1.00 0.00 O ATOM 757 CG2 THR A 88 3.225 -0.260 -8.983 1.00 0.00 C ATOM 0 H THR A 88 0.571 -1.380 -7.702 1.00 0.00 H new ATOM 0 HA THR A 88 2.659 -2.847 -9.099 1.00 0.00 H new ATOM 0 HB THR A 88 4.144 -1.515 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.988 -0.782 -5.854 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.809 0.619 -8.710 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.708 -0.772 -9.815 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.222 0.048 -9.279 1.00 0.00 H new ATOM 765 N HIS A 89 1.955 -3.267 -5.886 1.00 0.00 N ATOM 766 CA HIS A 89 2.082 -4.196 -4.769 1.00 0.00 C ATOM 767 C HIS A 89 0.711 -4.685 -4.310 1.00 0.00 C ATOM 768 O HIS A 89 -0.312 -4.078 -4.626 1.00 0.00 O ATOM 769 CB HIS A 89 2.814 -3.529 -3.604 1.00 0.00 C ATOM 770 CG HIS A 89 4.093 -2.861 -4.005 1.00 0.00 C ATOM 771 ND1 HIS A 89 4.148 -1.573 -4.495 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.370 -3.308 -3.985 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.403 -1.257 -4.760 1.00 0.00 C ATOM 774 NE2 HIS A 89 6.165 -2.294 -4.459 1.00 0.00 N ATOM 0 H HIS A 89 1.397 -2.437 -5.683 1.00 0.00 H new ATOM 0 HA HIS A 89 2.660 -5.056 -5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.156 -2.790 -3.147 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.028 -4.279 -2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.702 -4.282 -3.657 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.747 -0.313 -5.155 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.179 -2.334 -4.562 1.00 0.00 H new ATOM 782 N ILE A 90 0.700 -5.785 -3.565 1.00 0.00 N ATOM 783 CA ILE A 90 -0.545 -6.354 -3.063 1.00 0.00 C ATOM 784 C ILE A 90 -0.551 -6.404 -1.539 1.00 0.00 C ATOM 785 O ILE A 90 0.298 -7.051 -0.925 1.00 0.00 O ATOM 786 CB ILE A 90 -0.776 -7.774 -3.613 1.00 0.00 C ATOM 787 CG1 ILE A 90 -1.043 -7.724 -5.119 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.935 -8.441 -2.886 1.00 0.00 C ATOM 789 CD1 ILE A 90 -1.063 -9.088 -5.774 1.00 0.00 C ATOM 0 H ILE A 90 1.538 -6.300 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.350 -5.705 -3.406 1.00 0.00 H new ATOM 0 HB ILE A 90 0.124 -8.365 -3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.999 -7.231 -5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.277 -7.112 -5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.086 -9.444 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.709 -8.505 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.841 -7.853 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.257 -8.977 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.099 -9.575 -5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.847 -9.696 -5.324 1.00 0.00 H new ATOM 801 N ILE A 91 -1.516 -5.718 -0.934 1.00 0.00 N ATOM 802 CA ILE A 91 -1.635 -5.686 0.518 1.00 0.00 C ATOM 803 C ILE A 91 -2.511 -6.827 1.023 1.00 0.00 C ATOM 804 O ILE A 91 -3.677 -6.942 0.643 1.00 0.00 O ATOM 805 CB ILE A 91 -2.221 -4.348 1.006 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.263 -3.199 0.685 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.505 -4.408 2.499 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.152 -3.443 1.159 1.00 0.00 C ATOM 0 H ILE A 91 -2.226 -5.177 -1.427 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.628 -5.799 0.920 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.161 -4.168 0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.254 -3.035 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.639 -2.284 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.919 -3.455 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.221 -5.204 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.579 -4.608 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.776 -2.588 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.155 -3.578 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.546 -4.339 0.681 1.00 0.00 H new ATOM 820 N ALA A 92 -1.944 -7.667 1.882 1.00 0.00 N ATOM 821 CA ALA A 92 -2.675 -8.797 2.442 1.00 0.00 C ATOM 822 C ALA A 92 -1.936 -9.391 3.636 1.00 0.00 C ATOM 823 O ALA A 92 -0.748 -9.706 3.551 1.00 0.00 O ATOM 824 CB ALA A 92 -2.901 -9.860 1.377 1.00 0.00 C ATOM 0 H ALA A 92 -0.980 -7.586 2.206 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.643 -8.435 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.448 -10.698 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.478 -9.435 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.939 -10.210 1.002 1.00 0.00 H new ATOM 830 N THR A 93 -2.646 -9.543 4.750 1.00 0.00 N ATOM 831 CA THR A 93 -2.057 -10.097 5.962 1.00 0.00 C ATOM 832 C THR A 93 -1.533 -11.509 5.723 1.00 0.00 C ATOM 833 O THR A 93 -0.341 -11.772 5.874 1.00 0.00 O ATOM 834 CB THR A 93 -3.075 -10.129 7.118 1.00 0.00 C ATOM 835 OG1 THR A 93 -4.404 -10.240 6.597 1.00 0.00 O ATOM 836 CG2 THR A 93 -2.962 -8.875 7.972 1.00 0.00 C ATOM 0 H THR A 93 -3.630 -9.290 4.837 1.00 0.00 H new ATOM 0 HA THR A 93 -1.227 -9.445 6.236 1.00 0.00 H new ATOM 0 HB THR A 93 -2.857 -10.996 7.742 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.973 -9.554 7.004 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.690 -8.919 8.782 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.958 -8.809 8.390 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.157 -7.997 7.357 1.00 0.00 H new ATOM 844 N ASN A 94 -2.432 -12.413 5.348 1.00 0.00 N ATOM 845 CA ASN A 94 -2.060 -13.799 5.088 1.00 0.00 C ATOM 846 C ASN A 94 -2.978 -14.421 4.040 1.00 0.00 C ATOM 847 O ASN A 94 -4.199 -14.279 4.106 1.00 0.00 O ATOM 848 CB ASN A 94 -2.116 -14.615 6.380 1.00 0.00 C ATOM 849 CG ASN A 94 -3.535 -14.976 6.776 1.00 0.00 C ATOM 850 OD1 ASN A 94 -3.905 -16.150 6.798 1.00 0.00 O ATOM 851 ND2 ASN A 94 -4.336 -13.965 7.089 1.00 