USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ -171:sc= 0.0109 (180deg=0) USER MOD Set 1.2: A 22 TYR OH : rot 120:sc= -0.34 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.91) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -5.76! C(o=-5.8!,f=-8.1!) USER MOD Single : A 19 TYR OH : rot -67:sc= -1.69! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.11) USER MOD Single : A 30 ASN : amide:sc=-0.00862 X(o=-0.0086,f=0.21) USER MOD Single : A 31 THR OG1 : rot -118:sc= 1.21 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0177) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -86:sc= 0.0283! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -4:sc= 0.664 USER MOD Single : A 65 LYS NZ :NH3+ -153:sc= 0.0762 (180deg=0.00299) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -5.37! C(o=-5.4!,f=-5.2!) USER MOD Single : A 82 CYS SG : rot 180:sc= -3.75 USER MOD Single : A 84 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.1) USER MOD Single : A 85 ASN : amide:sc= -1.94! K(o=-1.9!,f=-1.2) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00592 USER MOD Single : A 93 SER OG : rot -130:sc= 0 USER MOD Single : A 95 SER OG : rot -76:sc= 0.992 USER MOD Single : A 104 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 2.793 -1.341 -1.403 1.00 0.00 C ATOM 4 O LEU A 7 2.233 -2.391 -1.090 1.00 0.00 O ATOM 5 CB LEU A 7 3.007 1.210 -1.310 1.00 0.00 C ATOM 6 CG LEU A 7 2.477 2.501 -0.681 1.00 0.00 C ATOM 7 CD1 LEU A 7 3.537 3.603 -0.714 1.00 0.00 C ATOM 8 CD2 LEU A 7 1.172 2.940 -1.349 1.00 0.00 C ATOM 0 HA LEU A 7 1.397 0.102 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.944 0.948 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.240 1.408 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 7 2.252 2.303 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.134 4.509 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.416 3.279 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.817 3.808 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.816 3.859 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.347 3.115 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.421 2.159 -1.229 1.00 0.00 H new ATOM 20 N SER A 8 4.024 -1.262 -1.887 1.00 0.00 N ATOM 21 CA SER A 8 4.826 -2.457 -2.090 1.00 0.00 C ATOM 22 C SER A 8 5.953 -2.512 -1.056 1.00 0.00 C ATOM 23 O SER A 8 5.946 -1.758 -0.084 1.00 0.00 O ATOM 24 CB SER A 8 5.403 -2.499 -3.506 1.00 0.00 C ATOM 25 OG SER A 8 4.999 -3.669 -4.213 1.00 0.00 O ATOM 0 H SER A 8 4.485 -0.390 -2.144 1.00 0.00 H new ATOM 0 HA SER A 8 4.182 -3.327 -1.963 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.081 -1.614 -4.055 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.491 -2.464 -3.455 1.00 0.00 H new ATOM 0 HG SER A 8 5.387 -3.658 -5.113 1.00 0.00 H new ATOM 31 N LEU A 9 6.894 -3.412 -1.301 1.00 0.00 N ATOM 32 CA LEU A 9 8.025 -3.575 -0.404 1.00 0.00 C ATOM 33 C LEU A 9 8.460 -2.204 0.116 1.00 0.00 C ATOM 34 O LEU A 9 8.925 -2.084 1.249 1.00 0.00 O ATOM 35 CB LEU A 9 9.146 -4.356 -1.092 1.00 0.00 C ATOM 36 CG LEU A 9 8.751 -5.703 -1.700 1.00 0.00 C ATOM 37 CD1 LEU A 9 9.064 -5.742 -3.197 1.00 0.00 C ATOM 38 CD2 LEU A 9 9.410 -6.860 -0.946 1.00 0.00 C ATOM 0 H LEU A 9 6.896 -4.036 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 9 7.740 -4.169 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.564 -3.732 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.941 -4.527 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 9 7.673 -5.822 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.774 -6.710 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.509 -4.953 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.133 -5.590 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.112 -7.806 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.494 -6.758 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.094 -6.842 0.097 1.00 0.00 H new ATOM 50 N THR A 10 8.294 -1.203 -0.736 1.00 0.00 N ATOM 51 CA THR A 10 8.663 0.156 -0.377 1.00 0.00 C ATOM 52 C THR A 10 8.132 0.502 1.016 1.00 0.00 C ATOM 53 O THR A 10 8.892 0.540 1.982 1.00 0.00 O ATOM 54 CB THR A 10 8.150 1.091 -1.473 1.00 0.00 C ATOM 55 OG1 THR A 10 8.894 0.713 -2.628 1.00 0.00 O ATOM 56 CG2 THR A 10 8.549 2.549 -1.233 1.00 0.00 C ATOM 0 H THR A 10 7.909 -1.306 -1.675 1.00 0.00 H new ATOM 0 HA THR A 10 9.745 0.269 -0.315 1.00 0.00 H new ATOM 0 HB THR A 10 7.064 1.017 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.623 1.269 -3.388 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.160 3.170 -2.040 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.136 2.888 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.636 2.629 -1.205 1.00 0.00 H new ATOM 64 N GLN A 11 6.831 0.746 1.074 1.00 0.00 N ATOM 65 CA GLN A 11 6.190 1.089 2.332 1.00 0.00 C ATOM 66 C GLN A 11 6.435 -0.010 3.368 1.00 0.00 C ATOM 67 O GLN A 11 6.491 0.264 4.566 1.00 0.00 O ATOM 68 CB GLN A 11 4.692 1.333 2.135 1.00 0.00 C ATOM 69 CG GLN A 11 4.318 2.770 2.503 1.00 0.00 C ATOM 70 CD GLN A 11 3.262 2.795 3.610 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.196 1.923 4.460 1.00 0.00 O ATOM 72 NE2 GLN A 11 2.443 3.842 3.553 1.00 0.00 N ATOM 0 H GLN A 11 6.204 0.713 0.270 1.00 0.00 H new ATOM 0 HA GLN A 11 6.630 2.015 2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.421 1.137 1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.122 0.636 2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.207 3.308 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.939 3.288 1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.554 4.536 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.705 3.950 4.248 1.00 0.00 H new ATOM 81 N LEU A 12 6.573 -1.229 2.870 1.00 0.00 N ATOM 82 CA LEU A 12 6.810 -2.370 3.738 1.00 0.00 C ATOM 83 C LEU A 12 8.088 -2.134 4.545 1.00 0.00 C ATOM 84 O LEU A 12 8.334 -2.816 5.539 1.00 0.00 O ATOM 85 CB LEU A 12 6.826 -3.667 2.927 1.00 0.00 C ATOM 86 CG LEU A 12 6.336 -4.920 3.655 1.00 0.00 C ATOM 87 CD1 LEU A 12 7.100 -5.127 4.965 1.00 0.00 C ATOM 88 CD2 LEU A 12 4.823 -4.870 3.876 1.00 0.00 C ATOM 0 H LEU A 12 6.525 -1.452 1.876 1.00 0.00 H new ATOM 0 HA LEU A 12 5.995 -2.479 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.212 -3.524 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.845 -3.845 2.584 1.00 0.00 H new ATOM 0 HG LEU A 12 6.540 -5.784 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.732 -6.024 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.163 -5.240 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.949 -4.264 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.501 -5.773 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.572 -3.996 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.317 -4.805 2.913 1.00 0.00 H new ATOM 100 N SER A 13 8.869 -1.166 4.087 1.00 0.00 N ATOM 101 CA SER A 13 10.116 -0.832 4.754 1.00 0.00 C ATOM 102 C SER A 13 10.407 0.662 4.602 1.00 0.00 C ATOM 103 O SER A 13 11.561 1.083 4.663 1.00 0.00 O ATOM 104 CB SER A 13 11.277 -1.658 4.197 1.00 0.00 C ATOM 105 OG SER A 13 11.786 -2.580 5.158 1.00 0.00 O ATOM 0 H SER A 13 8.662 -0.603 3.262 1.00 0.00 H new ATOM 0 HA SER A 13 10.012 -1.069 5.813 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.944 -2.202 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.076 -0.990 3.877 1.00 0.00 H new ATOM 0 HG SER A 13 12.525 -3.089 4.764 1.00 0.00 H new ATOM 111 N SER A 14 9.340 1.423 4.406 1.00 0.00 N ATOM 112 CA SER A 14 9.466 2.862 4.244 1.00 0.00 C ATOM 113 C SER A 14 10.446 3.177 3.112 1.00 0.00 C ATOM 114 O SER A 14 10.952 4.294 3.018 1.00 0.00 O ATOM 115 CB SER A 14 9.926 3.524 5.544 1.00 0.00 C ATOM 116 OG SER A 14 9.032 4.551 5.966 1.00 0.00 O ATOM 0 H SER A 14 8.384 1.070 4.356 1.00 0.00 H new ATOM 0 HA SER A 14 8.486 3.265 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.006 2.769 6.326 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.922 3.945 5.404 1.00 0.00 H new ATOM 0 HG SER A 14 9.360 4.948 6.800 1.00 0.00 H new ATOM 122 N GLY A 15 10.683 2.173 2.281 1.00 0.00 N ATOM 123 CA GLY A 15 11.593 2.329 1.159 1.00 0.00 C ATOM 124 C GLY A 15 13.011 1.896 1.539 1.00 0.00 C ATOM 125 O GLY A 15 13.972 2.623 1.295 1.00 0.00 O ATOM 0 H GLY A 15 10.261 1.248 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.241 1.735 0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.601 3.370 0.835 1.00 0.00 H new ATOM 129 N ASN A 16 13.095 0.713 2.129 1.00 0.00 N ATOM 130 CA ASN A 16 14.379 0.174 2.544 1.00 0.00 C ATOM 131 C ASN A 16 14.736 -1.023 1.660 1.00 0.00 C ATOM 132 O ASN A 16 14.230 -2.125 1.866 1.00 0.00 O ATOM 133 CB ASN A 16 14.330 -0.309 3.995 1.00 0.00 C ATOM 134 CG ASN A 16 15.673 -0.086 4.693 1.00 0.00 C ATOM 135 OD1 ASN A 16 16.630 0.403 4.114 1.00 0.00 O ATOM 136 ND2 ASN A 16 15.692 -0.469 5.966 1.00 0.00 N ATOM 0 H ASN A 16 12.295 0.113 2.330 1.00 0.00 H new ATOM 0 HA ASN A 16 15.122 0.966 2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.544 0.222 4.532 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.074 -1.368 4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.543 -0.361 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.856 -0.871 6.390 1.00 0.00 H new ATOM 143 N PRO A 17 15.627 -0.758 0.667 1.00 0.00 N ATOM 144 CA PRO A 17 16.056 -1.800 -0.250 1.00 0.00 C ATOM 145 C PRO A 17 17.042 -2.754 0.427 1.00 0.00 C ATOM 146 O PRO A 17 17.278 -3.859 -0.061 1.00 0.00 O ATOM 147 CB PRO A 17 16.663 -1.060 -1.431 1.00 0.00 C ATOM 148 CG PRO A 17 16.972 0.342 -0.930 1.00 0.00 C ATOM 149 CD PRO A 17 16.246 0.535 0.392 1.00 0.00 C ATOM 0 HA PRO A 17 15.234 -2.437 -0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 17 17.567 -1.558 -1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 17 15.970 -1.030 -2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 17 18.046 0.472 -0.798 1.00 0.00 H new ATOM 0 HG3 PRO A 17 16.647 1.087 -1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 17 16.937 0.820 1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 17 15.498 1.325 0.322 1.00 0.00 H new ATOM 157 N VAL A 18 17.591 -2.294 1.542 1.00 0.00 N ATOM 158 CA VAL A 18 18.546 -3.092 2.291 1.00 0.00 C ATOM 159 C VAL A 18 18.052 -4.539 2.359 1.00 0.00 C ATOM 160 O VAL A 18 18.847 -5.474 2.277 1.00 0.00 O ATOM 161 CB VAL A 18 18.776 -2.474 3.672 1.00 0.00 C ATOM 162 CG1 VAL A 18 17.470 -2.402 4.465 1.00 0.00 C ATOM 163 CG2 VAL A 18 19.847 -3.245 4.446 1.00 0.00 C ATOM 0 H VAL A 18 17.392 -1.378 1.945 1.00 0.00 H new ATOM 0 HA VAL A 18 19.513 -3.101 1.789 1.00 0.00 H new ATOM 0 HB VAL A 18 19.136 -1.455 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 18 17.662 -1.959 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 18 16.749 -1.789 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.067 -3.407 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 18 19.991 -2.785 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.529 -4.280 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.785 -3.220 3.892 1.00 0.00 H new ATOM 173 N TYR A 19 16.743 -4.677 2.507 1.00 0.00 N ATOM 174 CA TYR A 19 16.134 -5.994 2.587 1.00 0.00 C ATOM 175 C TYR A 19 16.295 -6.753 1.268 1.00 0.00 C ATOM 176 O TYR A 19 16.627 -7.937 1.266 1.00 0.00 O ATOM 177 CB TYR A 19 14.645 -5.755 2.846 1.00 0.00 C ATOM 178 CG TYR A 19 14.204 -6.068 4.277 1.00 0.00 C ATOM 179 CD1 TYR A 19 15.113 -5.985 5.313 1.00 0.00 C ATOM 180 CD2 TYR A 19 12.898 -6.433 4.533 1.00 0.00 C ATOM 181 CE1 TYR A 19 14.698 -6.279 6.660 1.00 0.00 C ATOM 182 CE2 TYR A 19 12.483 -6.727 5.880 