USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 965 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 46 SER OG : rot -120:sc= 0.0671 USER MOD Set 1.2: A 98 GLN : amide:sc= -0.468 K(o=0.38,f=1.5) USER MOD Set 1.3: A 102 ASN : amide:sc= 0.78 K(o=0.38,f=1.5) USER MOD Set 2.1: A 18 GLN : amide:sc= -1.15! K(o=-0.014!,f=-1.3) USER MOD Set 2.2: A 97 TYR OH : rot 162:sc= 1.14 USER MOD Set 3.1: A 8 GLN : amide:sc= 0.221 K(o=0.5,f=-9.5!) USER MOD Set 3.2: A 12 LYS NZ :NH3+ 162:sc= 0.283 (180deg=-0.2) USER MOD Single : A 1 SER N :NH3+ -150:sc= 0.0601 (180deg=-0.332!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -164:sc= -0.0858 (180deg=-0.506) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.107 USER MOD Single : A 21 LYS NZ :NH3+ -118:sc= 1.21 (180deg=0.688) USER MOD Single : A 26 GLN : amide:sc= -0.0824 K(o=-0.082,f=-0.74) USER MOD Single : A 28 SER OG : rot -161:sc= 1.21 USER MOD Single : A 29 SER OG : rot 35:sc= 0.505 USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0445 (180deg=-0.373) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 43 TYR OH : rot -166:sc= 0.537 USER MOD Single : A 44 SER OG : rot 77:sc= 1.59 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot -137:sc= -0.315 USER MOD Single : A 59 CYS SG : rot -158:sc= 0.898 USER MOD Single : A 60 LYS NZ :NH3+ 135:sc= 1.23 (180deg=-0.0592) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 72 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.09) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -2.07 X(o=-2.1,f=-1.9) USER MOD Single : A 87 TYR OH : rot 130:sc= -0.105 USER MOD Single : A 92 TYR OH : rot -94:sc= -0.0474 USER MOD Single : A 94 TYR OH : rot 161:sc= -0.983! USER MOD Single : A 96 MET CE :methyl -158:sc= -0.142 (180deg=-0.72) USER MOD Single : A 99 SER OG : rot 149:sc= 0.91 USER MOD Single : A 105 CYS SG : rot -31:sc= 0.21 USER MOD Single : A 106 ASN : amide:sc= -2.91! K(o=-2.9!,f=-4.2) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.135 X(o=0.14,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 151:sc= -1.04! (180deg=-3.28!) USER MOD Single : A 117 LYS NZ :NH3+ -170:sc= -0.0053 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.807 15.177 -4.222 1.00 0.00 N ATOM 2 CA SER A 1 2.932 14.579 -5.568 1.00 0.00 C ATOM 3 C SER A 1 3.793 13.315 -5.510 1.00 0.00 C ATOM 4 O SER A 1 4.146 12.852 -4.426 1.00 0.00 O ATOM 5 CB SER A 1 3.530 15.610 -6.531 1.00 0.00 C ATOM 6 OG SER A 1 2.697 16.757 -6.623 1.00 0.00 O ATOM 0 H1 SER A 1 1.894 15.668 -4.144 1.00 0.00 H new ATOM 0 H2 SER A 1 2.859 14.427 -3.503 1.00 0.00 H new ATOM 0 H3 SER A 1 3.580 15.856 -4.071 1.00 0.00 H new ATOM 0 HA SER A 1 1.945 14.293 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.522 15.902 -6.188 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.653 15.164 -7.518 1.00 0.00 H new ATOM 0 HG SER A 1 3.097 17.403 -7.241 1.00 0.00 H new ATOM 14 N MET A 2 4.133 12.762 -6.675 1.00 0.00 N ATOM 15 CA MET A 2 4.908 11.521 -6.745 1.00 0.00 C ATOM 16 C MET A 2 6.404 11.802 -6.580 1.00 0.00 C ATOM 17 O MET A 2 7.182 10.905 -6.247 1.00 0.00 O ATOM 18 CB MET A 2 4.651 10.810 -8.084 1.00 0.00 C ATOM 19 CG MET A 2 3.183 10.473 -8.332 1.00 0.00 C ATOM 20 SD MET A 2 2.498 9.344 -7.102 1.00 0.00 S ATOM 21 CE MET A 2 3.486 7.876 -7.384 1.00 0.00 C ATOM 0 H MET A 2 3.884 13.153 -7.583 1.00 0.00 H new ATOM 0 HA MET A 2 4.588 10.873 -5.929 1.00 0.00 H new ATOM 0 HB2 MET A 2 5.011 11.443 -8.895 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.235 9.890 -8.114 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.600 11.394 -8.335 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.081 10.028 -9.322 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.006 7.018 -6.913 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.576 7.698 -8.456 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.478 8.017 -6.955 1.00 0.00 H new ATOM 31 N ASN A 3 6.796 13.053 -6.812 1.00 0.00 N ATOM 32 CA ASN A 3 8.201 13.461 -6.713 1.00 0.00 C ATOM 33 C ASN A 3 8.758 13.190 -5.317 1.00 0.00 C ATOM 34 O ASN A 3 9.907 12.772 -5.170 1.00 0.00 O ATOM 35 CB ASN A 3 8.358 14.947 -7.066 1.00 0.00 C ATOM 36 CG ASN A 3 9.807 15.417 -7.014 1.00 0.00 C ATOM 37 OD1 ASN A 3 10.294 15.853 -5.970 1.00 0.00 O ATOM 38 ND2 ASN A 3 10.503 15.335 -8.139 1.00 0.00 N ATOM 0 H ASN A 3 6.159 13.807 -7.071 1.00 0.00 H new ATOM 0 HA ASN A 3 8.770 12.867 -7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.960 15.122 -8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.762 15.544 -6.376 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.477 15.639 -8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.065 14.968 -8.984 1.00 0.00 H new ATOM 45 N GLU A 4 7.932 13.407 -4.294 1.00 0.00 N ATOM 46 CA GLU A 4 8.345 13.172 -2.909 1.00 0.00 C ATOM 47 C GLU A 4 8.718 11.704 -2.700 1.00 0.00 C ATOM 48 O GLU A 4 9.479 11.365 -1.791 1.00 0.00 O ATOM 49 CB GLU A 4 7.244 13.585 -1.916 1.00 0.00 C ATOM 50 CG GLU A 4 6.909 15.079 -1.934 1.00 0.00 C ATOM 51 CD GLU A 4 5.759 15.433 -2.870 1.00 0.00 C ATOM 52 OE1 GLU A 4 5.909 15.291 -4.101 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.695 15.866 -2.377 1.00 0.00 O ATOM 0 H GLU A 4 6.975 13.744 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 4 9.222 13.790 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.339 13.019 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.555 13.306 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.656 15.399 -0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.795 15.638 -2.233 1.00 0.00 H new ATOM 60 N LEU A 5 8.176 10.836 -3.548 1.00 0.00 N ATOM 61 CA LEU A 5 8.520 9.419 -3.520 1.00 0.00 C ATOM 62 C LEU A 5 9.775 9.186 -4.360 1.00 0.00 C ATOM 63 O LEU A 5 10.667 8.429 -3.972 1.00 0.00 O ATOM 64 CB LEU A 5 7.349 8.571 -4.046 1.00 0.00 C ATOM 65 CG LEU A 5 7.497 7.051 -3.855 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.677 6.709 -2.379 1.00 0.00 C ATOM 67 CD2 LEU A 5 6.291 6.314 -4.436 1.00 0.00 C ATOM 0 H LEU A 5 7.496 11.090 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 5 8.718 9.117 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.435 8.895 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.223 8.776 -5.109 1.00 0.00 H new ATOM 0 HG LEU A 5 8.387 6.725 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.780 5.630 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.572 7.201 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.808 7.052 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.416 5.241 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.384 6.646 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.212 6.529 -5.502 1.00 0.00 H new ATOM 79 N GLU A 6 9.846 9.878 -5.501 1.00 0.00 N ATOM 80 CA GLU A 6 11.009 9.809 -6.391 1.00 0.00 C ATOM 81 C GLU A 6 12.164 10.633 -5.813 1.00 0.00 C ATOM 82 O GLU A 6 13.213 10.776 -6.440 1.00 0.00 O ATOM 83 CB GLU A 6 10.640 10.294 -7.811 1.00 0.00 C ATOM 84 CG GLU A 6 11.128 9.383 -8.947 1.00 0.00 C ATOM 85 CD GLU A 6 12.650 9.284 -9.066 1.00 0.00 C ATOM 86 OE1 GLU A 6 13.297 10.323 -9.339 1.00 0.00 O ATOM 87 OE2 GLU A 6 13.201 8.166 -8.916 1.00 0.00 O ATOM 0 H GLU A 6 9.106 10.497 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 6 11.330 8.770 -6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.556 10.387 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.055 11.291 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.722 8.383 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.725 9.751 -9.890 1.00 0.00 H new ATOM 94 N ALA A 7 11.945 11.224 -4.635 1.00 0.00 N ATOM 95 CA ALA A 7 13.029 11.836 -3.868 1.00 0.00 C ATOM 96 C ALA A 7 14.199 10.859 -3.765 1.00 0.00 C ATOM 97 O ALA A 7 15.366 11.253 -3.769 1.00 0.00 O ATOM 98 CB ALA A 7 12.542 12.245 -2.482 1.00 0.00 C ATOM 0 H ALA A 7 11.028 11.291 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 7 13.365 12.736 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 7 13.363 12.698 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.729 12.965 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.185 11.365 -1.947 1.00 0.00 H new ATOM 104 N GLN A 8 13.863 9.574 -3.676 1.00 0.00 N ATOM 105 CA GLN A 8 14.840 8.509 -3.836 1.00 0.00 C ATOM 106 C GLN A 8 14.966 8.241 -5.335 1.00 0.00 C ATOM 107 O GLN A 8 13.956 8.192 -6.032 1.00 0.00 O ATOM 108 CB GLN A 8 14.363 7.267 -3.073 1.00 0.00 C ATOM 109 CG GLN A 8 13.968 7.571 -1.627 1.00 0.00 C ATOM 110 CD GLN A 8 13.379 6.377 -0.898 1.00 0.00 C ATOM 111 OE1 GLN A 8 13.734 5.235 -1.162 1.00 0.00 O ATOM 112 NE2 GLN A 8 12.459 6.635 0.020 1.00 0.00 N ATOM 0 H GLN A 8 12.914 9.248 -3.493 1.00 0.00 H new ATOM 0 HA GLN A 8 15.815 8.783 -3.432 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.510 6.833 -3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.155 6.518 -3.078 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.846 7.921 -1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.243 8.385 -1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.188 7.599 0.214 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.022 5.870 0.533 1.00 0.00 H new ATOM 121 N THR A 9 16.175 8.017 -5.830 1.00 0.00 N ATOM 122 CA THR A 9 16.443 8.234 -7.254 1.00 0.00 C ATOM 123 C THR A 9 16.615 6.952 -8.073 1.00 0.00 C ATOM 124 O THR A 9 17.318 6.020 -7.674 1.00 0.00 O ATOM 125 CB THR A 9 17.698 9.120 -7.425 1.00 0.00 C ATOM 126 OG1 THR A 9 17.563 10.307 -6.625 1.00 0.00 O ATOM 127 CG2 THR A 9 17.907 9.517 -8.886 1.00 0.00 C ATOM 0 H THR A 9 16.974 7.692 -5.285 1.00 0.00 H new ATOM 0 HA THR A 9 15.554 8.728 -7.645 1.00 0.00 H new ATOM 0 HB THR A 9 18.564 8.543 -7.100 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.360 10.867 -6.733 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.798 10.139 -8.970 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.033 8.620 -9.492 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.040 10.075 -9.239 1.00 0.00 H new ATOM 135 N ARG A 10 15.914 6.924 -9.215 1.00 0.00 N ATOM 136 CA ARG A 10 16.152 5.962 -10.301 1.00 0.00 C ATOM 137 C ARG A 10 15.864 4.519 -9.883 1.00 0.00 C ATOM 138 O ARG A 10 16.092 3.577 -10.643 1.00 0.00 O ATOM 139 CB ARG A 10 17.603 6.117 -10.796 1.00 0.00 C ATOM 140 CG ARG A 10 17.933 5.360 -12.078 1.00 0.00 C ATOM 141 CD ARG A 10 19.383 5.578 -12.490 1.00 0.00 C ATOM 142 NE ARG A 10 19.738 4.816 -13.685 1.00 0.00 N ATOM 143 CZ ARG A 10 20.513 3.732 -13.678 1.00 0.00 C ATOM 144 NH1 ARG A 10 20.974 3.241 -12.531 1.00 0.00 N ATOM 145 NH2 ARG A 10 20.819 3.129 -14.816 1.00 0.00 N ATOM 0 H ARG A 10 15.156 7.577 -9.413 1.00 0.00 H new ATOM 0 HA ARG A 10 15.458 6.183 -11.112 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.805 7.176 -10.956 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.277 5.779 -10.009 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.750 4.295 -11.932 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.271 5.690 -12.879 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.551 6.639 -12.675 1.00 0.00 H new ATOM 0 HD3 ARG A 10 20.039 5.290 -11.669 1.00 0.00 H new ATOM 0 HE ARG A 10 19.369 5.134 -14.581 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.735 3.695 -11.649 1.00 0.00 H new ATOM 0 HH12 ARG A 10 21.567 2.411 -12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.462 3.494 -15.699 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.412 2.299 -14.810 1.00 0.00 H new ATOM 159 N VAL A 11 15.341 4.352 -8.684 1.00 0.00 N ATOM 160 CA VAL A 11 14.755 3.088 -8.264 1.00 0.00 C ATOM 161 C VAL A 11 13.254 3.275 -8.151 1.00 0.00 C ATOM 162 O VAL A 11 12.473 2.322 -8.220 1.00 0.00 O ATOM 163 CB VAL A 11 15.340 2.609 -6.916 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.060 3.626 -5.813 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.802 1.225 -6.544 1.00 0.00 C ATOM 0 H VAL A 11 15.309 5.084 -7.974 1.00 0.00 H new ATOM 0 HA VAL A 11 14.989 2.322 -9.003 1.00 0.00 H new ATOM 0 HB VAL A 11 16.421 2.524 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.481 3.268 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.516 4.581 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.983 3.756 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.230 0.912 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.716 1.268 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.076 0.508 -7.318 1.00 0.00 H new ATOM 175 N LYS A 12 12.862 4.534 -7.977 1.00 0.00 N ATOM 176 CA LYS A 12 11.463 4.901 -7.900 1.00 0.00 C ATOM 177 C LYS A 12 10.899 5.116 -9.300 1.00 0.00 C ATOM 178 O LYS A 12 9.741 4.819 -9.544 1.00 0.00 O ATOM 179 CB LYS A 12 11.294 6.161 -7.044 1.00 0.00 C ATOM 180 CG LYS A 12 11.659 5.965 -5.573 1.00 0.00 C ATOM 181 CD LYS A 12 10.692 5.013 -4.873 1.00 0.00 C ATOM 182 CE LYS A 12 10.946 4.933 -3.369 1.00 0.00 C ATOM 183 NZ LYS A 12 12.263 4.319 -3.041 1.00 0.00 N ATOM 0 H LYS A 12 13.506 5.320 -7.887 1.00 0.00 H new ATOM 0 HA LYS A 12 10.908 4.090 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.914 6.956 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.259 6.497 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.673 5.573 -5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.652 6.929 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.668 5.343 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.785 4.018 -5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.901 5.935 -2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.152 4.352 -2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.523 4.557 -2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.199 3.286 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.988 4.685 -3.691 1.00 0.00 H new ATOM 197 N LEU A 13 11.731 5.618 -10.216 1.00 0.00 N ATOM 198 CA LEU A 13 11.320 5.836 -11.611 1.00 0.00 C ATOM 199 C LEU A 13 10.569 4.626 -12.180 1.00 0.00 C ATOM 200 O LEU A 13 9.386 4.726 -12.529 1.00 0.00 O ATOM 201 CB LEU A 13 12.541 6.146 -12.494 1.00 0.00 C ATOM 202 CG LEU A 13 13.189 7.522 -12.275 1.00 0.00 C ATOM 203 CD1 LEU A 13 14.438 7.674 -13.141 1.00 0.00 C ATOM 204 CD2 LEU A 13 12.191 8.643 -12.568 1.00 0.00 C ATOM 0 H LEU A 13 12.696 5.883 -10.019 1.00 0.00 H new ATOM 0 HA LEU A 13 10.643 6.690 -11.615 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.295 5.378 -12.322 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.240 6.069 -13.539 1.00 0.00 H new ATOM 0 HG LEU A 13 13.487 7.595 -11.229 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.882 8.655 -12.971 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.159 6.900 -12.879 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.166 7.576 -14.192 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.671 9.608 -12.407 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.858 8.572 -13.603 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.332 8.549 -11.903 1.00 0.00 H new ATOM 216 N ASN A 14 11.257 3.485 -12.264 1.00 0.00 N ATOM 217 CA ASN A 14 10.664 2.262 -12.825 1.00 0.00 C ATOM 218 C ASN A 14 9.385 1.871 -12.077 1.00 0.00 C ATOM 219 O ASN A 14 8.333 1.613 -12.686 1.00 0.00 O ATOM 220 CB ASN A 14 11.670 