USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 866 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 36 THR OG1 : rot 48:sc= 2.08 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -115:sc= 1.01 (180deg=-2.67!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 CYS SG : rot -170:sc= -1.54 USER MOD Single : A 12 HIS : no HE2:sc= 0.933 K(o=0.93,f=-6.1!) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.000319 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 20 GLN :FLIP amide:sc= -1.5 F(o=-2.6!,f=-1.5) USER MOD Single : A 22 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.62) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.7!) USER MOD Single : A 27 SER OG : rot 89:sc= 0.884 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0532 USER MOD Single : A 38 SER OG : rot 75:sc= 1.22 USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= -0.017 (180deg=-0.159) USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= 0.909 (180deg=0.687) USER MOD Single : A 59 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.51) USER MOD Single : A 67 THR OG1 : rot 163:sc= 0.865 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.00917 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -134:sc= -0.222 (180deg=-1.43) USER MOD Single : A 84 THR OG1 : rot -150:sc=-0.00528 USER MOD Single : A 86 MET CE :methyl -159:sc= -0.619 (180deg=-1.48) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -1.16 F(o=-1.8,f=-1.2) USER MOD Single : A 107 SER OG : rot 66:sc= 1.24 USER MOD Single : A 108 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 111 LYS NZ :NH3+ 170:sc=-0.00641 (180deg=-0.119) USER MOD Single : A 112 HIS : no HD1:sc= -3.04 K(o=-3,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.589 0.261 -12.359 1.00 0.00 N ATOM 70 CA GLY A 6 -3.968 -0.929 -12.915 1.00 0.00 C ATOM 71 C GLY A 6 -2.469 -0.865 -12.767 1.00 0.00 C ATOM 72 O GLY A 6 -1.728 -1.610 -13.404 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.351 -1.815 -12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.231 -1.024 -13.969 1.00 0.00 H new ATOM 76 N GLN A 7 -2.038 0.040 -11.930 1.00 0.00 N ATOM 77 CA GLN A 7 -0.660 0.274 -11.657 1.00 0.00 C ATOM 78 C GLN A 7 -0.461 0.658 -10.231 1.00 0.00 C ATOM 79 O GLN A 7 -1.333 1.254 -9.598 1.00 0.00 O ATOM 80 CB GLN A 7 -0.041 1.298 -12.624 1.00 0.00 C ATOM 81 CG GLN A 7 -0.903 2.530 -12.901 1.00 0.00 C ATOM 82 CD GLN A 7 -0.233 3.515 -13.845 1.00 0.00 C ATOM 83 OE1 GLN A 7 -0.353 3.408 -15.063 1.00 0.00 O ATOM 84 NE2 GLN A 7 0.406 4.502 -13.305 1.00 0.00 N ATOM 0 H GLN A 7 -2.664 0.651 -11.406 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.128 -0.662 -11.826 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.915 1.627 -12.218 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.169 0.800 -13.571 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.855 2.214 -13.328 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.127 3.031 -11.959 1.00 0.00 H new ATOM 0 HE21 GLN A 7 0.488 4.562 -12.290 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.828 5.220 -13.894 1.00 0.00 H new ATOM 93 N VAL A 8 0.663 0.281 -9.734 1.00 0.00 N ATOM 94 CA VAL A 8 1.051 0.503 -8.365 1.00 0.00 C ATOM 95 C VAL A 8 2.265 1.407 -8.370 1.00 0.00 C ATOM 96 O VAL A 8 3.104 1.289 -9.265 1.00 0.00 O ATOM 97 CB VAL A 8 1.420 -0.848 -7.677 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.809 -0.645 -6.234 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.276 -1.849 -7.776 1.00 0.00 C ATOM 0 H VAL A 8 1.371 -0.209 -10.280 1.00 0.00 H new ATOM 0 HA VAL A 8 0.226 0.956 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 8 2.281 -1.253 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.060 -1.607 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.673 0.017 -6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.976 -0.198 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.564 -2.780 -7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.608 -1.441 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.053 -2.044 -8.825 1.00 0.00 H new ATOM 109 N ILE A 9 2.357 2.325 -7.438 1.00 0.00 N ATOM 110 CA ILE A 9 3.510 3.173 -7.380 1.00 0.00 C ATOM 111 C ILE A 9 4.566 2.484 -6.537 1.00 0.00 C ATOM 112 O ILE A 9 4.385 2.291 -5.326 1.00 0.00 O ATOM 113 CB ILE A 9 3.219 4.590 -6.784 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.174 5.371 -7.605 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.503 5.406 -6.679 1.00 0.00 C ATOM 116 CD1 ILE A 9 0.735 4.901 -7.456 1.00 0.00 C ATOM 0 H ILE A 9 1.654 2.498 -6.720 1.00 0.00 H new ATOM 0 HA ILE A 9 3.847 3.334 -8.404 1.00 0.00 H new ATOM 0 HB ILE A 9 2.806 4.430 -5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.225 6.422 -7.319 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.449 5.313 -8.658 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.277 6.388 -6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.210 4.890 -6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.941 5.525 -7.670 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.085 5.518 -8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.657 3.861 -7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.430 4.987 -6.413 1.00 0.00 H new ATOM 128 N ALA A 10 5.639 2.100 -7.154 1.00 0.00 N ATOM 129 CA ALA A 10 6.702 1.443 -6.448 1.00 0.00 C ATOM 130 C ALA A 10 7.716 2.465 -5.993 1.00 0.00 C ATOM 131 O ALA A 10 8.437 3.044 -6.811 1.00 0.00 O ATOM 132 CB ALA A 10 7.348 0.385 -7.323 1.00 0.00 C ATOM 0 H ALA A 10 5.806 2.230 -8.152 1.00 0.00 H new ATOM 0 HA ALA A 10 6.294 0.942 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.152 -0.103 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.602 -0.357 -7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.755 0.853 -8.219 1.00 0.00 H new ATOM 138 N CYS A 11 7.763 2.713 -4.715 1.00 0.00 N ATOM 139 CA CYS A 11 8.661 3.670 -4.190 1.00 0.00 C ATOM 140 C CYS A 11 9.939 2.982 -3.802 1.00 0.00 C ATOM 141 O CYS A 11 9.945 2.064 -2.978 1.00 0.00 O ATOM 142 CB CYS A 11 8.061 4.331 -2.980 1.00 0.00 C ATOM 143 SG CYS A 11 6.391 4.983 -3.241 1.00 0.00 S ATOM 0 H CYS A 11 7.177 2.252 -4.019 1.00 0.00 H new ATOM 0 HA CYS A 11 8.862 4.430 -4.945 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.034 3.611 -2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.712 5.146 -2.665 1.00 0.00 H new ATOM 0 HG CYS A 11 6.045 5.710 -2.221 1.00 0.00 H new ATOM 149 N HIS A 12 11.005 3.391 -4.409 1.00 0.00 N ATOM 150 CA HIS A 12 12.309 2.849 -4.106 1.00 0.00 C ATOM 151 C HIS A 12 13.162 3.952 -3.549 1.00 0.00 C ATOM 152 O HIS A 12 14.368 3.803 -3.366 1.00 0.00 O ATOM 153 CB HIS A 12 12.969 2.271 -5.365 1.00 0.00 C ATOM 154 CG HIS A 12 12.199 1.149 -6.005 1.00 0.00 C ATOM 155 ND1 HIS A 12 12.467 -0.180 -5.792 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.162 1.177 -6.867 1.00 0.00 C ATOM 157 CE1 HIS A 12 11.635 -0.915 -6.489 1.00 0.00 C ATOM 158 NE2 HIS A 12 10.830 -0.115 -7.151 1.00 0.00 N ATOM 0 H HIS A 12 11.007 4.111 -5.132 1.00 0.00 H new ATOM 0 HA HIS A 12 12.204 2.042 -3.381 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.097 3.071 -6.094 1.00 0.00 H new ATOM 0 HB3 HIS A 12 13.965 1.912 -5.107 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.202 -0.541 -5.184 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.682 2.061 -7.260 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.615 -1.995 -6.515 1.00 0.00 H new ATOM 167 N THR A 13 12.521 5.066 -3.248 1.00 0.00 N ATOM 168 CA THR A 13 13.226 6.224 -2.783 1.00 0.00 C ATOM 169 C THR A 13 12.353 6.913 -1.749 1.00 0.00 C ATOM 170 O THR A 13 11.116 6.816 -1.808 1.00 0.00 O ATOM 171 CB THR A 13 13.444 7.216 -3.926 1.00 0.00 C ATOM 172 OG1 THR A 13 13.711 6.515 -5.159 1.00 0.00 O ATOM 173 CG2 THR A 13 14.634 8.094 -3.636 1.00 0.00 C ATOM 0 H THR A 13 11.510 5.184 -3.321 1.00 0.00 H new ATOM 0 HA THR A 13 14.189 5.917 -2.375 1.00 0.00 H new ATOM 0 HB THR A 13 12.539 7.816 -4.019 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.847 7.163 -5.881 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.778 8.795 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.462 8.647 -2.713 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.525 7.475 -3.527 1.00 0.00 H new ATOM 181 N VAL A 14 12.970 7.616 -0.837 1.00 0.00 N ATOM 182 CA VAL A 14 12.237 8.305 0.214 1.00 0.00 C ATOM 183 C VAL A 14 11.588 9.575 -0.353 1.00 0.00 C ATOM 184 O VAL A 14 10.571 10.055 0.161 1.00 0.00 O ATOM 185 CB VAL A 14 13.127 8.620 1.467 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.250 9.584 1.143 1.00 0.00 C ATOM 187 CG2 VAL A 14 12.287 9.126 2.640 1.00 0.00 C ATOM 0 H VAL A 14 13.982 7.732 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 14 11.454 7.635 0.568 1.00 0.00 H new ATOM 0 HB VAL A 14 13.588 7.679 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.839 9.772 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.890 9.152 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.831 10.523 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.937 9.334 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.768 10.039 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.557 8.366 2.919 1.00 0.00 H new ATOM 197 N GLU A 15 12.175 10.089 -1.448 1.00 0.00 N ATOM 198 CA GLU A 15 11.628 11.246 -2.151 1.00 0.00 C ATOM 199 C GLU A 15 10.204 10.941 -2.586 1.00 0.00 C ATOM 200 O GLU A 15 9.275 11.679 -2.264 1.00 0.00 O ATOM 201 CB GLU A 15 12.454 11.531 -3.407 1.00 0.00 C ATOM 202 CG GLU A 15 11.941 12.710 -4.220 1.00 0.00 C ATOM 203 CD GLU A 15 12.632 12.842 -5.548 1.00 0.00 C ATOM 204 OE1 GLU A 15 13.719 13.447 -5.610 1.00 0.00 O ATOM 205 OE2 GLU A 15 12.110 12.331 -6.540 1.00 0.00 O ATOM 0 H GLU A 15 13.030 9.715 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 15 11.652 12.107 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.487 11.723 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.460 10.642 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.869 12.595 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.081 13.628 -3.649 1.00 0.00 H new ATOM 212 N THR A 16 10.054 9.812 -3.273 1.00 0.00 N ATOM 213 CA THR A 16 8.784 9.366 -3.794 1.00 0.00 C ATOM 214 C THR A 16 7.832 9.049 -2.653 1.00 0.00 C ATOM 215 O THR A 16 6.663 9.400 -2.703 1.00 0.00 O ATOM 216 CB THR A 16 8.999 8.115 -4.658 1.00 0.00 C ATOM 217 OG1 THR A 16 10.037 8.397 -5.610 1.00 0.00 O ATOM 218 CG2 THR A 16 7.727 7.738 -5.407 1.00 0.00 C ATOM 0 H THR A 16 10.827 9.179 -3.481 1.00 0.00 H new ATOM 0 HA THR A 16 8.348 10.158 -4.403 1.00 0.00 H new ATOM 0 HB THR A 16 9.274 7.281 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.190 7.608 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.910 6.849 -6.010 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.930 7.534 -4.692 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.429 8.562 -6.056 1.00 0.00 H new ATOM 226 N TRP A 17 8.365 8.412 -1.620 1.00 0.00 N ATOM 227 CA TRP A 17 7.605 8.061 -0.435 1.00 0.00 C ATOM 228 C TRP A 17 6.896 9.284 0.160 1.00 0.00 C ATOM 229 O TRP A 17 5.673 9.280 0.333 1.00 0.00 O ATOM 230 CB TRP A 17 8.538 7.399 0.591 1.00 0.00 C ATOM 231 CG TRP A 17 7.923 7.155 1.931 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.355 7.659 3.117 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.755 6.390 2.219 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.548 7.230 4.132 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.551 6.452 3.610 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.869 5.652 1.442 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.495 5.803 4.236 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.823 5.015 2.061 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.641 5.092 3.447 1.00 0.00 C ATOM 0 H TRP A 17 9.343 8.124 -1.583 1.00 0.00 H new ATOM 0 HA TRP A 17 6.826 7.352 -0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.883 6.447 0.186 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.418 8.029 0.720 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.212 8.305 3.239 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.669 7.454 5.120 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.001 5.582 0.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.356 5.859 5.