1.00 0.00 C ATOM 183 CZ TYR A 19 13.404 -6.636 6.877 1.00 0.00 C ATOM 184 OH TYR A 19 13.012 -6.914 8.150 1.00 0.00 O ATOM 0 H TYR A 19 16.087 -3.899 2.574 1.00 0.00 H new ATOM 0 HA TYR A 19 16.604 -6.588 3.371 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.411 -4.714 2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.064 -6.367 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.135 -5.700 5.113 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.187 -6.498 3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 19 15.399 -6.217 7.480 1.00 0.00 H new ATOM 0 HE2 TYR A 19 11.464 -7.013 6.094 1.00 0.00 H new ATOM 0 HH TYR A 19 13.457 -7.731 8.458 1.00 0.00 H new ATOM 194 N GLU A 20 16.051 -6.040 0.179 1.00 0.00 N ATOM 195 CA GLU A 20 16.164 -6.632 -1.144 1.00 0.00 C ATOM 196 C GLU A 20 17.453 -7.449 -1.251 1.00 0.00 C ATOM 197 O GLU A 20 17.485 -8.480 -1.921 1.00 0.00 O ATOM 198 CB GLU A 20 16.103 -5.558 -2.232 1.00 0.00 C ATOM 199 CG GLU A 20 14.863 -5.737 -3.110 1.00 0.00 C ATOM 200 CD GLU A 20 15.216 -6.445 -4.419 1.00 0.00 C ATOM 201 OE1 GLU A 20 16.302 -6.219 -4.973 1.00 0.00 O ATOM 202 OE2 GLU A 20 14.315 -7.256 -4.860 1.00 0.00 O ATOM 0 H GLU A 20 15.775 -5.058 0.185 1.00 0.00 H new ATOM 0 HA GLU A 20 15.318 -7.303 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.088 -4.570 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.000 -5.609 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.112 -6.314 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.422 -4.764 -3.326 1.00 0.00 H new ATOM 210 N LYS A 21 18.485 -6.957 -0.581 1.00 0.00 N ATOM 211 CA LYS A 21 19.773 -7.629 -0.592 1.00 0.00 C ATOM 212 C LYS A 21 19.616 -9.035 -0.009 1.00 0.00 C ATOM 213 O LYS A 21 20.148 -10.000 -0.556 1.00 0.00 O ATOM 214 CB LYS A 21 20.826 -6.781 0.124 1.00 0.00 C ATOM 215 CG LYS A 21 21.094 -7.314 1.533 1.00 0.00 C ATOM 216 CD LYS A 21 22.049 -6.393 2.296 1.00 0.00 C ATOM 217 CE LYS A 21 23.279 -7.161 2.783 1.00 0.00 C ATOM 218 NZ LYS A 21 23.873 -6.494 3.963 1.00 0.00 N ATOM 0 H LYS A 21 18.455 -6.101 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 21 20.132 -7.746 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 21 21.752 -6.782 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 21 20.488 -5.746 0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.154 -7.400 2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 21 21.520 -8.315 1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.361 -5.572 1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.531 -5.951 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.999 -8.183 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 21 24.017 -7.223 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 24.787 -6.936 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 24.017 -5.485 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.232 -6.592 4.776 1.00 0.00 H new ATOM 229 N TYR A 22 18.883 -9.106 1.092 1.00 0.00 N ATOM 230 CA TYR A 22 18.649 -10.378 1.754 1.00 0.00 C ATOM 231 C TYR A 22 17.627 -11.217 0.985 1.00 0.00 C ATOM 232 O TYR A 22 17.799 -12.425 0.832 1.00 0.00 O ATOM 233 CB TYR A 22 18.077 -10.037 3.132 1.00 0.00 C ATOM 234 CG TYR A 22 19.011 -9.193 4.002 1.00 0.00 C ATOM 235 CD1 TYR A 22 20.369 -9.434 3.991 1.00 0.00 C ATOM 236 CD2 TYR A 22 18.494 -8.191 4.798 1.00 0.00 C ATOM 237 CE1 TYR A 22 21.248 -8.641 4.810 1.00 0.00 C ATOM 238 CE2 TYR A 22 19.373 -7.397 5.617 1.00 0.00 C ATOM 239 CZ TYR A 22 20.707 -7.661 5.583 1.00 0.00 C ATOM 240 OH TYR A 22 21.537 -6.912 6.356 1.00 0.00 O ATOM 0 H TYR A 22 18.443 -8.303 1.542 1.00 0.00 H new ATOM 0 HA TYR A 22 19.572 -10.954 1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 22 17.137 -9.502 3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 22 17.846 -10.964 3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 22 20.773 -10.218 3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 22 17.431 -8.002 4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 22 22.313 -8.820 4.811 1.00 0.00 H new ATOM 0 HE2 TYR A 22 18.982 -6.610 6.244 1.00 0.00 H new ATOM 0 HH TYR A 22 21.463 -5.970 6.097 1.00 0.00 H new ATOM 250 N TYR A 23 16.585 -10.543 0.520 1.00 0.00 N ATOM 251 CA TYR A 23 15.536 -11.212 -0.230 1.00 0.00 C ATOM 252 C TYR A 23 16.117 -11.989 -1.413 1.00 0.00 C ATOM 253 O TYR A 23 15.607 -13.048 -1.775 1.00 0.00 O ATOM 254 CB TYR A 23 14.626 -10.103 -0.762 1.00 0.00 C ATOM 255 CG TYR A 23 13.704 -10.546 -1.901 1.00 0.00 C ATOM 256 CD1 TYR A 23 14.142 -10.481 -3.208 1.00 0.00 C ATOM 257 CD2 TYR A 23 12.435 -11.011 -1.620 1.00 0.00 C ATOM 258 CE1 TYR A 23 13.275 -10.899 -4.279 1.00 0.00 C ATOM 259 CE2 TYR A 23 11.568 -11.428 -2.691 1.00 0.00 C ATOM 260 CZ TYR A 23 12.031 -11.351 -3.968 1.00 0.00 C ATOM 261 OH TYR A 23 11.212 -11.746 -4.980 1.00 0.00 O ATOM 0 H TYR A 23 16.445 -9.541 0.648 1.00 0.00 H new ATOM 0 HA TYR A 23 15.005 -11.922 0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 23 14.017 -9.723 0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.244 -9.276 -1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 23 15.135 -10.117 -3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.093 -11.062 -0.597 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.605 -10.854 -5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.573 -11.794 -2.485 1.00 0.00 H new ATOM 0 HH TYR A 23 10.356 -12.046 -4.610 1.00 0.00 H new ATOM 271 N ARG A 24 17.176 -11.433 -1.982 1.00 0.00 N ATOM 272 CA ARG A 24 17.832 -12.061 -3.116 1.00 0.00 C ATOM 273 C ARG A 24 18.758 -13.182 -2.640 1.00 0.00 C ATOM 274 O ARG A 24 19.005 -14.140 -3.371 1.00 0.00 O ATOM 275 CB ARG A 24 18.647 -11.041 -3.915 1.00 0.00 C ATOM 276 CG ARG A 24 19.017 -11.594 -5.293 1.00 0.00 C ATOM 277 CD ARG A 24 18.138 -10.979 -6.384 1.00 0.00 C ATOM 278 NE ARG A 24 18.512 -9.563 -6.598 1.00 0.00 N ATOM 279 CZ ARG A 24 17.781 -8.688 -7.320 1.00 0.00 C ATOM 280 NH1 ARG A 24 16.627 -9.076 -7.904 1.00 0.00 N ATOM 281 NH2 ARG A 24 18.211 -7.446 -7.446 1.00 0.00 N ATOM 0 H ARG A 24 17.596 -10.554 -1.679 1.00 0.00 H new ATOM 0 HA ARG A 24 17.056 -12.475 -3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.073 -10.121 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.553 -10.784 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 24 20.065 -11.383 -5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 24 18.903 -12.678 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.252 -11.538 -7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.088 -11.047 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 24 19.376 -9.227 -6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.301 -10.037 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.081 -8.408 -8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 24 19.083 -7.161 -7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.671 -6.772 -7.988 1.00 0.00 H new ATOM 294 N GLN A 25 19.244 -13.026 -1.418 1.00 0.00 N ATOM 295 CA GLN A 25 20.137 -14.013 -0.835 1.00 0.00 C ATOM 296 C GLN A 25 19.426 -15.362 -0.709 1.00 0.00 C ATOM 297 O GLN A 25 20.047 -16.412 -0.869 1.00 0.00 O ATOM 298 CB GLN A 25 20.665 -13.542 0.521 1.00 0.00 C ATOM 299 CG GLN A 25 22.045 -12.896 0.379 1.00 0.00 C ATOM 300 CD GLN A 25 23.114 -13.722 1.097 1.00 0.00 C ATOM 301 OE1 GLN A 25 24.147 -14.062 0.546 1.00 0.00 O ATOM 302 NE2 GLN A 25 22.808 -14.025 2.356 1.00 0.00 N ATOM 0 H GLN A 25 19.036 -12.230 -0.815 1.00 0.00 H new ATOM 0 HA GLN A 25 20.994 -14.136 -1.498 1.00 0.00 H new ATOM 0 HB2 GLN A 25 19.968 -12.827 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 25 20.724 -14.388 1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 25 22.300 -12.803 -0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 25 22.022 -11.887 0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 25 21.925 -13.708 2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 25 23.456 -14.574 2.921 1.00 0.00 H new ATOM 311 N VAL A 26 18.135 -15.290 -0.423 1.00 0.00 N ATOM 312 CA VAL A 26 17.333 -16.493 -0.273 1.00 0.00 C ATOM 313 C VAL A 26 16.863 -16.962 -1.652 1.00 0.00 C ATOM 314 O VAL A 26 16.867 -18.158 -1.939 1.00 0.00 O ATOM 315 CB VAL A 26 16.178 -16.234 0.696 1.00 0.00 C ATOM 316 CG1 VAL A 26 16.568 -15.194 1.749 1.00 0.00 C ATOM 317 CG2 VAL A 26 14.916 -15.807 -0.056 1.00 0.00 C ATOM 0 H VAL A 26 17.624 -14.417 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 26 17.928 -17.298 0.159 1.00 0.00 H new ATOM 0 HB VAL A 26 15.959 -17.168 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.729 -15.028 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.426 -15.555 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.827 -14.257 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.110 -15.629 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.116 -14.892 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.621 -16.595 -0.748 1.00 0.00 H new ATOM 327 N GLU A 27 16.469 -15.995 -2.468 1.00 0.00 N ATOM 328 CA GLU A 27 15.997 -16.294 -3.809 1.00 0.00 C ATOM 329 C GLU A 27 16.834 -17.415 -4.429 1.00 0.00 C ATOM 330 O GLU A 27 18.030 -17.247 -4.660 1.00 0.00 O ATOM 331 CB GLU A 27 16.019 -15.043 -4.690 1.00 0.00 C ATOM 332 CG GLU A 27 15.466 -15.344 -6.084 1.00 0.00 C ATOM 333 CD GLU A 27 15.819 -14.227 -7.067 1.00 0.00 C ATOM 334 OE1 GLU A 27 14.974 -13.367 -7.358 1.00 0.00 O ATOM 335 OE2 GLU A 27 17.021 -14.271 -7.534 1.00 0.00 O ATOM 0 H GLU A 27 16.467 -15.004 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 27 14.963 -16.633 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.428 -14.255 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 27 17.040 -14.670 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.871 -16.290 -6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.383 -15.459 -6.032 1.00 0.00 H new ATOM 343 N ALA A 28 16.171 -18.535 -4.680 1.00 0.00 N ATOM 344 CA ALA A 28 16.839 -19.684 -5.268 1.00 0.00 C ATOM 345 C ALA A 28 17.478 -19.272 -6.596 1.00 0.00 C ATOM 346 O ALA A 28 16.775 -18.950 -7.553 1.00 0.00 O ATOM 347 CB ALA A 28 15.837 -20.828 -5.433 1.00 0.00 C ATOM 0 H ALA A 28 15.179 -18.671 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 28 17.636 -20.041 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.338 -21.690 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.434 -21.102 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.024 -20.508 -6.085 1.00 0.00 H new ATOM 353 N GLY A 29 18.802 -19.296 -6.612 1.00 0.00 N ATOM 354 CA GLY A 29 19.543 -18.930 -7.806 1.00 0.00 C ATOM 355 C GLY A 29 19.100 -17.561 -8.328 1.00 0.00 C ATOM 356 O GLY A 29 18.419 -16.816 -7.626 1.00 0.00 O ATOM 0 H GLY A 29 19.381 -19.564 -5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.610 -18.911 -7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 29 19.391 -19.684 -8.578 1.00 0.00 H new ATOM 360 N ASN A 30 19.505 -17.273 -9.556 1.00 0.00 N ATOM 361 CA ASN A 30 19.158 -16.007 -10.181 1.00 0.00 C ATOM 362 C ASN A 30 17.870 -16.178 -10.988 1.00 0.00 C ATOM 363 O ASN A 30 17.708 -15.564 -12.042 1.00 0.00 O ATOM 364 CB ASN A 30 20.259 -15.545 -11.138 1.00 0.00 C ATOM 365 CG ASN A 30 20.421 -14.024 -11.093 1.00 0.00 C ATOM 366 OD1 ASN A 30 19.509 -13.268 -11.385 1.00 0.00 O ATOM 367 ND2 ASN A 30 21.629 -13.620 -10.713 1.00 0.00 N ATOM 0 H ASN A 30 20.070 -17.894 -10.135 1.00 0.00 H new ATOM 0 HA ASN A 30 19.031 -15.265 -9.393 1.00 0.00 H new ATOM 0 HB2 ASN A 30 21.202 -16.023 -10.871 1.00 0.00 H new ATOM 0 HB3 ASN A 30 20.018 -15.859 -12.154 1.00 0.00 H new ATOM 0 HD21 ASN A 30 