0.00 N ATOM 0 H ASN A 94 -3.423 -12.211 5.217 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.040 -13.809 4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.533 -15.528 6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.650 -14.047 7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -5.302 -14.145 7.362 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -3.985 -13.008 7.057 1.00 0.00 H new ATOM 858 N LEU A 95 -2.381 -15.111 3.074 1.00 0.00 N ATOM 859 CA LEU A 95 -3.145 -15.756 2.011 1.00 0.00 C ATOM 860 C LEU A 95 -3.115 -17.273 2.164 1.00 0.00 C ATOM 861 O LEU A 95 -2.113 -17.861 2.570 1.00 0.00 O ATOM 862 CB LEU A 95 -2.588 -15.359 0.643 1.00 0.00 C ATOM 863 CG LEU A 95 -2.270 -13.875 0.453 1.00 0.00 C ATOM 864 CD1 LEU A 95 -3.414 -13.014 0.965 1.00 0.00 C ATOM 865 CD2 LEU A 95 -0.971 -13.513 1.158 1.00 0.00 C ATOM 0 H LEU A 95 -1.371 -15.238 3.005 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.180 -15.422 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.678 -15.931 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.307 -15.657 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.147 -13.683 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.170 -11.961 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.324 -13.254 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.569 -13.209 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.761 -12.453 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.065 -13.721 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.155 -14.105 0.744 1.00 0.00 H new ATOM 877 N PRO A 96 -4.239 -17.924 1.829 1.00 0.00 N ATOM 878 CA PRO A 96 -4.366 -19.382 1.917 1.00 0.00 C ATOM 879 C PRO A 96 -3.521 -20.102 0.872 1.00 0.00 C ATOM 880 O PRO A 96 -3.299 -19.587 -0.223 1.00 0.00 O ATOM 881 CB PRO A 96 -5.855 -19.624 1.660 1.00 0.00 C ATOM 882 CG PRO A 96 -6.298 -18.449 0.858 1.00 0.00 C ATOM 883 CD PRO A 96 -5.472 -17.287 1.337 1.00 0.00 C ATOM 0 HA PRO A 96 -4.017 -19.764 2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.017 -20.556 1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.411 -19.698 2.595 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.146 -18.623 -0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.361 -18.257 1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -5.266 -16.582 0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.979 -16.731 2.126 1.00 0.00 H new ATOM 891 N ASN A 97 -3.052 -21.297 1.218 1.00 0.00 N ATOM 892 CA ASN A 97 -2.230 -22.088 0.309 1.00 0.00 C ATOM 893 C ASN A 97 -2.676 -21.891 -1.137 1.00 0.00 C ATOM 894 O ASN A 97 -1.913 -21.403 -1.971 1.00 0.00 O ATOM 895 CB ASN A 97 -2.305 -23.570 0.680 1.00 0.00 C ATOM 896 CG ASN A 97 -1.576 -24.453 -0.314 1.00 0.00 C ATOM 897 OD1 ASN A 97 -1.724 -24.296 -1.526 1.00 0.00 O ATOM 898 ND2 ASN A 97 -0.782 -25.387 0.195 1.00 0.00 N ATOM 0 H ASN A 97 -3.227 -21.738 2.121 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.198 -21.749 0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.878 -23.715 1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.350 -23.875 0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.265 -26.010 -0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.689 -25.482 1.206 1.00 0.00 H new ATOM 905 N ALA A 98 -3.915 -22.274 -1.426 1.00 0.00 N ATOM 906 CA ALA A 98 -4.463 -22.137 -2.770 1.00 0.00 C ATOM 907 C ALA A 98 -4.146 -20.765 -3.355 1.00 0.00 C ATOM 908 O ALA A 98 -3.493 -20.656 -4.393 1.00 0.00 O ATOM 909 CB ALA A 98 -5.966 -22.372 -2.754 1.00 0.00 C ATOM 0 H ALA A 98 -4.558 -22.682 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.996 -22.890 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.362 -22.266 -3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.173 -23.377 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.442 -21.641 -2.100 1.00 0.00 H new ATOM 915 N LYS A 99 -4.615 -19.718 -2.683 1.00 0.00 N ATOM 916 CA LYS A 99 -4.381 -18.352 -3.135 1.00 0.00 C ATOM 917 C LYS A 99 -2.894 -18.100 -3.361 1.00 0.00 C ATOM 918 O LYS A 99 -2.475 -17.754 -4.466 1.00 0.00 O ATOM 919 CB LYS A 99 -4.929 -17.354 -2.112 1.00 0.00 C ATOM 920 CG LYS A 99 -6.443 -17.231 -2.133 1.00 0.00 C ATOM 921 CD LYS A 99 -6.924 -16.478 -3.362 1.00 0.00 C ATOM 922 CE LYS A 99 -7.007 -14.982 -3.103 1.00 0.00 C ATOM 923 NZ LYS A 99 -8.320 -14.592 -2.518 1.00 0.00 N ATOM 0 H LYS A 99 -5.159 -19.790 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.902 -18.215 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.611 -17.658 -1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.491 -16.374 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.890 -18.225 -2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.780 -16.715 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.246 -16.667 -4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.904 -16.852 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.206 -14.686 -2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.851 -14.443 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.787 -13.902 -3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.922 -15.435 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.170 -14.166 -1.581 1.00 0.00 H new ATOM 937 N ILE A 100 -2.102 -18.276 -2.309 1.00 0.00 N ATOM 938 CA ILE A 100 -0.662 -18.070 -2.394 1.00 0.00 C ATOM 939 C ILE A 100 -0.127 -18.489 -3.759 1.00 0.00 C ATOM 940 O ILE A 100 0.525 -17.705 -4.450 1.00 0.00 O ATOM 941 CB ILE A 100 0.085 -18.855 -1.299 1.00 0.00 C ATOM 942 CG1 ILE A 100 -0.359 -18.386 0.088 1.00 0.00 C ATOM 943 CG2 ILE A 100 1.589 -18.692 -1.464 1.00 0.00 C ATOM 944 CD1 ILE A 100 0.003 -19.350 1.196 1.00 0.00 C ATOM 0 H ILE A 100 -2.434 -18.561 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.486 -17.004 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.159 -19.913 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.095 -17.417 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.439 -18.238 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.104 -19.252 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.891 -19.070 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.851 -17.637 -1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.342 -18.953 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.472 -20.313 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.085 -19.479 1.227 1.00 0.00 H new ATOM 956 N LYS A 101 -0.408 -19.729 -4.144 1.00 0.00 N ATOM 957 CA LYS A 101 0.042 -20.253 -5.428 1.00 0.00 C ATOM 958 C LYS A 101 -0.359 -19.320 -6.566 1.00 0.00 C ATOM 959 O LYS A 101 0.436 -19.047 -7.465 1.00 0.00 O ATOM 960 CB LYS A 101 -0.543 -21.647 -5.666 1.00 0.00 C ATOM 961 CG LYS A 101 0.239 -22.470 -6.675 1.00 0.00 C ATOM 962 CD LYS A 101 -0.609 -23.586 -7.262 1.00 0.00 C ATOM 963 CE LYS A 101 0.253 -24.716 -7.804 1.00 0.00 C ATOM 964 NZ LYS A 101 -0.506 -25.993 -7.904 1.00 0.00 N ATOM 0 H LYS A 101 -0.946 -20.391 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 101 1.130 -20.322 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.576 -22.185 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.572 -21.546 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.595 -21.822 -7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.120 -22.896 -6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.281 -23.975 -6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.233 -23.188 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.634 -24.442 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.117 -24.857 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.116 -26.738 -8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.849 -26.268 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.316 -25.866 -8.543 1.00 0.00 H new ATOM 978 N GLU A 102 -1.595 -18.834 -6.520 1.00 0.00 N ATOM 979 CA GLU A 102 -2.099 -17.931 -7.548 1.00 0.00 C ATOM 980 C GLU A 102 -1.264 -16.656 -7.609 1.00 0.00 C ATOM 981 O GLU A 102 -1.009 -16.118 -8.688 1.00 0.00 O ATOM 982 CB GLU A 102 -3.564 -17.582 -7.278 1.00 0.00 C ATOM 983 CG GLU A 102 -4.117 -16.515 -8.207 1.00 0.00 C ATOM 984 CD GLU A 102 -3.921 -16.858 -9.671 1.00 0.00 C ATOM 985 OE1 GLU A 102 -2.837 -16.552 -10.212 1.00 0.00 O ATOM 986 OE2 GLU A 102 -4.851 -17.431 -10.277 1.00 0.00 O ATOM 0 H GLU A 102 -2.266 -19.050 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.025 -18.439 -8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.167 -18.484 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.664 -17.241 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.180 -16.381 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.630 -15.564 -7.992 1.00 0.00 H new ATOM 993 N LEU A 103 -0.841 -16.176 -6.445 1.00 0.00 N ATOM 994 CA LEU A 103 -0.034 -14.964 -6.365 1.00 0.00 C ATOM 995 C LEU A 103 1.447 -15.282 -6.541 1.00 0.00 C ATOM 996 O LEU A 103 2.302 -14.704 -5.869 1.00 0.00 O ATOM 997 CB LEU A 103 -0.261 -14.265 -5.023 1.00 0.00 C ATOM 998 CG LEU A 103 -1.703 -13.863 -4.711 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.820 -13.363 -3.279 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.186 -12.803 -5.689 1.00 0.00 C ATOM 0 H LEU A 103 -1.044 -16.608 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.342 -14.299 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.091 -14.923 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.359 -13.369 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.336 -14.743 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.853 -13.082 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.517 -14.153 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.174 -12.496 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.214 -12.530 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.549 -11.921 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.141 -13.197 -6.704 1.00 0.00 H new ATOM 1012 N LYS A 104 1.745 -16.203 -7.451 1.00 0.00 N ATOM 1013 CA LYS A 104 3.123 -16.596 -7.720 1.00 0.00 C ATOM 1014 C LYS A 104 3.916 -15.434 -8.309 1.00 0.00 C ATOM 1015 O LYS A 104 3.565 -14.900 -9.360 1.00 0.00 O ATOM 1016 CB LYS A 104 3.156 -17.788 -8.680 1.00 0.00 C ATOM 1017 CG LYS A 104 4.376 -18.677 -8.503 1.00 0.00 C ATOM 1018 CD LYS A 104 4.739 -19.388 -9.796 1.00 0.00 C ATOM 1019 CE LYS A 104 3.965 -20.688 -9.954 1.00 0.00 C ATOM 1020 NZ LYS A 104 4.593 -21.803 -9.193 1.00 0.00 N ATOM 0 H LYS A 104 1.050 -16.692 -8.015 1.00 0.00 H new ATOM 0 HA LYS A 104 3.583 -16.884 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.257 -18.386 -8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.131 -17.419 -9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.221 -18.075 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.181 -19.414 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.531 -18.734 -10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.809 -19.596 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.941 -20.545 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.912 -20.953 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.036 -22.671 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.562 -21.957 -9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.620 -21.561 -8.182 1.00 0.00 H new ATOM 1034 N GLY A 105 4.988 -15.048 -7.624 1.00 0.00 N ATOM 1035 CA GLY A 105 5.814 -13.952 -8.096 1.00 0.00 C ATOM 1036 C GLY A 105 5.329 -12.604 -7.599 1.00 0.00 C ATOM 1037 O GLY A 105 6.113 -11.664 -7.473 1.00 0.00 O ATOM 0 H GLY A 105 5.299 -15.474 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.842 -14.108 -7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.824 -13.952 -9.186 1.00 0.00 H new ATOM 1041 N GLU A 106 4.033 -12.510 -7.319 1.00 0.00 N ATOM 1042 CA GLU A 106 3.445 -11.266 -6.836 1.00 0.00 C ATOM 1043 C GLU A 106 4.228 -10.722 -5.644 1.00 0.00 C ATOM 1044 O GLU A 106 4.934 -11.462 -4.959 1.00 0.00 O ATOM 1045 CB GLU A 106 1.983 -11.486 -6.442 1.00 0.00 C ATOM 1046 CG GLU A 106 1.006 -11.272 -7.586 1.00 0.00 C ATOM 1047 CD GLU A 106 1.300 -12.161 -8.779 1.00 0.00 C ATOM 1048 OE1 GLU A 106 0.788 -13.300 -8.810 1.00 0.00 O ATOM 1049 OE2 GLU A 106 2.042 -11.719 -9.681 1.00 0.00 O ATOM 0 H GLU A 106 3.371 -13.279 -7.418 1.00 0.00 H new ATOM 0 HA GLU A 106 3.490 -10.535 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.867 -12.501 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.729 -10.808 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.007 -11.466 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.041 -10.228 -7.898 1.00 0.00 H new ATOM 1056 N LYS A 107 4.097 -9.421 -5.403 1.00 0.00 N ATOM 1057 CA LYS A 107 4.790 -8.775 -4.294 1.00 0.00 C ATOM 1058 C LYS A 107 3.833 -8.504 -3.138 1.00 0.00 C ATOM 1059 O LYS A 107 3.283 -7.409 -3.018 1.00 0.00 O ATOM 1060 CB LYS A 107 5.429 -7.465 -4.760 1.00 0.00 C ATOM 1061 CG LYS A 107 6.518 -7.655 -5.801 1.00 0.00 C ATOM 1062 CD LYS A 107 7.875 -7.876 -5.153 1.00 0.00 C ATOM 1063 CE LYS A 107 8.592 -6.559 -4.897 1.00 0.00 C ATOM 1064 NZ LYS A 107 9.057 -5.925 -6.162 1.00 0.00 N ATOM 0 H LYS A 107 3.517 -8.794 -5.961 1.00 0.00 H new ATOM 0 HA LYS A 107 5.572 -9.449 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.654 -6.819 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.849 -6.949 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.273 -8.508 -6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.561 -6.779 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.747 -8.411 -4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.488 -8.506 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.922 -5.877 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.446 -6.732 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.798 -5.227 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.442 -6.655 -6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.257 -5.450 -6.627 1.00 0.00 H new ATOM 1078 N VAL A 108 3.639 -9.508 -2.289 1.00 0.00 N ATOM 1079 CA VAL A 108 2.750 -9.377 -1.140 1.00 0.00 C ATOM 1080 C VAL A 108 3.437 -8.642 0.005 1.00 0.00 C ATOM 1081 O VAL A 108 4.450 -9.102 0.533 1.00 0.00 O ATOM 1082 CB VAL A 108 2.273 -10.753 -0.640 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.056 -10.602 0.260 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.968 -11.670 -1.814 1.00 0.00 C ATOM 0 H VAL A 108 4.085 -10.421 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 108 1.887 -8.800 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 108 3.074 -11.205 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.733 -11.585 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.314 -9.984 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.248 -10.129 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.632 -12.638 -1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.185 -11.226 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.868 -11.804 -2.414 1.00 0.00 H new ATOM 1094 N ILE A 109 2.879 -7.497 0.385 1.00 0.00 N ATOM 1095 CA ILE A 109 3.438 -6.699 1.469 1.00 0.00 C ATOM 1096 C ILE A 109 2.407 -6.468 2.569 1.00 0.00 C ATOM 1097 O ILE A 109 1.222 -6.278 2.293 1.00 0.00 O ATOM 1098 CB ILE A 109 3.944 -5.336 0.962 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.748 -5.514 -0.328 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.789 -4.655 2.029 1.00 0.00 C ATOM 1101 CD1 ILE A 109 5.963 -6.400 -0.165 1.00 0.00 C ATOM 0 H ILE A 109 2.041 -7.102 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 109 4.279 -7.262 1.874 1.00 0.00 H new ATOM 0 HB ILE A 109 3.084 -4.702 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.100 -5.938 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.067 -4.535 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.140 -3.693 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.188 -4.500 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.646 -5.284 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.485 -6.481 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.632 -5.967 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.649 -7.391 0.163 1.00 0.00 H new ATOM 1113 N ARG A 110 2.866 -6.484 3.816 1.00 0.00 N ATOM 1114 CA ARG A 110 1.984 -6.276 4.958 1.00 0.00 C ATOM 1115 C ARG A 110 1.409 -4.862 4.950 1.00 0.00 C ATOM 1116 O ARG A 110 2.023 -3.919 4.451 1.00 0.00 O ATOM 1117 CB ARG A 110 2.739 -6.524 6.265 1.00 0.00 C ATOM 1118 CG ARG A 110 2.925 -7.996 6.591 1.00 0.00 C ATOM 1119 CD ARG A 110 3.035 -8.226 8.090 1.00 0.00 C ATOM 1120 NE ARG A 110 3.847 -9.398 8.406 1.00 0.00 N ATOM 1121 CZ ARG A 110 4.266 -9.693 9.632 1.00 0.00 C ATOM 1122 NH1 ARG A 110 3.951 -8.905 10.651 1.00 0.00 N ATOM 1123 NH2 ARG A 110 5.001 -10.778 9.840 1.00 0.00 N ATOM 0 H ARG A 110 3.844 -6.639 4.061 1.00 0.00 H new ATOM 0 HA ARG A 110 1.160 -6.985 4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.717 -6.047 6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.200 -6.045 7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.085 -8.566 6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.823 -8.368 6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.471 -7.345 8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.038 -8.352 8.512 1.00 0.00 H new ATOM 0 HE ARG A 110 4.107 -10.024 7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.386 -8.070 