USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 465 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 1 THR OG1 : rot 38:sc= 0.741 USER MOD Set 1.2: A 3 TYR OH : rot 180:sc= -0.0844 USER MOD Single : A 1 THR N :NH3+ 172:sc= 0.732 (180deg=0.696) USER MOD Single : A 2 THR OG1 : rot 3:sc= 0.918 USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= -0.364 (180deg=-1.24!) USER MOD Single : A 8 ASN : amide:sc= -0.637 K(o=-0.64,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.0043) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= -1.35 (180deg=-3.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 45 TYR OH : rot 172:sc= -1.05 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.408 -13.827 4.394 1.00 0.00 N ATOM 2 CA THR A 1 4.503 -13.254 3.365 1.00 0.00 C ATOM 3 C THR A 1 4.935 -11.844 2.971 1.00 0.00 C ATOM 4 O THR A 1 5.104 -10.976 3.826 1.00 0.00 O ATOM 5 CB THR A 1 3.080 -13.233 3.924 1.00 0.00 C ATOM 6 OG1 THR A 1 3.094 -12.981 5.319 1.00 0.00 O ATOM 7 CG2 THR A 1 2.328 -14.526 3.700 1.00 0.00 C ATOM 0 H1 THR A 1 5.015 -14.726 4.740 1.00 0.00 H new ATOM 0 H2 THR A 1 6.345 -13.997 3.976 1.00 0.00 H new ATOM 0 H3 THR A 1 5.498 -13.160 5.187 1.00 0.00 H new ATOM 0 HA THR A 1 4.546 -13.872 2.468 1.00 0.00 H new ATOM 0 HB THR A 1 2.569 -12.437 3.382 1.00 0.00 H new ATOM 0 HG1 THR A 1 3.796 -12.330 5.527 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.326 -14.442 4.121 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.257 -14.725 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.859 -15.344 4.187 1.00 0.00 H new ATOM 17 N THR A 2 5.111 -11.627 1.671 1.00 0.00 N ATOM 18 CA THR A 2 5.523 -10.323 1.164 1.00 0.00 C ATOM 19 C THR A 2 4.335 -9.570 0.576 1.00 0.00 C ATOM 20 O THR A 2 3.753 -9.991 -0.424 1.00 0.00 O ATOM 21 CB THR A 2 6.614 -10.485 0.105 1.00 0.00 C ATOM 22 OG1 THR A 2 6.066 -10.957 -1.112 1.00 0.00 O ATOM 23 CG2 THR A 2 7.710 -11.443 0.517 1.00 0.00 C ATOM 0 H THR A 2 4.975 -12.336 0.951 1.00 0.00 H new ATOM 0 HA THR A 2 5.921 -9.745 1.998 1.00 0.00 H new ATOM 0 HB THR A 2 7.048 -9.492 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.093 -11.036 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.451 -11.512 -0.279 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.188 -11.080 1.427 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.282 -12.429 0.700 1.00 0.00 H new ATOM 31 N TYR A 3 3.980 -8.453 1.202 1.00 0.00 N ATOM 32 CA TYR A 3 2.860 -7.640 0.741 1.00 0.00 C ATOM 33 C TYR A 3 3.356 -6.395 0.013 1.00 0.00 C ATOM 34 O TYR A 3 4.354 -5.791 0.407 1.00 0.00 O ATOM 35 CB TYR A 3 1.974 -7.239 1.921 1.00 0.00 C ATOM 36 CG TYR A 3 1.388 -8.419 2.665 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.154 -9.148 3.567 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.070 -8.806 2.462 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.623 -10.227 4.246 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.470 -9.884 3.138 1.00 0.00 C ATOM 41 CZ TYR A 3 0.311 -10.590 4.028 1.00 0.00 C ATOM 42 OH TYR A 3 -0.222 -11.665 4.703 1.00 0.00 O ATOM 0 H TYR A 3 4.452 -8.090 2.030 1.00 0.00 H new ATOM 0 HA TYR A 3 2.273 -8.236 0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.559 -6.636 2.616 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.162 -6.609 1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.182 -8.866 3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.544 -8.255 1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.232 -10.783 4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.497 -10.171 2.970 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.157 -11.787 4.437 1.00 0.00 H new ATOM 52 N LYS A 4 2.654 -6.016 -1.052 1.00 0.00 N ATOM 53 CA LYS A 4 3.030 -4.841 -1.835 1.00 0.00 C ATOM 54 C LYS A 4 1.884 -3.843 -1.910 1.00 0.00 C ATOM 55 O LYS A 4 0.712 -4.213 -1.839 1.00 0.00 O ATOM 56 CB LYS A 4 3.462 -5.254 -3.243 1.00 0.00 C ATOM 57 CG LYS A 4 4.966 -5.414 -3.397 1.00 0.00 C ATOM 58 CD LYS A 4 5.419 -5.083 -4.809 1.00 0.00 C ATOM 59 CE LYS A 4 5.419 -6.316 -5.697 1.00 0.00 C ATOM 60 NZ LYS A 4 6.235 -7.418 -5.118 1.00 0.00 N ATOM 0 H LYS A 4 1.825 -6.503 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 4 3.870 -4.359 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.977 -6.195 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.110 -4.508 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.477 -4.763 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.251 -6.437 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.761 -4.326 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.421 -4.654 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.395 -6.660 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.808 -6.055 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.647 -7.985 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.998 -7.016 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.631 -8.023 -4.526 1.00 0.00 H new ATOM 74 N LEU A 5 2.239 -2.571 -2.045 1.00 0.00 N ATOM 75 CA LEU A 5 1.252 -1.506 -2.119 1.00 0.00 C ATOM 76 C LEU A 5 1.521 -0.589 -3.313 1.00 0.00 C ATOM 77 O LEU A 5 2.611 -0.033 -3.448 1.00 0.00 O ATOM 78 CB LEU A 5 1.262 -0.707 -0.814 1.00 0.00 C ATOM 79 CG LEU A 5 0.643 0.694 -0.892 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.733 0.633 -1.537 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.552 1.319 0.492 1.00 0.00 C ATOM 0 H LEU A 5 3.206 -2.253 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 5 0.267 -1.951 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.729 -1.279 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.294 -0.611 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 5 1.289 1.319 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.157 1.636 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.645 0.229 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.384 -0.009 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.110 2.312 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.070 0.694 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.551 1.399 0.922 1.00 0.00 H new ATOM 93 N ILE A 6 0.517 -0.437 -4.170 1.00 0.00 N ATOM 94 CA ILE A 6 0.637 0.414 -5.350 1.00 0.00 C ATOM 95 C ILE A 6 -0.087 1.740 -5.143 1.00 0.00 C ATOM 96 O ILE A 6 -1.316 1.789 -5.107 1.00 0.00 O ATOM 97 CB ILE A 6 0.079 -0.285 -6.606 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.748 -1.644 -6.797 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.279 0.584 -7.838 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.236 -1.545 -7.015 1.00 0.00 C ATOM 0 H ILE A 6 -0.390 -0.892 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 6 1.699 0.607 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.991 -0.440 -6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.556 -2.263 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.295 -2.149 -7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.122 0.072 -8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.241 1.532 -7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.343 0.771 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.652 -2.544 -7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.434 -0.951 -7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.699 -1.068 -6.151 1.00 0.00 H new ATOM 112 N LEU A 7 0.686 2.813 -5.004 1.00 0.00 N ATOM 113 CA LEU A 7 0.121 4.143 -4.795 1.00 0.00 C ATOM 114 C LEU A 7 0.114 4.949 -6.090 1.00 0.00 C ATOM 115 O LEU A 7 1.148 5.111 -6.738 1.00 0.00 O ATOM 116 CB LEU A 7 0.914 4.893 -3.723 1.00 0.00 C ATOM 117 CG LEU A 7 1.142 4.118 -2.426 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.479 4.496 -1.807 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.007 4.375 -1.446 1.00 0.00 C ATOM 0 H LEU A 7 1.705 2.788 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.909 4.020 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.883 5.171 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.391 5.820 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 7 1.161 3.053 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.624 3.934 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.283 4.261 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.489 5.564 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.185 3.815 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.043 5.440 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.936 4.054 -1.889 1.00 0.00 H new ATOM 131 N ASN A 8 -1.059 5.458 -6.455 1.00 0.00 N ATOM 132 CA ASN A 8 -1.201 6.257 -7.668 1.00 0.00 C ATOM 133 C ASN A 8 -1.873 7.592 -7.357 1.00 0.00 C ATOM 134 O ASN A 8 -3.091 7.662 -7.194 1.00 0.00 O ATOM 135 CB ASN A 8 -2.015 5.495 -8.718 1.00 0.00 C ATOM 136 CG ASN A 8 -1.509 5.735 -10.128 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.440 4.812 -10.940 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.151 6.978 -10.430 1.00 0.00 N ATOM 0 H ASN A 8 -1.924 5.332 -5.929 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.205 6.451 -8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.978 4.428 -8.498 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.060 5.798 -8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.804 7.196 -11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.224 7.714 -9.728 1.00 0.00 H new ATOM 145 N LEU A 9 -1.071 8.640 -7.271 1.00 0.00 N ATOM 146 CA LEU A 9 -1.587 9.977 -6.980 1.00 0.00 C ATOM 147 C LEU A 9 -1.427 10.896 -8.179 1.00 0.00 C ATOM 148 O LEU A 9 -0.897 10.499 -9.217 1.00 0.00 O ATOM 149 CB LEU A 9 -0.870 10.567 -5.765 1.00 0.00 C ATOM 150 CG LEU A 9 0.644 10.733 -5.925 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.073 12.145 -5.538 