21.838 -12.623 -10.652 1.00 0.00 H new ATOM 0 HD22 ASN A 30 22.347 -14.307 -10.483 1.00 0.00 H new ATOM 374 N THR A 31 16.987 -17.015 -10.464 1.00 0.00 N ATOM 375 CA THR A 31 15.719 -17.275 -11.124 1.00 0.00 C ATOM 376 C THR A 31 14.893 -15.990 -11.216 1.00 0.00 C ATOM 377 O THR A 31 14.297 -15.705 -12.254 1.00 0.00 O ATOM 378 CB THR A 31 15.011 -18.398 -10.363 1.00 0.00 C ATOM 379 OG1 THR A 31 14.980 -17.937 -9.014 1.00 0.00 O ATOM 380 CG2 THR A 31 15.845 -19.679 -10.300 1.00 0.00 C ATOM 0 H THR A 31 17.125 -17.522 -9.590 1.00 0.00 H new ATOM 0 HA THR A 31 15.869 -17.604 -12.152 1.00 0.00 H new ATOM 0 HB THR A 31 14.054 -18.611 -10.839 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.485 -18.555 -8.445 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.297 -20.443 -9.749 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.045 -20.033 -11.311 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.789 -19.474 -9.794 1.00 0.00 H new ATOM 388 N GLY A 32 14.886 -15.249 -10.118 1.00 0.00 N ATOM 389 CA GLY A 32 14.143 -14.001 -10.063 1.00 0.00 C ATOM 390 C GLY A 32 12.924 -14.129 -9.148 1.00 0.00 C ATOM 391 O GLY A 32 12.162 -13.176 -8.986 1.00 0.00 O ATOM 0 H GLY A 32 15.383 -15.488 -9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.792 -13.203 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.822 -13.720 -11.066 1.00 0.00 H new ATOM 395 N ARG A 33 12.777 -15.313 -8.573 1.00 0.00 N ATOM 396 CA ARG A 33 11.663 -15.578 -7.678 1.00 0.00 C ATOM 397 C ARG A 33 12.151 -16.305 -6.423 1.00 0.00 C ATOM 398 O ARG A 33 13.028 -17.164 -6.501 1.00 0.00 O ATOM 399 CB ARG A 33 10.593 -16.427 -8.367 1.00 0.00 C ATOM 400 CG ARG A 33 9.803 -15.597 -9.381 1.00 0.00 C ATOM 401 CD ARG A 33 10.265 -15.890 -10.809 1.00 0.00 C ATOM 402 NE ARG A 33 10.430 -14.625 -11.558 1.00 0.00 N ATOM 403 CZ ARG A 33 10.593 -14.553 -12.897 1.00 0.00 C ATOM 404 NH1 ARG A 33 10.613 -15.676 -13.646 1.00 0.00 N ATOM 405 NH2 ARG A 33 10.731 -13.368 -13.462 1.00 0.00 N ATOM 0 H ARG A 33 13.411 -16.100 -8.709 1.00 0.00 H new ATOM 0 HA ARG A 33 11.226 -14.619 -7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.063 -17.272 -8.871 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.914 -16.838 -7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.740 -15.817 -9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.929 -14.536 -9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.208 -16.436 -10.790 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.538 -16.527 -11.312 1.00 0.00 H new ATOM 0 HE ARG A 33 10.420 -13.752 -11.030 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.505 -16.588 -13.201 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.737 -15.613 -14.657 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.714 -12.525 -12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.855 -13.296 -14.472 1.00 0.00 H new ATOM 418 N VAL A 34 11.562 -15.933 -5.296 1.00 0.00 N ATOM 419 CA VAL A 34 11.925 -16.539 -4.026 1.00 0.00 C ATOM 420 C VAL A 34 11.154 -17.848 -3.851 1.00 0.00 C ATOM 421 O VAL A 34 9.956 -17.834 -3.571 1.00 0.00 O ATOM 422 CB VAL A 34 11.687 -15.547 -2.886 1.00 0.00 C ATOM 423 CG1 VAL A 34 11.593 -16.271 -1.541 1.00 0.00 C ATOM 424 CG2 VAL A 34 12.777 -14.474 -2.856 1.00 0.00 C ATOM 0 H VAL A 34 10.836 -15.219 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 34 12.987 -16.784 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 34 10.734 -15.050 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.424 -15.543 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.765 -16.980 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.523 -16.806 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.584 -13.782 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.749 -14.946 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 34 12.776 -13.928 -3.800 1.00 0.00 H new ATOM 434 N LEU A 35 11.871 -18.949 -4.024 1.00 0.00 N ATOM 435 CA LEU A 35 11.268 -20.264 -3.889 1.00 0.00 C ATOM 436 C LEU A 35 10.657 -20.398 -2.493 1.00 0.00 C ATOM 437 O LEU A 35 9.854 -21.297 -2.247 1.00 0.00 O ATOM 438 CB LEU A 35 12.286 -21.356 -4.222 1.00 0.00 C ATOM 439 CG LEU A 35 11.994 -22.185 -5.475 1.00 0.00 C ATOM 440 CD1 LEU A 35 13.158 -23.127 -5.793 1.00 0.00 C ATOM 441 CD2 LEU A 35 10.669 -22.937 -5.338 1.00 0.00 C ATOM 0 H LEU A 35 12.864 -18.957 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 35 10.456 -20.387 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.264 -20.890 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.355 -22.033 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 35 11.892 -21.503 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.925 -23.704 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.062 -22.543 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.317 -23.805 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.485 -23.518 -6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.718 -23.607 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.858 -22.223 -5.195 1.00 0.00 H new ATOM 453 N ALA A 36 11.060 -19.492 -1.615 1.00 0.00 N ATOM 454 CA ALA A 36 10.562 -19.498 -0.250 1.00 0.00 C ATOM 455 C ALA A 36 11.417 -20.444 0.596 1.00 0.00 C ATOM 456 O ALA A 36 11.904 -20.064 1.659 1.00 0.00 O ATOM 457 CB ALA A 36 9.083 -19.889 -0.248 1.00 0.00 C ATOM 0 H ALA A 36 11.726 -18.748 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 36 10.637 -18.504 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.709 -19.894 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.516 -19.169 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.969 -20.883 -0.680 1.00 0.00 H new ATOM 463 N LEU A 37 11.573 -21.660 0.092 1.00 0.00 N ATOM 464 CA LEU A 37 12.360 -22.663 0.788 1.00 0.00 C ATOM 465 C LEU A 37 13.583 -21.997 1.421 1.00 0.00 C ATOM 466 O LEU A 37 13.888 -22.233 2.589 1.00 0.00 O ATOM 467 CB LEU A 37 12.707 -23.819 -0.153 1.00 0.00 C ATOM 468 CG LEU A 37 11.592 -24.836 -0.406 1.00 0.00 C ATOM 469 CD1 LEU A 37 11.237 -25.591 0.876 1.00 0.00 C ATOM 470 CD2 LEU A 37 10.369 -24.163 -1.033 1.00 0.00 C ATOM 0 H LEU A 37 11.167 -21.973 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 37 11.782 -23.105 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.015 -23.401 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.568 -24.348 0.255 1.00 0.00 H new ATOM 0 HG LEU A 37 11.957 -25.572 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.442 -26.307 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.117 -26.121 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.899 -24.884 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.591 -24.907 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.993 -23.392 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.651 -23.709 -1.983 1.00 0.00 H new ATOM 482 N ASP A 38 14.251 -21.178 0.622 1.00 0.00 N ATOM 483 CA ASP A 38 15.434 -20.476 1.090 1.00 0.00 C ATOM 484 C ASP A 38 15.016 -19.382 2.075 1.00 0.00 C ATOM 485 O ASP A 38 15.632 -19.222 3.127 1.00 0.00 O ATOM 486 CB ASP A 38 16.173 -19.809 -0.072 1.00 0.00 C ATOM 487 CG ASP A 38 17.681 -20.067 -0.112 1.00 0.00 C ATOM 488 OD1 ASP A 38 18.439 -19.550 0.723 1.00 0.00 O ATOM 489 OD2 ASP A 38 18.076 -20.844 -1.062 1.00 0.00 O ATOM 0 H ASP A 38 13.996 -20.985 -0.346 1.00 0.00 H new ATOM 0 HA ASP A 38 16.092 -21.203 1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.735 -20.156 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.005 -18.733 -0.020 1.00 0.00 H new ATOM 495 N ALA A 39 13.973 -18.657 1.698 1.00 0.00 N ATOM 496 CA ALA A 39 13.466 -17.583 2.535 1.00 0.00 C ATOM 497 C ALA A 39 13.357 -18.076 3.979 1.00 0.00 C ATOM 498 O ALA A 39 13.813 -17.406 4.904 1.00 0.00 O ATOM 499 CB ALA A 39 12.125 -17.095 1.983 1.00 0.00 C ATOM 0 H ALA A 39 13.465 -18.792 0.824 1.00 0.00 H new ATOM 0 HA ALA A 39 14.150 -16.735 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.745 -16.289 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.262 -16.728 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.412 -17.919 1.979 1.00 0.00 H new ATOM 505 N ALA A 40 12.750 -19.245 4.128 1.00 0.00 N ATOM 506 CA ALA A 40 12.575 -19.835 5.444 1.00 0.00 C ATOM 507 C ALA A 40 13.948 -20.107 6.063 1.00 0.00 C ATOM 508 O ALA A 40 14.111 -20.028 7.279 1.00 0.00 O ATOM 509 CB ALA A 40 11.728 -21.104 5.326 1.00 0.00 C ATOM 0 H ALA A 40 12.373 -19.799 3.359 1.00 0.00 H new ATOM 0 HA ALA A 40 12.045 -19.149 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.597 -21.547 6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.753 -20.853 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.230 -21.817 4.672 1.00 0.00 H new ATOM 515 N ALA A 41 14.900 -20.421 5.197 1.00 0.00 N ATOM 516 CA ALA A 41 16.253 -20.704 5.643 1.00 0.00 C ATOM 517 C ALA A 41 16.868 -19.434 6.234 1.00 0.00 C ATOM 518 O ALA A 41 17.343 -19.439 7.369 1.00 0.00 O ATOM 519 CB ALA A 41 17.071 -21.258 4.475 1.00 0.00 C ATOM 0 H ALA A 41 14.761 -20.486 4.189 1.00 0.00 H new ATOM 0 HA ALA A 41 16.247 -21.462 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 41 18.086 -21.470 4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 41 16.610 -22.176 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 41 17.101 -20.523 3.671 1.00 0.00 H new ATOM 525 N PHE A 42 16.838 -18.375 5.438 1.00 0.00 N ATOM 526 CA PHE A 42 17.386 -17.100 5.868 1.00 0.00 C ATOM 527 C PHE A 42 16.687 -16.601 7.134 1.00 0.00 C ATOM 528 O PHE A 42 17.342 -16.164 8.079 1.00 0.00 O ATOM 529 CB PHE A 42 17.137 -16.102 4.735 1.00 0.00 C ATOM 530 CG PHE A 42 17.292 -14.637 5.151 1.00 0.00 C ATOM 531 CD1 PHE A 42 18.360 -14.252 5.899 1.00 0.00 C ATOM 532 CD2 PHE A 42 16.361 -13.721 4.773 1.00 0.00 C ATOM 533 CE1 PHE A 42 18.504 -12.893 6.286 1.00 0.00 C ATOM 534 CE2 PHE A 42 16.504 -12.362 5.160 1.00 0.00 C ATOM 535 CZ PHE A 42 17.572 -11.977 5.908 1.00 0.00 C ATOM 0 H PHE A 42 16.443 -18.374 4.498 1.00 0.00 H new ATOM 0 HA PHE A 42 18.448 -17.207 6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 42 17.829 -16.313 3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.130 -16.254 4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.099 -14.980 6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 42 15.513 -14.027 4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 42 19.353 -12.587 6.880 1.00 0.00 H new ATOM 0 HE2 PHE A 42 15.764 -11.634 4.860 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.681 -10.944 6.202 1.00 0.00 H new ATOM 545 N LEU A 43 15.364 -16.683 7.112 1.00 0.00 N ATOM 546 CA LEU A 43 14.569 -16.246 8.247 1.00 0.00 C ATOM 547 C LEU A 43 15.150 -16.841 9.531 1.00 0.00 C ATOM 548 O LEU A 43 15.357 -16.127 10.511 1.00 0.00 O ATOM 549 CB LEU A 43 13.092 -16.581 8.027 1.00 0.00 C ATOM 550 CG LEU A 43 12.373 -15.768 6.949 1.00 0.00 C ATOM 551 CD1 LEU A 43 11.112 -16.489 6.468 1.00 0.00 C ATOM 552 CD2 LEU A 43 12.071 -14.351 7.441 1.00 0.00 C ATOM 0 H LEU A 43 14.824 -17.045 6.327 1.00 0.00 H new ATOM 0 HA LEU A 43 14.615 -15.162 8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.014 -17.637 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.564 -16.443 8.971 1.00 0.00 H new ATOM 0 HG LEU A 43 13.038 -15.676 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.620 -15.890 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.384 -17.459 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.432 -16.633 7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.560 -13.794 6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.434 -14.401 