1.103 -12.766 1.00 0.00 C ATOM 221 CG ASN A 14 11.100 -0.198 -13.314 1.00 0.00 C ATOM 222 OD1 ASN A 14 10.499 -0.986 -12.581 1.00 0.00 O ATOM 223 ND2 ASN A 14 11.281 -0.432 -14.605 1.00 0.00 N ATOM 0 H ASN A 14 12.223 3.379 -11.953 1.00 0.00 H new ATOM 0 HA ASN A 14 10.408 2.466 -13.865 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.561 1.372 -13.333 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.983 0.951 -11.733 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.918 -1.288 -15.024 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.784 0.244 -15.180 1.00 0.00 H new ATOM 230 N TYR A 15 9.481 1.851 -10.749 1.00 0.00 N ATOM 231 CA TYR A 15 8.365 1.454 -9.896 1.00 0.00 C ATOM 232 C TYR A 15 7.168 2.376 -10.108 1.00 0.00 C ATOM 233 O TYR A 15 6.030 1.919 -10.171 1.00 0.00 O ATOM 234 CB TYR A 15 8.793 1.478 -8.424 1.00 0.00 C ATOM 235 CG TYR A 15 7.716 1.019 -7.453 1.00 0.00 C ATOM 236 CD1 TYR A 15 7.515 -0.334 -7.193 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.907 1.938 -6.790 1.00 0.00 C ATOM 238 CE1 TYR A 15 6.542 -0.756 -6.305 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.932 1.524 -5.904 1.00 0.00 C ATOM 240 CZ TYR A 15 5.754 0.177 -5.663 1.00 0.00 C ATOM 241 OH TYR A 15 4.783 -0.238 -4.779 1.00 0.00 O ATOM 0 H TYR A 15 10.326 2.107 -10.239 1.00 0.00 H new ATOM 0 HA TYR A 15 8.070 0.440 -10.165 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.670 0.843 -8.302 1.00 0.00 H new ATOM 0 HB3 TYR A 15 9.094 2.492 -8.162 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.130 -1.067 -7.694 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.044 2.994 -6.972 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.400 -1.810 -6.115 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.311 2.251 -5.402 1.00 0.00 H new ATOM 0 HH TYR A 15 5.061 -1.079 -4.359 1.00 0.00 H new ATOM 251 N LEU A 16 7.439 3.670 -10.231 1.00 0.00 N ATOM 252 CA LEU A 16 6.393 4.672 -10.417 1.00 0.00 C ATOM 253 C LEU A 16 5.760 4.531 -11.793 1.00 0.00 C ATOM 254 O LEU A 16 4.572 4.784 -11.960 1.00 0.00 O ATOM 255 CB LEU A 16 6.945 6.095 -10.213 1.00 0.00 C ATOM 256 CG LEU A 16 6.849 6.643 -8.774 1.00 0.00 C ATOM 257 CD1 LEU A 16 7.488 5.690 -7.769 1.00 0.00 C ATOM 258 CD2 LEU A 16 7.487 8.027 -8.680 1.00 0.00 C ATOM 0 H LEU A 16 8.384 4.054 -10.205 1.00 0.00 H new ATOM 0 HA LEU A 16 5.624 4.502 -9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.991 6.108 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.410 6.773 -10.878 1.00 0.00 H new ATOM 0 HG LEU A 16 5.792 6.730 -8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.402 6.108 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.978 4.727 -7.806 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.541 5.553 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.408 8.395 -7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.538 7.963 -8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.971 8.712 -9.353 1.00 0.00 H new ATOM 270 N ASP A 17 6.557 4.117 -12.770 1.00 0.00 N ATOM 271 CA ASP A 17 6.045 3.858 -14.114 1.00 0.00 C ATOM 272 C ASP A 17 4.989 2.760 -14.055 1.00 0.00 C ATOM 273 O ASP A 17 3.836 2.961 -14.448 1.00 0.00 O ATOM 274 CB ASP A 17 7.187 3.449 -15.056 1.00 0.00 C ATOM 275 CG ASP A 17 6.698 3.083 -16.450 1.00 0.00 C ATOM 276 OD1 ASP A 17 6.530 3.994 -17.291 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.487 1.881 -16.714 1.00 0.00 O ATOM 0 H ASP A 17 7.558 3.953 -12.660 1.00 0.00 H new ATOM 0 HA ASP A 17 5.593 4.770 -14.503 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.902 4.268 -15.130 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.719 2.599 -14.628 1.00 0.00 H new ATOM 282 N GLN A 18 5.389 1.609 -13.524 1.00 0.00 N ATOM 283 CA GLN A 18 4.495 0.460 -13.407 1.00 0.00 C ATOM 284 C GLN A 18 3.300 0.798 -12.508 1.00 0.00 C ATOM 285 O GLN A 18 2.141 0.632 -12.904 1.00 0.00 O ATOM 286 CB GLN A 18 5.281 -0.748 -12.856 1.00 0.00 C ATOM 287 CG GLN A 18 4.496 -2.064 -12.791 1.00 0.00 C ATOM 288 CD GLN A 18 3.598 -2.193 -11.564 1.00 0.00 C ATOM 289 OE1 GLN A 18 2.546 -2.827 -11.617 1.00 0.00 O ATOM 290 NE2 GLN A 18 4.017 -1.618 -10.443 1.00 0.00 N ATOM 0 H GLN A 18 6.330 1.446 -13.166 1.00 0.00 H new ATOM 0 HA GLN A 18 4.105 0.204 -14.392 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.164 -0.900 -13.477 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.634 -0.505 -11.854 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.883 -2.154 -13.688 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.200 -2.896 -12.802 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.895 -1.099 -10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.461 -1.695 -9.591 1.00 0.00 H new ATOM 299 N ILE A 19 3.600 1.310 -11.318 1.00 0.00 N ATOM 300 CA ILE A 19 2.587 1.549 -10.291 1.00 0.00 C ATOM 301 C ILE A 19 1.567 2.591 -10.759 1.00 0.00 C ATOM 302 O ILE A 19 0.382 2.498 -10.447 1.00 0.00 O ATOM 303 CB ILE A 19 3.241 2.000 -8.946 1.00 0.00 C ATOM 304 CG1 ILE A 19 2.404 1.536 -7.744 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.444 3.514 -8.893 1.00 0.00 C ATOM 306 CD1 ILE A 19 2.455 0.043 -7.513 1.00 0.00 C ATOM 0 H ILE A 19 4.546 1.570 -11.038 1.00 0.00 H new ATOM 0 HA ILE A 19 2.066 0.607 -10.119 1.00 0.00 H new ATOM 0 HB ILE A 19 4.222 1.528 -8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.756 2.046 -6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.367 1.837 -7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.901 3.787 -7.942 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.096 3.823 -9.710 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.480 4.014 -8.989 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.842 -0.213 -6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.075 -0.475 -8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.485 -0.262 -7.329 1.00 0.00 H new ATOM 318 N ALA A 20 2.032 3.580 -11.522 1.00 0.00 N ATOM 319 CA ALA A 20 1.156 4.640 -12.005 1.00 0.00 C ATOM 320 C ALA A 20 0.275 4.130 -13.129 1.00 0.00 C ATOM 321 O ALA A 20 -0.946 4.252 -13.072 1.00 0.00 O ATOM 322 CB ALA A 20 1.960 5.851 -12.467 1.00 0.00 C ATOM 0 H ALA A 20 3.005 3.667 -11.816 1.00 0.00 H new ATOM 0 HA ALA A 20 0.520 4.953 -11.177 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.280 6.625 -12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.547 6.237 -11.634 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.629 5.557 -13.276 1.00 0.00 H new ATOM 328 N LYS A 21 0.895 3.534 -14.143 1.00 0.00 N ATOM 329 CA LYS A 21 0.162 3.113 -15.330 1.00 0.00 C ATOM 330 C LYS A 21 -0.845 2.015 -15.007 1.00 0.00 C ATOM 331 O LYS A 21 -1.866 1.899 -15.681 1.00 0.00 O ATOM 332 CB LYS A 21 1.122 2.653 -16.439 1.00 0.00 C ATOM 333 CG LYS A 21 2.133 3.710 -16.910 1.00 0.00 C ATOM 334 CD LYS A 21 1.483 4.915 -17.608 1.00 0.00 C ATOM 335 CE LYS A 21 0.954 5.955 -16.624 1.00 0.00 C ATOM 336 NZ LYS A 21 0.457 7.178 -17.308 1.00 0.00 N ATOM 0 H LYS A 21 1.895 3.333 -14.166 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.392 3.979 -15.692 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.671 1.781 -16.083 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.532 2.330 -17.297 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.704 4.063 -16.051 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.842 3.243 -17.594 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.213 5.384 -18.268 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.663 4.566 -18.236 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.148 5.518 -16.035 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.746 6.228 -15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.021 7.998 -17.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.542 7.059 -18.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.541 7.334 -17.059 1.00 0.00 H new ATOM 350 N PHE A 22 -0.575 1.212 -13.981 1.00 0.00 N ATOM 351 CA PHE A 22 -1.532 0.191 -13.568 1.00 0.00 C ATOM 352 C PHE A 22 -2.862 0.836 -13.184 1.00 0.00 C ATOM 353 O PHE A 22 -3.866 0.690 -13.885 1.00 0.00 O ATOM 354 CB PHE A 22 -1.004 -0.650 -12.394 1.00 0.00 C ATOM 355 CG PHE A 22 -2.012 -1.668 -11.909 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.343 -2.762 -12.698 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.645 -1.525 -10.676 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.280 -3.686 -12.273 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.578 -2.449 -10.248 1.00 0.00 C ATOM 360 CZ PHE A 22 -3.896 -3.529 -11.048 1.00 0.00 C ATOM 0 H PHE A 22 0.282 1.247 -13.429 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.681 -0.476 -14.417 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.093 -1.164 -12.701 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.735 0.011 -11.570 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.862 -2.893 -13.656 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.403 -0.681 -10.047 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.530 -4.530 -12.899 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.059 -2.327 -9.289 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.627 -4.251 -10.715 1.00 0.00 H new ATOM 370 N TRP A 23 -2.845 1.580 -12.087 1.00 0.00 N ATOM 371 CA TRP A 23 -4.060 2.137 -11.512 1.00 0.00 C ATOM 372 C TRP A 23 -4.615 3.277 -12.362 1.00 0.00 C ATOM 373 O TRP A 23 -5.831 3.451 -12.462 1.00 0.00 O ATOM 374 CB TRP A 23 -3.789 2.617 -10.080 1.00 0.00 C ATOM 375 CG TRP A 23 -4.999 3.144 -9.366 1.00 0.00 C ATOM 376 CD1 TRP A 23 -5.058 4.249 -8.569 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.324 2.593 -9.386 1.00 0.00 C ATOM 378 NE1 TRP A 23 -6.334 4.420 -8.093 1.00 0.00 N ATOM 379 CE2 TRP A 23 -7.130 3.413 -8.578 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.904 1.485 -10.011 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.486 3.160 -8.380 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.246 1.236 -9.818 1.00 0.00 C ATOM 383 CH2 TRP A 23 -9.027 2.070 -9.008 1.00 0.00 C ATOM 0 H TRP A 23 -1.995 1.813 -11.574 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.814 1.350 -11.490 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.374 1.790 -9.505 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.030 3.398 -10.109 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.222 4.895 -8.345 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.641 5.174 -7.478 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.310 0.834 -10.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -9.089 3.801 -7.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.703 0.384 -10.299 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -10.076 1.849 -8.876 1.00 0.00 H new ATOM 394 N GLU A 24 -3.732 4.041 -12.996 1.00 0.00 N ATOM 395 CA GLU A 24 -4.161 5.207 -13.755 1.00 0.00 C ATOM 396 C GLU A 24 -4.880 4.765 -15.030 1.00 0.00 C ATOM 397 O GLU A 24 -5.975 5.239 -15.339 1.00 0.00 O ATOM 398 CB GLU A 24 -2.962 6.104 -14.089 1.00 0.00 C ATOM 399 CG GLU A 24 -3.333 7.434 -14.735 1.00 0.00 C ATOM 400 CD GLU A 24 -2.119 8.310 -14.994 1.00 0.00 C ATOM 401 OE1 GLU A 24 -1.656 8.991 -14.054 1.00 0.00 O ATOM 402 OE2 GLU A 24 -1.616 8.314 -16.135 1.00 0.00 O ATOM 0 H GLU A 24 -2.726 3.876 -12.999 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.856 5.786 -13.147 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.405 6.301 -13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.294 5.562 -14.758 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.850 7.246 -15.676 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.031 7.967 -14.089 1.00 0.00 H new ATOM 409 N ILE A 25 -4.277 3.816 -15.742 1.00 0.00 N ATOM 410 CA ILE A 25 -4.840 3.321 -16.996 1.00 0.00 C ATOM 411 C ILE A 25 -6.000 2.355 -16.720 1.00 0.00 C ATOM 412 O ILE A 25 -6.759 1.998 -17.628 1.00 0.00 O ATOM 413 CB ILE A 25 -3.751 2.637 -17.868 1.00 0.00 C ATOM 414 CG1 ILE A 25 -2.577 3.606 -18.112 1.00 0.00 C ATOM 415 CG2 ILE A 25 -4.324 2.150 -19.200 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.980 4.914 -18.765 1.00 0.00 C ATOM 0 H ILE A 25 -3.398 3.374 -15.472 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.226 4.175 -17.553 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.386 1.765 -17.325 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.094 3.822 -17.159 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.836 3.112 -18.740 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.535 1.677 -19.784 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.119 1.428 -19.012 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.727 2.998 -19.754 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.098 5.539 -18.902 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.435 4.712 -19.734 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.697 5.433 -18.129 1.00 0.00 H new ATOM 428 N GLN A 26 -6.154 1.953 -15.455 1.00 0.00 N ATOM 429 CA GLN A 26 -7.287 1.118 -15.042 1.00 0.00 C ATOM 430 C GLN A 26 -8.574 1.953 -15.000 1.00 0.00 C ATOM 431 O GLN A 26 -9.662 1.438 -14.725 1.00 0.00 O ATOM 432 CB GLN A 26 -7.015 0.459 -13.677 1.00 0.00 C ATOM 433 CG GLN A 26 -8.032 -0.619 -13.302 1.00 0.00 C ATOM 434 CD GLN A 26 -7.664 -1.385 -12.041 1.00 0.00 C ATOM 435 OE1 GLN A 26 -6.490 -1.561 -11.723 1.00 0.00 O ATOM 436 NE2 GLN A 26 -8.669 -1.846 -11.314 1.00 0.00 N ATOM 0 H GLN A 26 -5.510 2.191 -14.700 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.415 0.322 -15.776 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.018 0.018 -13.689 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.014 1.229 -12.905 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.008 -0.154 -13.164 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.127 -1.321 -14.130 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.631 -1.680 -11.610 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.482 -2.367 -10.457 1.00 0.00 H new ATOM 445 N GLY A 27 -8.442 3.245 -15.300 1.00 0.00 N ATOM 446 CA GLY A 27 -9.586 4.141 -15.320 1.00 0.00 C ATOM 447 C GLY A 27 -9.626 5.023 -14.093 1.00 0.00 C ATOM 448 O GLY A 27 -10.695 5.301 -13.549 1.00 0.00 O ATOM 0 H GLY A 27 -7.553 3.689 -15.531 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.546 4.763 -16.214 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.505 3.557 -15.379 1.00 0.00 H new ATOM 452 N SER A 28 -8.452 5.455 -13.652 1.00 0.00 N ATOM 453 CA SER A 28 -8.330 6.253 -12.441 1.00 0.00 C ATOM 454 C SER A 28 -7.146 7.215 -12.553 1.00 0.00 C ATOM 455 O SER A 28 -6.511 7.314 -13.604 1.00 0.00 O ATOM 456 CB SER A 28 -8.163 5.316 -11.236 1.00 0.00 C ATOM 457 OG SER A 28 -8.014 6.036 -10.025 1.00 0.00 O ATOM 0 H SER A 28 -7.566 5.264 -14.119 1.00 0.00 H new ATOM 0 HA SER A 28 -9.231 6.851 -12.305 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.030 4.659 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.292 4.679 -11.389 1.00 0.00 H new ATOM 0 HG SER A 28 -7.614 5.454 -9.346 1.00 0.00 H new ATOM 463 N SER A 29 -6.872 7.929 -11.470 1.00 0.00 N ATOM 464 CA SER A 29 -5.726 8.822 -11.387 1.00 0.00 C ATOM 465 C SER A 29 -4.958 8.536 -10.100 1.00 0.00 C ATOM 466 O SER A 29 -5.468 8.780 -9.002 1.00 0.00 O ATOM 467 CB SER A 29 -6.199 10.281 -11.418 1.00 0.00 C ATOM 468 OG SER A 29 -7.160 10.525 -10.401 1.00 0.00 O ATOM 0 H SER A 29 -7.440 7.905 -10.623 1.00 0.00 H new ATOM 0 HA SER A 29 -5.067 8.655 -12.239 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.346 10.947 -11.285 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.631 10.507 -12.393 1.00 0.00 H new ATOM 0 HG SER A 29 -6.944 9.986 -9.611 1.00 0.00 H new ATOM 474 N LEU A 30 -3.752 7.990 -10.226 1.00 0.00 N ATOM 475 CA LEU A 30 -2.960 7.633 -9.056 1.00 0.00 C ATOM 476 C LEU A 30 -2.418 8.886 -8.372 1.00 0.00 C ATOM 477 O LEU A 30 -1.524 9.559 -8.894 1.00 0.00 O ATOM 478 CB LEU A 30 -1.803 6.694 -9.425 1.00 0.00 C ATOM 479 CG LEU A 30 -0.957 6.213 -8.228 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.809 5.419 -7.238 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.229 5.381 -8.700 1.00 0.00 C ATOM 0 H LEU A 30 -3.305 7.787 -11.120 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.617 7.106 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.210 5.823 -9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.150 7.205 -10.132 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.574 7.095 -7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.188 5.092 -6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.615 6.050 -6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.232 4.548 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.810 5.054 -7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.132 4.510 -9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.859 5.984 -9.354 1.00 0.00 H new ATOM 493 N LYS A 31 -2.984 9.198 -7.215 1.00 0.00 N ATOM 494 CA LYS A 31 -2.543 10.324 -6.402 1.00 0.00 C ATOM 495 C LYS A 31 -2.415 9.894 -4.941 1.00 0.00 C ATOM 496 O LYS A 31 -3.378 9.968 -4.170 1.00 0.00 O ATOM 497 CB LYS A 31 -3.519 11.506 -6.538 1.00 0.00 C ATOM 498 CG LYS A 31 -4.992 11.112 -6.413 1.00 0.00 C ATOM 499 CD LYS A 31 -5.914 12.330 -6.386 1.00 0.00 C ATOM 500 CE LYS A 31 -5.762 13.132 -5.097 1.00 0.00 C ATOM 501 NZ LYS A 31 -6.100 12.321 -3.895 1.00 0.00 N ATOM 0 H LYS A 31 -3.763 8.677 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.566 10.652 -6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.285 12.247 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.362 11.985 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.267 10.469 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.135 10.530 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.694 12.971 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.949 12.004 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.737 13.495 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.408 14.009 -5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.249 12.952 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.968 11.778 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.319 11.667 -3.687 1.00 0.00 H new ATOM 515 N ILE A 32 -1.233 9.405 -4.579 1.00 0.00 N ATOM 516 CA ILE A 32 -0.969 8.968 -3.213 1.00 0.00 C ATOM 517 C ILE A 32 -0.652 10.169 -2.320 1.00 0.00 C ATOM 518 O ILE A 32 0.023 11.111 -2.745 1.00 0.00 O ATOM 519 CB ILE A 32 0.185 7.930 -3.143 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.477 8.496 -3.758 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.224 6.633 -3.844 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.645 7.530 -3.721 1.00 0.00 C ATOM 0 H ILE A 32 -0.442 9.301 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.873 8.478 -2.851 1.00 0.00 H new ATOM 0 HB ILE A 32 0.383 7.711 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.283 8.778 -4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.753 9.406 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.594 5.915 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.106 6.218 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.452 6.841 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.520 7.999 -4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.867 7.267 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.389 6.628 -4.278 1.00 0.00 H new ATOM 534 N PRO A 33 -1.162 10.163 -1.076 1.00 0.00 N ATOM 535 CA PRO A 33 -1.012 11.282 -0.152 1.00 0.00 C ATOM 536 C PRO A 33 0.265 11.206 0.683 1.00 0.00 C ATOM 537 O PRO A 33 1.014 10.218 0.637 1.00 0.00 O ATOM 538 CB PRO A 33 -2.246 11.126 0.739 1.00 0.00 C ATOM 539 CG PRO A 33 -2.445 9.647 0.832 1.00 0.00 C ATOM 540 CD PRO A 33 -1.938 9.062 -0.468 1.00 0.00 C ATOM 0 HA PRO A 33 -0.936 12.239 -0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.086 11.569 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.116 11.619 0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.900 9.235 1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.497 9.406 0.981 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.316 8.184 -0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.760 8.749 -1.112 1.00 0.00 H new ATOM 548 N ASN A 34 0.503 12.265 1.446 1.00 0.00 N ATOM 549 CA ASN A 34 1.588 12.301 2.411 1.00 0.00 C ATOM 550 C ASN A 34 1.043 12.679 3.767 1.00 0.00 C ATOM 551 O ASN A 34 0.078 13.440 3.879 1.00 0.00 O ATOM 552 CB ASN A 34 2.694 13.283 1.996 1.00 0.00 C ATOM 553 CG ASN A 34 2.234 14.731 1.957 1.00 0.00 C ATOM 554 OD1 ASN A 34 2.321 15.449 2.956 1.00 0.00 O ATOM 555 ND2 ASN A 34 1.753 15.172 0.806 1.00 0.00 N ATOM 0 H ASN A 34 -0.051 13.121 1.412 1.00 0.00 H new ATOM 0 HA ASN A 34 2.034 11.307 2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.528 13.194 2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.068 13.002 1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.437 16.138 0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.698 14.546 0.003 1.00 0.00 H new ATOM 562 N VAL A 35 1.660 12.131 4.787 1.00 0.00 N ATOM 563 CA VAL A 35 1.259 12.385 6.156 1.00 0.00 C ATOM 564 C VAL A 35 2.500 12.622 7.008 1.00 0.00 C ATOM 565 O VAL A 35 3.490 11.896 6.886 1.00 0.00 O ATOM 566 CB VAL A 35 0.406 11.218 6.726 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.171 9.901 6.684 1.00 0.00 C ATOM 568 CG2 VAL A 35 -0.076 11.532 8.143 1.00 0.00 C ATOM 0 H VAL A 35 2.454 11.497 4.695 1.00 0.00 H new ATOM 0 HA VAL A 35 0.632 13.276 6.178 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.473 11.108 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.547 9.105 7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.434 9.666 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.080 9.989 7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.671 10.699 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.784 11.686 8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.686 12.435 8.128 1.00 0.00 H new ATOM 578 N GLU A 36 2.462 13.672 7.829 1.00 0.00 N ATOM 579 CA GLU A 36 3.603 14.063 8.657 1.00 0.00 C ATOM 580 C GLU A 36 4.773 14.498 7.772 1.00 0.00 C ATOM 581 O GLU A 36 5.932 14.500 8.201 1.00 0.00 O ATOM 582 CB GLU A 36 4.025 12.926 9.595 1.00 0.00 C ATOM 583 CG GLU A 36 2.889 12.365 10.450 1.00 0.00 C ATOM 584 CD GLU A 36 2.045 13.445 11.113 1.00 0.00 C ATOM 585 OE1 GLU A 36 2.574 14.183 11.971 1.00 0.00 O ATOM 586 OE2 GLU A 36 0.844 13.556 10.786 1.00 0.00 O ATOM 0 H GLU A 36 1.645 14.272 7.939 1.00 0.00 H new ATOM 0 HA GLU A 36 3.300 14.907 9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.450 12.118 9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.816 13.287 10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.247 11.743 9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.309 11.718 11.220 1.00 0.00 H new ATOM 593 N ARG A 37 4.431 14.866 6.535 1.00 0.00 N ATOM 594 CA ARG A 37 5.393 15.253 5.490 1.00 0.00 C ATOM 595 C ARG A 37 6.121 14.030 4.930 1.00 0.00 C ATOM 596 O ARG A 37 7.037 14.155 4.114 1.00 0.00 O ATOM 597 CB ARG A 37 6.401 16.311 5.986 1.00 0.00 C ATOM 598 CG ARG A 37 5.825 17.725 6.091 1.00 0.00 C ATOM 599 CD ARG A 37 4.781 17.850 7.196 1.00 0.00 C ATOM 600 NE ARG A 37 4.185 19.187 7.239 1.00 0.00 N ATOM 601 CZ ARG A 37 4.789 20.266 7.744 1.00 0.00 C ATOM 602 NH1 ARG A 37 6.016 20.177 8.245 1.00 0.00 N ATOM 603 NH2 ARG A 37 4.162 21.433 7.748 1.00 0.00 N ATOM 0 H ARG A 37 3.461 14.905 6.222 1.00 0.00 H new ATOM 0 HA ARG A 37 4.817 15.709 4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.775 16.010 6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.255 16.328 5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.634 18.430 6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.375 18.002 5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.997 17.109 7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.243 17.628 8.158 1.00 0.00 H new ATOM 0 HE ARG A 37 3.246 19.302 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.503 19.281 8.246 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.471 21.005 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.219 21.507 7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.622 22.258 8.133 1.00 0.00 H new ATOM 617 N ARG A 38 5.686 12.853 5.359 1.00 0.00 N ATOM 618 CA ARG A 38 6.223 11.592 4.868 1.00 0.00 C ATOM 619 C ARG A 38 5.229 10.972 3.888 1.00 0.00 C ATOM 620 O ARG A 38 4.139 10.551 4.283 1.00 0.00 O ATOM 621 CB ARG A 38 6.480 10.644 6.051 1.00 0.00 C ATOM 622 CG ARG A 38 7.072 9.285 5.673 1.00 0.00 C ATOM 623 CD ARG A 38 8.492 9.394 5.117 1.00 0.00 C ATOM 624 NE ARG A 38 9.390 10.179 5.979 1.00 0.00 N ATOM 625 CZ ARG A 38 9.619 9.946 7.283 1.00 0.00 C ATOM 626 NH1 ARG A 38 9.023 8.942 7.917 1.00 0.00 N ATOM 627 NH2 ARG A 38 10.472 10.714 7.944 1.00 0.00 N ATOM 0 H ARG A 38 4.951 12.746 6.058 1.00 0.00 H new ATOM 0 HA ARG A 38 7.168 11.765 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.155 11.136 6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.539 10.480 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.079 8.639 6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.431 8.808 4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.904 8.393 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.455 9.852 4.128 1.00 0.00 H new ATOM 0 HE ARG A 38 9.879 10.965 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.379 8.332 7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.210 8.781 8.907 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.950 11.476 7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.651 10.543 8.934 1.00 0.00 H new ATOM 641 N ILE A 39 5.589 10.952 2.609 1.00 0.00 N ATOM 642 CA ILE A 39 4.711 10.417 1.568 1.00 0.00 C ATOM 643 C ILE A 39 4.502 8.914 1.754 1.00 0.00 C ATOM 644 O ILE A 39 5.377 8.217 2.283 1.00 0.00 O ATOM 645 CB ILE A 39 5.271 10.707 0.147 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.274 10.246 -0.935 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.632 10.040 -0.047 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.715 10.548 -2.352 1.00 0.00 C ATOM 0 H ILE A 39 6.484 11.300 2.265 1.00 0.00 H new ATOM 0 HA ILE A 39 3.749 10.920 1.662 1.00 0.00 H new ATOM 0 HB ILE A 39 5.407 11.784 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.118 9.172 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.312 10.726 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.004 10.257 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.334 10.425 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.530 8.962 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.959 10.192 -3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.843 11.624 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.661 10.046 -2.553 1.00 0.00 H new ATOM 660 N LEU A 40 3.340 8.426 1.334 1.00 0.00 N ATOM 661 CA LEU A 40 3.013 7.010 1.452 1.00 0.00 C ATOM 662 C LEU A 40 3.906 6.181 0.525 1.00 0.00 C ATOM 663 O LEU A 40 3.686 6.128 -0.687 1.00 0.00 O ATOM 664 CB LEU A 40 1.527 6.785 1.126 1.00 0.00 C ATOM 665 CG LEU A 40 1.030 5.335 1.261 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.305 4.797 2.665 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.461 5.245 0.928 1.00 0.00 C ATOM 0 H LEU A 40 2.607 8.992 0.907 1.00 0.00 H new ATOM 0 HA LEU A 40 3.194 6.687 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.929 7.418 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.342 7.120 0.105 1.00 0.00 H new ATOM 0 HG LEU A 40 1.577 4.718 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.946 3.771 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.377 4.821 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.789 5.415 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.795 4.212 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.026 5.877 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.626 5.581 -0.096 1.00 0.00 H new ATOM 679 N ASP A 41 4.933 5.560 1.104 1.00 0.00 N ATOM 680 CA ASP A 41 5.883 4.756 0.339 1.00 0.00 C ATOM 681 C ASP A 41 5.269 3.412 -0.046 1.00 0.00 C ATOM 682 O ASP A 41 5.197 2.485 0.767 1.00 0.00 O ATOM 683 CB ASP A 41 7.185 4.542 1.126 1.00 0.00 C ATOM 684 CG ASP A 41 8.192 3.682 0.370 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.625 4.088 -0.728 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.549 2.596 0.866 1.00 0.00 O ATOM 0 H ASP A 41 5.128 5.599 2.104 1.00 0.00 H new ATOM 0 HA ASP A 41 6.122 5.302 -0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.634 5.510 1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.955 4.070 2.081 1.00 0.00 H new ATOM 691 N LEU A 42 4.812 3.332 -1.290 1.00 0.00 N ATOM 692 CA LEU A 42 4.178 2.129 -1.819 1.00 0.00 C ATOM 693 C LEU A 42 5.134 0.937 -1.816 1.00 0.00 C ATOM 694 O LEU A 42 4.699 -0.211 -1.720 1.00 0.00 O ATOM 695 CB LEU A 42 3.669 2.386 -3.241 1.00 0.00 C ATOM 696 CG LEU A 42 2.506 3.386 -3.354 1.00 0.00 C ATOM 697 CD1 LEU A 42 2.104 3.581 -4.814 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.310 2.922 -2.523 1.00 0.00 C ATOM 0 H LEU A 42 4.870 4.098 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 42 3.338 1.884 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.499 2.750 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.353 1.436 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 42 2.842 4.345 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.280 4.292 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.955 3.964 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.790 2.626 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.499 3.644 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.973 1.949 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.604 2.841 -1.476 1.00 0.00 H new ATOM 710 N TYR A 43 6.430 1.214 -1.928 1.00 0.00 N ATOM 711 CA TYR A 43 7.449 0.161 -1.921 1.00 0.00 C ATOM 712 C TYR A 43 7.328 -0.699 -0.662 1.00 0.00 C ATOM 713 O TYR A 43 7.007 -1.891 -0.736 1.00 0.00 O ATOM 714 CB TYR A 43 8.867 0.762 -2.015 1.00 0.00 C ATOM 715 CG TYR A 43 9.563 0.524 -3.345 1.00 0.00 C ATOM 716 CD1 TYR A 43 9.945 -0.757 -3.732 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.840 1.578 -4.208 1.00 0.00 C ATOM 718 CE1 TYR A 43 10.583 -0.979 -4.938 