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.126 4.443 1.467 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.807 4.577 3.900 1.00 0.00 H new ATOM 250 N ASN A 18 7.653 10.329 0.430 1.00 0.00 N ATOM 251 CA ASN A 18 7.080 11.539 1.006 1.00 0.00 C ATOM 252 C ASN A 18 6.170 12.231 -0.002 1.00 0.00 C ATOM 253 O ASN A 18 5.050 12.641 0.331 1.00 0.00 O ATOM 254 CB ASN A 18 8.173 12.512 1.445 1.00 0.00 C ATOM 255 CG ASN A 18 7.606 13.758 2.128 1.00 0.00 C ATOM 256 OD1 ASN A 18 6.575 13.705 2.795 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.255 14.870 1.954 1.00 0.00 N ATOM 0 H ASN A 18 8.658 10.370 0.263 1.00 0.00 H new ATOM 0 HA ASN A 18 6.499 11.243 1.880 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.854 12.005 2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.759 12.812 0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.912 15.732 2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.108 14.881 1.395 1.00 0.00 H new ATOM 264 N GLU A 19 6.649 12.327 -1.232 1.00 0.00 N ATOM 265 CA GLU A 19 5.945 13.012 -2.313 1.00 0.00 C ATOM 266 C GLU A 19 4.560 12.417 -2.578 1.00 0.00 C ATOM 267 O GLU A 19 3.581 13.158 -2.690 1.00 0.00 O ATOM 268 CB GLU A 19 6.798 13.012 -3.584 1.00 0.00 C ATOM 269 CG GLU A 19 6.169 13.706 -4.773 1.00 0.00 C ATOM 270 CD GLU A 19 7.095 13.754 -5.956 1.00 0.00 C ATOM 271 OE1 GLU A 19 7.100 12.800 -6.769 1.00 0.00 O ATOM 272 OE2 GLU A 19 7.827 14.752 -6.095 1.00 0.00 O ATOM 0 H GLU A 19 7.545 11.929 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 19 5.784 14.042 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.752 13.492 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.016 11.980 -3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.252 13.187 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.887 14.721 -4.492 1.00 0.00 H new ATOM 279 N GLN A 20 4.478 11.099 -2.653 1.00 0.00 N ATOM 280 CA GLN A 20 3.244 10.426 -2.898 1.00 0.00 C ATOM 281 C GLN A 20 2.252 10.605 -1.779 1.00 0.00 C ATOM 282 O GLN A 20 1.065 10.783 -2.030 1.00 0.00 O ATOM 283 CB GLN A 20 3.489 8.980 -3.174 1.00 0.00 C ATOM 284 CG GLN A 20 4.125 8.704 -4.522 1.00 0.00 C ATOM 285 CD GLN A 20 3.250 9.168 -5.671 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.383 8.304 -6.132 1.00 0.00 O flip ATOM 287 NE2 GLN A 20 3.350 10.297 -6.131 1.00 0.00 N flip ATOM 0 H GLN A 20 5.278 10.476 -2.543 1.00 0.00 H new ATOM 0 HA GLN A 20 2.796 10.883 -3.780 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.132 8.576 -2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.541 8.445 -3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.091 9.206 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.316 7.635 -4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.038 10.945 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.746 10.590 -6.899 1.00 0.00 H new ATOM 296 N LEU A 21 2.727 10.580 -0.547 1.00 0.00 N ATOM 297 CA LEU A 21 1.887 10.778 0.571 1.00 0.00 C ATOM 298 C LEU A 21 1.398 12.197 0.627 1.00 0.00 C ATOM 299 O LEU A 21 0.237 12.445 0.922 1.00 0.00 O ATOM 300 CB LEU A 21 2.625 10.432 1.814 1.00 0.00 C ATOM 301 CG LEU A 21 2.965 8.963 2.053 1.00 0.00 C ATOM 302 CD1 LEU A 21 3.709 8.814 3.362 1.00 0.00 C ATOM 303 CD2 LEU A 21 1.706 8.100 2.056 1.00 0.00 C ATOM 0 H LEU A 21 3.708 10.420 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 21 1.017 10.128 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.557 10.997 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.036 10.782 2.662 1.00 0.00 H new ATOM 0 HG LEU A 21 3.603 8.621 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.949 7.764 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.631 9.395 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.084 9.176 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.979 7.059 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.037 8.436 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.202 8.188 1.094 1.00 0.00 H new ATOM 315 N GLN A 22 2.289 13.122 0.334 1.00 0.00 N ATOM 316 CA GLN A 22 1.951 14.525 0.288 1.00 0.00 C ATOM 317 C GLN A 22 0.852 14.735 -0.756 1.00 0.00 C ATOM 318 O GLN A 22 -0.162 15.382 -0.495 1.00 0.00 O ATOM 319 CB GLN A 22 3.196 15.358 -0.061 1.00 0.00 C ATOM 320 CG GLN A 22 2.960 16.856 -0.069 1.00 0.00 C ATOM 321 CD GLN A 22 2.555 17.391 1.287 1.00 0.00 C ATOM 322 OE1 GLN A 22 2.956 16.865 2.330 1.00 0.00 O ATOM 323 NE2 GLN A 22 1.760 18.421 1.291 1.00 0.00 N ATOM 0 H GLN A 22 3.266 12.920 0.122 1.00 0.00 H new ATOM 0 HA GLN A 22 1.589 14.851 1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.985 15.130 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.560 15.054 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.868 17.361 -0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.183 17.093 -0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.449 18.829 0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.447 18.821 2.176 1.00 0.00 H new ATOM 332 N LYS A 23 1.057 14.128 -1.916 1.00 0.00 N ATOM 333 CA LYS A 23 0.115 14.177 -3.014 1.00 0.00 C ATOM 334 C LYS A 23 -1.233 13.563 -2.624 1.00 0.00 C ATOM 335 O LYS A 23 -2.288 14.150 -2.894 1.00 0.00 O ATOM 336 CB LYS A 23 0.702 13.453 -4.234 1.00 0.00 C ATOM 337 CG LYS A 23 -0.231 13.373 -5.427 1.00 0.00 C ATOM 338 CD LYS A 23 0.423 12.658 -6.596 1.00 0.00 C ATOM 339 CE LYS A 23 -0.551 12.498 -7.740 1.00 0.00 C ATOM 340 NZ LYS A 23 0.062 11.850 -8.912 1.00 0.00 N ATOM 0 H LYS A 23 1.894 13.582 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.062 15.223 -3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.617 13.962 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.983 12.442 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.143 12.849 -5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.522 14.378 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.295 13.221 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.779 11.679 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.405 11.908 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.933 13.477 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.645 11.763 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.861 12.425 -9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.404 10.904 -8.647 1.00 0.00 H new ATOM 354 N ALA A 24 -1.200 12.402 -1.969 1.00 0.00 N ATOM 355 CA ALA A 24 -2.419 11.710 -1.574 1.00 0.00 C ATOM 356 C ALA A 24 -3.180 12.497 -0.520 1.00 0.00 C ATOM 357 O ALA A 24 -4.412 12.476 -0.486 1.00 0.00 O ATOM 358 CB ALA A 24 -2.097 10.316 -1.059 1.00 0.00 C ATOM 0 H ALA A 24 -0.339 11.924 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.054 11.622 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.020 9.813 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.603 9.743 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.437 10.391 -0.195 1.00 0.00 H new ATOM 364 N ASN A 25 -2.438 13.200 0.316 1.00 0.00 N ATOM 365 CA ASN A 25 -3.009 13.983 1.404 1.00 0.00 C ATOM 366 C ASN A 25 -3.727 15.186 0.834 1.00 0.00 C ATOM 367 O ASN A 25 -4.921 15.392 1.070 1.00 0.00 O ATOM 368 CB ASN A 25 -1.879 14.488 2.299 1.00 0.00 C ATOM 369 CG ASN A 25 -2.350 15.031 3.646 1.00 0.00 C ATOM 370 OD1 ASN A 25 -3.472 15.524 3.790 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.486 14.961 4.634 1.00 0.00 N ATOM 0 H ASN A 25 -1.420 13.246 0.262 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.702 13.362 1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.175 13.674 2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.335 15.272 1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.735 15.321 5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.567 14.547 4.479 1.00 0.00 H new ATOM 378 N GLU A 26 -3.002 15.951 0.039 1.00 0.00 N ATOM 379 CA GLU A 26 -3.526 17.190 -0.552 1.00 0.00 C ATOM 380 C GLU A 26 -4.701 16.927 -1.485 1.00 0.00 C ATOM 381 O GLU A 26 -5.646 17.714 -1.545 1.00 0.00 O ATOM 382 CB GLU A 26 -2.439 17.954 -1.305 1.00 0.00 C ATOM 383 CG GLU A 26 -1.256 18.356 -0.449 1.00 0.00 C ATOM 384 CD GLU A 26 -0.229 19.138 -1.223 1.00 0.00 C ATOM 385 OE1 GLU A 26 0.494 18.553 -2.029 1.00 0.00 O ATOM 386 OE2 GLU A 26 -0.137 20.368 -1.035 1.00 0.00 O ATOM 0 H GLU A 26 -2.038 15.742 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.877 17.800 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.083 17.338 -2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.878 18.851 -1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.606 18.954 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.791 17.462 -0.033 1.00 0.00 H new ATOM 393 N SER A 27 -4.654 15.823 -2.191 1.00 0.00 N ATOM 394 CA SER A 27 -5.684 15.503 -3.142 1.00 0.00 C ATOM 395 C SER A 27 -6.851 14.751 -2.486 1.00 0.00 C ATOM 396 O SER A 27 -7.910 14.584 -3.101 1.00 0.00 O ATOM 397 CB SER A 27 -5.080 14.666 -4.251 1.00 0.00 C ATOM 398 OG SER A 27 -3.936 15.318 -4.807 1.00 0.00 O ATOM 0 H SER A 27 -3.909 15.130 -2.122 1.00 0.00 H new ATOM 0 HA SER A 27 -6.086 16.432 -3.546 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.795 13.688 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.822 14.495 -5.030 1.00 0.00 H new ATOM 0 HG SER A 27 -3.136 15.062 -4.302 1.00 0.00 H new ATOM 404 N LYS A 28 -6.651 14.327 -1.228 1.00 0.00 N ATOM 405 CA LYS A 28 -7.630 13.523 -0.486 1.00 0.00 C ATOM 406 C LYS A 28 -7.966 12.259 -1.251 1.00 0.00 C ATOM 407 O LYS A 28 -9.135 11.932 -1.494 1.00 0.00 O ATOM 408 CB LYS A 28 -8.887 14.302 -0.133 1.00 0.00 C ATOM 409 CG LYS A 28 -8.649 15.492 0.781 1.00 0.00 C ATOM 410 CD LYS A 28 -9.946 16.218 1.149 1.00 0.00 C ATOM 411 CE LYS A 28 -10.885 15.341 1.977 1.00 0.00 C ATOM 412 NZ LYS A 28 -12.143 16.045 2.337 1.00 0.00 N ATOM 0 H LYS A 28 -5.804 14.533 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.165 13.248 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.353 14.653 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.596 13.627 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.155 15.153 1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.971 16.192 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.708 17.122 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.455 16.533 0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.125 14.438 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.375 15.025 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.747 15.411 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.919 16.893 2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.645 16.324 1.470 1.00 0.00 H new ATOM 426 N THR A 29 -6.941 11.568 -1.637 1.00 0.00 N ATOM 427 CA THR A 29 -7.090 10.364 -2.362 1.00 0.00 C ATOM 428 C THR A 29 -6.922 9.206 -1.399 1.00 0.00 C ATOM 429 O THR A 29 -6.132 9.278 -0.443 1.00 0.00 O ATOM 430 CB THR A 29 -6.023 10.247 -3.455 1.00 0.00 C ATOM 431 OG1 THR A 29 -5.926 11.488 -4.166 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.394 9.163 -4.455 1.00 0.00 C ATOM 0 H THR A 29 -5.973 11.832 -1.453 1.00 0.00 H new ATOM 0 HA THR A 29 -8.074 10.352 -2.831 1.00 0.00 H new ATOM 0 HB THR A 29 -5.075 9.998 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.242 11.413 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.623 9.097 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.477 8.206 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.349 9.408 -4.920 1.00 0.00 H new ATOM 440 N LEU A 30 -7.666 8.186 -1.619 1.00 0.00 N ATOM 441 CA LEU A 30 -7.591 6.994 -0.832 1.00 0.00 C ATOM 442 C LEU A 30 -6.275 6.299 -1.199 1.00 0.00 C ATOM 443 O LEU A 30 -6.018 6.034 -2.375 1.00 0.00 O ATOM 444 CB LEU A 30 -8.828 6.105 -1.124 1.00 0.00 C ATOM 445 CG LEU A 30 -8.946 4.754 -0.390 1.00 0.00 C ATOM 446 CD1 LEU A 30 -8.920 4.949 1.096 1.00 0.00 C ATOM 447 CD2 LEU A 30 -10.235 4.048 -0.780 1.00 0.00 C ATOM 0 H LEU A 30 -8.361 8.147 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.600 7.205 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.719 6.688 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.848 5.904 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.093 4.141 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.005 3.982 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.982 5.424 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.754 5.584 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.302 3.096 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.087 4.672 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.241 3.869 -1.855 1.00 0.00 H new ATOM 459 N VAL A 31 -5.437 6.065 -0.220 1.00 0.00 N ATOM 460 CA VAL A 31 -4.127 5.527 -0.472 1.00 0.00 C ATOM 461 C VAL A 31 -3.855 4.271 0.364 1.00 0.00 C ATOM 462 O VAL A 31 -4.144 4.225 1.569 1.00 0.00 O ATOM 463 CB VAL A 31 -3.028 6.620 -0.248 1.00 0.00 C ATOM 464 CG1 VAL A 31 -3.047 7.164 1.171 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.643 6.114 -0.612 1.00 0.00 C ATOM 0 H VAL A 31 -5.642 6.240 0.764 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.089 5.221 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.270 7.443 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.269 7.919 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.019 7.612 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.867 6.351 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.911 6.903 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.397 5.251 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.626 5.824 -1.663 1.00 0.00 H new ATOM 475 N VAL A 32 -3.328 3.261 -0.285 1.00 0.00 N ATOM 476 CA VAL A 32 -2.979 2.025 0.356 1.00 0.00 C ATOM 477 C VAL A 32 -1.506 1.746 0.116 1.00 0.00 C ATOM 478 O VAL A 32 -1.063 1.617 -1.033 1.00 0.00 O ATOM 479 CB VAL A 32 -3.813 0.845 -0.175 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.440 -0.448 0.543 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.306 1.120 -0.052 1.00 0.00 C ATOM 0 H VAL A 32 -3.129 3.279 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.187 2.125 1.421 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.584 0.728 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.042 -1.268 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.384 -0.663 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.627 -0.338 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.866 0.267 