10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.274 -9.134 11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.245 -11.386 9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.322 -11.004 10.781 1.00 0.00 H new ATOM 1137 N PRO A 111 0.202 -4.710 5.516 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.481 -3.416 5.587 1.00 0.00 C ATOM 1139 C PRO A 111 0.201 -2.452 6.552 1.00 0.00 C ATOM 1140 O PRO A 111 -0.245 -1.319 6.729 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.879 -3.780 6.094 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.691 -5.056 6.839 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.587 -5.791 6.130 1.00 0.00 C ATOM 0 HA PRO A 111 -0.481 -2.902 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.281 -3.000 6.740 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.580 -3.903 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.427 -4.865 7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.609 -5.643 6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.012 -6.382 6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.979 -6.479 5.380 1.00 0.00 H new ATOM 1151 N GLU A 112 1.283 -2.910 7.172 1.00 0.00 N ATOM 1152 CA GLU A 112 2.026 -2.087 8.120 1.00 0.00 C ATOM 1153 C GLU A 112 3.057 -1.223 7.399 1.00 0.00 C ATOM 1154 O GLU A 112 3.292 -0.075 7.775 1.00 0.00 O ATOM 1155 CB GLU A 112 2.720 -2.968 9.160 1.00 0.00 C ATOM 1156 CG GLU A 112 1.858 -3.271 10.374 1.00 0.00 C ATOM 1157 CD GLU A 112 2.180 -4.616 10.997 1.00 0.00 C ATOM 1158 OE1 GLU A 112 2.078 -5.639 10.289 1.00 0.00 O ATOM 1159 OE2 GLU A 112 2.535 -4.644 12.195 1.00 0.00 O ATOM 0 H GLU A 112 1.665 -3.846 7.036 1.00 0.00 H new ATOM 0 HA GLU A 112 1.317 -1.431 8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.014 -3.907 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.635 -2.475 9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.997 -2.487 11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.808 -3.252 10.083 1.00 0.00 H new ATOM 1166 N TRP A 113 3.669 -1.785 6.363 1.00 0.00 N ATOM 1167 CA TRP A 113 4.675 -1.067 5.589 1.00 0.00 C ATOM 1168 C TRP A 113 4.185 0.329 5.220 1.00 0.00 C ATOM 1169 O TRP A 113 4.951 1.293 5.249 1.00 0.00 O ATOM 1170 CB TRP A 113 5.028 -1.848 4.322 1.00 0.00 C ATOM 1171 CG TRP A 113 5.844 -1.058 3.345 1.00 0.00 C ATOM 1172 CD1 TRP A 113 7.059 -0.478 3.572 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.503 -0.760 1.986 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.494 0.163 2.437 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.557 0.004 1.450 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.410 -1.066 1.171 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.549 0.466 0.136 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.402 -0.607 -0.133 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.466 0.152 -0.640 1.00 0.00 C ATOM 0 H TRP A 113 3.486 -2.735 6.040 1.00 0.00 H new ATOM 0 HA TRP A 113 5.568 -0.967 6.206 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.577 -2.747 4.600 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.108 -2.174 3.836 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.599 -0.517 4.506 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.372 0.674 2.344 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.586 -1.651 1.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.368 1.051 -0.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.562 -0.837 -0.772 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.431 0.496 -1.663 1.00 0.00 H new ATOM 1190 N ILE A 114 2.906 0.430 4.875 1.00 0.00 N ATOM 1191 CA ILE A 114 2.315 1.710 4.503 1.00 0.00 C ATOM 1192 C ILE A 114 2.138 2.609 5.721 1.00 0.00 C ATOM 1193 O ILE A 114 2.764 3.665 5.823 1.00 0.00 O ATOM 1194 CB ILE A 114 0.949 1.520 3.816 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.124 0.809 2.473 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.262 2.864 3.625 1.00 0.00 C ATOM 1197 CD1 ILE A 114 -0.141 0.151 1.969 1.00 0.00 C ATOM 0 H ILE A 114 2.259 -0.358 4.845 1.00 0.00 H new ATOM 0 HA ILE A 114 3.003 2.184 3.803 1.00 0.00 H new ATOM 0 HB ILE A 114 0.320 0.900 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.469 1.530 1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.903 0.053 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.702 2.714 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.109 3.336 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.886 3.507 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.057 -0.334 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.476 -0.594 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.917 0.906 1.840 1.00 0.00 H new ATOM 1209 N VAL A 115 1.283 2.183 6.645 1.00 0.00 N ATOM 1210 CA VAL A 115 1.026 2.949 7.859 1.00 0.00 C ATOM 1211 C VAL A 115 2.324 3.471 8.465 1.00 0.00 C ATOM 1212 O VAL A 115 2.441 4.656 8.778 1.00 0.00 O ATOM 1213 CB VAL A 115 0.286 2.101 8.911 1.00 0.00 C ATOM 1214 CG1 VAL A 115 -0.031 2.935 10.143 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.982 1.505 8.319 1.00 0.00 C ATOM 0 H VAL A 115 0.757 1.312 6.576 1.00 0.00 H new ATOM 0 HA VAL A 115 0.397 3.792 7.574 1.00 0.00 H new ATOM 0 HB VAL A 115 0.937 1.281 9.215 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.554 2.319 10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.896 3.308 10.578 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.663 3.777 9.860 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.492 0.909 9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.640 2.307 7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.724 0.871 7.471 1.00 0.00 H new ATOM 1225 N GLU A 116 3.296 2.579 8.627 1.00 0.00 N ATOM 1226 CA GLU A 116 4.586 2.952 9.196 1.00 0.00 C ATOM 