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.387 9.704 -5.096 1.00 0.00 C ATOM 0 H LEU A 9 -0.060 8.596 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.650 9.889 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.306 11.541 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.061 9.928 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 9 0.896 10.573 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.152 12.243 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.569 12.867 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.805 12.335 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.461 9.840 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.129 9.829 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.106 8.703 -5.422 1.00 0.00 H new ATOM 164 N LYS A 10 -1.886 12.138 -8.033 1.00 0.00 N ATOM 165 CA LYS A 10 -1.794 13.122 -9.105 1.00 0.00 C ATOM 166 C LYS A 10 -0.519 13.951 -8.976 1.00 0.00 C ATOM 167 O LYS A 10 -0.569 15.147 -8.708 1.00 0.00 O ATOM 168 CB LYS A 10 -3.018 14.037 -9.089 1.00 0.00 C ATOM 169 CG LYS A 10 -3.222 14.804 -10.392 1.00 0.00 C ATOM 170 CD LYS A 10 -3.001 16.295 -10.205 1.00 0.00 C ATOM 171 CE LYS A 10 -4.270 16.991 -9.745 1.00 0.00 C ATOM 172 NZ LYS A 10 -3.985 18.062 -8.750 1.00 0.00 N ATOM 0 H LYS A 10 -2.326 12.485 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.761 12.588 -10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.906 13.439 -8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.919 14.749 -8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.534 14.426 -11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.232 14.629 -10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.210 16.458 -9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.663 16.735 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.781 17.422 -10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.948 16.258 -9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.876 18.513 -8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.520 17.647 -7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.359 18.774 -9.177 1.00 0.00 H new ATOM 186 N GLN A 11 0.624 13.296 -9.164 1.00 0.00 N ATOM 187 CA GLN A 11 1.915 13.974 -9.069 1.00 0.00 C ATOM 188 C GLN A 11 3.055 13.011 -9.382 1.00 0.00 C ATOM 189 O GLN A 11 3.965 13.336 -10.141 1.00 0.00 O ATOM 190 CB GLN A 11 2.101 14.565 -7.670 1.00 0.00 C ATOM 191 CG GLN A 11 2.950 15.843 -7.660 1.00 0.00 C ATOM 192 CD GLN A 11 4.189 15.706 -6.798 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.130 15.862 -5.577 1.00 0.00 O ATOM 194 NE2 GLN A 11 5.320 15.411 -7.429 1.00 0.00 N ATOM 0 H GLN A 11 0.683 12.301 -9.382 1.00 0.00 H new ATOM 0 HA GLN A 11 1.931 14.781 -9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.123 14.784 -7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.570 13.820 -7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.246 16.088 -8.680 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.347 16.674 -7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.322 15.291 -8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.186 15.305 -6.901 1.00 0.00 H new ATOM 203 N ALA A 12 2.998 11.822 -8.790 1.00 0.00 N ATOM 204 CA ALA A 12 4.026 10.809 -9.004 1.00 0.00 C ATOM 205 C ALA A 12 3.580 9.449 -8.471 1.00 0.00 C ATOM 206 O ALA A 12 2.733 9.368 -7.585 1.00 0.00 O ATOM 207 CB ALA A 12 5.329 11.236 -8.345 1.00 0.00 C ATOM 0 H ALA A 12 2.250 11.536 -8.158 1.00 0.00 H new ATOM 0 HA ALA A 12 4.188 10.711 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.088 10.472 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.663 12.180 -8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.171 11.363 -7.274 1.00 0.00 H new ATOM 213 N LYS A 13 4.157 8.386 -9.022 1.00 0.00 N ATOM 214 CA LYS A 13 3.819 7.034 -8.606 1.00 0.00 C ATOM 215 C LYS A 13 4.753 6.562 -7.498 1.00 0.00 C ATOM 216 O LYS A 13 5.973 6.568 -7.650 1.00 0.00 O ATOM 217 CB LYS A 13 3.894 6.073 -9.795 1.00 0.00 C ATOM 218 CG LYS A 13 3.003 4.858 -9.652 1.00 0.00 C ATOM 219 CD LYS A 13 3.524 3.687 -10.470 1.00 0.00 C ATOM 220 CE LYS A 13 2.776 2.404 -10.142 1.00 0.00 C ATOM 221 NZ LYS A 13 1.494 2.301 -10.893 1.00 0.00 N ATOM 0 H LYS A 13 4.861 8.437 -9.758 1.00 0.00 H new ATOM 0 HA LYS A 13 2.799 7.043 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.618 6.610 -10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.925 5.744 -9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.942 4.572 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.992 5.107 -9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.421 3.909 -11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.588 3.550 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.405 1.546 -10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.574 2.365 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.015 