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.561 1.280 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.561 2.010 -0.628 1.00 0.00 H new ATOM 491 N VAL A 33 -0.758 1.668 1.174 1.00 0.00 N ATOM 492 CA VAL A 33 0.656 1.437 1.084 1.00 0.00 C ATOM 493 C VAL A 33 0.981 0.024 1.525 1.00 0.00 C ATOM 494 O VAL A 33 0.613 -0.394 2.615 1.00 0.00 O ATOM 495 CB VAL A 33 1.460 2.433 1.952 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.948 2.163 1.825 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.140 3.871 1.566 1.00 0.00 C ATOM 0 H VAL A 33 -1.109 1.763 2.127 1.00 0.00 H new ATOM 0 HA VAL A 33 0.941 1.582 0.042 1.00 0.00 H new ATOM 0 HB VAL A 33 1.170 2.291 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.500 2.872 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.163 1.148 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.251 2.275 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.718 4.552 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.397 4.032 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.076 4.059 1.712 1.00 0.00 H new ATOM 507 N ASP A 34 1.642 -0.690 0.683 1.00 0.00 N ATOM 508 CA ASP A 34 2.053 -2.042 0.956 1.00 0.00 C ATOM 509 C ASP A 34 3.564 -2.071 1.120 1.00 0.00 C ATOM 510 O ASP A 34 4.305 -1.596 0.243 1.00 0.00 O ATOM 511 CB ASP A 34 1.646 -2.923 -0.218 1.00 0.00 C ATOM 512 CG ASP A 34 2.038 -4.375 -0.087 1.00 0.00 C ATOM 513 OD1 ASP A 34 3.234 -4.669 0.025 1.00 0.00 O ATOM 514 OD2 ASP A 34 1.188 -5.242 -0.233 1.00 0.00 O ATOM 0 H ASP A 34 1.923 -0.353 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 34 1.581 -2.408 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.565 -2.863 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.093 -2.521 -1.127 1.00 0.00 H new ATOM 519 N PHE A 35 4.022 -2.585 2.226 1.00 0.00 N ATOM 520 CA PHE A 35 5.415 -2.710 2.468 1.00 0.00 C ATOM 521 C PHE A 35 5.857 -4.147 2.203 1.00 0.00 C ATOM 522 O PHE A 35 5.427 -5.080 2.892 1.00 0.00 O ATOM 523 CB PHE A 35 5.717 -2.324 3.911 1.00 0.00 C ATOM 524 CG PHE A 35 5.388 -0.892 4.254 1.00 0.00 C ATOM 525 CD1 PHE A 35 6.304 0.116 4.019 1.00 0.00 C ATOM 526 CD2 PHE A 35 4.163 -0.559 4.819 1.00 0.00 C ATOM 527 CE1 PHE A 35 6.009 1.427 4.338 1.00 0.00 C ATOM 528 CE2 PHE A 35 3.864 0.749 5.143 1.00 0.00 C ATOM 529 CZ PHE A 35 4.789 1.743 4.900 1.00 0.00 C ATOM 0 H PHE A 35 3.430 -2.928 2.983 1.00 0.00 H new ATOM 0 HA PHE A 35 5.962 -2.045 1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.157 -2.982 4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.775 -2.498 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.261 -0.124 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.435 -1.334 5.007 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.733 2.205 4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.909 0.993 5.585 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.558 2.768 5.150 1.00 0.00 H new ATOM 539 N THR A 36 6.733 -4.308 1.242 1.00 0.00 N ATOM 540 CA THR A 36 7.221 -5.600 0.828 1.00 0.00 C ATOM 541 C THR A 36 8.743 -5.610 0.829 1.00 0.00 C ATOM 542 O THR A 36 9.378 -4.579 0.720 1.00 0.00 O ATOM 543 CB THR A 36 6.699 -5.941 -0.604 1.00 0.00 C ATOM 544 OG1 THR A 36 5.284 -6.051 -0.610 1.00 0.00 O ATOM 545 CG2 THR A 36 7.287 -7.224 -1.195 1.00 0.00 C ATOM 0 H THR A 36 7.134 -3.531 0.716 1.00 0.00 H new ATOM 0 HA THR A 36 6.856 -6.349 1.530 1.00 0.00 H new ATOM 0 HB THR A 36 7.030 -5.112 -1.229 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.894 -5.277 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.874 -7.389 -2.190 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.371 -7.130 -1.263 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.036 -8.069 -0.553 1.00 0.00 H new ATOM 553 N ALA A 37 9.300 -6.764 0.996 1.00 0.00 N ATOM 554 CA ALA A 37 10.703 -6.961 0.886 1.00 0.00 C ATOM 555 C ALA A 37 10.908 -7.989 -0.193 1.00 0.00 C ATOM 556 O ALA A 37 10.283 -9.049 -0.143 1.00 0.00 O ATOM 557 CB ALA A 37 11.266 -7.458 2.201 1.00 0.00 C ATOM 0 H ALA A 37 8.779 -7.613 1.217 1.00 0.00 H new ATOM 0 HA ALA A 37 11.214 -6.030 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.342 -7.605 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.069 -6.723 2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.793 -8.404 2.465 1.00 0.00 H new ATOM 563 N SER A 38 11.740 -7.679 -1.172 1.00 0.00 N ATOM 564 CA SER A 38 12.019 -8.586 -2.300 1.00 0.00 C ATOM 565 C SER A 38 12.410 -10.005 -1.840 1.00 0.00 C ATOM 566 O SER A 38 12.065 -11.002 -2.485 1.00 0.00 O ATOM 567 CB SER A 38 13.128 -8.002 -3.173 1.00 0.00 C ATOM 568 OG SER A 38 12.751 -6.739 -3.721 1.00 0.00 O ATOM 0 H SER A 38 12.247 -6.795 -1.218 1.00 0.00 H new ATOM 0 HA SER A 38 11.097 -8.676 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.036 -7.887 -2.581 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.360 -8.696 -3.981 1.00 0.00 H new ATOM 0 HG SER A 38 12.791 -6.054 -3.022 1.00 0.00 H new ATOM 574 N TRP A 39 13.085 -10.082 -0.714 1.00 0.00 N ATOM 575 CA TRP A 39 13.558 -11.341 -0.172 1.00 0.00 C ATOM 576 C TRP A 39 12.470 -12.080 0.618 1.00 0.00 C ATOM 577 O TRP A 39 12.703 -13.160 1.141 1.00 0.00 O ATOM 578 CB TRP A 39 14.806 -11.098 0.695 1.00 0.00 C ATOM 579 CG TRP A 39 14.606 -10.126 1.810 1.00 0.00 C ATOM 580 CD1 TRP A 39 14.797 -8.799 1.742 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.189 -10.407 3.155 1.00 0.00 C ATOM 582 NE1 TRP A 39 14.525 -8.213 2.951 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.148 -9.183 3.836 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.845 -11.570 3.846 1.00 0.00 C ATOM 585 CZ2 TRP A 39 13.778 -9.082 5.166 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.476 -11.470 5.170 1.00 0.00 C ATOM 587 CH2 TRP A 39 13.445 -10.232 5.817 1.00 0.00 C ATOM 0 H TRP A 39 13.323 -9.270 -0.144 1.00 0.00 H new ATOM 0 HA TRP A 39 13.824 -11.987 -1.008 1.00 0.00 H new ATOM 0 HB2 TRP A 39 15.133 -12.050 1.114 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.612 -10.738 0.056 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.120 -8.268 0.859 1.00 0.00 H new ATOM 0 HE1 TRP A 39 14.593 -7.216 3.156 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.868 -12.530 3.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 13.754 -8.127 5.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.207 -12.362 5.716 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.151 -10.185 6.855 1.00 0.00 H new ATOM 598 N CYS A 40 11.295 -11.505 0.699 1.00 0.00 N ATOM 599 CA CYS A 40 10.214 -12.109 1.445 1.00 0.00 C ATOM 600 C CYS A 40 9.255 -12.853 0.517 1.00 0.00 C ATOM 601 O CYS A 40 8.674 -12.264 -0.403 1.00 0.00 O ATOM 602 CB CYS A 40 9.470 -11.043 2.251 1.00 0.00 C ATOM 603 SG CYS A 40 8.031 -11.655 3.190 1.00 0.00 S ATOM 0 H CYS A 40 11.061 -10.616 0.256 1.00 0.00 H new ATOM 0 HA CYS A 40 10.639 -12.837 2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 40 10.170 -10.581 2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.135 -10.261 1.569 1.00 0.00 H new ATOM 608 N GLY A 41 9.076 -14.136 0.792 1.00 0.00 N ATOM 609 CA GLY A 41 8.226 -15.003 -0.019 1.00 0.00 C ATOM 610 C GLY A 41 6.747 -14.627 0.019 1.00 0.00 C ATOM 611 O GLY A 41 6.199 -14.199 -0.997 1.00 0.00 O ATOM 0 H GLY A 41 9.514 -14.608 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.573 -14.972 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.339 -16.031 0.325 1.00 0.00 H new ATOM 615 N PRO A 42 6.063 -14.764 1.189 1.00 0.00 N ATOM 616 CA PRO A 42 4.629 -14.435 1.323 1.00 0.00 C ATOM 617 C PRO A 42 4.329 -12.992 0.910 1.00 0.00 C ATOM 618 O PRO A 42 3.252 -12.687 0.399 1.00 0.00 O ATOM 619 CB PRO A 42 4.339 -14.637 2.822 1.00 0.00 C ATOM 620 CG PRO A 42 5.683 -14.690 3.471 1.00 0.00 C ATOM 621 CD PRO A 42 6.614 -15.269 2.456 1.00 0.00 C ATOM 0 HA PRO A 42 4.010 -15.057 0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.739 -13.819 3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.780 -15.557 2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.008 -13.695 3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.657 -15.305 4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.641 -14.938 2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.622 -16.358 2.489 1.00 0.00 H new ATOM 629 N CYS A 43 5.299 -12.124 1.114 1.00 0.00 N ATOM 630 CA CYS A 43 5.175 -10.720 0.759 1.00 0.00 C ATOM 631 C CYS A 43 5.085 -10.563 -0.762 1.00 0.00 C ATOM 632 O CYS A 43 4.348 -9.727 -1.271 1.00 0.00 O ATOM 633 CB CYS A 43 6.379 -9.945 1.277 1.00 0.00 C ATOM 634 SG CYS A 43 6.698 -10.133 3.066 1.00 0.00 S ATOM 0 H CYS A 43 6.197 -12.370 1.531 1.00 0.00 H new ATOM 0 HA CYS A 43 4.266 -10.326 1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.264 -10.267 0.728 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.235 -8.887 1.057 1.00 0.00 H new ATOM 639 N ARG A 44 5.838 -11.370 -1.480 1.00 0.00 N ATOM 640 CA ARG A 44 5.794 -11.329 -2.921 1.00 0.00 C ATOM 641 C ARG A 44 4.555 -12.066 -3.418 1.00 0.00 C ATOM 642 O ARG A 44 3.948 -11.685 -4.407 1.00 0.00 O ATOM 643 CB ARG A 44 7.054 -11.932 -3.535 1.00 0.00 C ATOM 644 CG ARG A 44 7.076 -11.827 -5.045 1.00 0.00 C ATOM 645 CD ARG A 44 8.301 -12.459 -5.645 1.00 0.00 C ATOM 646 NE ARG A 44 8.303 -12.307 -7.096 1.00 0.00 N ATOM 647 CZ ARG A 44 9.129 -12.910 -7.936 1.00 0.00 C ATOM 648 NH1 ARG A 44 10.036 -13.775 -7.492 1.00 0.00 N ATOM 649 NH2 ARG A 44 9.035 -12.656 -9.229 1.00 0.00 N ATOM 0 H ARG A 44 6.483 -12.057 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 44 5.744 -10.286 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.930 -11.427 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.128 -12.981 -3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.186 -12.306 -5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.033 -10.777 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.196 -11.999 -5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.334 -13.517 -5.385 1.00 0.00 H new ATOM 0 HE ARG A 44 7.606 -11.681 -7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.100 -13.980 -6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.667 -14.234 -8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.331 -12.001 -9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.666 -13.115 -9.886 1.00 0.00 H new ATOM 663 N PHE A 45 4.174 -13.108 -2.698 1.00 0.00 N ATOM 664 CA PHE A 45 3.008 -13.914 -3.043 1.00 0.00 C ATOM 665 C PHE A 45 1.714 -13.093 -2.969 1.00 0.00 C ATOM 666 O PHE A 45 0.764 -13.346 -3.709 1.00 0.00 O ATOM 667 CB PHE A 45 2.922 -15.154 -2.130 1.00 0.00 C ATOM 668 CG PHE A 45 1.749 -16.059 -2.421 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.804 -16.969 -3.462 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.591 -15.999 -1.651 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.735 -17.802 -3.734 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.478 -16.827 -1.918 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.408 -17.730 -2.960 1.00 0.00 C ATOM 0 H PHE A 45 4.661 -13.421 -1.859 1.00 0.00 H new ATOM 0 HA PHE A 45 3.125 -14.248 -4.074 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.843 -15.729 -2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.863 -14.824 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.694 -17.029 -4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.529 -15.295 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.793 -18.508 -4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.370 -16.769 -1.312 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.245 -18.379 -3.170 1.00 0.00 H new ATOM 683 N ILE A 46 1.694 -12.092 -2.111 1.00 0.00 N ATOM 684 CA ILE A 46 0.497 -11.286 -1.938 1.00 0.00 C ATOM 685 C ILE A 46 0.486 -10.130 -2.972 1.00 0.00 C ATOM 686 O ILE A 46 -0.543 -9.480 -3.203 1.00 0.00 O ATOM 687 CB ILE A 46 0.411 -10.708 -0.480 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.985 -10.178 -0.174 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.443 -9.618 -0.239 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.022 -11.265 -0.120 1.00 0.00 C ATOM 0 H ILE A 46 2.484 -11.817 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.372 -11.923 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 46 0.627 -11.535 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.968 -9.651 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.267 -9.450 -0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.348 -9.246 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.443 -10.025 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.278 -8.800 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.996 -10.828 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.064 -11.776 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.759 -11.980 0.660 1.00 0.00 H new ATOM 702 N ALA A 47 1.627 -9.921 -3.619 1.00 0.00 N ATOM 703 CA ALA A 47 1.785 -8.845 -4.590 1.00 0.00 C ATOM 704 C ALA A 47 0.796 -8.928 -5.783 1.00 0.00 C ATOM 705 O ALA A 47 0.190 -7.926 -6.116 1.00 0.00 O ATOM 706 CB ALA A 47 3.232 -8.701 -5.056 1.00 0.00 C ATOM 0 H ALA A 47 2.464 -10.489 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 47 1.521 -7.932 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.302 -7.888 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.870 -8.482 -4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.558 -9.630 -5.523 1.00 0.00 H new ATOM 712 N PRO A 48 0.605 -10.121 -6.456 1.00 0.00 N ATOM 713 CA PRO A 48 -0.360 -10.247 -7.575 1.00 0.00 C ATOM 714 C PRO A 48 -1.786 -9.863 -7.163 1.00 0.00 C ATOM 715 O PRO A 48 -2.555 -9.320 -7.965 1.00 0.00 O ATOM 716 CB PRO A 48 -0.307 -11.738 -7.937 1.00 0.00 C ATOM 717 CG PRO A 48 1.023 -12.194 -7.461 1.00 0.00 C ATOM 718 CD PRO A 48 1.312 -11.405 -6.222 1.00 0.00 C ATOM 0 HA PRO A 48 -0.104 -9.581 -8.399 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.112 -12.292 -7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.416 -11.889 -9.011 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.016 -13.263 -7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.788 -12.024 -8.219 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.942 -11.910 -5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.382 -11.254 -6.083 1.00 0.00 H new ATOM 726 N PHE A 49 -2.120 -10.117 -5.907 1.00 0.00 N ATOM 727 CA PHE A 49 -3.439 -9.815 -5.393 1.00 0.00 C ATOM 728 C PHE A 49 -3.558 -8.296 -5.210 1.00 0.00 C ATOM 729 O PHE A 49 -4.572 -7.695 -5.541 1.00 0.00 O ATOM 730 CB PHE A 49 -3.665 -10.553 -4.056 1.00 0.00 C ATOM 731 CG PHE A 49 -5.084 -10.520 -3.531 1.00 0.00 C ATOM 732 CD1 PHE A 49 -5.570 -9.426 -2.837 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.927 -11.603 -3.727 1.00 0.00 C ATOM 734 CE1 PHE A 49 -6.865 -9.409 -2.350 1.00 0.00 C ATOM 735 CE2 PHE A 49 -7.221 -11.593 -3.243 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.688 -10.494 -2.554 1.00 0.00 C ATOM 0 H PHE A 49 -1.488 -10.535 -5.224 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.203 -10.152 -6.094 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.365 -11.594 -4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.007 -10.118 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.929 -8.573 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.567 -12.467 -4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.229 -8.547 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.865 -12.445 -3.404 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.699 -10.484 -2.174 1.00 0.00 H new ATOM 746 N PHE A 50 -2.488 -7.690 -4.717 1.00 0.00 N ATOM 747 CA PHE A 50 -2.427 -6.242 -4.500 1.00 0.00 C ATOM 748 C PHE A 50 -2.373 -5.499 -5.848 1.00 0.00 C ATOM 749 O PHE A 50 -2.936 -4.414 -6.001 1.00 0.00 O ATOM 750 CB PHE A 50 -1.207 -5.908 -3.624 1.00 0.00 C ATOM 751 CG PHE A 50 -1.085 -4.467 -3.217 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.798 -3.985 -2.133 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.249 -3.601 -3.903 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.684 -2.671 -1.741 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.131 -2.283 -3.515 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.850 -1.816 -2.431 1.00 0.00 C ATOM 0 H PHE A 50 -1.635 -8.183 -4.454 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.327 -5.912 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.248 -6.521 -2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.304 -6.194 -4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.452 -4.649 -1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.316 -3.962 -4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.247 -2.309 -0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.523 -1.616 -4.058 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.759 -0.784 -2.125 1.00 0.00 H new ATOM 766 N ALA A 51 -1.713 -6.100 -6.820 1.00 0.00 N ATOM 767 CA ALA A 51 -1.646 -5.542 -8.167 1.00 0.00 C ATOM 768 C ALA A 51 -3.022 -5.608 -8.823 1.00 0.00 C ATOM 769 O ALA A 51 -3.370 -4.787 -9.678 1.00 0.00 O ATOM 770 CB ALA A 51 -0.616 -6.289 -9.005 1.00 0.00 C ATOM 0 H ALA A 51 -1.211 -6.981 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.337 -4.499 -8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.580 -5.859 -10.006 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.365 -6.203 -8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.895 -7.341 -9.072 1.00 0.00 H new ATOM 776 N ASP A 52 -3.802 -6.587 -8.405 1.00 0.00 N ATOM 777 CA ASP A 52 -5.167 -6.766 -8.885 1.00 0.00 C ATOM 778 C ASP A 52 -6.027 -5.698 -8.292 1.00 0.00 C ATOM 779 O ASP A 52 -6.840 -5.089 -8.971 1.00 0.00 O ATOM 780 CB ASP A 52 -5.687 -8.115 -8.460 1.00 0.00 C ATOM 781 CG ASP A 52 -7.058 -8.423 -9.005 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.173 -8.750 -10.200 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.032 -8.391 -8.235 1.00 0.00 O ATOM 0 H ASP A 52 -3.510 -7.285 -7.721 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.184 -6.704 -9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.991 -8.886 -8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.718 -8.158 -7.371 1.00 0.00 H new ATOM 788 N LEU A 53 -5.817 -5.471 -7.009 1.00 0.00 N ATOM 789 CA LEU A 53 -6.476 -4.436 -6.262 1.00 0.00 C ATOM 790 C LEU A 53 -6.306 -3.077 -6.946 1.00 0.00 C ATOM 791 O LEU A 53 -7.251 -2.295 -7.034 1.00 0.00 O ATOM 792 CB LEU A 53 -5.894 -4.390 -4.846 1.00 0.00 C ATOM 793 CG LEU A 53 -6.133 -5.588 -3.933 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.517 -5.342 -2.560 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.612 -5.873 -3.787 1.00 0.00 C ATOM 0 H LEU A 53 -5.164 -6.020 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.542 -4.657 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.817 -4.246 -4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.295 -3.507 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.656 -6.456 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.696 -6.206 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.443 -5.185 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.970 -4.458 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.754 -6.732 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.110 -5.003 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.039 -6.090 -4.766 1.00 0.00 H new ATOM 807 N ALA A 54 -5.111 -2.831 -7.458 1.00 0.00 N ATOM 808 CA ALA A 54 -4.792 -1.588 -8.142 1.00 0.00 C ATOM 809 C ALA A 54 -5.611 -1.409 -9.416 1.00 0.00 C ATOM 810 O ALA A 54 -5.946 -0.288 -9.795 1.00 0.00 O ATOM 811 CB ALA A 54 -3.309 -1.516 -8.449 1.00 0.00 C ATOM 0 H ALA A 54 -4.333 -3.489 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.055 -0.771 -7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.088 -0.579 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.742 -1.564 -7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.029 -2.353 -9.088 1.00 0.00 H new ATOM 817 N LYS A 55 -5.897 -2.496 -10.101 1.00 0.00 N ATOM 818 CA LYS A 55 -6.709 -2.413 -11.296 1.00 0.00 C ATOM 819 C LYS A 55 -8.186 -2.338 -10.918 1.00 0.00 C ATOM 820 O LYS A 55 -8.995 -1.716 -11.610 1.00 0.00 O ATOM 821 CB LYS A 55 -6.459 -3.605 -12.227 1.00 0.00 C ATOM 822 CG LYS A 55 -7.158 -3.466 -13.571 1.00 0.00 C ATOM 823 CD LYS A 55 -6.938 -4.668 -14.465 1.00 0.00 C ATOM 824 CE LYS A 55 -7.562 -4.448 -15.844 1.00 0.00 C ATOM 825 NZ LYS A 55 -9.013 -4.119 -15.779 1.00 0.00 N ATOM 0 H LYS A 55 -5.584 -3.435 -9.855 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.428 -1.507 -11.833 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.387 -3.713 -12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.800 -4.518 -11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.227 -3.329 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.795 -2.571 -14.075 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.870 -4.856 -14.571 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.373 -5.554 -14.002 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.034 -3.640 -16.351 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.425 -5.346 -16.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.419 -4.148 -16.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.500 -4.813 -15.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.135 -3.167 -15.379 1.00 0.00 H new ATOM 839 N LYS A 56 -8.514 -2.970 -9.808 1.00 0.00 N ATOM 840 CA LYS A 56 -9.877 -3.092 -9.344 1.00 0.00 C ATOM 841 C LYS A 56 -10.406 -1.740 -8.846 1.00 0.00 C ATOM 842 O LYS A 56 -11.571 -1.383 -9.097 1.00 0.00 O ATOM 843 CB LYS A 56 -9.917 -4.128 -8.215 1.00 0.00 C ATOM 844 CG LYS A 56 -11.309 -4.587 -7.804 1.00 0.00 C ATOM 845 CD LYS A 56 -11.262 -5.542 -6.603 1.00 0.00 C ATOM 846 CE LYS A 56 -10.301 -6.711 -6.830 1.00 0.00 C ATOM 847 NZ LYS A 56 -10.625 -7.500 -8.034 1.00 0.00 N ATOM 0 H LYS A 56 -7.831 -3.418 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.514 -3.414 -10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.341 -5.000 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.418 -3.709 -7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.919 -3.719 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.791 -5.084 -8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.956 -4.990 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.262 -5.929 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.285 -6.327 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.321 -7.365 -5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.823 -8.118 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.468 -8.081 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.813 -6.858 -8.830 1.00 0.00 H new ATOM 861 N LEU A 57 -9.561 -0.996 -8.142 1.00 0.00 N ATOM 862 CA LEU A 57 -9.923 0.300 -7.647 1.00 0.00 C ATOM 863 C LEU A 57 -9.100 1.386 -8.357 1.00 0.00 C ATOM 864 O LEU A 57 -7.964 1.659 -7.986 1.00 0.00 O ATOM 865 CB LEU A 57 -9.748 0.408 -6.116 1.00 0.00 C ATOM 866 CG LEU A 57 -10.658 -0.460 -5.200 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.335 -1.940 -5.286 1.00 0.00 C ATOM 868 CD2 LEU A 57 -10.590 0.014 -3.757 1.00 0.00 C ATOM 0 H LEU A 57 -8.612 -1.285 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.981 0.449 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.712 0.162 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.898 1.451 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.676 -0.332 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.001 -2.497 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.470 -2.283 -6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.301 -2.105 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.235 -0.610 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.563 -0.058 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.923 1.050 -3.698 1.00 0.00 H new ATOM 880 N PRO A 58 -9.674 2.017 -9.388 1.00 0.00 N ATOM 881 CA PRO A 58 -8.976 3.005 -10.216 1.00 0.00 C ATOM 882 C PRO A 58 -9.024 4.431 -9.644 1.00 0.00 C ATOM 883 O PRO A 58 -8.769 5.412 -10.355 1.00 0.00 O ATOM 884 CB PRO A 58 -9.759 2.936 -11.522 1.00 0.00 C ATOM 885 CG PRO A 58 -11.156 2.628 -11.105 1.00 0.00 C ATOM 886 CD PRO A 58 -11.060 1.812 -9.843 1.00 0.00 C ATOM 0 HA PRO A 58 -7.911 2.788 -10.300 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.706 3.879 -12.066 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.363 2.164 -12.182 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.719 3.545 -10.931 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.680 2.075 -11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.779 2.148 -9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.266 0.759 -10.033 1.00 0.00 H new ATOM 894 N ASN A 59 -9.344 4.545 -8.385 1.00 0.00 N ATOM 895 CA ASN A 59 -9.414 5.847 -7.723 1.00 0.00 C ATOM 896 C ASN A 59 -8.554 5.813 -6.461 1.00 0.00 C ATOM 897 O ASN A 59 -8.487 6.770 -5.693 1.00 0.00 O ATOM 898 CB ASN A 59 -10.881 6.170 -7.376 1.00 0.00 C ATOM 899 CG ASN A 59 -11.105 7.556 -6.766 1.00 0.00 C ATOM 900 OD1 ASN A 59 -10.379 8.512 -7.050 1.00 0.00 O ATOM 901 ND2 ASN A 59 -12.113 7.671 -5.930 1.00 0.00 N ATOM 0 H ASN A 59 -9.565 3.754 -7.781 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.037 6.626 -8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.481 6.086 -8.282 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.249 5.418 -6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.314 8.571 -5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.694 6.860 -5.717 1.00 0.00 H new ATOM 908 N VAL A 60 -7.868 4.715 -6.280 1.00 0.00 N ATOM 909 CA VAL A 60 -7.070 4.495 -5.098 1.00 0.00 C ATOM 910 C VAL A 60 -5.606 4.396 -5.475 1.00 0.00 C ATOM 911 O VAL A 60 -5.258 3.767 -6.477 1.00 0.00 O ATOM 912 CB VAL A 60 -7.522 3.211 -4.355 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.716 2.982 -3.082 1.00 0.00 C ATOM 914 CG2 VAL A 60 -9.001 3.288 -4.043 1.00 0.00 C ATOM 0 H VAL A 60 -7.846 3.945 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.209 5.341 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.339 2.360 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.063 2.073 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.660 2.879 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.848 3.830 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.310 2.382 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.195 4.155 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.564 3.382 -4.971 1.00 0.00 H new ATOM 924 N LEU A 61 -4.766 5.057 -4.723 1.00 0.00 N ATOM 925 CA LEU A 61 -3.364 5.016 -4.952 1.00 0.00 C ATOM 926 C LEU A 61 -2.764 