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.004 -13.847 7.694 1.00 0.00 H new ATOM 564 N LYS A 44 15.397 -18.141 9.484 1.00 0.00 N ATOM 565 CA LYS A 44 15.950 -18.840 10.632 1.00 0.00 C ATOM 566 C LYS A 44 17.150 -18.058 11.170 1.00 0.00 C ATOM 567 O LYS A 44 17.514 -18.199 12.336 1.00 0.00 O ATOM 568 CB LYS A 44 16.273 -20.291 10.271 1.00 0.00 C ATOM 569 CG LYS A 44 14.997 -21.132 10.183 1.00 0.00 C ATOM 570 CD LYS A 44 15.027 -22.280 11.194 1.00 0.00 C ATOM 571 CE LYS A 44 15.994 -23.378 10.748 1.00 0.00 C ATOM 572 NZ LYS A 44 17.122 -23.493 11.700 1.00 0.00 N ATOM 0 H LYS A 44 15.225 -18.729 8.669 1.00 0.00 H new ATOM 0 HA LYS A 44 15.216 -18.892 11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.801 -20.323 9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.942 -20.716 11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.128 -20.501 10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.890 -21.533 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.327 -21.901 12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.026 -22.696 11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.467 -24.330 10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.373 -23.154 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.962 -23.849 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.330 -22.558 12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.867 -24.152 12.463 1.00 0.00 H new ATOM 583 N LYS A 45 17.730 -17.251 10.294 1.00 0.00 N ATOM 584 CA LYS A 45 18.882 -16.447 10.666 1.00 0.00 C ATOM 585 C LYS A 45 18.406 -15.193 11.402 1.00 0.00 C ATOM 586 O LYS A 45 19.086 -14.168 11.394 1.00 0.00 O ATOM 587 CB LYS A 45 19.746 -16.149 9.440 1.00 0.00 C ATOM 588 CG LYS A 45 19.955 -17.409 8.597 1.00 0.00 C ATOM 589 CD LYS A 45 21.128 -17.233 7.630 1.00 0.00 C ATOM 590 CE LYS A 45 21.356 -18.504 6.808 1.00 0.00 C ATOM 591 NZ LYS A 45 22.763 -18.584 6.356 1.00 0.00 N ATOM 0 H LYS A 45 17.424 -17.137 9.328 1.00 0.00 H new ATOM 0 HA LYS A 45 19.524 -16.997 11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.271 -15.377 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.712 -15.756 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.142 -18.261 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.047 -17.631 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 45 20.931 -16.394 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.032 -16.990 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.110 -19.381 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 45 20.690 -18.511 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 22.900 -19.452 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 22.986 -17.757 5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.393 -18.600 7.183 1.00 0.00 H new ATOM 602 N SER A 46 17.241 -15.315 12.022 1.00 0.00 N ATOM 603 CA SER A 46 16.666 -14.205 12.761 1.00 0.00 C ATOM 604 C SER A 46 16.993 -14.342 14.249 1.00 0.00 C ATOM 605 O SER A 46 17.823 -13.603 14.777 1.00 0.00 O ATOM 606 CB SER A 46 15.152 -14.130 12.555 1.00 0.00 C ATOM 607 OG SER A 46 14.469 -15.182 13.231 1.00 0.00 O ATOM 0 H SER A 46 16.680 -16.167 12.027 1.00 0.00 H new ATOM 0 HA SER A 46 17.102 -13.281 12.383 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.784 -13.169 12.915 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.928 -14.178 11.489 1.00 0.00 H new ATOM 0 HG SER A 46 14.441 -15.976 12.657 1.00 0.00 H new ATOM 613 N GLY A 47 16.323 -15.292 14.884 1.00 0.00 N ATOM 614 CA GLY A 47 16.531 -15.536 16.302 1.00 0.00 C ATOM 615 C GLY A 47 15.338 -16.273 16.913 1.00 0.00 C ATOM 616 O GLY A 47 15.506 -17.098 17.809 1.00 0.00 O ATOM 0 H GLY A 47 15.635 -15.903 14.443 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.438 -16.124 16.444 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.681 -14.588 16.819 1.00 0.00 H new ATOM 620 N LEU A 48 14.159 -15.947 16.404 1.00 0.00 N ATOM 621 CA LEU A 48 12.937 -16.568 16.888 1.00 0.00 C ATOM 622 C LEU A 48 13.037 -18.085 16.715 1.00 0.00 C ATOM 623 O LEU A 48 13.886 -18.573 15.970 1.00 0.00 O ATOM 624 CB LEU A 48 11.715 -15.950 16.206 1.00 0.00 C ATOM 625 CG LEU A 48 11.156 -14.681 16.853 1.00 0.00 C ATOM 626 CD1 LEU A 48 10.408 -13.827 15.827 1.00 0.00 C ATOM 627 CD2 LEU A 48 10.283 -15.021 18.062 1.00 0.00 C ATOM 0 H LEU A 48 14.024 -15.261 15.661 1.00 0.00 H new ATOM 0 HA LEU A 48 12.809 -16.377 17.953 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.977 -15.722 15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.923 -16.698 16.177 1.00 0.00 H new ATOM 0 HG LEU A 48 11.993 -14.086 17.218 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.021 -12.931 16.312 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.090 -13.540 15.026 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.580 -14.401 15.410 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.898 -14.101 18.503 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.449 -15.647 17.744 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.878 -15.557 18.801 1.00 0.00 H new ATOM 639 N PRO A 49 12.136 -18.806 17.433 1.00 0.00 N ATOM 640 CA PRO A 49 12.114 -20.257 17.365 1.00 0.00 C ATOM 641 C PRO A 49 11.500 -20.736 16.048 1.00 0.00 C ATOM 642 O PRO A 49 11.291 -19.942 15.132 1.00 0.00 O ATOM 643 CB PRO A 49 11.320 -20.696 18.585 1.00 0.00 C ATOM 644 CG PRO A 49 10.535 -19.474 19.033 1.00 0.00 C ATOM 645 CD PRO A 49 11.116 -18.261 18.325 1.00 0.00 C ATOM 0 HA PRO A 49 13.113 -20.693 17.378 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.652 -21.521 18.340 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.982 -21.047 19.377 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.479 -19.589 18.789 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.601 -19.353 20.114 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.349 -17.723 17.768 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.547 -17.556 19.036 1.00 0.00 H new ATOM 653 N ASP A 50 11.228 -22.032 15.995 1.00 0.00 N ATOM 654 CA ASP A 50 10.642 -22.626 14.806 1.00 0.00 C ATOM 655 C ASP A 50 9.120 -22.654 14.952 1.00 0.00 C ATOM 656 O ASP A 50 8.395 -22.439 13.982 1.00 0.00 O ATOM 657 CB ASP A 50 11.126 -24.064 14.613 1.00 0.00 C ATOM 658 CG ASP A 50 12.541 -24.201 14.047 1.00 0.00 C ATOM 659 OD1 ASP A 50 12.784 -24.984 13.117 1.00 0.00 O ATOM 660 OD2 ASP A 50 13.427 -23.451 14.609 1.00 0.00 O ATOM 0 H ASP A 50 11.403 -22.687 16.757 1.00 0.00 H new ATOM 0 HA ASP A 50 10.942 -22.027 13.947 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.084 -24.577 15.574 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.433 -24.578 13.947 1.00 0.00 H new ATOM 666 N LEU A 51 8.680 -22.921 16.173 1.00 0.00 N ATOM 667 CA LEU A 51 7.256 -22.981 16.459 1.00 0.00 C ATOM 668 C LEU A 51 6.618 -21.629 16.133 1.00 0.00 C ATOM 669 O LEU A 51 5.642 -21.563 15.388 1.00 0.00 O ATOM 670 CB LEU A 51 7.018 -23.442 17.898 1.00 0.00 C ATOM 671 CG LEU A 51 6.694 -22.342 18.911 1.00 0.00 C ATOM 672 CD1 LEU A 51 5.721 -22.847 19.978 1.00 0.00 C ATOM 673 CD2 LEU A 51 7.973 -21.770 19.526 1.00 0.00 C ATOM 0 H LEU A 51 9.284 -23.098 16.976 1.00 0.00 H new ATOM 0 HA LEU A 51 6.771 -23.724 15.826 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.198 -24.160 17.897 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.907 -23.973 18.240 1.00 0.00 H new ATOM 0 HG LEU A 51 6.198 -21.528 18.383 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.508 -22.045 20.685 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.794 -23.167 19.503 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.167 -23.689 20.508 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.715 -20.990 20.242 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.519 -22.564 20.035 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.598 -21.347 18.739 1.00 0.00 H new ATOM 685 N ILE A 52 7.196 -20.584 16.708 1.00 0.00 N ATOM 686 CA ILE A 52 6.696 -19.238 16.488 1.00 0.00 C ATOM 687 C ILE A 52 6.851 -18.876 15.009 1.00 0.00 C ATOM 688 O ILE A 52 6.017 -18.165 14.450 1.00 0.00 O ATOM 689 CB ILE A 52 7.378 -18.251 17.437 1.00 0.00 C ATOM 690 CG1 ILE A 52 6.920 -18.473 18.880 1.00 0.00 C ATOM 691 CG2 ILE A 52 7.155 -16.807 16.981 1.00 0.00 C ATOM 692 CD1 ILE A 52 5.767 -17.534 19.241 1.00 0.00 C ATOM 0 H ILE A 52 8.006 -20.643 17.326 1.00 0.00 H new ATOM 0 HA ILE A 52 5.632 -19.184 16.720 1.00 0.00 H new ATOM 0 HB ILE A 52 8.452 -18.436 17.407 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.605 -19.508 19.010 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.755 -18.307 19.560 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.650 -16.126 17.673 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.569 -16.673 15.982 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.087 -16.592 16.963 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.461 -17.713 20.272 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.093 -16.499 19.134 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.924 -17.720 18.575 1.00 0.00 H new ATOM 704 N LEU A 53 7.924 -19.381 14.419 1.00 0.00 N ATOM 705 CA LEU A 53 8.199 -19.120 13.016 1.00 0.00 C ATOM 706 C LEU A 53 7.102 -19.754 12.159 1.00 0.00 C ATOM 707 O LEU A 53 6.530 -19.096 11.291 1.00 0.00 O ATOM 708 CB LEU A 53 9.610 -19.585 12.651 1.00 0.00 C ATOM 709 CG LEU A 53 10.670 -18.488 12.537 1.00 0.00 C ATOM 710 CD1 LEU A 53 12.071 -19.090 12.408 1.00 0.00 C ATOM 711 CD2 LEU A 53 10.348 -17.532 11.386 1.00 0.00 C ATOM 0 H LEU A 53 8.613 -19.970 14.887 1.00 0.00 H new ATOM 0 HA LEU A 53 8.180 -18.048 12.817 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.939 -20.304 13.401 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.561 -20.116 11.700 1.00 0.00 H new ATOM 0 HG LEU A 53 10.655 -17.902 13.456 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.805 -18.289 12.329 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.289 -19.696 13.287 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.118 -19.715 11.516 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.117 -16.762 11.327 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.318 -18.088 10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.379 -17.065 11.561 1.00 0.00 H new ATOM 723 N GLY A 54 6.840 -21.023 12.433 1.00 0.00 N ATOM 724 CA GLY A 54 5.821 -21.753 11.698 1.00 0.00 C ATOM 725 C GLY A 54 4.573 -20.893 11.491 1.00 0.00 C ATOM 726 O GLY A 54 3.995 -20.882 10.405 1.00 0.00 O ATOM 0 H GLY A 54 7.316 -21.565 13.154 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.217 -22.064 10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.556 -22.660 12.241 1.00 0.00 H new ATOM 730 N LYS A 55 4.193 -20.194 12.551 1.00 0.00 N ATOM 731 CA LYS A 55 3.023 -19.334 12.500 1.00 0.00 C ATOM 732 C LYS A 55 3.284 -18.184 11.525 1.00 0.00 C ATOM 733 O LYS A 55 2.402 -17.806 10.755 1.00 0.00 O ATOM 734 CB LYS A 55 2.636 -18.872 13.906 1.00 0.00 C ATOM 735 CG LYS A 55 2.076 -20.034 14.729 1.00 0.00 C ATOM 736 CD LYS A 55 0.676 -19.709 15.254 1.00 0.00 C ATOM 737 CE LYS A 55 0.727 -18.588 16.294 1.00 0.00 C ATOM 738 NZ LYS A 55 -0.079 -17.430 15.847 1.00 0.00 N ATOM 0 H LYS A 55 4.675 -20.206 13.450 1.00 0.00 H new ATOM 0 HA LYS A 55 2.161 -19.884 12.122 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.508 -18.453 14.408 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.893 -18.077 13.840 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.038 -20.934 14.115 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.742 -20.246 15.565 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.033 -19.412 14.425 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.234 -20.601 15.697 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.351 -18.953 17.250 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.760 -18.279 16.