1.413 -10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.883 3.106 -10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.688 2.312 -11.915 1.00 0.00 H new ATOM 235 N GLU A 14 4.169 6.146 -6.379 1.00 0.00 N ATOM 236 CA GLU A 14 4.948 5.666 -5.243 1.00 0.00 C ATOM 237 C GLU A 14 4.679 4.187 -4.987 1.00 0.00 C ATOM 238 O GLU A 14 3.532 3.739 -5.023 1.00 0.00 O ATOM 239 CB GLU A 14 4.622 6.486 -3.992 1.00 0.00 C ATOM 240 CG GLU A 14 5.780 7.346 -3.513 1.00 0.00 C ATOM 241 CD GLU A 14 5.412 8.810 -3.406 1.00 0.00 C ATOM 242 OE1 GLU A 14 4.554 9.152 -2.565 1.00 0.00 O ATOM 243 OE2 GLU A 14 5.984 9.620 -4.166 1.00 0.00 O ATOM 0 H GLU A 14 3.159 6.132 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 14 6.005 5.786 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.765 7.127 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.326 5.809 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.116 6.988 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.619 7.235 -4.200 1.00 0.00 H new ATOM 250 N GLU A 15 5.741 3.431 -4.728 1.00 0.00 N ATOM 251 CA GLU A 15 5.615 2.001 -4.468 1.00 0.00 C ATOM 252 C GLU A 15 5.935 1.677 -3.015 1.00 0.00 C ATOM 253 O GLU A 15 7.021 1.982 -2.522 1.00 0.00 O ATOM 254 CB GLU A 15 6.543 1.208 -5.389 1.00 0.00 C ATOM 255 CG GLU A 15 6.070 1.156 -6.832 1.00 0.00 C ATOM 256 CD GLU A 15 7.145 0.661 -7.780 1.00 0.00 C ATOM 257 OE1 GLU A 15 8.340 0.810 -7.451 1.00 0.00 O ATOM 258 OE2 GLU A 15 6.790 0.128 -8.853 1.00 0.00 O ATOM 0 H GLU A 15 6.697 3.784 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 15 4.582 1.716 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.538 1.652 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.635 0.191 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.200 0.503 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.748 2.150 -7.141 1.00 0.00 H new ATOM 265 N ALA A 16 4.984 1.044 -2.336 1.00 0.00 N ATOM 266 CA ALA A 16 5.163 0.661 -0.944 1.00 0.00 C ATOM 267 C ALA A 16 5.300 -0.851 -0.825 1.00 0.00 C ATOM 268 O ALA A 16 4.553 -1.599 -1.453 1.00 0.00 O ATOM 269 CB ALA A 16 3.999 1.161 -0.101 1.00 0.00 C ATOM 0 H ALA A 16 4.080 0.786 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 16 6.078 1.121 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.149 0.866 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.944 2.248 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.070 0.728 -0.471 1.00 0.00 H new ATOM 275 N ILE A 17 6.256 -1.299 -0.020 1.00 0.00 N ATOM 276 CA ILE A 17 6.479 -2.728 0.164 1.00 0.00 C ATOM 277 C ILE A 17 6.935 -3.045 1.583 1.00 0.00 C ATOM 278 O ILE A 17 7.490 -2.193 2.277 1.00 0.00 O ATOM 279 CB ILE A 17 7.502 -3.282 -0.858 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.938 -2.861 -0.514 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.141 -2.819 -2.264 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.982 -3.826 -1.024 1.00 0.00 C ATOM 0 H ILE A 17 6.885 -0.698 0.512 1.00 0.00 H new ATOM 0 HA ILE A 17 5.522 -3.220 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 17 7.458 -4.370 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.130 -1.874 -0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.034 -2.772 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.867 -3.214 -2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.146 -3.181 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.152 -1.730 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.974 -3.469 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.814 -4.809 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.912 -3.897 -2.109 1.00 0.00 H new ATOM 294 N LYS A 18 6.685 -4.279 2.008 1.00 0.00 N ATOM 295 CA LYS A 18 7.057 -4.713 3.347 1.00 0.00 C ATOM 296 C LYS A 18 6.913 -6.229 3.480 1.00 0.00 C ATOM 297 O LYS A 18 5.909 -6.806 3.062 1.00 0.00 O ATOM 298 CB LYS A 18 6.183 -3.995 4.379 1.00 0.00 C ATOM 299 CG LYS A 18 6.145 -4.669 5.744 1.00 0.00 C ATOM 300 CD LYS A 18 7.526 -4.721 6.379 1.00 0.00 C ATOM 301 CE LYS A 18 7.444 -4.633 7.894 1.00 0.00 C ATOM 302 NZ LYS A 18 8.708 -5.062 8.543 1.00 0.00 N ATOM 0 H LYS A 18 6.227 -4.995 1.444 1.00 0.00 H new ATOM 0 HA LYS A 18 8.101 -4.458 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.548 -2.975 4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.166 -3.926 3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.462 -4.128 6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.753 -5.681 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.025 -5.647 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.134 -3.901 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.216 -3.608 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.624 -5.256 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.611 -4.987 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.913 -6.048 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.487 -4.451 8.223 1.00 0.00 H new ATOM 316 N GLU A 19 7.922 -6.866 4.063 1.00 0.00 N ATOM 317 CA GLU A 19 7.907 -8.313 4.253 1.00 0.00 C ATOM 318 C GLU A 19 7.707 -8.667 5.722 1.00 0.00 C ATOM 319 O GLU A 19 8.554 -8.381 6.560 1.00 0.00 O ATOM 320 CB GLU A 19 9.205 -8.930 3.737 1.00 0.00 C ATOM 321 CG GLU A 19 9.142 -9.353 2.280 1.00 0.00 C ATOM 322 CD GLU A 19 9.846 -8.378 1.356 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.079 -8.518 1.176 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.179 -7.477 0.818 1.00 0.00 O ATOM 0 H GLU A 19 8.761 -6.404 4.413 1.00 0.00 H new ATOM 0 HA GLU A 19 7.071 -8.720 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.014 -8.211 3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.452 -9.798 4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.593 -10.339 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.099 -9.445 1.978 1.00 0.00 H new ATOM 331 N ALA A 20 6.573 -9.289 6.026 1.00 0.00 N ATOM 332 CA ALA A 20 6.261 -9.683 7.395 1.00 0.00 C ATOM 333 C ALA A 20 5.693 -11.098 7.444 1.00 0.00 C ATOM 334 O ALA A 20 5.355 -11.678 6.413 1.00 0.00 O ATOM 335 CB ALA A 20 5.281 -8.697 8.016 1.00 0.00 C ATOM 0 H ALA A 20 5.855 -9.531 5.343 1.00 0.00 H new ATOM 0 HA ALA A 20 7.187 -9.672 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.056 -9.002 9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.723 -7.701 8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.361 -8.681 7.431 1.00 0.00 H new ATOM 341 N VAL A 21 5.596 -11.649 8.651 1.00 0.00 N ATOM 342 CA VAL A 21 5.072 -13.001 8.834 1.00 0.00 C ATOM 343 C VAL A 21 3.566 -12.991 9.100 1.00 0.00 C ATOM 344 O VAL A 21 3.021 -13.950 9.644 1.00 0.00 O ATOM 345 CB VAL A 21 5.776 -13.732 9.995 1.00 0.00 C ATOM 346 CG1 VAL A 21 5.567 -15.236 9.880 1.00 0.00 C ATOM 347 CG2 VAL A 21 7.260 -13.398 10.026 1.00 0.00 C ATOM 0 H VAL A 21 5.872 -11.182 9.515 1.00 0.00 H new ATOM 0 HA VAL A 21 5.269 -13.532 7.903 1.00 0.00 H new ATOM 0 HB VAL A 21 5.334 -13.391 10.931 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.070 -15.738 10.707 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.501 -15.459 9.915 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.981 -15.590 8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.734 -13.926 10.853 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.722 -13.705 9.088 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.388 -12.324 10.159 1.00 0.00 H new ATOM 357 N ASP A 22 2.898 -11.907 8.714 1.00 0.00 N ATOM 358 CA ASP A 22 1.458 -11.788 8.915 1.00 0.00 C ATOM 359 C ASP A 22 0.865 -10.745 7.974 1.00 0.00 C ATOM 360 O ASP A 22 1.510 -10.325 7.012 1.00 0.00 O ATOM 361 CB ASP A 22 1.155 -11.417 10.369 1.00 0.00 C ATOM 362 CG ASP A 22 -0.006 -12.209 10.938 1.00 0.00 C ATOM 363 OD1 ASP A 22 -0.801 -12.750 10.142 1.00 0.00 O ATOM 364 OD2 ASP A 22 -0.121 -12.285 12.179 1.00 0.00 O ATOM 0 H ASP A 22 3.330 -11.101 8.262 1.00 0.00 H new ATOM 0 HA ASP A 22 1.001 -12.752 8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.042 -11.590 10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.930 -10.352 10.430 1.00 0.00 H new ATOM 369 N ALA A 23 -0.366 -10.325 8.253 1.00 0.00 N ATOM 370 CA ALA A 23 -1.037 -9.330 7.426 1.00 0.00 C ATOM 371 C ALA A 23 -1.399 -8.093 8.236 1.00 0.00 C ATOM 372 O ALA A 23 -1.248 -6.966 7.765 1.00 0.00 O ATOM 373 CB ALA A 23 -2.283 -9.922 6.789 1.00 0.00 C ATOM 0 H ALA A 23 -0.917 -10.658 9.044 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.346 -9.029 6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.772 -9.166 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.004 -10.771 6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.968 -10.254 7.569 1.00 0.00 H new ATOM 379 N GLY A 24 -1.874 -8.306 9.462 1.00 0.00 N ATOM 380 CA GLY A 24 -2.242 -7.190 10.316 1.00 0.00 C ATOM 381 C GLY A 24 -1.152 -6.137 10.372 1.00 0.00 C ATOM 382 O GLY A 24 -1.430 -4.945 10.513 1.00 0.00 O ATOM 0 H GLY A 24 -2.010 -9.228 9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.163 -6.739 9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.446 -7.555 11.323 1.00 0.00 H new ATOM 386 N THR A 25 0.092 -6.585 10.244 1.00 0.00 N ATOM 387 CA THR A 25 1.236 -5.689 10.264 1.00 0.00 C ATOM 388 C THR A 25 1.410 -5.021 8.906 1.00 0.00 C ATOM 389 O THR A 25 1.904 -3.898 8.816 1.00 0.00 O ATOM 390 CB THR A 25 2.506 -6.454 10.640 1.00 0.00 C ATOM 391 OG1 THR A 25 2.187 -7.651 11.327 1.00 0.00 O ATOM 392 CG2 THR A 25 3.446 -5.658 11.520 1.00 0.00 C ATOM 0 H THR A 25 0.332 -7.569 10.125 1.00 0.00 H new ATOM 0 HA THR A 25 1.057 -4.918 11.014 1.00 0.00 H new ATOM 0 HB THR A 25 3.007 -6.663 9.695 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.013 -8.126 11.557 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.326 -6.259 11.749 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.752 -4.751 10.999 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.938 -5.390 12.446 1.00 0.00 H new ATOM 400 N ALA A 26 0.993 -5.716 7.851 1.00 0.00 N ATOM 401 CA ALA A 26 1.097 -5.180 6.500 1.00 0.00 C ATOM 402 C ALA A 26 0.111 -4.035 6.306 1.00 0.00 C ATOM 403 O ALA A 26 0.423 -3.033 5.663 1.00 0.00 O ATOM 404 CB ALA A 26 0.850 -6.276 5.474 1.00 0.00 C ATOM 0 H ALA A 26 0.582 -6.648 7.907 1.00 0.00 H new ATOM 0 HA ALA A 26 2.106 -4.794 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.931 -5.860 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.590 -7.066 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.149 -6.689 5.616 1.00 0.00 H new ATOM 410 N GLU A 27 -1.079 -4.191 6.875 1.00 0.00 N ATOM 411 CA GLU A 27 -2.114 -3.169 6.777 1.00 0.00 C ATOM 412 C GLU A 27 -1.733 -1.942 7.598 1.00 0.00 C ATOM 413 O GLU A 27 -1.582 -0.845 7.061 1.00 0.00 O ATOM 414 CB GLU A 27 -3.457 -3.724 7.256 1.00 0.00 C ATOM 415 CG GLU A 27 -4.594 -2.718 7.180 1.00 0.00 C ATOM 416 CD GLU A 27 -5.890 -3.339 6.697 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.858 -4.066 5.682 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.937 -3.098 7.334 1.00 0.00 O ATOM 0 H GLU A 27 -1.351 -5.016 7.409 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.207 -2.874 5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.715 -4.597 6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.353 -4.065 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.751 -2.278 8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.312 -1.906 6.509 1.00 0.00 H new ATOM 425 N LYS A 28 -1.579 -2.135 8.906 1.00 0.00 N ATOM 426 CA LYS A 28 -1.212 -1.044 9.804 1.00 0.00 C ATOM 427 C LYS A 28 0.062 -0.344 9.331 1.00 0.00 C ATOM 428 O LYS A 28 0.195 0.873 9.462 1.00 0.00 O ATOM 429 CB LYS A 28 -1.021 -1.570 11.229 1.00 0.00 C ATOM 430 CG LYS A 28 -2.212 -1.311 12.138 1.00 0.00 C ATOM 431 CD LYS A 28 -1.884 -1.624 13.589 1.00 0.00 C ATOM 432 CE LYS A 28 -1.393 -0.390 14.327 1.00 0.00 C ATOM 433 NZ LYS A 28 -0.319 -0.717 15.303 1.00 0.00 N ATOM 0 H LYS A 28 -1.703 -3.036 9.367 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.024 -0.317 9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.831 -2.643 11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.135 -1.106 11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.518 -0.269 12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.057 -1.920 11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.770 -2.018 14.087 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.122 -2.402 13.631 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.020 0.339 13.607 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.228 0.077 14.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.012 0.152 15.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.682 -1.393 16.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.489 -1.139 14.802 1.00 0.00 H new ATOM 447 N TYR A 29 0.996 -1.117 8.783 1.00 0.00 N ATOM 448 CA TYR A 29 2.254 -0.560 8.293 1.00 0.00 C ATOM 449 C TYR A 29 2.020 0.245 7.018 1.00 0.00 C ATOM 450 O TYR A 29 2.430 1.403 6.919 1.00 0.00 O ATOM 451 CB TYR A 29 3.275 -1.676 8.033 1.00 0.00 C ATOM 452 CG TYR A 29 4.546 -1.199 7.365 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.581 -0.941 6.000 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.709 -1.007 8.099 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.740 -0.506 5.386 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.873 -0.571 7.493 1.00 0.00 C ATOM 457 CZ TYR A 29 6.882 -0.323 6.137 1.00 0.00 C ATOM 458 OH TYR A 29 8.038 0.111 5.528 1.00 0.00 O ATOM 0 H TYR A 29 0.907 -2.126 8.667 1.00 0.00 H new ATOM 0 HA TYR A 29 2.654 0.105 9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.530 -2.150 8.981 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.812 -2.440 7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.688 -1.083 5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.704 -1.202 9.161 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.751 -0.310 4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.769 -0.426 8.078 1.00 0.00 H new ATOM 0 HH TYR A 29 8.750 0.190 6.197 1.00 0.00 H new ATOM 468 N PHE A 30 1.351 -0.370 6.046 1.00 0.00 N ATOM 469 CA PHE A 30 1.057 0.301 4.787 1.00 0.00 C ATOM 470 C PHE A 30 0.212 1.541 5.045 1.00 0.00 C ATOM 471 O PHE A 30 0.453 2.603 4.471 1.00 0.00 O ATOM 472 CB PHE A 30 0.331 -0.647 3.823 1.00 0.00 C ATOM 473 CG PHE A 30 1.258 -1.503 2.989 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.460 -0.991 2.520 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.927 -2.818 2.672 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.312 -1.769 1.756 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.778 -3.595 1.908 1.00 0.00 C ATOM 478 CZ PHE A 30 2.971 -3.070 1.451 1.00 0.00 C ATOM 0 H PHE A 30 1.005 -1.327 6.107 1.00 0.00 H new ATOM 0 HA PHE A 30 1.998 0.601 4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.329 -1.297 4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.301 -0.059 3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.734 0.027 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.004 -3.235 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.244 -1.357 1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.510 -4.613 1.668 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.636 -3.678 0.855 1.00 0.00 H new ATOM 488 N LYS A 31 -0.775 1.400 5.924 1.00 0.00 N ATOM 489 CA LYS A 31 -1.651 2.511 6.273 1.00 0.00 C ATOM 490 C LYS A 31 -0.847 3.694 6.814 1.00 0.00 C ATOM 491 O LYS A 31 -1.227 4.850 6.623 1.00 0.00 O ATOM 492 CB LYS A 31 -2.685 2.063 7.308 1.00 0.00 C ATOM 493 CG LYS A 31 -4.027 2.761 7.171 1.00 0.00 C ATOM 494 CD LYS A 31 -4.945 2.444 8.342 1.00 0.00 C ATOM 495 CE LYS A 31 -6.351 2.102 7.872 1.00 0.00 C ATOM 496 NZ LYS A 31 -7.132 3.321 7.526 1.00 0.00 N ATOM 0 H LYS A 31 -0.988 0.527 6.407 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.167 2.833 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.834 0.987 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.290 2.247 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.873 3.838 7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.504 2.454 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.537 1.608 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.984 3.299 9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.294 1.448 7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.870 1.548 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.084 3.045 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.208 3.933 8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.650 3.837 6.762 1.00 0.00 H new ATOM 510 N LEU A 32 0.261 3.403 7.495 1.00 0.00 N ATOM 511 CA LEU A 32 1.106 4.444 8.063 1.00 0.00 C ATOM 512 C LEU A 32 1.861 5.200 6.971 1.00 0.00 C ATOM 513 O LEU A 32 2.024 6.419 7.049 1.00 0.00 O ATOM 514 CB LEU A 32 2.094 3.832 9.061 1.00 0.00 C ATOM 515 CG LEU A 32 1.482 3.307 10.370 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.146 3.974 11.560 1.00 0.00 C ATOM 517 CD2 LEU A 32 -0.027 3.532 10.418 1.00 0.00 C ATOM 0 H LEU A 32 0.592 2.453 7.665 1.00 0.00 H new ATOM 0 HA LEU A 32 0.465 5.155 8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.615 3.010 8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.844 4.583 9.308 1.00 0.00 H new ATOM 0 HG LEU A 32 1.659 2.232 10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.705 3.595 12.482 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.214 3.755 11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.997 5.052 11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.422 3.148 11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.238 4.599 10.345 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.499 3.010 9.586 1.00 0.00 H new ATOM 529 N ILE A 33 2.316 4.477 5.951 1.00 0.00 N ATOM 530 CA ILE A 33 3.050 5.092 4.850 1.00 0.00 C ATOM 531 C ILE A 33 2.090 5.714 3.841 1.00 0.00 C ATOM 532 O ILE A 33 2.380 6.756 3.253 1.00 0.00 O ATOM 533 CB ILE A 33 3.958 4.072 4.133 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.825 4.773 3.084 1.00 0.00 C ATOM 535 CG2 ILE A 33 3.128 2.972 3.493 1.00 0.00 C ATOM 536 CD1 ILE A 33 6.169 5.226 3.614 1.00 0.00 C ATOM 0 H ILE A 33 2.190 3.469 5.864 1.00 0.00 H new ATOM 0 HA ILE A 33 3.678 5.872 5.280 1.00 0.00 H new ATOM 0 HB ILE A 33 4.615 3.616 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.984 4.096 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.286 5.638 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.788 2.263 2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.555 2.454 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.445 3.409 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.729 5.714 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.019 5.928 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.728 4.362 3.974 1.00 0.00 H new ATOM 548 N ALA A 34 0.943 5.069 3.650 1.00 0.00 N ATOM 549 CA ALA A 34 -0.060 5.563 2.719 1.00 0.00 C ATOM 550 C ALA A 34 -0.604 6.911 3.175 1.00 0.00 C ATOM 551 O ALA A 34 -0.435 7.922 2.495 1.00 0.00 O ATOM 552 CB ALA A 34 -1.191 4.555 2.578 1.00 0.00 C ATOM 0 H ALA A 34 0.687 4.205 4.128 1.00 0.00 H new ATOM 0 HA ALA A 34 0.412 5.698 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.934 4.938 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.793 3.611 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.657 4.393 3.550 1.00 0.00 H new ATOM 558 N ASN A 35 -1.259 6.918 4.331 1.00 0.00 N ATOM 559 CA ASN A 35 -1.829 8.142 4.882 1.00 