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.479 1.362 -5.414 1.00 0.00 C ATOM 720 CZ TYR A 43 10.847 0.084 -5.776 1.00 0.00 C ATOM 721 OH TYR A 43 11.480 -0.134 -6.981 1.00 0.00 O ATOM 0 H TYR A 43 6.803 2.158 -2.025 1.00 0.00 H new ATOM 0 HA TYR A 43 7.282 -0.469 -2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.806 1.836 -1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.480 0.342 -1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.739 -1.592 -3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.551 2.581 -3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.873 -1.980 -5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.690 2.193 -6.071 1.00 0.00 H new ATOM 0 HH TYR A 43 11.789 0.721 -7.347 1.00 0.00 H new ATOM 731 N SER A 44 7.573 -0.083 0.492 1.00 0.00 N ATOM 732 CA SER A 44 7.519 -0.787 1.766 1.00 0.00 C ATOM 733 C SER A 44 6.127 -1.363 2.003 1.00 0.00 C ATOM 734 O SER A 44 5.988 -2.509 2.420 1.00 0.00 O ATOM 735 CB SER A 44 7.912 0.148 2.915 1.00 0.00 C ATOM 736 OG SER A 44 9.222 0.665 2.735 1.00 0.00 O ATOM 0 H SER A 44 7.811 0.906 0.569 1.00 0.00 H new ATOM 0 HA SER A 44 8.232 -1.611 1.731 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.200 0.971 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.859 -0.392 3.860 1.00 0.00 H new ATOM 0 HG SER A 44 9.202 1.381 2.067 1.00 0.00 H new ATOM 742 N LEU A 45 5.104 -0.569 1.710 1.00 0.00 N ATOM 743 CA LEU A 45 3.723 -0.993 1.903 1.00 0.00 C ATOM 744 C LEU A 45 3.456 -2.297 1.155 1.00 0.00 C ATOM 745 O LEU A 45 2.966 -3.267 1.733 1.00 0.00 O ATOM 746 CB LEU A 45 2.756 0.103 1.425 1.00 0.00 C ATOM 747 CG LEU A 45 1.258 -0.226 1.567 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.887 -0.466 3.031 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.401 0.889 0.965 1.00 0.00 C ATOM 0 H LEU A 45 5.206 0.375 1.337 1.00 0.00 H new ATOM 0 HA LEU A 45 3.559 -1.164 2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.964 1.016 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.966 0.316 0.377 1.00 0.00 H new ATOM 0 HG LEU A 45 1.059 -1.145 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.176 -0.696 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.467 -1.302 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.105 0.429 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.654 0.637 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.607 1.826 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.639 1.000 -0.093 1.00 0.00 H new ATOM 761 N SER A 46 3.820 -2.324 -0.123 1.00 0.00 N ATOM 762 CA SER A 46 3.567 -3.481 -0.967 1.00 0.00 C ATOM 763 C SER A 46 4.349 -4.695 -0.467 1.00 0.00 C ATOM 764 O SER A 46 3.776 -5.774 -0.284 1.00 0.00 O ATOM 765 CB SER A 46 3.930 -3.173 -2.429 1.00 0.00 C ATOM 766 OG SER A 46 3.585 -4.253 -3.290 1.00 0.00 O ATOM 0 H SER A 46 4.293 -1.554 -0.596 1.00 0.00 H new ATOM 0 HA SER A 46 2.503 -3.714 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.412 -2.270 -2.751 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.999 -2.972 -2.505 1.00 0.00 H new ATOM 0 HG SER A 46 4.391 -4.584 -3.739 1.00 0.00 H new ATOM 772 N LYS A 47 5.649 -4.518 -0.217 1.00 0.00 N ATOM 773 CA LYS A 47 6.500 -5.642 0.164 1.00 0.00 C ATOM 774 C LYS A 47 6.079 -6.194 1.523 1.00 0.00 C ATOM 775 O LYS A 47 6.152 -7.403 1.755 1.00 0.00 O ATOM 776 CB LYS A 47 7.988 -5.254 0.176 1.00 0.00 C ATOM 777 CG LYS A 47 8.361 -4.210 1.224 1.00 0.00 C ATOM 778 CD LYS A 47 9.872 -3.985 1.295 1.00 0.00 C ATOM 779 CE LYS A 47 10.612 -5.233 1.768 1.00 0.00 C ATOM 780 NZ LYS A 47 12.080 -5.016 1.858 1.00 0.00 N ATOM 0 H LYS A 47 6.128 -3.619 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 47 6.371 -6.421 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.583 -6.151 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.260 -4.875 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.865 -3.268 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.996 -4.529 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.242 -3.694 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.084 -3.158 1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.230 -5.531 2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.410 -6.055 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.541 -5.890 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.451 -4.757 0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.277 -4.249 2.533 1.00 0.00 H new ATOM 794 N ILE A 48 5.617 -5.312 2.409 1.00 0.00 N ATOM 795 CA ILE A 48 5.166 -5.735 3.733 1.00 0.00 C ATOM 796 C ILE A 48 3.873 -6.537 3.629 1.00 0.00 C ATOM 797 O ILE A 48 3.780 -7.635 4.172 1.00 0.00 O ATOM 798 CB ILE A 48 4.958 -4.537 4.694 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.303 -3.862 5.013 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.267 -4.990 5.983 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.182 -2.649 5.915 1.00 0.00 C ATOM 0 H ILE A 48 5.546 -4.309 2.236 1.00 0.00 H new ATOM 0 HA ILE A 48 5.954 -6.363 4.148 1.00 0.00 H new ATOM 0 HB ILE A 48 4.315 -3.810 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.961 -4.591 5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.779 -3.562 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.131 -4.133 6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.295 -5.421 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.882 -5.738 6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.172 -2.229 6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.551 -1.901 5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.736 -2.945 6.865 1.00 0.00 H new ATOM 813 N VAL A 49 2.883 -5.995 2.918 1.00 0.00 N ATOM 814 CA VAL A 49 1.596 -6.673 2.756 1.00 0.00 C ATOM 815 C VAL A 49 1.795 -8.064 2.141 1.00 0.00 C ATOM 816 O VAL A 49 1.181 -9.039 2.578 1.00 0.00 O ATOM 817 CB VAL A 49 0.613 -5.849 1.879 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.681 -6.626 1.621 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.306 -4.502 2.534 1.00 0.00 C ATOM 0 H VAL A 49 2.947 -5.093 2.447 1.00 0.00 H new ATOM 0 HA VAL A 49 1.159 -6.774 3.749 1.00 0.00 H new ATOM 0 HB VAL A 49 1.095 -5.666 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.350 -6.025 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.449 -7.557 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.166 -6.850 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.384 -3.940 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.147 -4.668 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.230 -3.937 2.654 1.00 0.00 H new ATOM 829 N VAL A 50 2.674 -8.150 1.139 1.00 0.00 N ATOM 830 CA VAL A 50 2.999 -9.430 0.502 1.00 0.00 C ATOM 831 C VAL A 50 3.733 -10.351 1.480 1.00 0.00 C ATOM 832 O VAL A 50 3.490 -11.560 1.513 1.00 0.00 O ATOM 833 CB VAL A 50 3.865 -9.235 -0.770 1.00 0.00 C ATOM 834 CG1 VAL A 50 4.250 -10.581 -1.388 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.130 -8.367 -1.788 1.00 0.00 C ATOM 0 H VAL A 50 3.173 -7.349 0.751 1.00 0.00 H new ATOM 0 HA VAL A 50 2.055 -9.889 0.209 1.00 0.00 H new ATOM 0 HB VAL A 50 4.784 -8.726 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.857 -10.413 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.821 -11.164 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.347 -11.127 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.752 -8.240 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.193 -8.849 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.920 -7.391 -1.350 1.00 0.00 H new ATOM 845 N GLU A 51 4.625 -9.767 2.278 1.00 0.00 N ATOM 846 CA GLU A 51 5.357 -10.513 3.302 1.00 0.00 C ATOM 847 C GLU A 51 4.370 -11.103 4.311 1.00 0.00 C ATOM 848 O GLU A 51 4.532 -12.231 4.787 1.00 0.00 O ATOM 849 CB GLU A 51 6.361 -9.584 4.004 1.00 0.00 C ATOM 850 CG GLU A 51 7.214 -10.263 5.070 1.00 0.00 C ATOM 851 CD GLU A 51 8.219 -9.311 5.703 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.351 -9.202 5.187 1.00 0.00 O ATOM 853 OE2 GLU A 51 7.884 -8.668 6.720 1.00 0.00 O ATOM 0 H GLU A 51 4.860 -8.775 2.235 1.00 0.00 H new ATOM 0 HA GLU A 51 5.909 -11.329 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.020 -9.148 3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.814 -8.761 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.565 -10.670 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.745 -11.104 4.625 1.00 0.00 H new ATOM 860 N GLU A 52 3.340 -10.323 4.610 1.00 0.00 N ATOM 861 CA GLU A 52 2.267 -10.738 5.503 1.00 0.00 C ATOM 862 C GLU A 52 1.347 -11.739 4.805 1.00 0.00 C ATOM 863 O GLU A 52 0.787 -12.636 5.440 1.00 0.00 O ATOM 864 CB GLU A 52 1.472 -9.502 5.931 1.00 0.00 C ATOM 865 CG GLU A 52 2.278 -8.510 6.764 1.00 0.00 C ATOM 866 CD GLU A 52 2.530 -8.998 8.179 1.00 0.00 C ATOM 867 OE1 GLU A 52 3.503 -9.753 8.395 1.00 0.00 O ATOM 868 OE2 GLU A 52 1.768 -8.619 9.082 1.00 0.00 O ATOM 0 H GLU A 52 3.225 -9.380 4.238 1.00 0.00 H new ATOM 0 HA GLU A 52 2.694 -11.224 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.098 -8.996 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.602 -9.822 6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.233 -8.323 6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.747 -7.559 6.802 1.00 0.00 H new ATOM 875 N GLY A 53 1.206 -11.569 3.494 1.00 0.00 N ATOM 876 CA GLY A 53 0.375 -12.453 2.696 1.00 0.00 C ATOM 877 C GLY A 53 -1.086 -12.410 3.101 1.00 0.00 C ATOM 878 O GLY A 53 -1.788 -13.421 3.014 1.00 0.00 O ATOM 0 H GLY A 53 1.659 -10.824 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.464 -12.178 1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.744 -13.474 2.790 1.00 0.00 H new ATOM 882 N GLY A 54 -1.553 -11.246 3.549 1.00 0.00 N ATOM 883 CA GLY A 54 -2.939 -11.112 3.947 1.00 0.00 C ATOM 884 C GLY A 54 -3.269 -9.749 4.517 1.00 0.00 C ATOM 885 O GLY A 54 -2.980 -9.476 5.682 1.00 0.00 O ATOM 0 H GLY A 54 -0.995 -10.397 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.578 -11.302 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.172 -11.875 4.690 1.00 0.00 H new ATOM 889 N TYR A 55 -3.868 -8.889 3.691 1.00 0.00 N ATOM 890 CA TYR A 55 -4.380 -7.596 4.145 1.00 0.00 C ATOM 891 C TYR A 55 -5.240 -7.774 5.400 1.00 0.00 C ATOM 892 O TYR A 55 -5.065 -7.066 6.399 1.00 0.00 O ATOM 893 CB TYR A 55 -5.191 -6.940 3.014 1.00 0.00 C ATOM 894 CG TYR A 55 -5.984 -5.708 3.413 1.00 0.00 C ATOM 895 CD1 TYR A 55 -5.374 -4.618 4.024 1.00 0.00 C ATOM 896 CD2 TYR A 55 -7.349 -5.637 3.168 1.00 0.00 C ATOM 897 CE1 TYR A 55 -6.104 -3.497 4.379 1.00 0.00 C ATOM 898 CE2 TYR A 55 -8.081 -4.521 3.516 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.457 -3.455 4.121 1.00 0.00 C ATOM 900 OH TYR A 55 -8.190 -2.345 4.472 1.00 0.00 O ATOM 0 H TYR A 55 -4.011 -9.067 2.697 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.543 -6.946 4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.507 -6.667 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.881 -7.680 2.608 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.313 -4.647 4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.847 -6.471 2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.616 -2.660 4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.141 -4.484 3.314 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.037 -2.627 4.877 1.00 0.00 H new ATOM 910 N GLU A 56 -6.162 -8.737 5.339 1.00 0.00 N ATOM 911 CA GLU A 56 -7.001 -9.083 6.486 1.00 0.00 C ATOM 912 C GLU A 56 -6.141 -9.389 7.709 1.00 0.00 C ATOM 913 O GLU A 56 -6.414 -8.904 8.805 1.00 0.00 O ATOM 914 CB GLU A 56 -7.873 -10.306 6.180 1.00 0.00 C ATOM 915 CG GLU A 56 -8.769 -10.726 7.348 1.00 0.00 C ATOM 916 CD GLU A 56 -9.193 -12.187 7.280 1.00 0.00 C ATOM 917 OE1 GLU A 56 -10.207 -12.494 6.627 1.00 0.00 O ATOM 918 OE2 GLU A 56 -8.504 -13.039 7.886 1.00 0.00 O ATOM 0 H GLU A 56 -6.346 -9.292 4.504 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.641 -8.225 6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.497 -10.089 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.229 -11.142 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.240 -10.550 8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.658 -10.096 7.361 1.00 0.00 H new ATOM 925 N ALA A 57 -5.095 -10.190 7.505 1.00 0.00 N ATOM 926 CA ALA A 57 -4.255 -10.651 8.604 1.00 0.00 C ATOM 927 C ALA A 57 -3.623 -9.473 9.332 1.00 0.00 C ATOM 928 O ALA A 57 -3.687 -9.383 10.556 1.00 0.00 O ATOM 929 CB ALA A 57 -3.182 -11.610 8.093 1.00 0.00 C ATOM 0 H ALA A 57 -4.811 -10.532 6.587 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.885 -11.188 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.565 -11.943 8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.657 -12.472 7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.557 -11.099 7.361 1.00 0.00 H new ATOM 935 N ILE A 58 -3.041 -8.554 8.567 1.00 0.00 N ATOM 936 CA ILE A 58 -2.400 -7.374 9.143 1.00 0.00 C ATOM 937 C ILE A 58 -3.435 -6.521 9.868 1.00 0.00 C ATOM 938 O ILE A 58 -3.174 -5.982 10.940 1.00 0.00 O ATOM 939 CB ILE A 58 -1.720 -6.488 8.069 1.00 0.00 C ATOM 940 CG1 ILE A 58 -1.071 -7.346 6.976 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.679 -5.573 8.717 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.534 -6.541 5.810 1.00 0.00 C ATOM 0 H ILE A 58 -2.999 -8.602 7.549 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.637 -7.738 9.831 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.488 -5.872 7.602 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.256 -7.922 7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.804 -8.062 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.209 -4.956 7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.166 -4.931 9.451 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.081 -6.179 9.211 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.090 -7.214 5.077 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.349 -5.985 5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.223 -5.843 6.168 1.00 0.00 H new ATOM 954 N CYS A 59 -4.614 -6.415 9.260 1.00 0.00 N ATOM 955 CA CYS A 59 -5.693 -5.589 9.789 1.00 0.00 C ATOM 956 C CYS A 59 -6.257 -6.174 11.085 1.00 0.00 C ATOM 957 O CYS A 59 -6.536 -5.447 12.041 1.00 0.00 O ATOM 958 CB CYS A 59 -6.803 -5.462 8.738 1.00 0.00 C ATOM 959 SG CYS A 59 -8.140 -4.339 9.199 1.00 0.00 S ATOM 0 H CYS A 59 -4.846 -6.897 8.392 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.291 -4.602 10.018 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.363 -5.119 7.802 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.223 -6.450 8.549 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.207 -4.631 8.516 1.00 0.00 H new ATOM 965 N LYS A 60 -6.393 -7.494 11.119 1.00 0.00 N ATOM 966 CA LYS A 60 -7.001 -8.183 12.253 1.00 0.00 C ATOM 967 C LYS A 60 -5.979 -8.369 13.374 1.00 0.00 C ATOM 968 O LYS A 60 -6.339 -8.439 14.552 1.00 0.00 O ATOM 969 CB LYS A 60 -7.576 -9.526 11.782 1.00 0.00 C ATOM 970 CG LYS A 60 -8.264 -10.346 12.871 1.00 0.00 C ATOM 971 CD LYS A 60 -9.116 -11.467 12.273 1.00 0.00 C ATOM 972 CE LYS A 60 -8.332 -12.310 11.270 1.00 0.00 C ATOM 