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.034 -16.678 16.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.297 -17.072 14.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.068 -17.725 15.716 1.00 0.00 H new ATOM 749 N ILE A 56 4.499 -17.659 11.590 1.00 0.00 N ATOM 750 CA ILE A 56 4.887 -16.559 10.723 1.00 0.00 C ATOM 751 C ILE A 56 4.702 -16.977 9.263 1.00 0.00 C ATOM 752 O ILE A 56 3.991 -16.315 8.509 1.00 0.00 O ATOM 753 CB ILE A 56 6.305 -16.091 11.053 1.00 0.00 C ATOM 754 CG1 ILE A 56 6.297 -15.096 12.215 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.997 -15.520 9.814 1.00 0.00 C ATOM 756 CD1 ILE A 56 7.647 -14.385 12.338 1.00 0.00 C ATOM 0 H ILE A 56 5.228 -17.975 12.230 1.00 0.00 H new ATOM 0 HA ILE A 56 4.244 -15.695 10.892 1.00 0.00 H new ATOM 0 HB ILE A 56 6.884 -16.957 11.374 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.507 -14.360 12.063 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.071 -15.619 13.144 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.004 -15.195 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.054 -16.288 9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.427 -14.670 9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.614 -13.683 13.172 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.431 -15.121 12.514 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.858 -13.843 11.416 1.00 0.00 H new ATOM 768 N TRP A 57 5.354 -18.075 8.907 1.00 0.00 N ATOM 769 CA TRP A 57 5.270 -18.589 7.551 1.00 0.00 C ATOM 770 C TRP A 57 3.793 -18.805 7.218 1.00 0.00 C ATOM 771 O TRP A 57 3.295 -18.284 6.221 1.00 0.00 O ATOM 772 CB TRP A 57 6.110 -19.858 7.393 1.00 0.00 C ATOM 773 CG TRP A 57 6.285 -20.311 5.942 1.00 0.00 C ATOM 774 CD1 TRP A 57 5.487 -21.115 5.227 1.00 0.00 C ATOM 775 CD2 TRP A 57 7.364 -19.952 5.054 1.00 0.00 C ATOM 776 NE1 TRP A 57 5.970 -21.300 3.948 1.00 0.00 N ATOM 777 CE2 TRP A 57 7.148 -20.570 3.839 1.00 0.00 C ATOM 778 CE3 TRP A 57 8.486 -19.133 5.269 1.00 0.00 C ATOM 779 CZ2 TRP A 57 8.011 -20.433 2.745 1.00 0.00 C ATOM 780 CZ3 TRP A 57 9.339 -19.006 4.166 1.00 0.00 C ATOM 781 CH2 TRP A 57 9.135 -19.622 2.936 1.00 0.00 C ATOM 0 H TRP A 57 5.943 -18.622 9.535 1.00 0.00 H new ATOM 0 HA TRP A 57 5.686 -17.874 6.841 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.094 -19.687 7.831 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.644 -20.663 7.961 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.579 -21.562 5.604 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.542 -21.868 3.217 1.00 0.00 H new ATOM 0 HE3 TRP A 57 8.675 -18.640 6.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.819 -20.927 1.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 10.217 -18.387 4.278 1.00 0.00 H new ATOM 0 HH2 TRP A 57 9.841 -19.475 2.132 1.00 0.00 H new ATOM 792 N ASP A 58 3.132 -19.574 8.071 1.00 0.00 N ATOM 793 CA ASP A 58 1.722 -19.865 7.879 1.00 0.00 C ATOM 794 C ASP A 58 0.989 -18.580 7.487 1.00 0.00 C ATOM 795 O ASP A 58 0.209 -18.571 6.536 1.00 0.00 O ATOM 796 CB ASP A 58 1.089 -20.395 9.167 1.00 0.00 C ATOM 797 CG ASP A 58 0.046 -21.497 8.969 1.00 0.00 C ATOM 798 OD1 ASP A 58 -0.610 -21.574 7.920 1.00 0.00 O ATOM 799 OD2 ASP A 58 -0.081 -22.312 9.961 1.00 0.00 O ATOM 0 H ASP A 58 3.548 -20.004 8.897 1.00 0.00 H new ATOM 0 HA ASP A 58 1.637 -20.620 7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.880 -20.776 9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.621 -19.563 9.693 1.00 0.00 H new ATOM 805 N LEU A 59 1.266 -17.525 8.240 1.00 0.00 N ATOM 806 CA LEU A 59 0.643 -16.238 7.983 1.00 0.00 C ATOM 807 C LEU A 59 1.103 -15.717 6.620 1.00 0.00 C ATOM 808 O LEU A 59 0.331 -15.086 5.900 1.00 0.00 O ATOM 809 CB LEU A 59 0.918 -15.270 9.136 1.00 0.00 C ATOM 810 CG LEU A 59 0.531 -13.810 8.893 1.00 0.00 C ATOM 811 CD1 LEU A 59 1.594 -13.093 8.059 1.00 0.00 C ATOM 812 CD2 LEU A 59 -0.859 -13.709 8.260 1.00 0.00 C ATOM 0 H LEU A 59 1.914 -17.536 9.028 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.441 -16.342 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.384 -15.625 10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.982 -15.309 9.371 1.00 0.00 H new ATOM 0 HG LEU A 59 0.483 -13.304 9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.295 -12.057 7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.548 -13.119 8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.698 -13.592 7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.110 -12.661 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.863 -14.235 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.595 -14.159 8.926 1.00 0.00 H new ATOM 824 N ALA A 60 2.359 -16.000 6.307 1.00 0.00 N ATOM 825 CA ALA A 60 2.931 -15.567 5.043 1.00 0.00 C ATOM 826 C ALA A 60 2.238 -16.305 3.896 1.00 0.00 C ATOM 827 O ALA A 60 1.616 -15.682 3.038 1.00 0.00 O ATOM 828 CB ALA A 60 4.443 -15.802 5.060 1.00 0.00 C ATOM 0 H ALA A 60 2.997 -16.524 6.907 1.00 0.00 H new ATOM 0 HA ALA A 60 2.769 -14.500 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.872 -15.477 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.891 -15.233 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.645 -16.863 5.205 1.00 0.00 H new ATOM 834 N ASP A 61 2.370 -17.624 3.918 1.00 0.00 N ATOM 835 CA ASP A 61 1.765 -18.453 2.890 1.00 0.00 C ATOM 836 C ASP A 61 0.413 -17.858 2.490 1.00 0.00 C ATOM 837 O ASP A 61 -0.442 -17.622 3.343 1.00 0.00 O ATOM 838 CB ASP A 61 1.522 -19.875 3.402 1.00 0.00 C ATOM 839 CG ASP A 61 0.981 -20.854 2.359 1.00 0.00 C ATOM 840 OD1 ASP A 61 1.151 -20.655 1.147 1.00 0.00 O ATOM 841 OD2 ASP A 61 0.351 -21.871 2.841 1.00 0.00 O ATOM 0 H ASP A 61 2.887 -18.138 4.631 1.00 0.00 H new ATOM 0 HA ASP A 61 2.446 -18.486 2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.459 -20.268 3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.820 -19.830 4.235 1.00 0.00 H new ATOM 847 N THR A 62 0.262 -17.633 1.194 1.00 0.00 N ATOM 848 CA THR A 62 -0.971 -17.069 0.670 1.00 0.00 C ATOM 849 C THR A 62 -1.084 -17.336 -0.832 1.00 0.00 C ATOM 850 O THR A 62 -2.151 -17.700 -1.323 1.00 0.00 O ATOM 851 CB THR A 62 -1.000 -15.582 1.027 1.00 0.00 C ATOM 852 OG1 THR A 62 -1.321 -15.564 2.415 1.00 0.00 O ATOM 853 CG2 THR A 62 -2.165 -14.843 0.365 1.00 0.00 C ATOM 0 H THR A 62 0.973 -17.831 0.490 1.00 0.00 H new ATOM 0 HA THR A 62 -1.844 -17.543 1.119 1.00 0.00 H new ATOM 0 HB THR A 62 -0.060 -15.119 0.728 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.489 -16.479 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.139 -13.792 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.080 -14.926 -0.718 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.107 -15.284 0.690 1.00 0.00 H new ATOM 861 N ASP A 63 0.032 -17.144 -1.520 1.00 0.00 N ATOM 862 CA ASP A 63 0.072 -17.360 -2.956 1.00 0.00 C ATOM 863 C ASP A 63 -0.555 -18.717 -3.282 1.00 0.00 C ATOM 864 O ASP A 63 -1.507 -18.795 -4.057 1.00 0.00 O ATOM 865 CB ASP A 63 1.512 -17.369 -3.473 1.00 0.00 C ATOM 866 CG ASP A 63 1.656 -17.558 -4.984 1.00 0.00 C ATOM 867 OD1 ASP A 63 0.786 -18.150 -5.639 1.00 0.00 O ATOM 868 OD2 ASP A 63 2.731 -17.061 -5.495 1.00 0.00 O ATOM 0 H ASP A 63 0.915 -16.841 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.477 -16.548 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.988 -16.430 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.058 -18.166 -2.969 1.00 0.00 H new ATOM 874 N GLY A 64 0.004 -19.752 -2.673 1.00 0.00 N ATOM 875 CA GLY A 64 -0.489 -21.102 -2.888 1.00 0.00 C ATOM 876 C GLY A 64 0.453 -21.891 -3.801 1.00 0.00 C ATOM 877 O GLY A 64 0.079 -22.263 -4.912 1.00 0.00 O ATOM 0 H GLY A 64 0.793 -19.683 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.587 -21.614 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.484 -21.063 -3.332 1.00 0.00 H new ATOM 881 N LYS A 65 1.657 -22.122 -3.298 1.00 0.00 N ATOM 882 CA LYS A 65 2.655 -22.859 -4.054 1.00 0.00 C ATOM 883 C LYS A 65 3.939 -22.964 -3.228 1.00 0.00 C ATOM 884 O LYS A 65 4.609 -23.995 -3.245 1.00 0.00 O ATOM 885 CB LYS A 65 2.859 -22.226 -5.431 1.00 0.00 C ATOM 886 CG LYS A 65 3.183 -20.736 -5.308 1.00 0.00 C ATOM 887 CD LYS A 65 3.110 -20.044 -6.670 1.00 0.00 C ATOM 888 CE LYS A 65 4.248 -19.035 -6.835 1.00 0.00 C ATOM 889 NZ LYS A 65 3.969 -18.118 -7.962 1.00 0.00 N ATOM 0 H LYS A 65 1.964 -21.812 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 65 2.314 -23.877 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.669 -22.736 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.959 -22.358 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.483 -20.264 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.180 -20.611 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.162 -20.789 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.151 -19.536 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.371 -18.463 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.186 -19.562 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.866 -17.769 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.441 -18.626 -8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.404 -17.313 -7.623 1.00 0.00 H new ATOM 900 N GLY A 66 4.243 -21.882 -2.527 1.00 0.00 N ATOM 901 CA GLY A 66 5.435 -21.839 -1.697 1.00 0.00 C ATOM 902 C GLY A 66 6.223 -20.549 -1.935 1.00 0.00 C ATOM 903 O GLY A 66 6.477 -19.790 -1.001 1.00 0.00 O ATOM 0 H GLY A 66 3.685 -21.028 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.153 -21.909 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.066 -22.700 -1.916 1.00 0.00 H new ATOM 907 N VAL A 67 6.588 -20.340 -3.192 1.00 0.00 N ATOM 908 CA VAL A 67 7.342 -19.156 -3.565 1.00 0.00 C ATOM 909 C VAL A 67 6.811 -17.952 -2.784 1.00 0.00 C ATOM 910 O VAL A 67 5.645 -17.924 -2.395 1.00 0.00 O ATOM 911 CB VAL A 67 7.286 -18.956 -5.081 1.00 0.00 C ATOM 912 CG1 VAL A 67 8.254 -17.858 -5.525 1.00 0.00 C ATOM 913 CG2 VAL A 67 7.569 -20.267 -5.817 1.00 0.00 C ATOM 0 H VAL A 67 6.375 -20.971 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 67 8.394 -19.275 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 67 6.276 -18.637 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.194 -17.736 -6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.988 -16.920 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.271 -18.135 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.523 -20.098 -6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.562 -20.628 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.824 -21.011 -5.535 1.00 0.00 H new ATOM 923 N LEU A 68 7.694 -16.986 -2.577 1.00 0.00 N ATOM 924 CA LEU A 68 7.330 -15.782 -1.849 1.00 0.00 C ATOM 925 C LEU A 68 7.028 -14.660 -2.845 1.00 0.00 C ATOM 926 O LEU A 68 7.372 -14.762 -4.022 1.00 0.00 O ATOM 927 CB LEU A 68 8.412 -15.424 -0.829 1.00 0.00 C ATOM 928 CG LEU A 68 8.576 -16.394 0.344 1.00 0.00 C ATOM 929 CD1 LEU A 68 9.477 -15.797 1.427 1.00 0.00 C ATOM 930 CD2 LEU A 68 7.214 -16.816 0.900 1.00 0.00 C ATOM 0 H LEU A 68 8.661 -17.013 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 68 6.422 -15.948 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.366 -15.352 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.192 -14.434 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 