1227 C GLU A 116 5.222 4.090 8.403 1.00 0.00 C ATOM 1228 O GLU A 116 5.757 5.038 8.978 1.00 0.00 O ATOM 1229 CB GLU A 116 5.526 1.744 9.218 1.00 0.00 C ATOM 1230 CG GLU A 116 5.174 0.718 10.282 1.00 0.00 C ATOM 1231 CD GLU A 116 5.778 1.048 11.633 1.00 0.00 C ATOM 1232 OE1 GLU A 116 7.021 1.125 11.723 1.00 0.00 O ATOM 1233 OE2 GLU A 116 5.009 1.228 12.600 1.00 0.00 O ATOM 0 H GLU A 116 3.215 1.595 8.373 1.00 0.00 H new ATOM 0 HA GLU A 116 4.419 3.293 10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.508 1.262 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.546 2.091 9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 116 4.090 0.657 10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.522 -0.265 9.963 1.00 0.00 H new ATOM 1240 N SER A 117 5.159 3.989 7.079 1.00 0.00 N ATOM 1241 CA SER A 117 5.732 5.008 6.207 1.00 0.00 C ATOM 1242 C SER A 117 5.056 6.357 6.431 1.00 0.00 C ATOM 1243 O SER A 117 5.713 7.399 6.433 1.00 0.00 O ATOM 1244 CB SER A 117 5.592 4.591 4.741 1.00 0.00 C ATOM 1245 OG SER A 117 6.359 3.432 4.465 1.00 0.00 O ATOM 0 H SER A 117 4.717 3.212 6.587 1.00 0.00 H new ATOM 0 HA SER A 117 6.790 5.107 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.543 4.400 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.915 5.407 4.095 1.00 0.00 H new ATOM 0 HG SER A 117 5.782 2.641 4.502 1.00 0.00 H new ATOM 1251 N ILE A 118 3.741 6.330 6.618 1.00 0.00 N ATOM 1252 CA ILE A 118 2.977 7.550 6.844 1.00 0.00 C ATOM 1253 C ILE A 118 3.297 8.156 8.206 1.00 0.00 C ATOM 1254 O ILE A 118 3.707 9.312 8.303 1.00 0.00 O ATOM 1255 CB ILE A 118 1.461 7.289 6.754 1.00 0.00 C ATOM 1256 CG1 ILE A 118 1.076 6.874 5.333 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.685 8.526 7.180 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.206 6.075 5.263 1.00 0.00 C ATOM 0 H ILE A 118 3.183 5.476 6.617 1.00 0.00 H new ATOM 0 HA ILE A 118 3.265 8.252 6.061 1.00 0.00 H new ATOM 0 HB ILE A 118 1.207 6.474 7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.971 7.768 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.886 6.284 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.384 8.326 7.111 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.941 8.780 8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.941 9.359 6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.417 5.815 4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.099 5.163 5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.028 6.670 5.662 1.00 0.00 H new ATOM 1270 N LYS A 119 3.109 7.366 9.258 1.00 0.00 N ATOM 1271 CA LYS A 119 3.381 7.821 10.616 1.00 0.00 C ATOM 1272 C LYS A 119 4.787 8.405 10.723 1.00 0.00 C ATOM 1273 O LYS A 119 5.010 9.383 11.434 1.00 0.00 O ATOM 1274 CB LYS A 119 3.221 6.665 11.605 1.00 0.00 C ATOM 1275 CG LYS A 119 1.785 6.434 12.043 1.00 0.00 C ATOM 1276 CD LYS A 119 1.696 5.373 13.127 1.00 0.00 C ATOM 1277 CE LYS A 119 0.272 4.866 13.295 1.00 0.00 C ATOM 1278 NZ LYS A 119 -0.645 5.936 13.776 1.00 0.00 N ATOM 0 H LYS A 119 2.769 6.406 9.196 1.00 0.00 H new ATOM 0 HA LYS A 119 2.662 8.603 10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.604 5.752 11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.833 6.863 12.485 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.361 7.368 12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.186 6.129 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.353 4.540 12.877 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.050 5.786 14.072 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.090 4.478 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.263 4.036 14.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.602 5.546 13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.305 6.300 14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.670 6.710 13.082 1.00 0.00 H new ATOM 1292 N ALA A 120 5.730 7.798 10.011 1.00 0.00 N ATOM 1293 CA ALA A 120 7.113 8.259 10.023 1.00 0.00 C ATOM 1294 C ALA A 120 7.273 9.535 9.203 1.00 0.00 C ATOM 1295 O ALA A 120 8.119 10.376 9.504 1.00 0.00 O ATOM 1296 CB ALA A 120 8.037 7.172 9.497 1.00 0.00 C ATOM 0 H ALA A 120 5.562 6.985 9.418 1.00 0.00 H new ATOM 0 HA ALA A 120 7.386 8.484 11.054 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.066 7.531 9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.952 6.286 10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.756 6.919 8.475 1.00 0.00 H new ATOM 1302 N GLY A 121 6.454 9.672 8.164 1.00 0.00 N ATOM 1303 CA GLY A 121 6.523 10.848 7.317 1.00 0.00 C ATOM 1304 C GLY A 121 7.473 10.667 6.150 1.00 0.00 C ATOM 1305 O GLY A 121 8.042 11.637 5.648 1.00 0.00 O ATOM 0 H GLY A 121 5.745 8.990 7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.527 11.078 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.843 11.703 7.913 1.00 0.00 H new ATOM 1309 N ARG A 122 7.647 9.423 5.718 1.00 0.00 N ATOM 1310 CA ARG A 122 8.538 9.118 4.605 1.00 0.00 C ATOM 1311 C ARG A 122 8.308 7.698 4.097 1.00 0.00 C ATOM 1312 O ARG A 122 7.654 6.889 4.757 1.00 0.00 O ATOM 1313 CB ARG A 122 9.998 9.288 5.031 1.00 0.00 C ATOM 1314 CG ARG A 122 10.465 8.247 6.035 1.00 0.00 C ATOM 1315 CD ARG A 122 11.957 7.985 5.913 1.00 0.00 C ATOM 1316 NE ARG A 122 12.304 7.386 4.627 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.511 6.911 4.339 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.481 6.966 5.242 1.00 0.00 N ATOM 1319 NH2 ARG A 122 13.750 6.380 3.147 1.00 0.00 N ATOM 0 H ARG A 122 7.183 8.609 6.122 1.00 0.00 H new ATOM 0 HA ARG A 122 8.319 9.815 3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.634 9.238 4.147 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.129 10.281 5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.236 8.586 