973 NZ LYS A 60 -9.189 -13.322 10.600 1.00 0.00 N ATOM 0 H LYS A 60 -6.088 -8.114 10.368 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.816 -7.581 12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.292 -9.338 10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.769 -10.121 11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.513 -10.773 13.536 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.892 -9.694 13.477 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.486 -12.107 13.074 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.988 -11.036 11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.887 -11.658 10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.512 -12.812 11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.991 -13.323 9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.986 -14.263 10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.190 -13.089 10.758 1.00 0.00 H new ATOM 987 N ASP A 61 -4.705 -8.442 13.002 1.00 0.00 N ATOM 988 CA ASP A 61 -3.616 -8.483 13.979 1.00 0.00 C ATOM 989 C ASP A 61 -3.220 -7.060 14.364 1.00 0.00 C ATOM 990 O ASP A 61 -2.570 -6.836 15.387 1.00 0.00 O ATOM 991 CB ASP A 61 -2.402 -9.234 13.405 1.00 0.00 C ATOM 992 CG ASP A 61 -1.321 -9.498 14.448 1.00 0.00 C ATOM 993 OD1 ASP A 61 -1.426 -10.511 15.173 1.00 0.00 O ATOM 994 OD2 ASP A 61 -0.360 -8.709 14.546 1.00 0.00 O ATOM 0 H ASP A 61 -4.398 -8.474 12.030 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.959 -9.015 14.867 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.734 -10.183 12.984 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.976 -8.654 12.586 1.00 0.00 H new ATOM 999 N ARG A 62 -3.639 -6.100 13.529 1.00 0.00 N ATOM 1000 CA ARG A 62 -3.331 -4.683 13.728 1.00 0.00 C ATOM 1001 C ARG A 62 -1.824 -4.454 13.640 1.00 0.00 C ATOM 1002 O ARG A 62 -1.280 -3.523 14.238 1.00 0.00 O ATOM 1003 CB ARG A 62 -3.891 -4.198 15.077 1.00 0.00 C ATOM 1004 CG ARG A 62 -5.409 -4.322 15.176 1.00 0.00 C ATOM 1005 CD ARG A 62 -5.913 -4.051 16.587 1.00 0.00 C ATOM 1006 NE ARG A 62 -5.320 -4.966 17.566 1.00 0.00 N ATOM 1007 CZ ARG A 62 -5.780 -6.192 17.828 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -6.815 -6.685 17.156 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -5.192 -6.926 18.763 1.00 0.00 N ATOM 0 H ARG A 62 -4.200 -6.287 12.698 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.808 -4.102 12.939 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.433 -4.773 15.881 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.607 -3.156 15.228 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.876 -3.621 14.484 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.712 -5.323 14.869 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.680 -3.023 16.864 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.998 -4.149 16.610 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.501 -4.645 18.082 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.266 -6.126 16.432 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.158 -7.623 17.364 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.394 -6.553 19.277 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.538 -7.863 18.968 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.163 -5.280 12.830 1.00 0.00 N ATOM 1024 CA ARG A 63 0.293 -5.266 12.727 1.00 0.00 C ATOM 1025 C ARG A 63 0.760 -4.131 11.815 1.00 0.00 C ATOM 1026 O ARG A 63 1.954 -3.996 11.528 1.00 0.00 O ATOM 1027 CB ARG A 63 0.795 -6.626 12.222 1.00 0.00 C ATOM 1028 CG ARG A 63 2.284 -6.862 12.460 1.00 0.00 C ATOM 1029 CD ARG A 63 2.705 -8.266 12.045 1.00 0.00 C ATOM 1030 NE ARG A 63 1.960 -9.301 12.768 1.00 0.00 N ATOM 1031 CZ ARG A 63 1.519 -10.433 12.215 1.00 0.00 C ATOM 1032 NH1 ARG A 63 1.645 -10.640 10.909 1.00 0.00 N ATOM 1033 NH2 ARG A 63 0.915 -11.344 12.965 1.00 0.00 N ATOM 0 H ARG A 63 -1.617 -5.971 12.233 1.00 0.00 H new ATOM 0 HA ARG A 63 0.715 -5.089 13.716 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.229 -7.417 12.714 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.591 -6.704 11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.863 -6.128 11.900 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.513 -6.710 13.515 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.549 -8.389 10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.772 -8.393 12.228 1.00 0.00 H new ATOM 0 HE ARG A 63 1.766 -9.146 13.757 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.082 -9.931 10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.305 -11.508 10.495 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.788 -11.180 13.964 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.578 -12.209 12.544 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.188 -3.295 11.379 1.00 0.00 N ATOM 1048 CA TRP A 64 0.142 -2.086 10.624 1.00 0.00 C ATOM 1049 C TRP A 64 1.074 -1.201 11.445 1.00 0.00 C ATOM 1050 O TRP A 64 1.731 -0.311 10.907 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.116 -1.291 10.252 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.069 -2.019 9.347 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.322 -2.456 9.667 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -1.853 -2.391 7.974 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -3.901 -3.063 8.582 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.021 -3.037 7.534 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.791 -2.239 7.071 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.161 -3.529 6.243 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.933 -2.731 5.786 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -2.111 -3.366 5.383 1.00 0.00 C ATOM 0 H TRP A 64 -1.186 -3.434 11.536 1.00 0.00 H new ATOM 0 HA TRP A 64 0.635 -2.395 9.702 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.641 -1.018 11.167 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.814 -0.362 9.768 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.789 -2.341 10.634 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.837 -3.468 8.560 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.121 -1.747 7.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.068 -4.024 5.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.120 -2.623 5.083 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.193 -3.735 4.372 1.00 0.00 H new ATOM 1071 N ALA A 65 1.114 -1.451 12.753 1.00 0.00 N ATOM 1072 CA ALA A 65 2.013 -0.743 13.654 1.00 0.00 C ATOM 1073 C ALA A 65 3.451 -0.816 13.149 1.00 0.00 C ATOM 1074 O ALA A 65 4.136 0.206 13.057 1.00 0.00 O ATOM 1075 CB ALA A 65 1.911 -1.316 15.061 1.00 0.00 C ATOM 0 H ALA A 65 0.526 -2.147 13.213 1.00 0.00 H new ATOM 0 HA ALA A 65 1.716 0.305 13.683 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.588 -0.777 15.723 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.889 -1.210 15.424 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.183 -2.371 15.045 1.00 0.00 H new ATOM 1081 N ARG A 66 3.902 -2.023 12.789 1.00 0.00 N ATOM 1082 CA ARG A 66 5.273 -2.198 12.311 1.00 0.00 C ATOM 1083 C ARG A 66 5.442 -1.565 10.932 1.00 0.00 C ATOM 1084 O ARG A 66 6.550 -1.203 10.540 1.00 0.00 O ATOM 1085 CB ARG A 66 5.691 -3.680 12.273 1.00 0.00 C ATOM 1086 CG ARG A 66 5.107 -4.497 11.116 1.00 0.00 C ATOM 1087 CD ARG A 66 5.826 -5.838 10.976 1.00 0.00 C ATOM 1088 NE ARG A 66 5.311 -6.658 9.870 1.00 0.00 N ATOM 1089 CZ ARG A 66 6.070 -7.135 8.875 1.00 0.00 C ATOM 1090 NH1 ARG A 66 7.327 -6.736 8.728 1.00 0.00 N ATOM 1091 NH2 ARG A 66 5.564 -7.996 8.005 1.00 0.00 N ATOM 0 H ARG A 66 3.347 -2.878 12.819 1.00 0.00 H new ATOM 0 HA ARG A 66 5.929 -1.693 13.020 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.778 -3.732 12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.395 -4.148 13.212 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.044 -4.666 11.286 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.196 -3.934 10.187 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.890 -5.658 10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.729 -6.394 11.908 1.00 0.00 H new ATOM 0 HE ARG A 66 4.315 -6.877 9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.726 -6.058 9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.894 -7.107 7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.593 -8.298 8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.145 -8.357 7.248 1.00 0.00 H new ATOM 1105 N VAL A 67 4.331 -1.425 10.209 1.00 0.00 N ATOM 1106 CA VAL A 67 4.339 -0.805 8.887 1.00 0.00 C ATOM 1107 C VAL A 67 4.547 0.701 9.020 1.00 0.00 C ATOM 1108 O VAL A 67 5.401 1.283 8.350 1.00 0.00 O ATOM 1109 CB VAL A 67 3.020 -1.078 8.121 1.00 0.00 C ATOM 1110 CG1 VAL A 67 3.070 -0.496 6.708 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.719 -2.576 8.086 1.00 0.00 C ATOM 0 H VAL A 67 3.410 -1.735 10.520 1.00 0.00 H new ATOM 0 HA VAL A 67 5.159 -1.245 8.320 1.00 0.00 H new ATOM 0 HB VAL A 67 2.211 -0.579 8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.131 -0.704 6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.223 0.582 6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.893 -0.951 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.789 -2.748 7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.533 -3.099 7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.620 -2.951 9.105 1.00 0.00 H new ATOM 1121 N ALA A 68 3.776 1.321 9.911 1.00 0.00 N ATOM 1122 CA ALA A 68 3.901 2.748 10.177 1.00 0.00 C ATOM 1123 C ALA A 68 5.295 3.063 10.712 1.00 0.00 C ATOM 1124 O ALA A 68 5.926 4.043 10.305 1.00 0.00 O ATOM 1125 CB ALA A 68 2.823 3.211 11.157 1.00 0.00 C ATOM 0 H ALA A 68 3.056 0.853 10.462 1.00 0.00 H new ATOM 0 HA ALA A 68 3.759 3.291 9.243 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.934 4.279 11.342 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.838 3.017 10.733 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.927 2.667 12.096 1.00 0.00 H new ATOM 1131 N GLN A 69 5.774 2.212 11.615 1.00 0.00 N ATOM 1132 CA GLN A 69 7.122 2.341 12.162 1.00 0.00 C ATOM 1133 C GLN A 69 8.161 2.146 11.054 1.00 0.00 C ATOM 1134 O GLN A 69 9.187 2.826 11.022 1.00 0.00 O ATOM 1135 CB GLN A 69 7.337 1.318 13.288 1.00 0.00 C ATOM 1136 CG GLN A 69 8.655 1.488 14.039 1.00 0.00 C ATOM 1137 CD GLN A 69 8.850 0.457 15.141 1.00 0.00 C ATOM 1138 OE1 GLN A 69 7.885 -0.040 15.731 1.00 0.00 O ATOM 1139 NE2 GLN A 69 10.101 0.139 15.435 1.00 0.00 N ATOM 0 H GLN A 69 5.246 1.422 11.985 1.00 0.00 H new ATOM 0 HA GLN A 69 7.241 3.342 12.577 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.514 1.396 13.998 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.299 0.314 12.865 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.481 1.416 13.332 1.00 0.00 H new ATOM 0 HG3 GLN A 69 8.693 2.487 14.473 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.871 0.572 14.924 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.295 -0.539 16.172 1.00 0.00 H new ATOM 1148 N ARG A 70 7.866 1.230 10.131 1.00 0.00 N ATOM 1149 CA ARG A 70 8.743 0.962 8.990 1.00 0.00 C ATOM 1150 C ARG A 70 8.926 2.245 8.182 1.00 0.00 C ATOM 1151 O ARG A 70 10.046 2.644 7.876 1.00 0.00 O ATOM 1152 CB ARG A 70 8.134 -0.155 8.116 1.00 0.00 C ATOM 1153 CG ARG A 70 9.126 -0.946 7.250 1.00 0.00 C ATOM 1154 CD ARG A 70 9.684 -0.147 6.072 1.00 0.00 C ATOM 1155 NE ARG A 70 10.864 0.639 6.437 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.779 1.069 5.567 1.00 0.00 C ATOM 1157 NH1 ARG A 70 11.616 0.871 4.262 1.00 0.00 N ATOM 1158 NH2 ARG A 70 12.845 1.721 6.008 1.00 0.00 N ATOM 0 H ARG A 70 7.022 0.658 10.152 1.00 0.00 H new ATOM 0 HA ARG A 70 9.719 0.628 9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.612 -0.855 8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.385 0.290 7.461 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.954 -1.281 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.631 -1.840 6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.943 -0.831 5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.911 0.520 5.691 1.00 0.00 H new ATOM 0 HE ARG A 70 10.995 0.873 7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.786 0.387 3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.321 1.203 3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.962 1.891 7.007 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.549 2.053 5.349 1.00 0.00 H new ATOM 1172 N LEU A 71 7.814 2.908 7.874 1.00 0.00 N ATOM 1173 CA LEU A 71 7.847 4.156 7.107 1.00 0.00 C ATOM 1174 C LEU A 71 8.258 5.340 7.992 1.00 0.00 C ATOM 1175 O LEU A 71 8.159 6.498 7.572 1.00 0.00 O ATOM 1176 CB LEU A 71 6.488 4.425 6.433 1.00 0.00 C ATOM 1177 CG LEU A 71 6.192 3.595 5.164 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.099 2.104 5.479 1.00 0.00 C ATOM 1179 CD2 LEU A 71 4.910 4.082 4.487 1.00 0.00 C ATOM 0 H LEU A 71 6.878 2.604 8.142 1.00 0.00 H new ATOM 0 HA LEU A 71 8.598 4.044 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.699 4.236 7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.435 5.482 6.173 1.00 0.00 H new ATOM 0 HG LEU A 71 7.025 3.737 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.890 1.551 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.044 1.762 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.297 1.933 6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.720 3.484 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.073 3.980 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.023 5.129 4.205 1.00 0.00 H new ATOM 1191 N ASN A 72 8.709 5.041 9.216 1.00 0.00 N ATOM 1192 CA ASN A 72 9.297 6.046 10.112 1.00 0.00 C ATOM 1193 C ASN A 72 8.272 7.110 10.516 1.00 0.00 C ATOM 1194 O ASN A 72 8.622 8.278 10.715 1.00 0.00 O ATOM 1195 CB ASN A 72 10.538 6.704 9.465 1.00 0.00 C ATOM 1196 CG ASN A 72 11.758 5.787 9.388 1.00 0.00 C ATOM 1197 OD1 ASN A 72 12.900 6.251 9.457 1.00 0.00 O ATOM 1198 ND2 ASN A 72 11.538 4.489 9.230 1.00 0.00 N ATOM 0 H ASN A 72 8.677 4.102 9.612 1.00 0.00 H new ATOM 0 HA ASN A 72 9.613 5.529 11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.279 7.033 8.458 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.802 7.596 10.034 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.324 3.843 9.162 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.582 4.137 9.177 1.00 0.00 H new ATOM 1205 N TYR A 73 7.007 6.709 10.617 1.00 0.00 N ATOM 1206 CA TYR A 73 5.950 7.611 11.078 1.00 0.00 C ATOM 1207 C TYR A 73 6.058 7.842 12.589 1.00 0.00 C ATOM 1208 O TYR A 73 6.528 6.969 13.325 1.00 0.00 O ATOM 1209 CB TYR A 73 4.559 7.055 10.729 1.00 0.00 C ATOM 1210 CG TYR A 73 4.234 7.087 9.246 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.359 8.263 8.514 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.788 5.950 8.581 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.054 8.300 7.168 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.482 5.981 7.236 1.00 0.00 C ATOM 1215 CZ TYR A 73 3.618 7.158 6.532 1.00 0.00 C ATOM 1216 OH TYR A 73 3.317 7.194 5.188 1.00 0.00 O ATOM 0 H TYR A 73 6.688 5.768 10.387 1.00 0.00 H new ATOM 0 HA