68 9.068 -17.295 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.577 -16.506 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.461 -15.587 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.036 -14.872 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.358 -17.505 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.674 -15.935 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.638 -17.309 0.117 1.00 0.00 H new ATOM 942 N SER A 69 6.390 -13.617 -2.336 1.00 0.00 N ATOM 943 CA SER A 69 6.038 -12.477 -3.167 1.00 0.00 C ATOM 944 C SER A 69 6.923 -11.280 -2.814 1.00 0.00 C ATOM 945 O SER A 69 8.078 -11.450 -2.424 1.00 0.00 O ATOM 946 CB SER A 69 4.562 -12.112 -3.004 1.00 0.00 C ATOM 947 OG SER A 69 3.726 -13.266 -2.977 1.00 0.00 O ATOM 0 H SER A 69 6.107 -13.537 -1.359 1.00 0.00 H new ATOM 0 HA SER A 69 6.204 -12.749 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.428 -11.546 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.257 -11.462 -3.824 1.00 0.00 H new ATOM 0 HG SER A 69 2.792 -12.991 -2.870 1.00 0.00 H new ATOM 953 N LYS A 70 6.349 -10.096 -2.963 1.00 0.00 N ATOM 954 CA LYS A 70 7.071 -8.871 -2.665 1.00 0.00 C ATOM 955 C LYS A 70 6.893 -8.527 -1.184 1.00 0.00 C ATOM 956 O LYS A 70 7.597 -9.063 -0.330 1.00 0.00 O ATOM 957 CB LYS A 70 6.639 -7.750 -3.613 1.00 0.00 C ATOM 958 CG LYS A 70 7.291 -7.912 -4.987 1.00 0.00 C ATOM 959 CD LYS A 70 7.115 -6.647 -5.830 1.00 0.00 C ATOM 960 CE LYS A 70 8.461 -6.154 -6.366 1.00 0.00 C ATOM 961 NZ LYS A 70 8.370 -5.876 -7.817 1.00 0.00 N ATOM 0 H LYS A 70 5.391 -9.959 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 70 8.139 -9.007 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.554 -7.756 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.913 -6.784 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.353 -8.128 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.849 -8.763 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.441 -6.851 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.651 -5.866 -5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.762 -5.251 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.230 -6.904 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.292 -5.542 -8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.104 -6.746 -8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.651 -5.144 -7.986 1.00 0.00 H new ATOM 972 N GLN A 71 5.949 -7.634 -0.926 1.00 0.00 N ATOM 973 CA GLN A 71 5.670 -7.212 0.436 1.00 0.00 C ATOM 974 C GLN A 71 5.607 -8.426 1.365 1.00 0.00 C ATOM 975 O GLN A 71 5.910 -8.320 2.552 1.00 0.00 O ATOM 976 CB GLN A 71 4.375 -6.401 0.505 1.00 0.00 C ATOM 977 CG GLN A 71 4.608 -4.957 0.054 1.00 0.00 C ATOM 978 CD GLN A 71 3.440 -4.059 0.468 1.00 0.00 C ATOM 979 OE1 GLN A 71 2.280 -4.425 0.379 1.00 0.00 O ATOM 980 NE2 GLN A 71 3.811 -2.866 0.924 1.00 0.00 N ATOM 0 H GLN A 71 5.368 -7.191 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 71 6.482 -6.566 0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.617 -6.865 -0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.990 -6.410 1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.533 -4.581 0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.730 -4.925 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.801 -2.624 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.106 -2.193 1.226 1.00 0.00 H new ATOM 989 N GLU A 72 5.210 -9.552 0.790 1.00 0.00 N ATOM 990 CA GLU A 72 5.103 -10.784 1.551 1.00 0.00 C ATOM 991 C GLU A 72 6.390 -11.034 2.341 1.00 0.00 C ATOM 992 O GLU A 72 6.404 -10.912 3.565 1.00 0.00 O ATOM 993 CB GLU A 72 4.784 -11.968 0.636 1.00 0.00 C ATOM 994 CG GLU A 72 3.278 -12.077 0.386 1.00 0.00 C ATOM 995 CD GLU A 72 2.733 -13.414 0.893 1.00 0.00 C ATOM 996 OE1 GLU A 72 2.003 -13.447 1.894 1.00 0.00 O ATOM 997 OE2 GLU A 72 3.094 -14.445 0.206 1.00 0.00 O ATOM 0 H GLU A 72 4.958 -9.636 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 72 4.280 -10.681 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.306 -11.850 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.149 -12.890 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.763 -11.257 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.075 -11.978 -0.680 1.00 0.00 H new ATOM 1005 N PHE A 73 7.439 -11.378 1.609 1.00 0.00 N ATOM 1006 CA PHE A 73 8.727 -11.645 2.226 1.00 0.00 C ATOM 1007 C PHE A 73 9.112 -10.527 3.197 1.00 0.00 C ATOM 1008 O PHE A 73 9.555 -10.795 4.313 1.00 0.00 O ATOM 1009 CB PHE A 73 9.759 -11.703 1.098 1.00 0.00 C ATOM 1010 CG PHE A 73 11.210 -11.722 1.584 1.00 0.00 C ATOM 1011 CD1 PHE A 73 11.756 -10.607 2.140 1.00 0.00 C ATOM 1012 CD2 PHE A 73 11.954 -12.853 1.459 1.00 0.00 C ATOM 1013 CE1 PHE A 73 13.102 -10.625 2.590 1.00 0.00 C ATOM 1014 CE2 PHE A 73 13.301 -12.871 1.909 1.00 0.00 C ATOM 1015 CZ PHE A 73 13.847 -11.756 2.465 1.00 0.00 C ATOM 0 H PHE A 73 7.423 -11.478 0.594 1.00 0.00 H new ATOM 0 HA PHE A 73 8.685 -12.578 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.576 -12.594 0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.617 -10.843 0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.165 -9.708 2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.521 -13.738 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.535 -9.740 3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.892 -13.770 1.810 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.871 -11.769 2.807 1.00 0.00 H new ATOM 1025 N PHE A 74 8.930 -9.298 2.737 1.00 0.00 N ATOM 1026 CA PHE A 74 9.253 -8.139 3.551 1.00 0.00 C ATOM 1027 C PHE A 74 8.372 -8.084 4.801 1.00 0.00 C ATOM 1028 O PHE A 74 8.751 -7.483 5.805 1.00 0.00 O ATOM 1029 CB PHE A 74 8.980 -6.901 2.694 1.00 0.00 C ATOM 1030 CG PHE A 74 10.236 -6.285 2.073 1.00 0.00 C ATOM 1031 CD1 PHE A 74 11.054 -7.047 1.298 1.00 0.00 C ATOM 1032 CD2 PHE A 74 10.533 -4.977 2.294 1.00 0.00 C ATOM 1033 CE1 PHE A 74 12.219 -6.476 0.721 1.00 0.00 C ATOM 1034 CE2 PHE A 74 11.698 -4.406 1.717 1.00 0.00 C ATOM 1035 CZ PHE A 74 12.516 -5.167 0.943 1.00 0.00 C ATOM 0 H PHE A 74 8.563 -9.080 1.811 1.00 0.00 H new ATOM 0 HA PHE A 74 10.293 -8.189 3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.287 -7.169 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.484 -6.149 3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 74 10.817 -8.086 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.883 -4.372 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.869 -7.081 0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.934 -3.367 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.402 -4.732 0.504 1.00 0.00 H new ATOM 1045 N VAL A 75 7.214 -8.719 4.698 1.00 0.00 N ATOM 1046 CA VAL A 75 6.276 -8.750 5.807 1.00 0.00 C ATOM 1047 C VAL A 75 6.786 -9.722 6.873 1.00 0.00 C ATOM 1048 O VAL A 75 6.983 -9.338 8.025 1.00 0.00 O ATOM 1049 CB VAL A 75 4.876 -9.100 5.300 1.00 0.00 C ATOM 1050 CG1 VAL A 75 4.269 -10.246 6.111 1.00 0.00 C ATOM 1051 CG2 VAL A 75 3.964 -7.872 5.318 1.00 0.00 C ATOM 0 H VAL A 75 6.904 -9.216 3.863 1.00 0.00 H new ATOM 0 HA VAL A 75 6.202 -7.767 6.272 1.00 0.00 H new ATOM 0 HB VAL A 75 4.968 -9.434 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.274 -10.474 5.730 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.902 -11.129 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.198 -9.953 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.975 -8.148 4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.882 -7.494 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.384 -7.097 4.677 1.00 0.00 H new ATOM 1061 N ALA A 76 6.985 -10.962 6.451 1.00 0.00 N ATOM 1062 CA ALA A 76 7.468 -11.992 7.355 1.00 0.00 C ATOM 1063 C ALA A 76 8.693 -11.469 8.108 1.00 0.00 C ATOM 1064 O ALA A 76 8.786 -11.615 9.326 1.00 0.00 O ATOM 1065 CB ALA A 76 7.769 -13.266 6.564 1.00 0.00 C ATOM 0 H ALA A 76 6.820 -11.277 5.495 1.00 0.00 H new ATOM 0 HA ALA A 76 6.707 -12.241 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 76 8.131 -14.038 7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.860 -13.612 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.531 -13.057 5.813 1.00 0.00 H new ATOM 1071 N LEU A 77 9.603 -10.872 7.352 1.00 0.00 N ATOM 1072 CA LEU A 77 10.818 -10.328 7.933 1.00 0.00 C ATOM 1073 C LEU A 77 10.457 -9.460 9.140 1.00 0.00 C ATOM 1074 O LEU A 77 10.728 -9.832 10.280 1.00 0.00 O ATOM 1075 CB LEU A 77 11.637 -9.593 6.870 1.00 0.00 C ATOM 1076 CG LEU A 77 12.951 -10.259 6.457 1.00 0.00 C ATOM 1077 CD1 LEU A 77 13.728 -9.378 5.477 1.00 0.00 C ATOM 1078 CD2 LEU A 77 13.788 -10.629 7.683 1.00 0.00 C ATOM 0 H LEU A 77 9.523 -10.753 6.342 1.00 0.00 H new ATOM 0 HA LEU A 77 11.459 -11.131 8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.018 -9.474 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.860 -8.592 7.239 1.00 0.00 H new ATOM 0 HG LEU A 77 12.714 -11.187 5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.658 -9.875 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.126 -9.209 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.954 -8.422 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.716 -11.101 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.017 -9.728 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.228 -11.322 8.310 1.00 0.00 H new ATOM 1090 N ARG A 78 9.851 -8.319 8.848 1.00 0.00 N ATOM 1091 CA ARG A 78 9.450 -7.395 9.895 1.00 0.00 C ATOM 1092 C ARG A 78 8.625 -8.123 10.958 1.00 0.00 C ATOM 1093 O ARG A 78 8.716 -7.806 12.143 1.00 0.00 O ATOM 1094 CB ARG A 78 8.625 -6.239 9.324 1.00 0.00 C ATOM 1095 CG ARG A 78 9.533 -5.154 8.740 1.00 0.00 C ATOM 1096 CD ARG A 78 10.511 -4.632 9.795 1.00 0.00 C ATOM 1097 NE ARG A 78 11.828 -5.286 9.631 1.00 0.00 N ATOM 1098 CZ ARG A 78 13.002 -4.721 9.985 1.00 0.00 C ATOM 1099 NH1 ARG A 78 13.033 -3.484 10.525 1.00 0.00 N ATOM 1100 NH2 ARG A 78 14.120 -5.396 9.794 1.00 0.00 N ATOM 0 H ARG A 78 9.628 -8.013 7.901 1.00 0.00 H new ATOM 0 HA ARG A 78 10.357 -6.992 10.346 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.955 -6.613 8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.999 -5.812 10.108 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.087 -5.556 7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.926 -4.331 8.363 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.618 -3.551 9.701 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.120 -4.828 10.794 1.00 0.00 H new ATOM 0 HE ARG A 78 11.850 -6.222 9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.165 -2.968 10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.925 -3.065 10.789 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.088 -6.330 9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.016 -4.984 10.056 1.00 0.00 H new ATOM 1113 N LEU A 79 7.841 -9.085 10.497 1.00 0.00 N ATOM 1114 CA LEU A 79 7.001 -9.861 11.394 1.00 0.00 C ATOM 1115 C LEU A 79 7.860 -10.432 12.523 1.00 0.00 C ATOM 1116 O LEU A 79 7.445 -10.440 13.681 1.00 0.00 O ATOM 1117 CB LEU A 79 6.224 -10.924 10.615 1.00 0.00 C ATOM 1118 CG LEU A 79 4.881 -11.348 11.215 1.00 0.00 C ATOM 1119 CD1 LEU A 79 4.164 -12.345 10.303 1.00 0.00 C ATOM 1120 CD2 LEU A 79 5.063 -11.895 12.632 1.00 0.00 C ATOM 0 H LEU A 79 7.769 -9.346 9.513 1.00 0.00 H new ATOM 0 HA LEU A 79 6.247 -9.224 11.857 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.047 -10.550 9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.853 -11.809 10.521 1.00 0.00 H new ATOM 0 HG LEU A 79 4.245 -10.466 11.290 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.213 -12.630 10.752 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.983 -11.885 9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.785 -13.232 10.174 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.094 -12.189 13.036 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.723 -12.762 12.605 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.501 -11.124 13.266 1.00 0.00 H new ATOM 1132 N VAL A 80 9.043 -10.897 12.147 1.00 0.00 N ATOM 1133 CA VAL A 80 9.964 -11.469 13.114 1.00 0.00 C ATOM 1134 C VAL A 80 10.184 -10.473 14.254 1.00 0.00 C ATOM 1135 O VAL A 80 10.094 -10.835 15.426 1.00 0.00 O ATOM 1136 CB VAL A 80 11.264 -11.879 12.419 1.00 0.00 C ATOM 1137 CG1 VAL A 80 12.317 -12.317 13.439 1.00 0.00 C ATOM 1138 CG2 VAL A 80 11.011 -12.979 11.386 1.00 0.00 C ATOM 0 H VAL A 80 9.384 -10.889 11.186 1.00 0.00 H new ATOM 0 HA VAL A 80 9.545 -12.375 13.551 1.00 0.00 H new ATOM 0 HB VAL A 80 11.651 -11.007 11.892 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.231 -12.603 12.918 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.530 -11.492 14.119 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.941 -13.168 14.007 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.951 -13.252 10.907 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.589 -13.853 11.882 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.312 -12.617 10.632 1.00 0.00 H new ATOM 1148 N ALA A 81 10.469 -9.237 13.870 1.00 0.00 N ATOM 1149 CA ALA A 81 10.703 -8.185 14.845 1.00 0.00 C ATOM 1150 C ALA A 81 9.504 -8.099 15.792 1.00 0.00 C ATOM 1151 O ALA A 81 9.616 -7.561 16.893 1.00 0.00 O ATOM 1152 CB ALA A 81 10.968 -6.865 14.119 1.00 0.00 C ATOM 0 H ALA A 81 10.543 -8.941 12.897 1.00 0.00 H new ATOM 0 HA ALA A 81 11.584 -8.408 15.447 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.143 -6.076 14.851 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.846 -6.970 13.481 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.104 -6.607 13.507 1.00 0.00 H new ATOM 1158 N CYS A 82 8.385 -8.636 15.329 1.00 0.00 N ATOM 1159 CA CYS A 82 7.167 -8.626 16.121 1.00 0.00 C ATOM 1160 C CYS A 82 7.317 -9.651 17.247 1.00 0.00 C ATOM 1161 O CYS A 82 7.518 -9.284 18.403 1.00 0.00 O ATOM 1162 CB CYS A 82 5.931 -8.899 15.262 1.00 0.00 C ATOM 1163 SG CYS A 82 4.488 -7.997 15.936 1.00 0.00 S ATOM 0 H CYS A 82 8.296 -9.081 14.415 1.00 0.00 H new ATOM 0 HA CYS A 82 7.018 -7.635 16.550 1.00 0.00 H new ATOM 0 HB2 CYS A 82 6.117 -8.588 14.234 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.723 -9.969 15.239 1.00 0.00 H new ATOM 0 HG CYS A 82 3.445 -8.234 15.198 1.00 0.00 H new ATOM 1169 N ALA A 83 7.214 -10.917 16.869 1.00 0.00 N ATOM 1170 CA ALA A 83 7.337 -11.998 17.832 1.00 0.00 C ATOM 1171 C ALA A 83 8.637 -11.829 18.619 1.00 0.00 C ATOM 1172 O ALA A 83 8.773 -12.357 19.722 1.00 0.00 O ATOM 1173 CB ALA A 83 7.266 -13.341 17.103 1.00 0.00 C ATOM 0 H ALA A 83 7.047 -11.218 15.909 1.00 0.00 H new ATOM 0 HA ALA A 83 6.514 -11.971 18.547 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.358 -14.152 17.825 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.311 -13.424 16.585 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.078 -13.405 16.379 1.00 0.00 H new ATOM 1179 N GLN A 84 9.562 -11.091 18.022 1.00 0.00 N ATOM 1180 CA GLN A 84 10.847 -10.846 18.654 1.00 0.00 C ATOM 1181 C GLN A 84 10.652 -10.144 20.000 1.00 0.00 C ATOM 1182 O GLN A 84 11.479 -10.279 20.900 1.00 0.00 O ATOM 1183 CB GLN A 84 11.762 -10.030 17.738 1.00 0.00 C ATOM 1184 CG GLN A 84 12.389 -10.917 16.660 1.00 0.00 C ATOM 1185 CD GLN A 84 13.884 -11.118 16.918 1.00 0.00 C ATOM 1186 OE1 GLN A 84 14.371 -12.226 17.066 1.00 0.00 O ATOM 1187 NE2 GLN A 84 14.582 -9.986 16.964 1.00 0.00 N ATOM 0 H GLN A 84 9.447 -10.655 17.107 1.00 0.00 H new ATOM 0 HA GLN A 84 11.330 -11.806 18.834 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.192 -9.228 17.268 1.00 0.00 H new ATOM 0 HB3 GLN A 84 12.547 -9.559 18.329 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.886 -11.884 16.641 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.243 -10.463 15.680 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.111 -9.091 16.832 1.00 0.00 H new ATOM 0 HE22 GLN A 84 15.588 -10.013 17.132 1.00 0.00 H new ATOM 1196 N ASN A 85 9.553 -9.409 20.094 1.00 0.00 N ATOM 1197 CA ASN A 85 9.239 -8.686 21.314 1.00 0.00 C ATOM 1198 C ASN A 85 8.062 -9.366 22.016 1.00 0.00 C ATOM 1199 O ASN A 85 7.430 -8.775 22.890 1.00 0.00 O ATOM 1200 CB ASN A 85 8.838 -7.241 21.011 1.00 0.00 C ATOM 1201 CG ASN A 85 9.104 -6.334 22.213 1.00 0.00 C ATOM 1202 OD1 ASN A 85 8.200 -5.895 22.905 1.00 0.00 O ATOM 1203 ND2 ASN A 85 10.392 -6.078 22.423 1.00 0.00 N ATOM 0 H ASN A 85 8.869 -9.299 19.345 1.00 0.00 H new ATOM 0 HA ASN A 85 10.128 -8.688 21.945 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.396 -6.879 20.147 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.781 -7.201 20.748 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.673 -5.482 23.202 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.099 -6.478 21.806 1.00 0.00 H new ATOM 1210 N GLY A 86 7.803 -10.600 21.608 1.00 0.00 N ATOM 1211 CA GLY A 86 6.713 -11.366 22.187 1.00 0.00 C ATOM 1212 C GLY A 86 5.364 -10.916 21.621 1.00 0.00 C ATOM 1213 O GLY A 86 4.317 -11.210 22.195 1.00 0.00 O ATOM 0 H GLY A 86 8.329 -11.088 20.883 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.861 -12.427 21.983 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.715 -11.246 23.270 1.00 0.00 H new ATOM 1217 N LEU A 87 5.435 -10.209 20.502 1.00 0.00 N ATOM 1218 CA LEU A 87 4.232 -9.715 19.853 1.00 0.00 C ATOM 1219 C LEU A 87 3.572 -10.855 19.076 1.00 0.00 C ATOM 1220 O LEU A 87 4.125 -11.950 18.983 1.00 0.00 O ATOM 1221 CB LEU A 87 4.553 -8.490 18.993 1.00 0.00 C ATOM 1222 CG LEU A 87 4.970 -7.229 19.752 1.00 0.00 C ATOM 1223 CD1 LEU A 87 5.407 -6.127 18.785 1.00 0.00 C ATOM 1224 CD2 LEU A 87 3.857 -6.759 20.690 1.00 0.00 C ATOM 0 H LEU A 87 6.306 -9.967 20.029 1.00 0.00 H new ATOM 0 HA LEU A 87 3.510 -9.375 20.596 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.353 -8.755 18.302 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.676 -8.254 18.390 1.00 0.00 H new ATOM 0 HG LEU A 87 5.832 -7.474 20.373 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.698 -5.242 19.350 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.254 -6.476 18.195 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.580 -5.877 18.120 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.180 -5.861 21.217 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.962 -6.537 20.109 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.635 -7.544 21.413 1.00 0.00 H new ATOM 1236 N GLU A 88 2.398 -10.560 18.538 1.00 0.00 N ATOM 1237 CA GLU A 88 1.656 -11.547 17.773 1.00 0.00 C ATOM 1238 C GLU A 88 2.501 -12.058 16.604 1.00 0.00 C ATOM 1239 O GLU A 88 3.531 -11.470 16.275 1.00 0.00 O ATOM 1240 CB GLU A 88 0.327 -10.972 17.278 1.00 0.00 C ATOM 1241 CG GLU A 88 -0.783 -12.024 17.340 1.00 0.00 C ATOM 1242 CD GLU A 88 -1.946 -11.542 18.211 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -1.793 -11.417 19.435 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -3.038 -11.294 17.572 1.00 0.00 O ATOM 0 H GLU A 88 1.942 -9.651 18.617 1.00 0.00 H new ATOM 0 HA GLU A 88 1.429 -12.389 18.427 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.051 -10.110 17.886 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.439 -10.617 16.254 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.142 -12.239 16.334 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.384 -12.956 17.742 1.00 0.00 H new ATOM 1252 N VAL A 89 2.035 -13.146 16.009 1.00 0.00 N ATOM 1253 CA VAL A 89 2.736 -13.742 14.884 1.00 0.00 C ATOM 1254 C VAL A 89 1.938 -13.494 13.602 1.00 0.00 C ATOM 1255 O VAL A 89 2.460 -13.657 12.501 1.00 0.00 O ATOM 1256 CB VAL A 89 2.989 -15.227 15.153 1.00 0.00 C ATOM 1257 CG1 VAL A 89 3.892 -15.832 14.076 1.00 0.00 C ATOM 1258 CG2 VAL A 89 3.580 -15.438 16.548 1.00 0.00 C ATOM 0 H VAL A 89 1.181 -13.630 16.285 1.00 0.00 H new ATOM 0 HA VAL A 89 3.713 -13.278 14.753 1.00 0.00 H new ATOM 0 HB VAL A 89 2.030 -15.744 15.115 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.057 -16.888 14.290 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.415 -15.729 13.101 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.849 -15.310 14.068 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.750 -16.502 16.714 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.526 -14.902 16.627 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.885 -15.060 17.298 1.00 0.00 H new ATOM 1268 N SER A 90 0.686 -13.103 13.789 1.00 0.00 N ATOM 1269 CA SER A 90 -0.189 -12.831 12.662 1.00 0.00 C ATOM 1270 C SER A 90 -0.167 -11.337 12.331 1.00 0.00 C ATOM 1271 O SER A 90 0.031 -10.505 13.215 1.00 0.00 O ATOM 1272 CB SER A 90 -1.620 -13.289 12.951 1.00 0.00 C ATOM 1273 OG SER A 90 -1.717 -14.708 13.047 1.00 0.00 O ATOM 0 H SER A 90 0.257 -12.968 14.704 1.00 0.00 H new ATOM 0 HA SER A 90 0.177 -13.393 11.803 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.964 -12.838 13.882 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.281 -12.933 12.161 1.00 0.00 H new ATOM 0 HG SER A 90 -2.645 -14.961 13.234 1.00 0.00 H new ATOM 1279 N LEU A 91 -0.374 -11.043 11.056 1.00 0.00 N ATOM 1280 CA LEU A 91 -0.381 -9.664 10.598 1.00 0.00 C ATOM 1281 C LEU A 91 -1.484 -8.894 11.327 1.00 0.00 C ATOM 1282 O LEU A 91 -1.407 -7.674 11.466 1.00 0.00 O ATOM 1283 CB LEU A 91 -0.496 -9.606 9.073 1.00 0.00 C ATOM 1284 CG LEU A 91 0.821 -9.469 8.306 1.00 0.00 C ATOM 1285 CD1 LEU A 91 0.633 -9.815 6.828 1.00 0.00 C ATOM 1286 CD2 LEU A 91 1.424 -8.076 8.497 1.00 0.00 C ATOM 0 H LEU A 91 -0.538 -11.736 10.326 1.00 0.00 H new ATOM 0 HA LEU A 91 0.563 -9.177 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.000 -10.510 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.137 -8.765 8.808 1.00 0.00 H new ATOM 0 HG LEU A 91 1.532 -10.186 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.584 -9.710 6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.281 -10.843 6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.100 -9.140 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.359 -8.005 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.726 -7.324 8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.617 -7.905 9.556 1.00 0.00 H new ATOM 1298 N SER A 92 -2.485 -9.638 11.774 1.00 0.00 N ATOM 1299 CA SER A 92 -3.602 -9.041 12.486 1.00 0.00 C ATOM 1300 C SER A 92 -3.086 -8.165 13.629 1.00 0.00 C ATOM 1301 O SER A 92 -3.793 -7.277 14.103 1.00 0.00 O ATOM 1302 CB SER A 92 -4.549 -10.115 13.025 1.00 0.00 C ATOM 1303 OG SER A 92 -4.826 -11.119 12.053 1.00 0.00 O ATOM 0 H SER A 92 -2.546 -10.649 11.657 1.00 0.00 H new ATOM 0 HA SER A 92 -4.162 -8.421 11.786 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.108 -10.577 13.908 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.482 -9.650 13.342 1.00 0.00 H new ATOM 0 HG SER A 92 -5.432 -11.787 12.436 1.00 0.00 H new ATOM 1309 N SER A 93 -1.858 -8.446 14.040 1.00 0.00 N ATOM 1310 CA SER A 93 -1.239 -7.695 15.119 1.00 0.00 C ATOM 1311 C SER A 93 0.042 -7.023 14.621 1.00 0.00 C ATOM 1312 O SER A 93 1.003 -6.876 15.374 1.00 0.00 O ATOM 1313 CB SER A 93 -0.934 -8.599 16.315 1.00 0.00 C ATOM 1314 OG SER A 93 -1.555 -8.131 17.509 1.00 0.00 O ATOM 0 H SER A 93 -1.275 -9.184 13.645 1.00 0.00 H new ATOM 0 HA SER A 93 -1.940 -6.928 15.448 