3.866 -4.172 1.00 0.00 C ATOM 927 O LEU A 61 -2.821 3.845 -2.944 1.00 0.00 O ATOM 928 CB LEU A 61 -2.730 6.328 -4.499 1.00 0.00 C ATOM 929 CG LEU A 61 -3.168 7.600 -5.231 1.00 0.00 C ATOM 930 CD1 LEU A 61 -2.473 8.816 -4.642 1.00 0.00 C ATOM 931 CD2 LEU A 61 -2.877 7.498 -6.719 1.00 0.00 C ATOM 0 H LEU A 61 -5.046 5.639 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.173 4.875 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.941 6.458 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.649 6.234 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.244 7.712 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.795 9.712 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.731 8.907 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.394 8.703 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.197 8.414 -7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.807 7.357 -6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.418 6.649 -7.138 1.00 0.00 H new ATOM 943 N PHE A 62 -2.224 2.908 -4.871 1.00 0.00 N ATOM 944 CA PHE A 62 -1.581 1.782 -4.238 1.00 0.00 C ATOM 945 C PHE A 62 -0.096 1.920 -4.388 1.00 0.00 C ATOM 946 O PHE A 62 0.397 2.309 -5.452 1.00 0.00 O ATOM 947 CB PHE A 62 -2.030 0.469 -4.846 1.00 0.00 C ATOM 948 CG PHE A 62 -3.507 0.193 -4.733 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.394 0.684 -5.674 1.00 0.00 C ATOM 950 CD2 PHE A 62 -4.000 -0.567 -3.688 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.742 0.422 -5.575 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.350 -0.830 -3.582 1.00 0.00 C ATOM 953 CZ PHE A 62 -6.222 -0.337 -4.528 1.00 0.00 C ATOM 0 H PHE A 62 -2.215 2.881 -5.891 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.860 1.776 -3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.752 0.459 -5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.485 -0.343 -4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.025 1.280 -6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.320 -0.959 -2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.424 0.811 -6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.723 -1.421 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.279 -0.544 -4.450 1.00 0.00 H new ATOM 963 N LEU A 63 0.608 1.622 -3.350 1.00 0.00 N ATOM 964 CA LEU A 63 2.038 1.761 -3.330 1.00 0.00 C ATOM 965 C LEU A 63 2.716 0.504 -2.840 1.00 0.00 C ATOM 966 O LEU A 63 2.239 -0.150 -1.932 1.00 0.00 O ATOM 967 CB LEU A 63 2.499 2.944 -2.442 1.00 0.00 C ATOM 968 CG LEU A 63 2.203 4.391 -2.904 1.00 0.00 C ATOM 969 CD1 LEU A 63 0.724 4.728 -2.878 1.00 0.00 C ATOM 970 CD2 LEU A 63 2.992 5.385 -2.077 1.00 0.00 C ATOM 0 H LEU A 63 0.210 1.271 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 63 2.329 1.955 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.046 2.813 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.577 2.855 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 63 2.520 4.459 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.579 5.755 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.185 4.051 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.344 4.620 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.771 6.397 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.716 5.286 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.058 5.189 -2.192 1.00 0.00 H new ATOM 982 N LYS A 64 3.816 0.177 -3.469 1.00 0.00 N ATOM 983 CA LYS A 64 4.679 -0.884 -3.068 1.00 0.00 C ATOM 984 C LYS A 64 5.988 -0.288 -2.620 1.00 0.00 C ATOM 985 O LYS A 64 6.688 0.360 -3.404 1.00 0.00 O ATOM 986 CB LYS A 64 4.917 -1.859 -4.221 1.00 0.00 C ATOM 987 CG LYS A 64 3.903 -2.999 -4.361 1.00 0.00 C ATOM 988 CD LYS A 64 3.999 -3.983 -3.193 1.00 0.00 C ATOM 989 CE LYS A 64 3.044 -5.167 -3.364 1.00 0.00 C ATOM 990 NZ LYS A 64 3.118 -6.123 -2.224 1.00 0.00 N ATOM 0 H LYS A 64 4.139 0.666 -4.304 1.00 0.00 H new ATOM 0 HA LYS A 64 4.216 -1.439 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.927 -1.293 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.909 -2.295 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.895 -2.587 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.076 -3.528 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.022 -4.351 -3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.771 -3.464 -2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.023 -4.797 -3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.280 -5.691 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.485 -7.036 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.752 -5.743 -1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.168 -6.258 -1.822 1.00 0.00 H new ATOM 1004 N VAL A 65 6.293 -0.455 -1.377 1.00 0.00 N ATOM 1005 CA VAL A 65 7.523 0.044 -0.822 1.00 0.00 C ATOM 1006 C VAL A 65 8.414 -1.127 -0.476 1.00 0.00 C ATOM 1007 O VAL A 65 8.035 -1.975 0.339 1.00 0.00 O ATOM 1008 CB VAL A 65 7.260 0.894 0.459 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.560 1.421 1.050 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.312 2.047 0.152 1.00 0.00 C ATOM 0 H VAL A 65 5.698 -0.943 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 65 8.005 0.685 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 65 6.793 0.244 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.342 2.009 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.204 0.583 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.065 2.048 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.141 2.628 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.753 2.687 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.363 1.651 -0.210 1.00 0.00 H new ATOM 1020 N ASP A 66 9.569 -1.200 -1.112 1.00 0.00 N ATOM 1021 CA ASP A 66 10.512 -2.268 -0.828 1.00 0.00 C ATOM 1022 C ASP A 66 11.384 -1.884 0.342 1.00 0.00 C ATOM 1023 O ASP A 66 12.191 -0.948 0.259 1.00 0.00 O ATOM 1024 CB ASP A 66 11.359 -2.624 -2.034 1.00 0.00 C ATOM 1025 CG ASP A 66 12.329 -3.764 -1.748 1.00 0.00 C ATOM 1026 OD1 ASP A 66 11.946 -4.962 -1.892 1.00 0.00 O ATOM 1027 OD2 ASP A 66 13.481 -3.490 -1.393 1.00 0.00 O ATOM 0 H ASP A 66 9.876 -0.538 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 66 9.937 -3.158 -0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.708 -2.904 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.920 -1.745 -2.353 1.00 0.00 H new ATOM 1032 N THR A 67 11.198 -2.583 1.429 1.00 0.00 N ATOM 1033 CA THR A 67 11.880 -2.316 2.678 1.00 0.00 C ATOM 1034 C THR A 67 13.358 -2.723 2.651 1.00 0.00 C ATOM 1035 O THR A 67 14.133 -2.330 3.531 1.00 0.00 O ATOM 1036 CB THR A 67 11.170 -3.030 3.829 1.00 0.00 C ATOM 1037 OG1 THR A 67 11.124 -4.435 3.545 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.746 -2.506 3.990 1.00 0.00 C ATOM 0 H THR A 67 10.555 -3.373 1.478 1.00 0.00 H new ATOM 0 HA THR A 67 11.846 -1.237 2.828 1.00 0.00 H new ATOM 0 HB THR A 67 11.718 -2.845 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.933 -4.929 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.258 -3.027 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.773 -1.437 4.201 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.188 -2.680 3.070 1.00 0.00 H new ATOM 1046 N ASP A 68 13.746 -3.515 1.664 1.00 0.00 N ATOM 1047 CA ASP A 68 15.133 -3.943 1.542 1.00 0.00 C ATOM 1048 C ASP A 68 15.950 -2.765 1.115 1.00 0.00 C ATOM 1049 O ASP A 68 17.043 -2.511 1.631 1.00 0.00 O ATOM 1050 CB ASP A 68 15.268 -5.081 0.536 1.00 0.00 C ATOM 1051 CG ASP A 68 16.692 -5.570 0.379 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.153 -6.388 1.209 1.00 0.00 O ATOM 1053 OD2 ASP A 68 17.370 -5.162 -0.588 1.00 0.00 O ATOM 0 H ASP A 68 13.125 -3.874 0.939 1.00 0.00 H new ATOM 0 HA ASP A 68 15.487 -4.317 2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.637 -5.913 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.896 -4.747 -0.433 1.00 0.00 H new ATOM 1058 N GLU A 69 15.408 -2.043 0.176 1.00 0.00 N ATOM 1059 CA GLU A 69 15.963 -0.830 -0.272 1.00 0.00 C ATOM 1060 C GLU A 69 15.685 0.292 0.726 1.00 0.00 C ATOM 1061 O GLU A 69 16.613 0.872 1.297 1.00 0.00 O ATOM 1062 CB GLU A 69 15.411 -0.507 -1.635 1.00 0.00 C ATOM 1063 CG GLU A 69 15.874 -1.469 -2.708 1.00 0.00 C ATOM 1064 CD GLU A 69 15.373 -1.128 -4.078 1.00 0.00 C ATOM 1065 OE1 GLU A 69 14.233 -1.480 -4.407 1.00 0.00 O ATOM 1066 OE2 GLU A 69 16.127 -0.514 -4.857 1.00 0.00 O ATOM 0 H GLU A 69 14.545 -2.302 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 69 17.046 -0.930 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.322 -0.518 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.708 0.505 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.964 -1.486 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.543 -2.475 -2.449 1.00 0.00 H new ATOM 1073 N LEU A 70 14.427 0.581 0.958 1.00 0.00 N ATOM 1074 CA LEU A 70 14.041 1.604 1.862 1.00 0.00 C ATOM 1075 C LEU A 70 13.950 1.106 3.298 1.00 0.00 C ATOM 1076 O LEU A 70 12.854 0.906 3.854 1.00 0.00 O ATOM 1077 CB LEU A 70 12.747 2.239 1.415 1.00 0.00 C ATOM 1078 CG LEU A 70 12.807 3.070 0.138 1.00 0.00 C ATOM 1079 CD1 LEU A 70 11.432 3.603 -0.208 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.793 4.219 0.297 1.00 0.00 C ATOM 0 H LEU A 70 13.645 0.100 0.513 1.00 0.00 H new ATOM 0 HA LEU A 70 14.822 2.364 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.009 1.449 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.383 2.876 2.221 1.00 0.00 H new ATOM 0 HG LEU A 70 13.148 2.430 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.490 4.194 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.746 2.769 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.069 4.229 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.824 4.802 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.477 4.858 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.785 3.820 0.507 1.00 0.00 H new ATOM 1092 N LYS A 71 15.105 0.876 3.880 1.00 0.00 N ATOM 1093 CA LYS A 71 15.212 0.397 5.249 1.00 0.00 C ATOM 1094 C LYS A 71 14.767 1.466 6.230 1.00 0.00 C ATOM 1095 O LYS A 71 14.149 1.175 7.259 1.00 0.00 O ATOM 1096 CB LYS A 71 16.651 -0.021 5.558 1.00 0.00 C ATOM 1097 CG LYS A 71 17.190 -1.119 4.652 1.00 0.00 C ATOM 1098 CD LYS A 71 18.624 -1.501 5.008 1.00 0.00 C ATOM 1099 CE LYS A 71 18.724 -2.073 6.418 1.00 0.00 C ATOM 1100 NZ LYS A 71 20.106 -2.444 6.767 1.00 0.00 N ATOM 0 H LYS A 71 16.004 1.015 3.419 1.00 0.00 H new ATOM 0 HA LYS A 71 14.559 -0.469 5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.297 0.853 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.705 -0.360 6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.551 -1.999 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.150 -0.785 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.993 -2.234 4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.265 -0.623 4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.354 -1.339 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.082 -2.950 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.129 -2.828 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.451 -3.163 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.715 -1.603 6.715 1.00 0.00 H new ATOM 1114 N SER A 72 15.059 2.706 5.890 1.00 0.00 N ATOM 1115 CA SER A 72 14.759 3.840 6.737 1.00 0.00 C ATOM 1116 C SER A 72 13.260 4.057 6.904 1.00 0.00 C ATOM 1117 O SER A 72 12.815 4.551 7.935 1.00 0.00 O ATOM 1118 CB SER A 72 15.455 5.084 6.194 1.00 0.00 C ATOM 1119 OG SER A 72 15.153 5.262 4.805 1.00 0.00 O ATOM 0 H SER A 72 15.514 2.955 5.012 1.00 0.00 H new ATOM 0 HA SER A 72 15.143 3.631 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.136 5.961 6.757 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.533 4.993 6.329 1.00 0.00 H new ATOM 0 HG SER A 72 15.605 6.065 4.472 1.00 0.00 H new ATOM 1125 N VAL A 73 12.491 3.668 5.905 1.00 0.00 N ATOM 1126 CA VAL A 73 11.051 3.799 5.969 1.00 0.00 C ATOM 1127 C VAL A 73 10.488 2.760 6.933 1.00 0.00 C ATOM 1128 O VAL A 73 9.770 3.091 7.868 1.00 0.00 O ATOM 1129 CB VAL A 73 10.401 3.650 4.566 1.00 0.00 C ATOM 1130 CG1 VAL A 73 8.887 3.760 4.653 1.00 0.00 C ATOM 1131 CG2 VAL A 73 10.948 4.710 3.617 1.00 0.00 C ATOM 0 H VAL A 73 12.841 3.258 5.039 1.00 0.00 H new ATOM 0 HA VAL A 73 10.812 4.799 6.332 1.00 0.00 H new ATOM 0 HB VAL A 73 10.651 2.662 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.457 3.652 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.502 2.974 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.616 4.733 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.485 4.595 2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.723 5.701 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.028 4.593 3.524 1.00 0.00 H new ATOM 1141 N ALA A 74 10.864 1.509 6.726 1.00 0.00 N ATOM 1142 CA ALA A 74 10.414 0.413 7.581 1.00 0.00 C ATOM 1143 C ALA A 74 10.820 0.653 9.028 1.00 0.00 C ATOM 1144 O ALA A 74 10.025 0.455 9.942 1.00 0.00 O ATOM 1145 CB ALA A 74 10.995 -0.902 7.091 1.00 0.00 C ATOM 0 H ALA A 74 11.484 1.222 5.969 1.00 0.00 H new ATOM 0 HA ALA A 74 9.326 0.365 7.532 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.654 -1.713 7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.665 -1.087 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.083 -0.851 7.117 1.00 0.00 H new ATOM 1151 N SER A 75 12.037 1.120 9.222 1.00 0.00 N ATOM 1152 CA SER A 75 12.554 1.344 10.543 1.00 0.00 C ATOM 1153 C SER A 75 11.846 2.532 11.215 1.00 0.00 C ATOM 1154 O SER A 75 11.671 2.543 12.433 1.00 0.00 O ATOM 1155 CB SER A 75 14.072 1.558 10.472 1.00 0.00 C ATOM 1156 OG SER A 75 14.664 1.680 11.758 1.00 0.00 O ATOM 0 H SER A 75 12.686 1.351 8.470 1.00 0.00 H new ATOM 0 HA SER A 75 12.358 0.465 11.158 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.529 0.722 9.943 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.283 2.456 9.892 1.00 0.00 H new ATOM 0 HG SER A 75 15.630 1.813 11.662 1.00 0.00 H new ATOM 1162 N ASP A 76 11.412 3.500 10.415 1.00 0.00 N ATOM 1163 CA ASP A 76 10.773 4.717 10.939 1.00 0.00 C ATOM 1164 C ASP A 76 9.369 4.416 11.414 1.00 0.00 C ATOM 1165 O ASP A 76 8.915 4.933 12.429 1.00 0.00 O ATOM 1166 CB ASP A 76 10.694 5.771 9.836 1.00 0.00 C ATOM 1167 CG ASP A 76 10.204 7.116 10.321 1.00 0.00 C ATOM 1168 OD1 ASP A 76 8.987 7.326 10.435 1.00 0.00 O ATOM 1169 OD2 ASP A 76 11.055 8.005 10.581 1.00 0.00 O ATOM 0 H ASP A 76 11.488 3.472 9.398 1.00 0.00 H new ATOM 0 HA ASP A 76 11.369 5.085 11.774 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.681 5.892 9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.030 5.413 9.049 1.00 0.00 H new ATOM 1174 N TRP A 77 8.698 3.550 10.693 1.00 0.00 N ATOM 1175 CA TRP A 77 7.340 3.179 11.003 1.00 0.00 C ATOM 1176 C TRP A 77 7.277 1.978 11.934 1.00 0.00 C ATOM 1177 O TRP A 77 6.206 1.404 12.142 1.00 0.00 O ATOM 1178 CB TRP A 77 6.541 2.942 9.729 1.00 0.00 C ATOM 1179 CG TRP A 77 6.371 4.181 8.898 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.224 4.656 7.953 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.276 5.105 8.945 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.741 5.814 7.417 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.545 6.112 8.002 1.00 0.00 C ATOM 1184 CE3 TRP A 77 4.100 5.178 9.691 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.682 7.181 7.785 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 3.244 6.239 9.476 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.537 7.226 8.529 1.00 0.00 C ATOM 0 H TRP A 77 9.081 3.082 9.872 1.00 0.00 H new ATOM 0 HA TRP A 77 6.884 4.013 11.536 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.039 2.178 9.132 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.558 2.551 9.992 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.152 4.184 7.667 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.201 6.368 6.695 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.864 4.419 10.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.908 7.946 7.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 2.331 6.309 10.049 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.843 8.041 8.383 1.00 0.00 H new ATOM 1198 N ALA A 78 8.443 1.605 12.483 1.00 0.00 N ATOM 1199 CA ALA A 78 8.581 0.511 13.459 1.00 0.00 C ATOM 1200 C ALA A 78 8.217 -0.844 12.863 1.00 0.00 C ATOM 1201 O ALA A 78 7.927 -1.800 13.592 1.00 0.00 O ATOM 1202 CB ALA A 78 7.762 0.796 14.721 1.00 0.00 C ATOM 0 H ALA A 78 9.328 2.060 12.259 1.00 0.00 H new ATOM 0 HA ALA A 78 9.634 0.462 13.738 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.881 -0.027 15.426 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.112 1.721 15.181 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.709 0.898 14.456 1.00 0.00 H new ATOM 1208 N ILE A 79 8.307 -0.942 11.560 1.00 0.00 N ATOM 1209 CA ILE A 79 7.967 -2.146 10.841 1.00 0.00 C ATOM 1210 C ILE A 79 9.053 -3.200 11.025 1.00 0.00 C ATOM 1211 O ILE A 79 10.169 -3.064 10.506 1.00 0.00 O ATOM 1212 CB ILE A 79 7.761 -1.855 9.330 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.665 -0.792 9.156 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.396 -3.137 8.576 1.00 0.00 C ATOM 1215 CD1 ILE A 79 6.382 -0.406 7.727 1.00 0.00 C ATOM 0 H ILE A 79 8.622 -0.179 10.961 1.00 0.00 H new ATOM 0 HA ILE A 79 7.030 -2.526 11.248 1.00 0.00 H new ATOM 0 HB ILE A 79 8.693 -1.476 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.744 -1.162 9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.954 0.102 9.709 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.256 -2.910 7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.199 -3.866 8.688 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.473 -3.549 8.984 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.596 0.348 7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.287 -0.002 7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.058 -1.285 7.170 1.00 0.00 H new ATOM 1227 N GLN A 80 8.731 -4.214 11.789 1.00 0.00 N ATOM 1228 CA GLN A 80 9.624 -5.317 12.049 1.00 0.00 C ATOM 1229 C GLN A 80 9.133 -6.584 11.350 1.00 0.00 C ATOM 1230 O GLN A 80 9.923 -7.386 10.862 1.00 0.00 O ATOM 1231 CB GLN A 80 9.760 -5.547 13.557 1.00 0.00 C ATOM 1232 CG GLN A 80 8.436 -5.715 14.291 1.00 0.00 C ATOM 1233 CD GLN A 80 8.616 -6.005 15.762 1.00 0.00 C ATOM 1234 OE1 GLN A 80 8.697 -5.095 16.583 1.00 0.00 O ATOM 1235 NE2 GLN A 80 8.663 -7.260 16.112 1.00 0.00 N ATOM 0 H GLN A 80 7.828 -4.298 12.255 1.00 0.00 H new ATOM 0 HA GLN A 80 10.607 -5.069 11.648 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.369 -6.436 13.723 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.299 -4.706 13.993 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.843 -4.808 14.174 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.871 -6.526 13.832 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.593 -7.990 15.403 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.770 -7.512 17.095 1.00 0.00 H new ATOM 1244 N ALA A 81 7.833 -6.745 11.286 1.00 0.00 N ATOM 1245 CA ALA A 81 7.245 -7.891 10.647 1.00 0.00 C ATOM 1246 C ALA A 81 6.579 -7.452 9.371 1.00 0.00 C ATOM 1247 O ALA A 81 5.822 -6.477 9.356 1.00 0.00 O ATOM 1248 CB ALA A 81 6.263 -8.588 11.573 1.00 0.00 C ATOM 0 H ALA A 81 7.158 -6.087 11.675 1.00 0.00 H new ATOM 0 HA ALA A 81 8.026 -8.614 10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.833 -9.451 11.064 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.783 -8.918 12.472 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.467 -7.895 11.848 1.00 0.00 H new ATOM 1254 N MET A 82 6.869 -8.146 8.308 1.00 0.00 N ATOM 1255 CA MET A 82 6.377 -7.801 7.005 1.00 0.00 C ATOM 1256 C MET A 82 5.605 -8.978 6.444 1.00 0.00 C ATOM 1257 O MET A 82 5.812 -10.104 6.888 1.00 0.00 O ATOM 1258 CB MET A 82 7.566 -7.452 6.115 1.00 0.00 C ATOM 1259 CG MET A 82 8.379 -6.285 6.649 1.00 0.00 C ATOM 1260 SD MET A 82 9.848 -5.939 5.686 1.00 0.00 S ATOM 1261 CE MET A 82 10.764 -7.464 5.920 1.00 0.00 C ATOM 0 H MET A 82 7.461 -8.977 8.322 1.00 0.00 H new ATOM 0 HA MET A 82 5.709 -6.941 7.055 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.211 -8.325 6.020 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.207 -7.211 5.115 1.00 0.00 H new ATOM 0 HG2 MET A 82 7.751 -5.395 6.671 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.670 -6.496 7.678 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.802 -7.232 6.158 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.322 -8.032 6.739 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.725 -8.056 5.005 1.00 0.00 H new ATOM 1271 N PRO A 83 4.705 -8.760 5.472 1.00 0.00 N ATOM 1272 CA PRO A 83 4.425 -7.449 4.902 1.00 0.00 C ATOM 1273 C PRO A 83 3.431 -6.668 5.739 1.00 0.00 C ATOM 1274 O PRO A 83 2.644 -7.243 6.506 1.00 0.00 O ATOM 1275 CB PRO A 83 3.826 -7.787 3.543 1.00 0.00 C ATOM 1276 CG PRO A 83 3.114 -9.067 3.764 1.00 0.00 C ATOM 1277 CD PRO A 83 3.864 -9.801 4.852 1.00 0.00 C ATOM 0 HA PRO A 83 5.313 -6.820 4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.145 -7.007 3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.599 -7.888 2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.080 -8.888 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.086 -9.657 2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.182 -10.246 5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.468 -10.611 4.443 1.00 0.00 H new ATOM 1285 N THR A 84 3.492 -5.394 5.635 1.00 0.00 N ATOM 1286 CA THR A 84 2.586 -4.561 6.318 1.00 0.00 C ATOM 1287 C THR A 84 1.762 -3.817 5.299 1.00 0.00 C ATOM 1288 O THR A 84 2.310 -3.187 4.398 1.00 0.00 O ATOM 1289 CB THR A 84 3.336 -3.574 7.198 1.00 0.00 C ATOM 1290 OG1 THR A 84 4.216 -4.292 8.080 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.383 -2.707 8.015 1.00 0.00 C ATOM 0 H THR A 84 4.179 -4.898 5.068 1.00 0.00 H new ATOM 0 HA THR A 84 1.940 -5.164 6.956 1.00 0.00 H new ATOM 0 HB THR A 84 3.912 -2.914 6.549 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.327 -3.788 8.913 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.958 -2.015 8.631 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.737 -2.143 7.342 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.773 -3.342 8.657 1.00 0.00 H new ATOM 1299 N PHE A 85 0.474 -3.910 5.418 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.399 -3.235 4.553 1.00 0.00 C ATOM 1301 C PHE A 85 -0.939 -2.084 5.343 1.00 0.00 C ATOM 1302 O PHE A 85 -1.530 -2.283 6.396 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.554 -4.164 4.164 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.137 -5.516 3.661 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.903 -5.736 2.319 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.985 -6.575 4.546 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.522 -6.984 1.870 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.607 -7.814 4.105 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.374 -8.023 2.767 1.00 0.00 C ATOM 0 H PHE A 85 0.008 -4.468 6.133 1.00 0.00 H new ATOM 0 HA PHE A 85 0.104 -2.909 3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.200 -4.299 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.151 -3.675 3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.019 -4.925 1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.168 -6.418 5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.340 -7.148 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.492 -8.626 4.807 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.075 -9.000 2.417 1.00 0.00 H new ATOM 1319 N MET A 86 -0.720 -0.911 4.878 1.00 0.00 N ATOM 1320 CA MET A 86 -1.155 0.265 5.564 1.00 0.00 C ATOM 1321 C MET A 86 -2.220 0.941 4.746 1.00 0.00 C ATOM 1322 O MET A 86 -2.000 1.325 3.599 1.00 0.00 O ATOM 1323 CB MET A 86 0.045 1.181 5.802 1.00 0.00 C ATOM 1324 CG MET A 86 -0.242 2.519 6.465 1.00 0.00 C ATOM 1325 SD MET A 86 1.267 3.489 6.648 1.00 0.00 S ATOM 1326 CE MET A 86 0.628 4.949 7.432 1.00 0.00 C ATOM 0 H MET A 86 -0.230 -0.729 4.002 1.00 0.00 H new ATOM 0 HA MET A 86 -1.581 0.012 6.535 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.767 0.644 6.417 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.524 1.372 4.842 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.966 3.076 5.870 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.693 2.354 7.443 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.322 5.776 7.281 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.339 5.202 6.997 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.508 4.766 8.500 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.342 1.078 5.336 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.481 1.617 4.731 1.00 0.00 C ATOM 1338 C PHE A 87 -4.799 2.966 5.301 1.00 0.00 C ATOM 1339 O PHE A 87 -5.063 3.116 6.509 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.643 0.684 4.967 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.573 -0.617 4.219 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -4.850 -1.688 4.715 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.237 -0.764 3.013 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -4.791 -2.878 4.023 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.183 -1.954 2.316 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.458 -3.012 2.820 1.00 0.00 C ATOM 0 H PHE A 87 -3.493 0.801 6.306 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.296 1.731 3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.707 0.470 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.564 1.197 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.326 -1.590 5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.804 0.063 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.223 -3.706 4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.708 -2.056 1.378 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.411 -3.944 2.276 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.767 3.941 4.468 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.101 5.258 4.870 1.00 0.00 C ATOM 1358 C LEU A 88 -6.304 5.676 4.056 1.00 0.00 C ATOM 1359 O LEU A 88 -6.621 5.040 3.063 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.968 6.293 4.607 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.555 6.039 5.167 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.836 4.934 4.403 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.740 7.325 5.139 1.00 0.00 C ATOM 0 H LEU A 88 -4.508 3.848 3.486 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.283 5.245 