TYR A 73 6.079 8.564 10.566 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.491 6.026 11.083 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.805 7.628 11.268 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.700 9.162 9.006 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.679 5.025 9.128 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.157 9.222 6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.138 5.087 6.737 1.00 0.00 H new ATOM 0 HH TYR A 73 3.025 6.306 4.894 1.00 0.00 H new ATOM 1226 N PRO A 74 5.637 9.034 13.065 1.00 0.00 N ATOM 1227 CA PRO A 74 5.657 9.378 14.497 1.00 0.00 C ATOM 1228 C PRO A 74 4.803 8.426 15.347 1.00 0.00 C ATOM 1229 O PRO A 74 3.874 7.789 14.835 1.00 0.00 O ATOM 1230 CB PRO A 74 5.076 10.804 14.533 1.00 0.00 C ATOM 1231 CG PRO A 74 5.280 11.334 13.156 1.00 0.00 C ATOM 1232 CD PRO A 74 5.126 10.148 12.245 1.00 0.00 C ATOM 0 HA PRO A 74 6.660 9.301 14.916 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.019 10.794 14.800 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.586 11.420 15.273 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.549 12.108 12.921 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.267 11.785 13.051 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.087 9.993 11.956 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.698 10.268 11.325 1.00 0.00 H new ATOM 1240 N PRO A 75 5.109 8.323 16.662 1.00 0.00 N ATOM 1241 CA PRO A 75 4.364 7.459 17.591 1.00 0.00 C ATOM 1242 C PRO A 75 2.870 7.792 17.632 1.00 0.00 C ATOM 1243 O PRO A 75 2.458 8.913 17.315 1.00 0.00 O ATOM 1244 CB PRO A 75 5.019 7.739 18.956 1.00 0.00 C ATOM 1245 CG PRO A 75 6.371 8.276 18.628 1.00 0.00 C ATOM 1246 CD PRO A 75 6.206 9.040 17.344 1.00 0.00 C ATOM 0 HA PRO A 75 4.411 6.412 17.292 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.438 8.458 19.534 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.089 6.831 19.555 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.739 8.923 19.424 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.095 7.469 18.513 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.952 10.084 17.527 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.121 9.033 16.751 1.00 0.00 H new ATOM 1254 N GLY A 76 2.071 6.811 18.034 1.00 0.00 N ATOM 1255 CA GLY A 76 0.628 6.969 18.067 1.00 0.00 C ATOM 1256 C GLY A 76 -0.051 5.952 17.175 1.00 0.00 C ATOM 1257 O GLY A 76 -1.108 5.418 17.515 1.00 0.00 O ATOM 0 H GLY A 76 2.402 5.897 18.342 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.270 6.857 19.090 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.362 7.976 17.745 1.00 0.00 H new ATOM 1261 N LYS A 77 0.572 5.695 16.019 1.00 0.00 N ATOM 1262 CA LYS A 77 0.117 4.668 15.076 1.00 0.00 C ATOM 1263 C LYS A 77 -1.232 5.025 14.440 1.00 0.00 C ATOM 1264 O LYS A 77 -1.779 4.249 13.655 1.00 0.00 O ATOM 1265 CB LYS A 77 0.042 3.299 15.777 1.00 0.00 C ATOM 1266 CG LYS A 77 1.389 2.822 16.325 1.00 0.00 C ATOM 1267 CD LYS A 77 1.247 1.579 17.202 1.00 0.00 C ATOM 1268 CE LYS A 77 0.430 1.862 18.460 1.00 0.00 C ATOM 1269 NZ LYS A 77 0.322 0.665 19.337 1.00 0.00 N ATOM 0 H LYS A 77 1.407 6.194 15.711 1.00 0.00 H new ATOM 0 HA LYS A 77 0.847 4.616 14.268 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.675 3.357 16.596 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.338 2.559 15.073 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.061 2.604 15.495 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.848 3.623 16.904 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.769 0.783 16.630 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.236 1.219 17.485 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.892 2.678 19.016 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.569 2.195 18.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.240 0.901 20.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.142 -0.106 18.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.273 0.362 19.630 1.00 0.00 H new ATOM 1283 N ASN A 78 -1.745 6.216 14.752 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.027 6.681 14.213 1.00 0.00 C ATOM 1285 C ASN A 78 -2.970 6.798 12.690 1.00 0.00 C ATOM 1286 O ASN A 78 -4.004 6.794 12.015 1.00 0.00 O ATOM 1287 CB ASN A 78 -3.419 8.033 14.831 1.00 0.00 C ATOM 1288 CG ASN A 78 -3.724 7.936 16.318 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -4.176 6.901 16.808 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -3.480 9.015 17.046 1.00 0.00 N ATOM 0 H ASN A 78 -1.291 6.880 15.378 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.785 5.943 14.475 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.609 8.746 14.677 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -4.293 8.425 14.311 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.667 9.007 18.049 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.105 9.854 16.604 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.754 6.891 12.156 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.546 6.975 10.712 1.00 0.00 C ATOM 1299 C ILE A 79 -2.071 5.706 10.032 1.00 0.00 C ATOM 1300 O ILE A 79 -2.498 5.736 8.878 1.00 0.00 O ATOM 1301 CB ILE A 79 -0.043 7.185 10.342 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.502 8.516 10.915 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.153 7.153 8.824 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.704 8.523 12.419 1.00 0.00 C ATOM 0 H ILE A 79 -0.894 6.910 12.704 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.099 7.845 10.356 1.00 0.00 H new ATOM 0 HB ILE A 79 0.518 6.365 10.790 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.454 8.741 10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.187 9.319 10.651 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.207 7.301 8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.173 6.188 8.435 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.436 7.947 8.364 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.088 9.495 12.730 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.248 8.333 12.915 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.418 7.746 12.694 1.00 0.00 H new ATOM 1316 N GLY A 80 -2.057 4.595 10.776 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.543 3.325 10.259 1.00 0.00 C ATOM 1318 C GLY A 80 -3.971 3.404 9.738 1.00 0.00 C ATOM 1319 O GLY A 80 -4.286 2.837 8.690 1.00 0.00 O ATOM 0 H GLY A 80 -1.714 4.556 11.736 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.887 2.991 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.490 2.574 11.047 1.00 0.00 H new ATOM 1323 N SER A 81 -4.835 4.111 10.465 1.00 0.00 N ATOM 1324 CA SER A 81 -6.227 4.279 10.052 1.00 0.00 C ATOM 1325 C SER A 81 -6.305 5.063 8.739 1.00 0.00 C ATOM 1326 O SER A 81 -7.114 4.754 7.859 1.00 0.00 O ATOM 1327 CB SER A 81 -7.019 4.996 11.152 1.00 0.00 C ATOM 1328 OG SER A 81 -6.890 4.322 12.395 1.00 0.00 O ATOM 0 H SER A 81 -4.596 4.576 11.341 1.00 0.00 H new ATOM 0 HA SER A 81 -6.665 3.294 9.890 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.663 6.021 11.252 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.071 5.050 10.871 1.00 0.00 H new ATOM 0 HG SER A 81 -7.402 4.799 13.081 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.440 6.068 8.615 1.00 0.00 N ATOM 1335 CA LEU A 82 -5.344 6.885 7.406 1.00 0.00 C ATOM 1336 C LEU A 82 -4.869 6.010 6.237 1.00 0.00 C ATOM 1337 O LEU A 82 -5.394 6.088 5.112 1.00 0.00 O ATOM 1338 CB LEU A 82 -4.382 8.066 7.678 1.00 0.00 C ATOM 1339 CG LEU A 82 -4.235 9.139 6.575 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -3.249 8.701 5.492 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -5.597 9.488 5.970 1.00 0.00 C ATOM 0 H LEU A 82 -4.786 6.339 9.349 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.317 7.296 7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.712 8.564 8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.393 7.654 7.880 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.829 10.037 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.172 9.480 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.270 8.531 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.602 7.779 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.468 10.245 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.041 8.594 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.253 9.874 6.750 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.891 5.155 6.534 1.00 0.00 N ATOM 1354 CA LEU A 83 -3.367 4.196 5.570 1.00 0.00 C ATOM 1355 C LEU A 83 -4.493 3.316 5.039 1.00 0.00 C ATOM 1356 O LEU A 83 -4.719 3.251 3.832 1.00 0.00 O ATOM 1357 CB LEU A 83 -2.272 3.334 6.224 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.741 2.164 5.373 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -1.144 2.667 4.062 1.00 0.00 C ATOM 1360 CD2 LEU A 83 -0.712 1.352 6.158 1.00 0.00 C ATOM 0 H LEU A 83 -3.442 5.110 7.449 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.928 4.739 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.433 3.980 6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.663 2.931 7.158 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.582 1.513 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.777 1.821 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.909 3.194 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.319 3.346 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.349 0.531 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.124 1.994 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.176 0.951 7.059 1.00 0.00 H new ATOM 1372 N ARG A 84 -5.212 2.663 5.955 1.00 0.00 N ATOM 1373 CA ARG A 84 -6.328 1.790 5.586 1.00 0.00 C ATOM 1374 C ARG A 84 -7.393 2.574 4.821 1.00 0.00 C ATOM 1375 O ARG A 84 -8.005 2.059 3.885 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.955 1.140 6.830 1.00 0.00 C ATOM 1377 CG ARG A 84 -8.092 0.171 6.501 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.767 -0.375 7.754 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.846 -1.313 7.424 1.00 0.00 N ATOM 1380 CZ ARG A 84 -11.135 -1.114 7.707 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -11.525 -0.008 8.331 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -12.033 -2.028 7.367 1.00 0.00 N ATOM 0 H ARG A 84 -5.041 2.723 6.959 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.935 1.002 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.181 0.606 7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.333 1.922 7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.833 0.680 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.701 -0.658 5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.027 -0.877 8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.170 0.451 8.340 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.593 -2.177 6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.837 0.697 8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.512 0.137 8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.738 -2.880 6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.019 -1.879 7.582 1.00 0.00 H new ATOM 1396 N SER A 85 -7.596 3.827 5.219 1.00 0.00 N ATOM 1397 CA SER A 85 -8.588 4.688 4.586 1.00 0.00 C ATOM 1398 C SER A 85 -8.310 4.819 3.090 1.00 0.00 C ATOM 1399 O SER A 85 -9.212 4.646 2.264 1.00 0.00 O ATOM 1400 CB SER A 85 -8.599 6.072 5.254 1.00 0.00 C ATOM 1401 OG SER A 85 -9.575 6.920 4.673 1.00 0.00 O ATOM 0 H SER A 85 -7.083 4.270 5.981 1.00 0.00 H new ATOM 0 HA SER A 85 -9.570 4.233 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.799 5.961 6.320 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.615 6.530 5.160 1.00 0.00 H new ATOM 0 HG SER A 85 -9.559 7.792 5.120 1.00 0.00 H new ATOM 1407 N HIS A 86 -7.059 5.109 2.737 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.685 5.224 1.325 1.00 0.00 C ATOM 1409 C HIS A 86 -6.504 3.847 0.699 1.00 0.00 C ATOM 1410 O HIS A 86 -6.714 3.672 -0.502 1.00 0.00 O ATOM 1411 CB HIS A 86 -5.409 6.052 1.152 1.00 0.00 C ATOM 1412 CG HIS A 86 -5.543 7.472 1.610 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -6.353 8.401 0.987 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -4.967 8.119 2.646 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -6.265 9.555 1.623 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -5.429 9.410 2.632 1.00 0.00 N ATOM 0 H HIS A 86 -6.297 5.267 3.396 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.498 5.739 0.812 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.600 5.576 1.706 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.122 6.045 0.100 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -6.929 8.224 0.164 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.270 7.697 3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.789 10.463 1.361 1.00 0.00 H new ATOM 1425 N TYR A 87 -6.114 2.876 1.517 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.957 1.497 1.063 1.00 0.00 C ATOM 1427 C TYR A 87 -7.283 1.001 0.497 1.00 0.00 C ATOM 1428 O TYR A 87 -7.321 0.377 -0.559 1.00 0.00 O ATOM 1429 CB TYR A 87 -5.501 0.597 2.228 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.965 -0.768 1.809 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.799 -1.733 1.250 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -3.618 -1.088 1.973 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -5.311 -2.968 0.869 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -3.125 -2.323 1.592 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.976 -3.258 1.040 1.00 0.00 C ATOM 1436 OH TYR A 87 -3.488 -4.487 0.656 1.00 0.00 O ATOM 0 H TYR A 87 -5.899 3.019 2.504 1.00 0.00 H new ATOM 0 HA TYR A 87 -5.195 1.458 0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.727 1.119 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.342 0.449 2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.847 -1.512 1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.948 -0.359 2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.974 -3.703 0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.079 -2.554 1.726 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.691 -4.363 0.099 1.00 0.00 H new ATOM 1446 N GLU A 88 -8.363 1.337 1.202 1.00 0.00 N ATOM 1447 CA GLU A 88 -9.720 0.921 0.847 1.00 0.00 C ATOM 1448 C GLU A 88 -10.012 1.105 -0.647 1.00 0.00 C ATOM 1449 O GLU A 88 -10.606 0.234 -1.281 1.00 0.00 O ATOM 1450 CB GLU A 88 -10.733 1.731 1.668 1.00 0.00 C ATOM 1451 CG GLU A 88 -12.193 1.424 1.343 1.00 0.00 C ATOM 1452 CD GLU A 88 -13.149 2.437 1.952 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -13.307 3.531 1.371 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -13.748 2.153 3.011 1.00 0.00 O ATOM 0 H GLU A 88 -8.320 1.911 2.044 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.808 -0.142 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.561 1.540 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.551 2.793 1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.326 1.408 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.442 