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.276 -9.611 16.101 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.144 -8.652 16.464 1.00 0.00 H new ATOM 0 HG SER A 93 -0.892 -8.095 18.230 1.00 0.00 H new ATOM 1320 N LEU A 94 0.014 -6.633 13.355 1.00 0.00 N ATOM 1321 CA LEU A 94 1.161 -5.980 12.748 1.00 0.00 C ATOM 1322 C LEU A 94 0.799 -4.533 12.409 1.00 0.00 C ATOM 1323 O LEU A 94 -0.324 -4.096 12.657 1.00 0.00 O ATOM 1324 CB LEU A 94 1.663 -6.785 11.548 1.00 0.00 C ATOM 1325 CG LEU A 94 2.702 -7.867 11.853 1.00 0.00 C ATOM 1326 CD1 LEU A 94 3.987 -7.252 12.410 1.00 0.00 C ATOM 1327 CD2 LEU A 94 2.124 -8.933 12.787 1.00 0.00 C ATOM 0 H LEU A 94 -0.785 -6.757 12.733 1.00 0.00 H new ATOM 0 HA LEU A 94 1.994 -5.944 13.450 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.806 -7.257 11.068 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.091 -6.092 10.824 1.00 0.00 H new ATOM 0 HG LEU A 94 2.963 -8.364 10.919 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.708 -8.042 12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.407 -6.561 11.679 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.763 -6.713 13.331 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.882 -9.690 12.988 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.818 -8.468 13.724 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.260 -9.401 12.315 1.00 0.00 H new ATOM 1339 N SER A 95 1.770 -3.829 11.846 1.00 0.00 N ATOM 1340 CA SER A 95 1.567 -2.440 11.471 1.00 0.00 C ATOM 1341 C SER A 95 1.659 -1.545 12.708 1.00 0.00 C ATOM 1342 O SER A 95 1.086 -0.457 12.735 1.00 0.00 O ATOM 1343 CB SER A 95 0.218 -2.249 10.776 1.00 0.00 C ATOM 1344 OG SER A 95 -0.815 -1.916 11.699 1.00 0.00 O ATOM 0 H SER A 95 2.700 -4.195 11.640 1.00 0.00 H new ATOM 0 HA SER A 95 2.350 -2.158 10.768 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.304 -1.461 10.028 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.050 -3.163 10.246 1.00 0.00 H new ATOM 0 HG SER A 95 -1.088 -2.720 12.189 1.00 0.00 H new ATOM 1350 N LEU A 96 2.385 -2.035 13.701 1.00 0.00 N ATOM 1351 CA LEU A 96 2.560 -1.293 14.938 1.00 0.00 C ATOM 1352 C LEU A 96 4.000 -0.783 15.023 1.00 0.00 C ATOM 1353 O LEU A 96 4.707 -0.738 14.018 1.00 0.00 O ATOM 1354 CB LEU A 96 2.136 -2.143 16.138 1.00 0.00 C ATOM 1355 CG LEU A 96 1.228 -3.334 15.828 1.00 0.00 C ATOM 1356 CD1 LEU A 96 1.317 -4.392 16.930 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -0.212 -2.878 15.587 1.00 0.00 C ATOM 0 H LEU A 96 2.859 -2.938 13.675 1.00 0.00 H new ATOM 0 HA LEU A 96 1.911 -0.418 14.952 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.035 -2.515 16.630 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.625 -1.498 16.853 1.00 0.00 H new ATOM 0 HG LEU A 96 1.577 -3.799 14.906 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.662 -5.228 16.685 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.344 -4.747 17.011 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.008 -3.955 17.880 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.836 -3.744 15.369 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.588 -2.375 16.478 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.239 -2.189 14.743 1.00 0.00 H new ATOM 1369 N ALA A 97 4.392 -0.412 16.233 1.00 0.00 N ATOM 1370 CA ALA A 97 5.735 0.092 16.463 1.00 0.00 C ATOM 1371 C ALA A 97 6.584 -1.004 17.110 1.00 0.00 C ATOM 1372 O ALA A 97 7.009 -0.870 18.256 1.00 0.00 O ATOM 1373 CB ALA A 97 5.666 1.358 17.320 1.00 0.00 C ATOM 0 H ALA A 97 3.803 -0.450 17.065 1.00 0.00 H new ATOM 0 HA ALA A 97 6.209 0.362 15.520 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.674 1.736 17.492 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.078 2.116 16.803 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.197 1.125 18.276 1.00 0.00 H new ATOM 1379 N VAL A 98 6.805 -2.065 16.347 1.00 0.00 N ATOM 1380 CA VAL A 98 7.595 -3.184 16.832 1.00 0.00 C ATOM 1381 C VAL A 98 9.074 -2.793 16.839 1.00 0.00 C ATOM 1382 O VAL A 98 9.485 -1.892 16.110 1.00 0.00 O ATOM 1383 CB VAL A 98 7.310 -4.429 15.990 1.00 0.00 C ATOM 1384 CG1 VAL A 98 5.806 -4.691 15.891 1.00 0.00 C ATOM 1385 CG2 VAL A 98 7.938 -4.307 14.600 1.00 0.00 C ATOM 0 H VAL A 98 6.451 -2.173 15.397 1.00 0.00 H new ATOM 0 HA VAL A 98 7.319 -3.431 17.857 1.00 0.00 H new ATOM 0 HB VAL A 98 7.767 -5.283 16.490 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.631 -5.581 15.287 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.397 -4.843 16.890 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.317 -3.835 15.425 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.720 -5.205 14.022 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.524 -3.438 14.089 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.017 -4.191 14.697 1.00 0.00 H new ATOM 1395 N PRO A 99 9.853 -3.508 17.693 1.00 0.00 N ATOM 1396 CA PRO A 99 11.278 -3.245 17.805 1.00 0.00 C ATOM 1397 C PRO A 99 12.035 -3.800 16.596 1.00 0.00 C ATOM 1398 O PRO A 99 11.449 -4.471 15.748 1.00 0.00 O ATOM 1399 CB PRO A 99 11.696 -3.893 19.115 1.00 0.00 C ATOM 1400 CG PRO A 99 10.598 -4.887 19.457 1.00 0.00 C ATOM 1401 CD PRO A 99 9.401 -4.583 18.572 1.00 0.00 C ATOM 0 HA PRO A 99 11.510 -2.180 17.811 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.659 -4.394 19.013 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.807 -3.147 19.902 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.943 -5.908 19.294 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.325 -4.807 20.509 1.00 0.00 H new ATOM 0 HD2 PRO A 99 9.098 -5.460 18.001 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.539 -4.275 19.164 1.00 0.00 H new ATOM 1409 N PRO A 100 13.358 -3.491 16.556 1.00 0.00 N ATOM 1410 CA PRO A 100 14.201 -3.950 15.465 1.00 0.00 C ATOM 1411 C PRO A 100 14.518 -5.440 15.607 1.00 0.00 C ATOM 1412 O PRO A 100 14.658 -5.945 16.720 1.00 0.00 O ATOM 1413 CB PRO A 100 15.439 -3.071 15.527 1.00 0.00 C ATOM 1414 CG PRO A 100 15.454 -2.470 16.923 1.00 0.00 C ATOM 1415 CD PRO A 100 14.085 -2.698 17.543 1.00 0.00 C ATOM 0 HA PRO A 100 13.715 -3.863 14.493 1.00 0.00 H new ATOM 0 HB2 PRO A 100 16.341 -3.654 15.343 1.00 0.00 H new ATOM 0 HB3 PRO A 100 15.403 -2.291 14.766 1.00 0.00 H new ATOM 0 HG2 PRO A 100 16.230 -2.935 17.530 1.00 0.00 H new ATOM 0 HG3 PRO A 100 15.680 -1.405 16.878 1.00 0.00 H new ATOM 0 HD2 PRO A 100 14.164 -3.225 18.494 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.579 -1.754 17.743 1.00 0.00 H new ATOM 1423 N PRO A 101 14.624 -6.120 14.434 1.00 0.00 N ATOM 1424 CA PRO A 101 14.922 -7.542 14.417 1.00 0.00 C ATOM 1425 C PRO A 101 16.396 -7.798 14.738 1.00 0.00 C ATOM 1426 O PRO A 101 17.078 -6.926 15.274 1.00 0.00 O ATOM 1427 CB PRO A 101 14.527 -8.010 13.026 1.00 0.00 C ATOM 1428 CG PRO A 101 14.462 -6.757 12.168 1.00 0.00 C ATOM 1429 CD PRO A 101 14.464 -5.555 13.097 1.00 0.00 C ATOM 0 HA PRO A 101 14.374 -8.095 15.180 1.00 0.00 H new ATOM 0 HB2 PRO A 101 15.256 -8.717 12.630 1.00 0.00 H new ATOM 0 HB3 PRO A 101 13.564 -8.521 13.044 1.00 0.00 H new ATOM 0 HG2 PRO A 101 15.313 -6.715 11.488 1.00 0.00 H new ATOM 0 HG3 PRO A 101 13.562 -6.762 11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 101 15.277 -4.870 12.857 1.00 0.00 H new ATOM 0 HD3 PRO A 101 13.536 -4.989 13.015 1.00 0.00 H new ATOM 1437 N ARG A 102 16.843 -8.997 14.397 1.00 0.00 N ATOM 1438 CA ARG A 102 18.224 -9.378 14.643 1.00 0.00 C ATOM 1439 C ARG A 102 19.038 -9.284 13.351 1.00 0.00 C ATOM 1440 O ARG A 102 20.235 -9.002 13.387 1.00 0.00 O ATOM 1441 CB ARG A 102 18.312 -10.804 15.191 1.00 0.00 C ATOM 1442 CG ARG A 102 19.378 -10.906 16.284 1.00 0.00 C ATOM 1443 CD ARG A 102 18.756 -11.321 17.619 1.00 0.00 C ATOM 1444 NE ARG A 102 18.393 -10.119 18.403 1.00 0.00 N ATOM 1445 CZ ARG A 102 18.162 -10.124 19.733 1.00 0.00 C ATOM 1446 NH1 ARG A 102 18.255 -11.270 20.440 1.00 0.00 N ATOM 1447 NH2 ARG A 102 17.844 -8.991 20.332 1.00 0.00 N ATOM 0 H ARG A 102 16.274 -9.718 13.953 1.00 0.00 H new ATOM 0 HA ARG A 102 18.632 -8.690 15.384 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.344 -11.103 15.593 1.00 0.00 H new ATOM 0 HB3 ARG A 102 18.549 -11.495 14.382 1.00 0.00 H new ATOM 0 HG2 ARG A 102 20.136 -11.632 15.991 1.00 0.00 H new ATOM 0 HG3 ARG A 102 19.882 -9.946 16.396 1.00 0.00 H new ATOM 0 HD2 ARG A 102 17.870 -11.932 17.443 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.459 -11.934 18.182 1.00 0.00 H new ATOM 0 HE ARG A 102 18.312 -9.231 17.907 1.00 0.00 H new ATOM 0 HH11 ARG A 102 18.501 -12.141 19.970 1.00 0.00 H new ATOM 0 HH12 ARG A 102 18.079 -11.265 21.445 1.00 0.00 H new ATOM 0 HH21 ARG A 102 17.776 -8.129 19.790 1.00 0.00 H new ATOM 0 HH22 ARG A 102 17.666 -8.977 21.336 1.00 0.00 H new ATOM 1460 N PHE A 103 18.357 -9.526 12.241 1.00 0.00 N ATOM 1461 CA PHE A 103 19.002 -9.472 10.940 1.00 0.00 C ATOM 1462 C PHE A 103 20.005 -8.318 10.873 1.00 0.00 C ATOM 1463 O PHE A 103 19.943 -7.390 11.677 1.00 0.00 O ATOM 1464 CB PHE A 103 17.901 -9.237 9.904 1.00 0.00 C ATOM 1465 CG PHE A 103 16.674 -10.132 10.085 1.00 0.00 C ATOM 1466 CD1 PHE A 103 16.770 -11.470 9.861 1.00 0.00 C ATOM 1467 CD2 PHE A 103 15.488 -9.591 10.471 1.00 0.00 C ATOM 1468 CE1 PHE A 103 15.631 -12.302 10.029 1.00 0.00 C ATOM 1469 CE2 PHE A 103 14.349 -10.422 10.640 1.00 0.00 C ATOM 1470 CZ PHE A 103 14.445 -11.760 10.415 1.00 0.00 C ATOM 0 H PHE A 103 17.365 -9.760 12.215 1.00 0.00 H new ATOM 0 HA PHE A 103 19.543 -10.400 10.754 1.00 0.00 H new ATOM 0 HB2 PHE A 103 17.587 -8.194 9.953 1.00 0.00 H new ATOM 0 HB3 PHE A 103 18.313 -9.400 8.908 1.00 0.00 H new ATOM 0 HD1 PHE A 103 17.712 -11.900 9.555 1.00 0.00 H new ATOM 0 HD2 PHE A 103 15.412 -8.529 10.649 1.00 0.00 H new ATOM 0 HE1 PHE A 103 15.707 -13.364 9.850 1.00 0.00 H new ATOM 0 HE2 PHE A 103 13.407 -9.992 10.947 1.00 0.00 H new ATOM 0 HZ PHE A 103 13.579 -12.392 10.543 1.00 0.00 H new ATOM 1480 N HIS A 104 20.905 -8.414 9.905 1.00 0.00 N ATOM 1481 CA HIS A 104 21.919 -7.390 9.723 1.00 0.00 C ATOM 1482 C HIS A 104 21.254 -6.079 9.299 1.00 0.00 C ATOM 1483 O HIS A 104 20.079 -6.064 8.936 1.00 0.00 O ATOM 1484 CB HIS A 104 22.991 -7.857 8.736 1.00 0.00 C ATOM 1485 CG HIS A 104 24.231 -8.414 9.394 1.00 0.00 C ATOM 1486 ND1 HIS A 104 25.414 -8.625 8.707 1.00 0.00 N ATOM 1487 CD2 HIS A 104 24.460 -8.799 10.682 1.00 0.00 C ATOM 1488 CE1 HIS A 104 26.307 -9.117 9.553 1.00 0.00 C ATOM 1489 NE2 HIS A 104 25.714 -9.224 10.777 1.00 0.00 N ATOM 0 H HIS A 104 20.953 -9.185 9.239 1.00 0.00 H new ATOM 0 HA HIS A 104 22.431 -7.208 10.668 1.00 0.00 H new ATOM 0 HB2 HIS A 104 22.564 -8.620 8.085 1.00 0.00 H new ATOM 0 HB3 HIS A 104 23.275 -7.018 8.100 1.00 0.00 H new ATOM 0 HD2 HIS A 104 23.742 -8.764 11.488 1.00 0.00 H new ATOM 0 HE1 HIS A 104 27.326 -9.386 9.315 1.00 0.00 H new ATOM 0 HE2 HIS A 104 26.160 -9.573 11.625 1.00 0.00 H new ATOM 1497 N ASP A 105 22.035 -5.010 9.359 1.00 0.00 N ATOM 1498 CA ASP A 105 21.536 -3.698 8.986 1.00 0.00 C ATOM 1499 C ASP A 105 20.700 -3.818 7.710 1.00 0.00 C ATOM 1500 O ASP A 105 19.493 -4.043 7.774 1.00 0.00 O ATOM 1501 CB ASP A 105 22.688 -2.730 8.706 1.00 0.00 C ATOM 1502 CG ASP A 105 22.661 -1.438 9.526 1.00 0.00 C ATOM 1503 OD1 ASP A 105 21.794 -0.574 9.328 1.00 0.00 O ATOM 1504 OD2 ASP A 105 23.592 -1.336 10.413 1.00 0.00 O ATOM 0 H ASP A 105 23.009 -5.026 9.660 1.00 0.00 H new ATOM 0 HA ASP A 105 20.937 -3.318 9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 105 23.630 -3.244 8.898 1.00 0.00 H new ATOM 0 HB3 ASP A 105 22.676 -2.471 7.647 1.00 0.00 H new TER 1510 ASP A 105