5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.875 6.406 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.306 7.252 4.999 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.660 5.707 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.843 4.785 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.406 4.008 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.743 5.218 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.744 7.133 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.658 7.682 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.234 8.082 5.748 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.949 6.716 4.453 1.00 0.00 N ATOM 1376 CA LYS A 89 -8.043 7.248 3.704 1.00 0.00 C ATOM 1377 C LYS A 89 -7.859 8.713 3.573 1.00 0.00 C ATOM 1378 O LYS A 89 -7.795 9.423 4.572 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.379 6.987 4.380 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.565 7.540 3.604 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.863 7.435 4.372 1.00 0.00 C ATOM 1382 CE LYS A 89 -13.002 8.013 3.553 1.00 0.00 C ATOM 1383 NZ LYS A 89 -14.257 8.094 4.314 1.00 0.00 N ATOM 0 H LYS A 89 -6.735 7.227 5.309 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.055 6.757 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.508 5.913 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.367 7.430 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.377 8.585 3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.660 7.001 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.070 6.392 4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.778 7.968 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.727 9.009 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.157 7.398 2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.003 8.495 3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.537 7.142 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.120 8.703 5.146 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.713 9.156 2.336 1.00 0.00 N ATOM 1398 CA GLU A 90 -7.597 10.561 1.994 1.00 0.00 C ATOM 1399 C GLU A 90 -6.410 11.235 2.708 1.00 0.00 C ATOM 1400 O GLU A 90 -6.406 12.443 2.922 1.00 0.00 O ATOM 1401 CB GLU A 90 -8.904 11.279 2.301 1.00 0.00 C ATOM 1402 CG GLU A 90 -10.098 10.732 1.534 1.00 0.00 C ATOM 1403 CD GLU A 90 -11.380 11.438 1.870 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -12.049 11.059 2.846 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.755 12.382 1.152 1.00 0.00 O ATOM 0 H GLU A 90 -7.671 8.536 1.527 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.398 10.632 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.106 11.206 3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.789 12.338 2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.909 10.822 0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.207 9.669 1.750 1.00 0.00 H new ATOM 1412 N GLY A 91 -5.390 10.446 3.015 1.00 0.00 N ATOM 1413 CA GLY A 91 -4.216 10.960 3.707 1.00 0.00 C ATOM 1414 C GLY A 91 -4.289 10.822 5.230 1.00 0.00 C ATOM 1415 O GLY A 91 -3.395 11.280 5.939 1.00 0.00 O ATOM 0 H GLY A 91 -5.351 9.450 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.333 10.434 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.087 12.012 3.452 1.00 0.00 H new ATOM 1419 N LYS A 92 -5.344 10.215 5.727 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.475 9.936 7.154 1.00 0.00 C ATOM 1421 C LYS A 92 -5.276 8.457 7.405 1.00 0.00 C ATOM 1422 O LYS A 92 -5.874 7.636 6.727 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.852 10.377 7.675 1.00 0.00 C ATOM 1424 CG LYS A 92 -7.080 11.886 7.661 1.00 0.00 C ATOM 1425 CD LYS A 92 -6.113 12.617 8.594 1.00 0.00 C ATOM 1426 CE LYS A 92 -6.303 12.191 10.052 1.00 0.00 C ATOM 1427 NZ LYS A 92 -5.352 12.864 10.962 1.00 0.00 N ATOM 0 H LYS A 92 -6.134 9.900 5.164 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.712 10.501 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.625 9.900 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.974 10.013 8.695 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.959 12.262 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.106 12.101 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.087 12.414 8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.266 13.693 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.323 12.417 10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.177 11.111 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.519 12.544 11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.378 12.629 10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.489 13.894 10.907 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.446 8.120 8.372 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.155 6.721 8.691 1.00 0.00 C ATOM 1443 C ILE A 93 -5.373 6.057 9.312 1.00 0.00 C ATOM 1444 O ILE A 93 -5.891 6.519 10.331 1.00 0.00 O ATOM 1445 CB ILE A 93 -2.954 6.597 9.679 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.686 7.180 9.054 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -2.723 5.134 10.076 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.508 7.267 10.007 1.00 0.00 C ATOM 0 H ILE A 93 -3.954 8.795 8.958 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.894 6.223 7.757 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.195 7.164 10.578 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.402 6.569 8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.907 8.178 8.674 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.881 5.073 10.765 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.618 4.743 10.561 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.506 4.545 9.185 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.351 7.691 9.486 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.770 7.903 10.852 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.257 6.269 10.368 1.00 0.00 H new ATOM 1460 N LEU A 94 -5.842 5.002 8.704 1.00 0.00 N ATOM 1461 CA LEU A 94 -6.949 4.300 9.249 1.00 0.00 C ATOM 1462 C LEU A 94 -6.530 3.016 9.899 1.00 0.00 C ATOM 1463 O LEU A 94 -6.634 2.869 11.123 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.032 4.045 8.215 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.786 5.264 7.694 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.953 4.825 6.842 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.262 6.150 8.836 1.00 0.00 C ATOM 0 H LEU A 94 -5.470 4.618 7.835 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.371 4.946 10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.577 3.538 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.758 3.355 8.646 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.101 5.852 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.485 5.702 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.587 4.242 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.630 4.214 7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.796 7.010 8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.929 5.581 9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.403 6.494 9.412 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.025 2.108 9.122 1.00 0.00 N ATOM 1480 CA ASP A 95 -5.709 0.800 9.630 1.00 0.00 C ATOM 1481 C ASP A 95 -4.541 0.182 8.942 1.00 0.00 C ATOM 1482 O ASP A 95 -4.170 0.576 7.851 1.00 0.00 O ATOM 1483 CB ASP A 95 -6.904 -0.138 9.561 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.448 -0.350 8.174 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -8.259 0.478 7.702 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -7.101 -1.342 7.557 1.00 0.00 O ATOM 0 H ASP A 95 -5.821 2.244 8.132 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.440 0.949 10.676 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.617 -1.104 9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.699 0.258 10.193 1.00 0.00 H new ATOM 1491 N LYS A 96 -3.931 -0.748 9.611 1.00 0.00 N ATOM 1492 CA LYS A 96 -2.824 -1.485 9.057 1.00 0.00 C ATOM 1493 C LYS A 96 -2.958 -2.974 9.367 1.00 0.00 C ATOM 1494 O LYS A 96 -3.591 -3.356 10.362 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.440 -0.883 9.495 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.166 -0.790 11.012 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.967 -2.152 11.666 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.799 -2.031 13.166 1.00 0.00 C ATOM 1499 NZ LYS A 96 -0.642 -3.351 13.808 1.00 0.00 N ATOM 0 H LYS A 96 -4.184 -1.022 10.560 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.855 -1.384 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.651 -1.485 9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.357 0.119 9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.278 -0.180 11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.999 -0.279 11.495 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.822 -2.791 11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.089 -2.637 11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.072 -1.414 13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.665 -1.522 13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.530 -3.227 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.484 -3.931 13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.199 -3.827 13.423 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.409 -3.794 8.515 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.424 -5.235 8.684 1.00 0.00 C ATOM 1515 C VAL A 97 -0.997 -5.752 8.555 1.00 0.00 C ATOM 1516 O VAL A 97 -0.294 -5.393 7.612 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.322 -5.931 7.606 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.365 -7.440 7.814 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.733 -5.352 7.608 1.00 0.00 C ATOM 0 H VAL A 97 -1.930 -3.484 7.669 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.837 -5.466 9.666 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.874 -5.735 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.996 -7.895 7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.356 -7.846 7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.773 -7.660 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.334 -5.854 6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.186 -5.502 8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.689 -4.285 7.388 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.563 -6.557 9.500 1.00 0.00 N ATOM 1530 CA VAL A 98 0.782 -7.102 9.474 1.00 0.00 C ATOM 1531 C VAL A 98 0.754 -8.615 9.251 1.00 0.00 C ATOM 1532 O VAL A 98 0.145 -9.358 10.035 1.00 0.00 O ATOM 1533 CB VAL A 98 1.539 -6.791 10.772 1.00 0.00 C ATOM 1534 CG1 VAL A 98 2.941 -7.365 10.729 1.00 0.00 C ATOM 1535 CG2 VAL A 98 1.584 -5.293 11.042 1.00 0.00 C ATOM 0 H VAL A 98 -1.123 -6.851 10.300 1.00 0.00 H new ATOM 0 HA VAL A 98 1.304 -6.627 8.644 1.00 0.00 H new ATOM 0 HB VAL A 98 0.997 -7.264 11.591 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.458 -7.132 11.660 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.888 -8.447 10.605 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.487 -6.930 9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.127 -5.106 11.968 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.089 -4.790 10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.568 -4.909 11.133 1.00 0.00 H new ATOM 1545 N GLY A 99 1.408 -9.063 8.203 1.00 0.00 N ATOM 1546 CA GLY A 99 1.432 -10.468 7.878 1.00 0.00 C ATOM 1547 C GLY A 99 0.408 -10.758 6.819 1.00 0.00 C ATOM 1548 O GLY A 99 -0.764 -10.404 6.987 1.00 0.00 O ATOM 0 H GLY A 99 1.932 -8.470 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.424 -10.753 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.226 -11.061 8.769 1.00 0.00 H new ATOM 1552 N ALA A 100 0.807 -11.405 5.753 1.00 0.00 N ATOM 1553 CA ALA A 100 -0.081 -11.578 4.632 1.00 0.00 C ATOM 1554 C ALA A 100 -0.878 -12.855 4.684 1.00 0.00 C ATOM 1555 O ALA A 100 -0.341 -13.963 4.532 1.00 0.00 O ATOM 1556 CB ALA A 100 0.692 -11.525 3.327 1.00 0.00 C ATOM 0 H ALA A 100 1.733 -11.817 5.638 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.791 -10.753 4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.005 -11.658 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.190 -10.559 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.438 -12.320 3.313 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.141 -12.693 4.922 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.107 -13.698 4.756 1.00 0.00 C ATOM 1564 C LYS A 101 -4.188 -13.142 3.867 1.00 0.00 C ATOM 1565 O LYS A 101 -4.472 -11.940 3.904 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.641 -14.240 6.070 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.612 -15.075 6.832 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.204 -15.766 8.019 1.00 0.00 C ATOM 1569 CE LYS A 101 -3.671 -14.797 9.084 1.00 0.00 C ATOM 1570 NZ LYS A 101 -4.376 -15.476 10.182 1.00 0.00 N ATOM 0 H LYS A 101 -2.531 -11.810 5.252 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.651 -14.569 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.962 -13.408 6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.523 -14.850 5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.182 -15.818 6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.796 -14.431 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.046 -16.378 7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.464 -16.442 8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.812 -14.258 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.331 -14.056 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.677 -14.774 10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.211 -15.969 9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.739 -16.165 10.630 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.775 -13.977 3.080 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.711 -13.560 2.082 1.00 0.00 C ATOM 1586 C LYS A 102 -7.010 -13.005 2.690 1.00 0.00 C ATOM 1587 O LYS A 102 -7.603 -12.053 2.157 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.997 -14.746 1.178 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.866 -14.449 -0.012 1.00 0.00 C ATOM 1590 CD LYS A 102 -7.084 -15.700 -0.831 1.00 0.00 C ATOM 1591 CE LYS A 102 -7.900 -15.434 -2.082 1.00 0.00 C ATOM 1592 NZ LYS A 102 -8.111 -16.670 -2.855 1.00 0.00 N ATOM 0 H LYS A 102 -4.619 -14.985 3.109 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.275 -12.741 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.048 -15.149 0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.474 -15.527 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.825 -14.053 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.400 -13.680 -0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.118 -16.120 -1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.591 -16.447 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.864 -15.006 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.390 -14.697 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.672 -16.457 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.191 -17.064 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.619 -17.363 -2.270 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.429 -13.568 3.806 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.714 -13.205 4.400 1.00 0.00 C ATOM 1608 C ASP A 103 -8.743 -11.809 5.048 1.00 0.00 C ATOM 1609 O ASP A 103 -9.682 -11.048 4.793 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.232 -14.275 5.359 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.637 -13.981 5.854 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.609 -14.225 5.098 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.799 -13.532 7.002 1.00 0.00 O ATOM 0 H ASP A 103 -6.906 -14.276 4.322 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.400 -13.150 3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.222 -15.243 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.558 -14.351 6.212 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.734 -11.442 5.871 1.00 0.00 N ATOM 1619 CA GLU A 104 -7.759 -10.094 6.517 1.00 0.00 C ATOM 1620 C GLU A 104 -7.727 -9.012 5.493 1.00 0.00 C ATOM 1621 O GLU A 104 -8.398 -7.995 5.642 1.00 0.00 O ATOM 1622 CB GLU A 104 -6.625 -9.801 7.519 1.00 0.00 C ATOM 1623 CG GLU A 104 -6.527 -10.671 8.746 1.00 0.00 C ATOM 1624 CD GLU A 104 -6.053 -12.045 8.451 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -4.840 -12.208 8.300 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -6.881 -12.980 8.377 1.00 0.00 O ATOM 0 H GLU A 104 -6.927 -12.022 6.101 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.691 -10.112 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.679 -9.871 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.729 -8.767 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.849 -10.205 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.505 -10.726 9.224 1.00 0.00 H new ATOM 1633 N LEU A 105 -6.952 -9.225 4.454 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.810 -8.259 3.394 1.00 0.00 C ATOM 1635 C LEU A 105 -8.168 -7.956 2.792 1.00 0.00 C ATOM 1636 O LEU A 105 -8.585 -6.803 2.725 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.876 -8.795 2.332 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.501 -7.815 1.223 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.854 -6.561 1.804 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.562 -8.469 0.242 1.00 0.00 C ATOM 0 H LEU A 105 -6.403 -10.074 4.322 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.390 -7.339 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.960 -9.134 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.338 -9.671 1.877 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.414 -7.525 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.595 -5.877 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.553 -6.072 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.951 -6.837 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.303 -7.758 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.656 -8.783 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.047 -9.339 -0.201 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.861 -9.004 2.401 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.221 -8.872 1.853 1.00 0.00 C ATOM 1654 C GLN A 106 -11.169 -8.238 2.866 1.00 0.00 C ATOM 1655 O GLN A 106 -12.021 -7.420 2.510 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.786 -10.211 1.412 1.00 0.00 C ATOM 1657 CG GLN A 106 -10.020 -10.886 0.302 1.00 0.00 C ATOM 1658 CD GLN A 106 -10.692 -12.162 -0.136 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -9.926 -13.110 -0.582 1.00 0.00 O flip ATOM 1660 NE2 GLN A 106 -11.916 -12.286 -0.065 1.00 0.00 N flip ATOM 0 H GLN A 106 -8.517 -9.963 2.447 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.140 -8.223 0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.814 -10.879 2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.816 -10.066 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.935 -10.208 -0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.006 -11.104 0.638 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -12.486 -11.519 0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.359 -13.156 -0.362 1.00 0.00 H new ATOM 1669 N SER A 107 -10.996 -8.591 4.125 1.00 0.00 N ATOM 1670 CA SER A 107 -11.850 -8.071 5.182 1.00 0.00 C ATOM 1671 C SER A 107 -11.603 -6.572 5.359 1.00 0.00 C ATOM 1672 O SER A 107 -12.510 -5.807 5.703 1.00 0.00 O ATOM 1673 CB SER A 107 -11.598 -8.831 6.488 1.00 0.00 C ATOM 1674 OG SER A 107 -11.776 -10.238 6.300 1.00 0.00 O ATOM 0 H SER A 107 -10.273 -9.236 4.444 1.00 0.00 H new ATOM 0 HA SER A 107 -12.894 -8.216 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.586 -8.632 6.840 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.280 -8.474 7.259 1.00 0.00 H new ATOM 0 HG SER A 107 -11.088 -10.576 5.690 1.00 0.00 H new ATOM 1680 N THR A 108 -10.390 -6.167 5.089 1.00 0.00 N ATOM 1681 CA THR A 108 -10.005 -4.794 5.165 1.00 0.00 C ATOM 1682 C THR A 108 -10.565 -4.014 3.954 1.00 0.00 C ATOM 1683 O THR A 108 -10.883 -2.826 4.056 1.00 0.00 O ATOM 1684 CB THR A 108 -8.474 -4.679 5.244 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.015 -5.416 6.399 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.052 -3.235 5.376 1.00 0.00 C ATOM 0 H THR A 108 -9.637 -6.794 4.807 1.00 0.00 H new ATOM 0 HA THR A 108 -10.424 -4.354 6.070 1.00 0.00 H new ATOM 0 HB THR A 108 -8.038 -5.085 4.331 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.036 -6.376 6.204 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.965 -3.177 5.430 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.403 -2.673 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.484 -2.811 6.283 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.721 -4.696 2.830 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.319 -4.080 1.656 1.00 0.00 C ATOM 1696 C ILE A 109 -12.769 -3.730 1.975 1.00 0.00 C ATOM 1697 O ILE A 109 -13.218 -2.615 1.731 1.00 0.00 O ATOM 1698 CB ILE A 109 -11.283 -5.011 0.421 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.848 -5.454 0.123 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.870 -4.282 -0.787 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -9.732 -6.435 -1.025 1.00 0.00 C ATOM 0 H ILE A 109 -10.444 -5.670 2.706 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.741 -3.189 1.412 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.879 -5.899 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.246 -4.574 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.425 -5.908 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.844 -4.939 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.902 -4.000 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.284 -3.386 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.685 -6.700 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.305 -7.334 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.123 -5.979 -1.934 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.474 -4.688 2.577 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.864 -4.495 2.980 1.00 0.00 C ATOM 1715 C ALA A 110 -14.964 -3.458 4.089 1.00 0.00 C ATOM 1716 O ALA A 110 -15.959 -2.741 4.193 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.498 -5.811 3.394 1.00 0.00 C ATOM 0 H ALA A 110 -13.100 -5.611 2.797 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.419 -4.119 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.533 -5.639 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.471 -6.508 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.946 -6.232 4.234 1.00 0.00 H new ATOM 1723 N LYS A 111 -13.929 -3.390 4.910 1.00 0.00 N ATOM 1724 CA LYS A 111 -13.825 -2.395 5.963 1.00 0.00 C ATOM 1725 C LYS A 111 -13.833 -1.016 5.326 1.00 0.00 C ATOM 1726 O LYS A 111 -14.511 -0.111 5.776 1.00 0.00 O ATOM 1727 CB LYS A 111 -12.517 -2.577 6.678 1.00 0.00 C ATOM 1728 CG LYS A 111 -12.335 -1.748 7.937 1.00 0.00 C ATOM 1729 CD LYS A 111 -10.919 -1.897 8.467 1.00 0.00 C ATOM 1730 CE LYS A 111 -10.720 -1.179 9.798 1.00 0.00 C ATOM 1731 NZ LYS A 111 -11.508 -1.791 10.889 1.00 0.00 N ATOM 0 H LYS A 111 -13.134 -4.027 4.864 1.00 0.00 H new ATOM 0 HA LYS A 111 -14.655 -2.501 6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.410 -3.630 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.709 -2.337 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -12.542 -0.699 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.050 -2.066 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.689 -2.955 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.216 -1.501 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.663 -1.196 10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.005 -0.132 9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.215 -1.383 11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.519 -1.603 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.344 -2.818 10.901 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.076 -0.887 4.254 1.00 0.00 N ATOM 1746 CA HIS A 112 -12.965 0.348 3.518 1.00 0.00 C ATOM 1747 C HIS A 112 -14.108 0.571 2.546 1.00 0.00 C ATOM 1748 O HIS A 112 -14.139 1.580 1.856 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.623 0.448 2.811 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.477 0.731 3.725 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -9.956 1.987 3.902 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -9.758 -0.082 4.516 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -8.968 1.930 4.762 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -8.829 0.687 5.152 1.00 0.00 N ATOM 0 H HIS A 112 -12.516 -1.648 3.869 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.030 1.147 4.257 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.431 -0.486 2.283 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.678 1.235 2.058 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -9.891 -1.148 4.628 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.370 2.766 5.093 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.138 0.350 5.822 1.00 0.00 H new ATOM 1763 N LEU A 113 -15.048 -0.365 2.482 1.00 0.00 N ATOM 1764 CA LEU A 113 -16.212 -0.210 1.663 1.00 0.00 C ATOM 1765 C LEU A 113 -17.266 0.574 2.476 1.00 0.00 C ATOM 1766 O LEU A 113 -18.355 0.906 2.023 1.00 0.00 O ATOM 1767 CB LEU A 113 -16.647 -1.609 1.263 1.00 0.00 C ATOM 1768 CG LEU A 113 -17.579 -1.823 0.070 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -19.013 -1.380 0.309 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -17.011 -1.202 -1.197 1.00 0.00 C ATOM 0 H LEU A 113 -15.012 -1.243 2.999 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.042 0.361 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -15.741 -2.184 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -17.130 -2.056 2.132 1.00 0.00 H new ATOM 0 HG LEU A 113 -17.630 -2.903 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -19.606 -1.567 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -19.432 -1.940 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -19.031 -0.315 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -17.698 -1.373 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -16.879 -0.130 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.048 -1.658 -1.425 1.00 0.00 H new