0.428 1.709 1.00 0.00 H new ATOM 1461 N ARG A 89 -9.593 2.240 -1.205 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.936 2.577 -2.588 1.00 0.00 C ATOM 1463 C ARG A 89 -8.735 2.449 -3.532 1.00 0.00 C ATOM 1464 O ARG A 89 -8.879 1.978 -4.661 1.00 0.00 O ATOM 1465 CB ARG A 89 -10.520 3.998 -2.658 1.00 0.00 C ATOM 1466 CG ARG A 89 -9.587 5.080 -2.120 1.00 0.00 C ATOM 1467 CD ARG A 89 -10.187 6.474 -2.262 1.00 0.00 C ATOM 1468 NE ARG A 89 -10.519 6.790 -3.653 1.00 0.00 N ATOM 1469 CZ ARG A 89 -10.018 7.819 -4.339 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -9.124 8.631 -3.783 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -10.409 8.031 -5.588 1.00 0.00 N ATOM 0 H ARG A 89 -9.021 2.936 -0.727 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.686 1.860 -2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.766 4.228 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.453 4.024 -2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.371 4.883 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.637 5.038 -2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.086 6.546 -1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.482 7.213 -1.881 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.181 6.179 -4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.816 8.470 -2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.747 9.415 -4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.091 7.408 -6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.028 8.817 -6.115 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.557 2.855 -3.065 1.00 0.00 N ATOM 1486 CA ILE A 90 -6.373 2.931 -3.924 1.00 0.00 C ATOM 1487 C ILE A 90 -5.604 1.609 -3.956 1.00 0.00 C ATOM 1488 O ILE A 90 -5.368 1.046 -5.023 1.00 0.00 O ATOM 1489 CB ILE A 90 -5.412 4.067 -3.465 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -6.128 5.432 -3.494 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -4.146 4.104 -4.330 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.634 5.838 -4.866 1.00 0.00 C ATOM 0 H ILE A 90 -7.394 3.137 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.737 3.149 -4.928 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.112 3.856 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.970 5.403 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.442 6.197 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.494 4.907 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.622 3.151 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.421 4.280 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.125 6.809 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.795 5.902 -5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.346 5.095 -5.226 1.00 0.00 H new ATOM 1504 N VAL A 91 -5.222 1.113 -2.782 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.299 -0.021 -2.694 1.00 0.00 C ATOM 1506 C VAL A 91 -5.040 -1.361 -2.601 1.00 0.00 C ATOM 1507 O VAL A 91 -4.444 -2.420 -2.791 1.00 0.00 O ATOM 1508 CB VAL A 91 -3.343 0.133 -1.482 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -2.223 -0.909 -1.522 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.765 1.547 -1.424 1.00 0.00 C ATOM 0 H VAL A 91 -5.534 1.475 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.714 -0.021 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.924 -0.038 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.570 -0.775 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.656 -1.909 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.644 -0.786 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.098 1.632 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.208 1.750 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.576 2.268 -1.325 1.00 0.00 H new ATOM 1520 N TYR A 92 -6.342 -1.319 -2.330 1.00 0.00 N ATOM 1521 CA TYR A 92 -7.129 -2.547 -2.189 1.00 0.00 C ATOM 1522 C TYR A 92 -7.095 -3.374 -3.489 1.00 0.00 C ATOM 1523 O TYR A 92 -6.912 -4.589 -3.437 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.582 -2.236 -1.772 1.00 0.00 C ATOM 1525 CG TYR A 92 -9.186 -3.252 -0.807 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -8.672 -4.542 -0.696 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -10.264 -2.909 0.005 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -9.218 -5.454 0.186 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.811 -3.816 0.890 1.00 0.00 C ATOM 1530 CZ TYR A 92 -10.286 -5.085 0.978 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.830 -5.992 1.861 1.00 0.00 O ATOM 0 H TYR A 92 -6.873 -0.457 -2.204 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.676 -3.142 -1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.612 -1.250 -1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.203 -2.188 -2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.833 -4.834 -1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.680 -1.914 -0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.811 -6.452 0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.648 -3.531 1.511 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.589 -6.445 1.438 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.272 -2.740 -4.677 1.00 0.00 N ATOM 1542 CA PRO A 93 -7.093 -3.434 -5.962 1.00 0.00 C ATOM 1543 C PRO A 93 -5.697 -4.052 -6.084 1.00 0.00 C ATOM 1544 O PRO A 93 -5.521 -5.095 -6.714 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.292 -2.326 -7.011 1.00 0.00 C ATOM 1546 CG PRO A 93 -8.121 -1.299 -6.318 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.689 -1.333 -4.876 1.00 0.00 C ATOM 0 HA PRO A 93 -7.789 -4.265 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.338 -1.912 -7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.794 -2.707 -7.900 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.963 -0.311 -6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.183 -1.523 -6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.870 -0.640 -4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.503 -1.056 -4.206 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.713 -3.408 -5.455 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.327 -3.872 -5.503 1.00 0.00 C ATOM 1557 C TYR A 94 -3.140 -5.146 -4.682 1.00 0.00 C ATOM 1558 O TYR A 94 -2.260 -5.948 -4.980 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.366 -2.777 -5.024 1.00 0.00 C ATOM 1560 CG TYR A 94 -2.114 -1.694 -6.057 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -3.043 -0.684 -6.293 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -0.941 -1.687 -6.800 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -2.806 0.299 -7.235 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -0.701 -0.708 -7.742 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.631 0.282 -7.955 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.386 1.252 -8.897 1.00 0.00 O ATOM 0 H TYR A 94 -4.852 -2.561 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.093 -4.104 -6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.771 -2.319 -4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.415 -3.234 -4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.965 -0.669 -5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.205 -2.460 -6.638 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.537 1.076 -7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.217 -0.719 -8.312 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.427 1.280 -9.096 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.961 -5.323 -3.649 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.995 -6.585 -2.905 1.00 0.00 C ATOM 1578 C GLU A 95 -4.282 -7.731 -3.878 1.00 0.00 C ATOM 1579 O GLU A 95 -3.455 -8.627 -4.071 1.00 0.00 O ATOM 1580 CB GLU A 95 -5.063 -6.507 -1.786 1.00 0.00 C ATOM 1581 CG GLU A 95 -5.570 -7.853 -1.252 1.00 0.00 C ATOM 1582 CD GLU A 95 -4.492 -8.732 -0.628 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -4.138 -8.517 0.552 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -4.026 -9.668 -1.304 1.00 0.00 O ATOM 0 H GLU A 95 -4.610 -4.614 -3.308 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.031 -6.769 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.648 -5.940 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.916 -5.942 -2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.344 -7.666 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.039 -8.400 -2.069 1.00 0.00 H new ATOM 1591 N MET A 96 -5.431 -7.645 -4.543 1.00 0.00 N ATOM 1592 CA MET A 96 -5.861 -8.670 -5.492 1.00 0.00 C ATOM 1593 C MET A 96 -4.895 -8.762 -6.681 1.00 0.00 C ATOM 1594 O MET A 96 -4.666 -9.843 -7.223 1.00 0.00 O ATOM 1595 CB MET A 96 -7.287 -8.363 -5.973 1.00 0.00 C ATOM 1596 CG MET A 96 -7.878 -9.421 -6.899 1.00 0.00 C ATOM 1597 SD MET A 96 -9.588 -9.058 -7.360 1.00 0.00 S ATOM 1598 CE MET A 96 -10.402 -9.110 -5.763 1.00 0.00 C ATOM 0 H MET A 96 -6.086 -6.870 -4.441 1.00 0.00 H new ATOM 0 HA MET A 96 -5.856 -9.637 -4.988 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.936 -8.254 -5.104 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.285 -7.404 -6.491 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.269 -9.492 -7.800 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.836 -10.393 -6.408 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.467 -9.296 -5.903 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.970 -9.909 -5.160 1.00 0.00 H new ATOM 0 HE3 MET A 96 -10.264 -8.156 -5.253 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.326 -7.625 -7.072 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.375 -7.570 -8.184 1.00 0.00 C ATOM 1610 C TYR A 97 -2.053 -8.244 -7.811 1.00 0.00 C ATOM 1611 O TYR A 97 -1.707 -9.297 -8.349 1.00 0.00 O ATOM 1612 CB TYR A 97 -3.135 -6.107 -8.598 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.955 -5.891 -9.538 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -1.825 -6.620 -10.717 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.974 -4.947 -9.242 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -0.753 -6.416 -11.569 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.096 -4.737 -10.091 1.00 0.00 C ATOM 1618 CZ TYR A 97 0.203 -5.472 -11.253 1.00 0.00 C ATOM 1619 OH TYR A 97 1.269 -5.261 -12.101 1.00 0.00 O ATOM 0 H TYR A 97 -4.507 -6.722 -6.633 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.801 -8.113 -9.028 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.037 -5.728 -9.078 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.978 -5.511 -7.699 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.573 -7.357 -10.971 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.051 -4.369 -8.333 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.665 -6.993 -12.477 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.846 -4.000 -9.845 1.00 0.00 H new ATOM 0 HH TYR A 97 1.682 -4.396 -11.899 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.329 -7.629 -6.880 1.00 0.00 N ATOM 1630 CA GLN A 98 -0.013 -8.107 -6.471 1.00 0.00 C ATOM 1631 C GLN A 98 -0.089 -9.569 -6.036 1.00 0.00 C ATOM 1632 O GLN A 98 0.645 -10.421 -6.546 1.00 0.00 O ATOM 1633 CB GLN A 98 0.539 -7.240 -5.329 1.00 0.00 C ATOM 1634 CG GLN A 98 1.990 -7.540 -4.964 1.00 0.00 C ATOM 1635 CD GLN A 98 2.974 -7.159 -6.061 1.00 0.00 C ATOM 1636 OE1 GLN A 98 3.281 -7.957 -6.944 1.00 0.00 O ATOM 1637 NE2 GLN A 98 3.482 -5.935 -6.004 1.00 0.00 N ATOM 0 H GLN A 98 -1.637 -6.789 -6.390 1.00 0.00 H new ATOM 0 HA GLN A 98 0.663 -8.033 -7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.456 -6.190 -5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.083 -7.382 -4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.247 -7.003 -4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.091 -8.603 -4.747 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.202 -5.301 -5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.152 -5.628 -6.709 1.00 0.00 H new ATOM 1646 N SER A 99 -0.998 -9.864 -5.116 1.00 0.00 N ATOM 1647 CA SER A 99 -1.162 -11.225 -4.630 1.00 0.00 C ATOM 1648 C SER A 99 -1.702 -12.128 -5.741 1.00 0.00 C ATOM 1649 O SER A 99 -1.255 -13.262 -5.892 1.00 0.00 O ATOM 1650 CB SER A 99 -2.077 -11.240 -3.405 1.00 0.00 C ATOM 1651 OG SER A 99 -1.541 -10.423 -2.377 1.00 0.00 O ATOM 0 H SER A 99 -1.629 -9.183 -4.694 1.00 0.00 H new ATOM 0 HA SER A 99 -0.189 -11.615 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.070 -10.884 -3.680 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.194 -12.261 -3.043 1.00 0.00 H new ATOM 0 HG SER A 99 -2.272 -10.036 -1.852 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.621 -11.607 -6.551 1.00 0.00 N ATOM 1658 CA GLY A 100 -3.162 -12.385 -7.655 1.00 0.00 C ATOM 1659 C GLY A 100 -2.091 -12.786 -8.653 1.00 0.00 C ATOM 1660 O GLY A 100 -2.234 -13.788 -9.360 1.00 0.00 O ATOM 0 H GLY A 100 -3.000 -10.664 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.645 -13.280 -7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.931 -11.804 -8.164 1.00 0.00 H new ATOM 1664 N ALA A 101 -1.015 -12.002 -8.710 1.00 0.00 N ATOM 1665 CA ALA A 101 0.106 -12.281 -9.605 1.00 0.00 C ATOM 1666 C ALA A 101 1.168 -13.156 -8.928 1.00 0.00 C ATOM 1667 O ALA A 101 1.833 -13.955 -9.591 1.00 0.00 O ATOM 1668 CB ALA A 101 0.728 -10.974 -10.092 1.00 0.00 C ATOM 0 H ALA A 101 -0.896 -11.163 -8.142 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.281 -12.835 -10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.562 -11.194 -10.758 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.021 -10.392 -10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.088 -10.401 -9.237 1.00 0.00 H new ATOM 1674 N ASN A 102 1.333 -12.997 -7.615 1.00 0.00 N ATOM 1675 CA ASN A 102 2.364 -13.733 -6.868 1.00 0.00 C ATOM 1676 C ASN A 102 1.776 -14.936 -6.124 1.00 0.00 C ATOM 1677 O ASN A 102 2.165 -16.081 -6.365 1.00 0.00 O ATOM 1678 CB ASN A 102 3.075 -12.801 -5.872 1.00 0.00 C ATOM 1679 CG ASN A 102 3.981 -11.784 -6.552 1.00 0.00 C ATOM 1680 OD1 ASN A 102 5.169 -12.034 -6.758 1.00 0.00 O ATOM 1681 ND2 ASN A 102 3.429 -10.635 -6.905 1.00 0.00 N ATOM 0 H ASN A 102 0.769 -12.367 -7.044 1.00 0.00 H new ATOM 0 HA ASN A 102 3.087 -14.106 -7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.328 -12.274 -5.279 1.00 0.00 H new ATOM 0 HB3 ASN A 102 3.666 -13.401 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.991 -9.919 -7.365 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.441 -10.465 -6.717 1.00 0.00 H new ATOM 1688 N LEU A 103 0.844 -14.665 -5.216 1.00 0.00 N ATOM 1689 CA LEU A 103 0.226 -15.697 -4.387 1.00 0.00 C ATOM 1690 C LEU A 103 -1.092 -15.178 -3.811 1.00 0.00 C ATOM 1691 O LEU A 103 -1.116 -14.192 -3.082 1.00 0.00 O ATOM 1692 CB LEU A 103 1.197 -16.160 -3.274 1.00 0.00 C ATOM 1693 CG LEU A 103 2.171 -15.093 -2.713 1.00 0.00 C ATOM 1694 CD1 LEU A 103 1.461 -14.076 -1.821 1.00 0.00 C ATOM 1695 CD2 LEU A 103 3.320 -15.759 -1.960 1.00 0.00 C ATOM 0 H LEU A 103 0.495 -13.724 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 103 0.006 -16.569 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.605 -16.549 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.788 -16.990 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 103 2.577 -14.546 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.184 -13.349 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.691 -13.562 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.001 -14.591 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.993 -14.994 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.921 -16.344 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.867 -16.415 -2.637 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.193 -15.836 -4.151 1.00 0.00 N ATOM 1708 CA VAL A 104 -3.515 -15.327 -3.804 1.00 0.00 C ATOM 1709 C VAL A 104 -4.288 -16.297 -2.912 1.00 0.00 C ATOM 1710 O VAL A 104 -4.653 -17.403 -3.322 1.00 0.00 O ATOM 1711 CB VAL A 104 -4.340 -14.992 -5.078 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -4.383 -16.176 -6.043 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -5.753 -14.533 -4.710 1.00 0.00 C ATOM 0 H VAL A 104 -2.198 -16.718 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.359 -14.409 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.839 -14.169 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.968 -15.907 -6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.369 -16.435 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.843 -17.032 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.310 -14.305 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.262 -15.326 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.695 -13.641 -4.086 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.495 -15.879 -1.669 1.00 0.00 N ATOM 1724 CA CYS A 105 -5.367 -16.585 -0.735 1.00 0.00 C ATOM 1725 C CYS A 105 -6.336 -15.592 -0.091 1.00 0.00 C ATOM 1726 O CYS A 105 -7.192 -15.964 0.712 1.00 0.00 O ATOM 1727 CB CYS A 105 -4.531 -17.291 0.344 1.00 0.00 C ATOM 1728 SG CYS A 105 -5.508 -18.200 1.565 1.00 0.00 S ATOM 0 H CYS A 105 -4.064 -15.041 -1.279 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.936 -17.340 -1.277 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.842 -17.983 -0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -3.924 -16.548 0.861 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.651 -17.605 1.736 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.195 -14.322 -0.461 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.935 -13.235 0.180 1.00 0.00 C ATOM 1736 C ASN A 106 -8.252 -12.922 -0.530 1.00 0.00 C ATOM 1737 O ASN A 106 -8.846 -11.866 -0.303 1.00 0.00 O ATOM 1738 CB ASN A 106 -6.052 -11.983 0.265 1.00 0.00 C ATOM 1739 CG ASN A 106 -4.849 -12.197 1.169 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -4.914 -12.957 2.138 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -3.747 -11.532 0.865 1.00 0.00 N ATOM 0 H ASN A 106 -5.570 -14.017 -1.207 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.196 -13.565 1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.711 -11.711 -0.734 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.643 -11.147 0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.912 -11.639 1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.732 -10.912 0.055 1.00 0.00 H new ATOM 1748 N THR A 107 -8.730 -13.849 -1.356 1.00 0.00 N ATOM 1749 CA THR A 107 -9.970 -13.635 -2.099 1.00 0.00 C ATOM 1750 C THR A 107 -11.166 -13.489 -1.148 1.00 0.00 C ATOM 1751 O THR A 107 -12.033 -12.638 -1.355 1.00 0.00 O ATOM 1752 CB THR A 107 -10.238 -14.792 -3.088 1.00 0.00 C ATOM 1753 OG1 THR A 107 -9.060 -15.045 -3.871 1.00 0.00 O ATOM 1754 CG2 THR A 107 -11.403 -14.463 -4.017 1.00 0.00 C ATOM 0 H THR A 107 -8.282 -14.749 -1.527 1.00 0.00 H new ATOM 0 HA THR A 107 -9.850 -12.710 -2.663 1.00 0.00 H new ATOM 0 HB THR A 107 -10.497 -15.679 -2.510 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.234 -15.780 -4.495 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.569 -15.295 -4.702 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.303 -14.295 -3.426 1.00 0.00 H new ATOM 0 HG23 THR A 107 -11.170 -13.564 -4.588 1.00 0.00 H new ATOM 1762 N ARG A 108 -11.197 -14.312 -0.098 1.00 0.00 N ATOM 1763 CA ARG A 108 -12.269 -14.248 0.900 1.00 0.00 C ATOM 1764 C ARG A 108 -11.974 -13.215 1.995 1.00 0.00 C ATOM 1765 O ARG A 108 -12.868 -12.456 2.370 1.00 0.00 O ATOM 1766 CB ARG A 108 -12.547 -15.631 1.515 1.00 0.00 C ATOM 1767 CG ARG A 108 -13.596 -16.430 0.749 1.00 0.00 C ATOM 1768 CD ARG A 108 -14.922 -15.680 0.697 1.00 0.00 C ATOM 1769 NE ARG A 108 -15.946 -16.411 -0.046 1.00 0.00 N ATOM 1770 CZ ARG A 108 -16.910 -15.828 -0.757 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -16.955 -14.504 -0.870 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -17.822 -16.569 -1.368 1.00 0.00 N ATOM 0 H ARG A 108 -10.495 -15.029 0.084 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.168 -13.923 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.618 -16.200 1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.878 -15.503 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -13.243 -16.623 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -13.741 -17.399 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -15.274 -15.498 1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.767 -14.705 0.234 1.00 0.00 H new ATOM 0 HE ARG A 108 -15.921 -17.430 -0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.249 -13.929 -0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.696 -14.064 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.786 -17.586 -1.294 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -18.560 -16.123 -1.912 1.00 0.00 H new ATOM 1786 N PRO A 109 -10.739 -13.183 2.555 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.319 -12.125 3.489 1.00 0.00 C ATOM 1788 C PRO A 109 -10.797 -10.730 3.070 1.00 0.00 C ATOM 1789 O PRO A 109 -11.076 -9.878 3.916 1.00 0.00 O ATOM 1790 CB PRO A 109 -8.796 -12.233 3.431 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.554 -13.695 3.271 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.673 -14.201 2.390 1.00 0.00 C ATOM 0 HA PRO A 109 -10.741 -12.252 4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.385 -11.665 2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.332 -11.847 4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.582 -13.883 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.557 -14.200 4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.357 -14.285 1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.012 -15.189 2.701 1.00 0.00 H new ATOM 1800 N PHE A 110 -10.897 -10.516 1.759 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.455 -9.282 1.206 1.00 0.00 C ATOM 1802 C PHE A 110 -12.841 -9.031 1.819 1.00 0.00 C ATOM 1803 O PHE A 110 -13.079 -8.008 2.473 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.560 -9.408 -0.328 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.641 -8.095 -1.079 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.636 -7.166 -0.802 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -10.719 -7.798 -2.076 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -12.706 -5.974 -1.501 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -10.786 -6.608 -2.775 1.00 0.00 C ATOM 1810 CZ PHE A 110 -11.781 -5.695 -2.487 1.00 0.00 C ATOM 0 H PHE A 110 -10.596 -11.188 1.054 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.805 -8.441 1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.695 -9.963 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.443 -10.001 -0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.363 -7.377 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.939 -8.508 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -13.485 -5.261 -1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -10.061 -6.392 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 110 -11.835 -4.764 -3.032 1.00 0.00 H new ATOM 1820 N ASP A 111 -13.731 -10.009 1.635 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.102 -9.932 2.141 1.00 0.00 C ATOM 1822 C ASP A 111 -15.113 -9.824 3.661 1.00 0.00 C ATOM 1823 O ASP A 111 -15.968 -9.159 4.239 1.00 0.00 O ATOM 1824 CB ASP A 111 -15.914 -11.172 1.725 1.00 0.00 C ATOM 1825 CG ASP A 111 -16.060 -11.328 0.219 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -16.847 -10.572 -0.394 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -15.399 -12.217 -0.362 1.00 0.00 O ATOM 0 H ASP A 111 -13.522 -10.872 1.133 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.557 -9.041 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.433 -12.063 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.906 -11.114 2.174 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.155 -10.488 4.300 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.097 -10.545 5.763 1.00 0.00 C ATOM 1834 C ASN A 112 -13.483 -9.278 6.354 1.00 0.00 C ATOM 1835 O ASN A 112 -13.602 -9.033 7.556 1.00 0.00 O ATOM 1836 CB ASN A 112 -13.312 -11.779 6.229 1.00 0.00 C ATOM 1837 CG ASN A 112 -14.040 -13.079 5.932 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -14.843 -13.551 6.736 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -13.768 -13.670 4.779 1.00 0.00 N ATOM 0 H ASN A 112 -13.406 -10.996 3.830 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.123 -10.621 6.124 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -12.338 -11.792 5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.129 -11.706 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -14.230 -14.546 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -13.096 -13.250 4.136 1.00 0.00 H new ATOM 1846 N GLU A 113 -12.815 -8.486 5.520 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.263 -7.211 5.966 1.00 0.00 C ATOM 1848 C GLU A 113 -13.324 -6.120 5.822 1.00 0.00 C ATOM 1849 O GLU A 113 -13.617 -5.390 6.774 1.00 0.00 O ATOM 1850 CB GLU A 113 -10.997 -6.854 5.166 1.00 0.00 C ATOM 1851 CG GLU A 113 -9.971 -6.024 5.944 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.488 -4.664 6.398 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -10.577 -3.740 5.561 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -10.800 -4.506 7.596 1.00 0.00 O ATOM 0 H GLU A 113 -12.644 -8.703 4.538 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.978 -7.293 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.522 -7.776 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.290 -6.303 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.650 -6.589 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.090 -5.876 5.319 1.00 0.00 H new ATOM 1861 N GLU A 114 -13.913 -6.024 4.630 1.00 0.00 N ATOM 1862 CA GLU A 114 -14.958 -5.029 4.383 1.00 0.00 C ATOM 1863 C GLU A 114 -16.221 -5.370 5.175 1.00 0.00 C ATOM 1864 O GLU A 114 -16.887 -4.485 5.721 1.00 0.00 O ATOM 1865 CB GLU A 114 -15.281 -4.907 2.885 1.00 0.00 C ATOM 1866 CG GLU A 114 -15.722 -6.208 2.223 1.00 0.00 C ATOM 1867 CD GLU A 114 -16.348 -5.981 0.856 1.00 0.00 C ATOM 1868 OE1 GLU A 114 -15.628 -5.565 -0.078 1.00 0.00 O ATOM 1869 OE2 GLU A 114 -17.568 -6.212 0.711 1.00 0.00 O ATOM 0 H GLU A 114 -13.689 -6.615 3.829 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.580 -4.064 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.068 -4.164 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.399 -4.531 2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.862 -6.870 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.439 -6.716 2.868 1.00 0.00 H new ATOM 1876 N LYS A 115 -16.543 -6.657 5.239 1.00 0.00 N ATOM 1877 CA LYS A 115 -17.669 -7.137 6.028 1.00 0.00 C ATOM 1878 C LYS A 115 -17.136 -8.028 7.147 1.00 0.00 C ATOM 1879 O LYS A 115 -17.167 -9.258 7.052 1.00 0.00 O ATOM 1880 CB LYS A 115 -18.676 -7.893 5.135 1.00 0.00 C ATOM 1881 CG LYS A 115 -20.086 -8.048 5.727 1.00 0.00 C ATOM 1882 CD LYS A 115 -20.173 -9.062 6.877 1.00 0.00 C ATOM 1883 CE LYS A 115 -20.116 -10.516 6.399 1.00 0.00 C ATOM 1884 NZ LYS A 115 -18.813 -10.873 5.772 1.00 0.00 N ATOM 0 H LYS A 115 -16.034 -7.392 4.748 1.00 0.00 H new ATOM 0 HA LYS A 115 -18.202 -6.294 6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.755 -7.371 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.277 -8.885 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -20.427 -7.077 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -20.770 -8.353 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.355 -8.883 7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -21.101 -8.902 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.299 -11.178 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.918 -10.688 5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -18.626 -11.886 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -18.850 -10.666 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.052 -10.316 6.211 1.00 0.00 H new ATOM 1898 N ASP A 116 -16.595 -7.393 8.178 1.00 0.00 N ATOM 1899 CA ASP A 116 -16.102 -8.101 9.353 1.00 0.00 C ATOM 1900 C ASP A 116 -17.273 -8.488 10.244 1.00 0.00 C ATOM 1901 O ASP A 116 -17.388 -9.630 10.691 1.00 0.00 O ATOM 1902 CB ASP A 116 -15.117 -7.222 10.135 1.00 0.00 C ATOM 1903 CG ASP A 116 -14.642 -7.879 11.425 1.00 0.00 C ATOM 1904 OD1 ASP A 116 -15.298 -7.696 12.473 1.00 0.00 O ATOM 1905 OD2 ASP A 116 -13.607 -8.580 11.399 1.00 0.00 O ATOM 0 H ASP A 116 -16.486 -6.380 8.224 1.00 0.00 H new ATOM 0 HA ASP A 116 -15.580 -9.002 9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -14.255 -7.000 9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -15.593 -6.270 10.370 1.00 0.00 H new ATOM 1910 N LYS A 117 -18.143 -7.517 10.482 1.00 0.00 N ATOM 1911 CA LYS A 117 -19.321 -7.711 11.310 1.00 0.00 C ATOM 1912 C LYS A 117 -20.568 -7.826 10.430 1.00 0.00 C ATOM 1913 O LYS A 117 -20.894 -6.855 9.716 1.00 0.00 O ATOM 1914 CB LYS A 117 -19.453 -6.563 12.330 1.00 0.00 C ATOM 1915 CG LYS A 117 -19.363 -5.162 11.721 1.00 0.00 C ATOM 1916 CD LYS A 117 -19.467 -4.068 12.782 1.00 0.00 C ATOM 1917 CE LYS A 117 -20.808 -4.097 13.512 1.00 0.00 C ATOM 1918 NZ LYS A 117 -21.949 -3.867 12.586 1.00 0.00 N ATOM 1919 OXT LYS A 117 -21.222 -8.891 10.454 1.00 0.00 O ATOM 0 H LYS A 117 -18.051 -6.573 10.106 1.00 0.00 H new ATOM 0 HA LYS A 117 -19.217 -8.641 11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.408 -6.661 12.847 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -18.671 -6.670 13.082 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -18.419 -5.059 11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -20.160 -5.033 10.989 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -18.660 -4.187 13.504 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -19.333 -3.094 12.311 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -20.931 -5.060 14.007 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -20.814 -3.335 14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -22.820 -3.725 13.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -21.763 -3.022 12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -22.063 -4.693 11.964 1.00 0.00 H new TER 1933 LYS A 117