7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.917 7.318 5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.501 8.922 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.276 7.324 6.719 1.00 0.00 H new ATOM 0 HE ARG A 122 11.580 7.329 3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.301 7.374 6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.407 6.601 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.007 6.336 2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.677 6.016 2.928 1.00 0.00 H new ATOM 1333 N LEU A 123 8.848 7.401 2.921 1.00 0.00 N ATOM 1334 CA LEU A 123 8.702 6.078 2.323 1.00 0.00 C ATOM 1335 C LEU A 123 9.749 5.114 2.871 1.00 0.00 C ATOM 1336 O LEU A 123 10.940 5.425 2.899 1.00 0.00 O ATOM 1337 CB LEU A 123 8.821 6.168 0.801 1.00 0.00 C ATOM 1338 CG LEU A 123 8.231 5.000 0.011 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.728 4.916 0.224 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.555 5.139 -1.470 1.00 0.00 C ATOM 0 H LEU A 123 9.391 8.058 2.362 1.00 0.00 H new ATOM 0 HA LEU A 123 7.714 5.697 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.333 7.086 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.876 6.258 0.544 1.00 0.00 H new ATOM 0 HG LEU A 123 8.681 4.077 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.326 4.079 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.518 4.768 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.261 5.842 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.127 4.299 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.134 6.070 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.636 5.148 -1.607 1.00 0.00 H new ATOM 1352 N LEU A 124 9.298 3.942 3.303 1.00 0.00 N ATOM 1353 CA LEU A 124 10.196 2.930 3.848 1.00 0.00 C ATOM 1354 C LEU A 124 10.339 1.754 2.887 1.00 0.00 C ATOM 1355 O LEU A 124 9.745 1.745 1.809 1.00 0.00 O ATOM 1356 CB LEU A 124 9.680 2.437 5.201 1.00 0.00 C ATOM 1357 CG LEU A 124 9.373 3.519 6.237 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.353 3.017 7.247 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.648 3.963 6.939 1.00 0.00 C ATOM 0 H LEU A 124 8.315 3.669 3.287 1.00 0.00 H new ATOM 0 HA LEU A 124 11.177 3.386 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.773 1.856 5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.420 1.757 5.624 1.00 0.00 H new ATOM 0 HG LEU A 124 8.949 4.380 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.147 3.801 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.431 2.750 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.749 2.140 7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.410 4.733 7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.102 3.110 7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.347 4.365 6.205 1.00 0.00 H new ATOM 1371 N SER A 125 11.130 0.763 3.286 1.00 0.00 N ATOM 1372 CA SER A 125 11.353 -0.417 2.459 1.00 0.00 C ATOM 1373 C SER A 125 10.284 -1.474 2.722 1.00 0.00 C ATOM 1374 O SER A 125 9.551 -1.399 3.708 1.00 0.00 O ATOM 1375 CB SER A 125 12.741 -1.001 2.730 1.00 0.00 C ATOM 1376 OG SER A 125 13.758 -0.156 2.220 1.00 0.00 O ATOM 0 H SER A 125 11.627 0.754 4.177 1.00 0.00 H new ATOM 0 HA SER A 125 11.292 -0.115 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.879 -1.135 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.820 -1.987 2.273 1.00 0.00 H new ATOM 0 HG SER A 125 14.635 -0.550 2.407 1.00 0.00 H new ATOM 1382 N TYR A 126 10.203 -2.457 1.833 1.00 0.00 N ATOM 1383 CA TYR A 126 9.223 -3.528 1.966 1.00 0.00 C ATOM 1384 C TYR A 126 9.911 -4.873 2.179 1.00 0.00 C ATOM 1385 O TYR A 126 9.271 -5.860 2.543 1.00 0.00 O ATOM 1386 CB TYR A 126 8.332 -3.590 0.724 1.00 0.00 C ATOM 1387 CG TYR A 126 9.096 -3.833 -0.558 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.399 -5.123 -0.975 1.00 0.00 C ATOM 1389 CD2 TYR A 126 9.515 -2.773 -1.352 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.098 -5.350 -2.145 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.212 -2.990 -2.524 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.502 -4.281 -2.916 1.00 0.00 C ATOM 1393 OH TYR A 126 11.197 -4.502 -4.083 1.00 0.00 O ATOM 0 H TYR A 126 10.804 -2.535 1.013 1.00 0.00 H new ATOM 0 HA TYR A 126 8.605 -3.314 2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.596 -4.383 0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 126 7.780 -2.654 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.083 -5.963 -0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 126 9.292 -1.761 -1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.327 -6.359 -2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 126 10.528 -2.154 -3.130 1.00 0.00 H new ATOM 0 HH TYR A 126 11.406 -3.643 -4.507 1.00 0.00 H new ATOM 1403 N ILE A 127 11.220 -4.903 1.950 1.00 0.00 N ATOM 1404 CA ILE A 127 11.996 -6.125 2.118 1.00 0.00 C ATOM 1405 C ILE A 127 11.588 -6.865 3.387 1.00 0.00 C ATOM 1406 O ILE A 127 11.173 -8.024 3.354 1.00 0.00 O ATOM 1407 CB ILE A 127 13.506 -5.829 2.173 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.111 -5.887 0.768 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.206 -6.815 3.097 1.00 0.00 C ATOM 1410 CD1 ILE A 127 13.942 -7.229 0.092 1.00 0.00 C ATOM 0 H ILE A 127 11.765 -4.095 1.648 1.00 0.00 H new ATOM 0 HA ILE A 127 11.788 -6.753 1.252 1.00 0.00 H new ATOM 0 HB ILE A 127 13.650 -4.824 2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.648 -5.117 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.173 -5.651 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.273 -6.593 3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.791 -6.730 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 127 14.056 -7.829 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.394 -7.197 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.429 -8.001 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.880 -7.458 -0.001 1.00 0.00 H new ATOM 1422 N PRO A 128 11.706 -6.181 4.535 1.00 0.00 N ATOM 1423 CA PRO A 128 11.352 -6.753 5.837 1.00 0.00 C ATOM 1424 C PRO A 128 9.848 -6.950 5.995 1.00 0.00 C ATOM 1425 O PRO A 128 9.399 -7.728 6.837 1.00 0.00 O ATOM 1426 CB PRO A 128 11.862 -5.709 6.834 1.00 0.00 C ATOM 1427 CG PRO A 128 11.869 -4.430 6.071 1.00 0.00 C ATOM 1428 CD PRO A 128 12.193 -4.796 4.649 1.00 0.00 C ATOM 0 HA PRO A 128 11.784 -7.744 5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.213 -5.645 7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 128 12.859 -5.960 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 128 10.901 -3.933 6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 128 12.610 -3.739 6.474 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.694 -4.135 3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.263 -4.728 4.450 1.00 0.00 H new ATOM 1436 N TYR A 129 9.075 -6.241 5.180 1.00 0.00 N ATOM 1437 CA TYR A 129 7.621 -6.336 5.231 1.00 0.00 C ATOM 1438 C TYR A 129 7.100 -7.289 4.159 1.00 0.00 C ATOM 1439 O TYR A 129 5.893 -7.481 4.019 1.00 0.00 O ATOM 1440 CB TYR A 129 6.992 -4.954 5.050 1.00 0.00 C ATOM 1441 CG TYR A 129 7.188 -4.039 6.238 1.00 0.00 C ATOM 1442 CD1 TYR A 129 6.457 -4.219 7.406 1.00 0.00 C ATOM 1443 CD2 TYR A 129 8.104 -2.996 6.192 1.00 0.00 C ATOM 1444 CE1 TYR A 129 6.633 -3.385 8.493 1.00 0.00 C ATOM 1445 CE2 TYR A 129 8.288 -2.158 7.275 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.549 -2.357 8.423 1.00 0.00 C ATOM 1447 OH TYR A 129 7.728 -1.525 9.505 1.00 0.00 O ATOM 0 H TYR A 129 9.431 -5.594 4.476 1.00 0.00 H new ATOM 0 HA TYR A 129 7.342 -6.729 6.208 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.419 -4.483 4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.924 -5.071 4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.740 -5.024 7.465 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.683 -2.837 5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 129 6.056 -3.537 9.393 1.00 0.00 H new ATOM 0 HE2 TYR A 129 9.006 -1.353 7.223 1.00 0.00 H new ATOM 0 HH TYR A 129 8.410 -0.854 9.292 1.00 0.00 H new ATOM 1457 N GLN A 130 8.020 -7.882 3.405 1.00 0.00 N ATOM 1458 CA GLN A 130 7.655 -8.814 2.346 1.00 0.00 C ATOM 1459 C GLN A 130 7.010 -10.070 2.924 1.00 0.00 C ATOM 1460 O GLN A 130 7.382 -10.530 4.004 1.00 0.00 O ATOM 1461 CB GLN A 130 8.887 -9.193 1.522 1.00 0.00 C ATOM 1462 CG GLN A 130 8.574 -9.515 0.070 1.00 0.00 C ATOM 1463 CD GLN A 130 9.770 -10.071 -0.676 1.00 0.00 C ATOM 1464 OE1 GLN A 130 9.643 -11.003 -1.470 1.00 0.00 O ATOM 1465 NE2 GLN A 130 10.943 -9.500 -0.424 1.00 0.00 N ATOM 0 H GLN A 130 9.024 -7.733 3.508 1.00 0.00 H new ATOM 0 HA GLN A 130 6.931 -8.321 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.603 -8.372 1.557 1.00 0.00 H new ATOM 0 HB3 GLN A 130 9.369 -10.056 1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.758 -10.237 0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.226 -8.612 -0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 130 11.003 -8.730 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 130 11.784 -9.832 -0.897 1.00 0.00 H new ATOM 1474 N LEU A 131 6.042 -10.619 2.199 1.00 0.00 N ATOM 1475 CA LEU A 131 5.344 -11.822 2.640 1.00 0.00 C ATOM 1476 C LEU A 131 5.562 -12.968 1.658 1.00 0.00 C ATOM 1477 O LEU A 131 5.831 -12.745 0.477 1.00 0.00 O ATOM 1478 CB LEU A 131 3.848 -11.541 2.790 1.00 0.00 C ATOM 1479 CG LEU A 131 3.418 -10.872 4.097 1.00 0.00 C ATOM 1480 CD1 LEU A 131 1.947 -10.492 4.043 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.692 -11.789 5.280 1.00 0.00 C ATOM 0 H LEU A 131 5.722 -10.251 1.303 1.00 0.00 H new ATOM 0 HA LEU A 131 5.751 -12.115 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.533 -10.908 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.310 -12.484 2.694 1.00 0.00 H new ATOM 0 HG LEU A 131 4.002 -9.961 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.659 -10.018 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.781 -9.798 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.345 -11.388 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.380 -11.297 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.134 -12.717 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.758 -12.010 5.330 1.00 0.00 H new ATOM 1493 N TYR A 132 5.442 -14.195 2.153 1.00 0.00 N ATOM 1494 CA TYR A 132 5.625 -15.377 1.319 1.00 0.00 C ATOM 1495 C TYR A 132 6.748 -15.162 0.309 1.00 0.00 C ATOM 1496 O TYR A 132 6.615 -15.501 -0.868 1.00 0.00 O ATOM 1497 CB TYR A 132 4.326 -15.719 0.589 1.00 0.00 C ATOM 1498 CG TYR A 132 3.166 -16.002 1.517 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.024 -17.244 2.124 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.213 -15.029 1.787 1.00 0.00 C ATOM 1501 CE1 TYR A 132 1.966 -17.508 2.972 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.152 -15.283 2.635 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.033 -16.524 3.225 1.00 0.00 C ATOM 1504 OH TYR A 132 -0.023 -16.781 4.069 1.00 0.00 O ATOM 0 H TYR A 132 5.219 -14.397 3.128 1.00 0.00 H new ATOM 0 HA TYR A 132 5.898 -16.209 1.968 1.00 0.00 H new ATOM 0 HB2 TYR A 132 4.060 -14.892 -0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.494 -16.590 -0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 132 3.753 -18.016 1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.303 -14.056 1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.870 -18.479 3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.420 -14.514 2.835 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.767 -17.161 3.556 1.00 0.00 H new