0.00 C ATOM 560 C ASN A 35 -0.755 9.210 5.092 1.00 0.00 C ATOM 561 O ASN A 35 -1.003 10.398 4.885 1.00 0.00 O ATOM 562 CB ASN A 35 -2.537 7.846 6.207 1.00 0.00 C ATOM 563 CG ASN A 35 -4.032 7.640 6.036 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.823 8.038 6.890 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.428 7.014 4.929 1.00 0.00 N ATOM 0 H ASN A 35 -1.408 6.088 4.905 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.554 8.526 4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.100 6.955 6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.364 8.670 6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.421 6.848 4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.738 6.700 4.246 1.00 0.00 H new ATOM 572 N ALA A 36 0.436 8.785 5.508 1.00 0.00 N ATOM 573 CA ALA A 36 1.534 9.713 5.748 1.00 0.00 C ATOM 574 C ALA A 36 2.100 10.265 4.442 1.00 0.00 C ATOM 575 O ALA A 36 2.728 11.324 4.427 1.00 0.00 O ATOM 576 CB ALA A 36 2.632 9.033 6.551 1.00 0.00 C ATOM 0 H ALA A 36 0.663 7.806 5.685 1.00 0.00 H new ATOM 0 HA ALA A 36 1.139 10.553 6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.446 9.737 6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.230 8.701 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.008 8.172 5.998 1.00 0.00 H new ATOM 582 N LYS A 37 1.880 9.543 3.346 1.00 0.00 N ATOM 583 CA LYS A 37 2.377 9.968 2.042 1.00 0.00 C ATOM 584 C LYS A 37 1.273 10.626 1.217 1.00 0.00 C ATOM 585 O LYS A 37 1.541 11.484 0.379 1.00 0.00 O ATOM 586 CB LYS A 37 2.954 8.774 1.280 1.00 0.00 C ATOM 587 CG LYS A 37 4.254 8.249 1.868 1.00 0.00 C ATOM 588 CD LYS A 37 5.405 9.214 1.627 1.00 0.00 C ATOM 589 CE LYS A 37 5.920 9.126 0.198 1.00 0.00 C ATOM 590 NZ LYS A 37 6.126 7.716 -0.233 1.00 0.00 N ATOM 0 H LYS A 37 1.363 8.664 3.336 1.00 0.00 H new ATOM 0 HA LYS A 37 3.164 10.703 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.218 7.970 1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.124 9.063 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.131 8.088 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.490 7.281 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.076 10.232 1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.216 8.994 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.211 9.611 -0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.860 9.671 0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.941 7.665 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.306 7.121 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.275 7.375 -0.724 1.00 0.00 H new ATOM 604 N THR A 38 0.032 10.217 1.461 1.00 0.00 N ATOM 605 CA THR A 38 -1.108 10.769 0.739 1.00 0.00 C ATOM 606 C THR A 38 -2.352 10.799 1.624 1.00 0.00 C ATOM 607 O THR A 38 -2.313 10.376 2.778 1.00 0.00 O ATOM 608 CB THR A 38 -1.386 9.948 -0.522 1.00 0.00 C ATOM 609 OG1 THR A 38 -1.034 8.590 -0.322 1.00 0.00 O ATOM 610 CG2 THR A 38 -0.632 10.443 -1.736 1.00 0.00 C ATOM 0 H THR A 38 -0.209 9.507 2.152 1.00 0.00 H new ATOM 0 HA THR A 38 -0.863 11.792 0.453 1.00 0.00 H new ATOM 0 HB THR A 38 -2.454 10.057 -0.709 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.220 8.080 -1.138 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.874 9.817 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.917 11.474 -1.946 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.440 10.395 -1.543 1.00 0.00 H new ATOM 618 N VAL A 39 -3.452 11.301 1.073 1.00 0.00 N ATOM 619 CA VAL A 39 -4.706 11.388 1.814 1.00 0.00 C ATOM 620 C VAL A 39 -5.906 11.251 0.881 1.00 0.00 C ATOM 621 O VAL A 39 -6.923 11.921 1.059 1.00 0.00 O ATOM 622 CB VAL A 39 -4.813 12.718 2.582 1.00 0.00 C ATOM 623 CG1 VAL A 39 -6.008 12.698 3.523 1.00 0.00 C ATOM 624 CG2 VAL A 39 -3.529 12.995 3.348 1.00 0.00 C ATOM 0 H VAL A 39 -3.501 11.654 0.117 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.710 10.565 2.529 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.961 13.522 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.067 13.647 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.922 12.548 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.893 11.885 4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.622 13.939 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.349 12.189 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.694 13.056 2.649 1.00 0.00 H new ATOM 634 N GLU A 40 -5.780 10.380 -0.113 1.00 0.00 N ATOM 635 CA GLU A 40 -6.855 10.155 -1.073 1.00 0.00 C ATOM 636 C GLU A 40 -6.486 9.046 -2.054 1.00 0.00 C ATOM 637 O GLU A 40 -5.373 9.011 -2.576 1.00 0.00 O ATOM 638 CB GLU A 40 -7.160 11.438 -1.838 1.00 0.00 C ATOM 639 CG GLU A 40 -8.622 11.584 -2.232 1.00 0.00 C ATOM 640 CD GLU A 40 -9.152 12.982 -2.008 1.00 0.00 C ATOM 641 OE1 GLU A 40 -9.627 13.272 -0.891 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.090 13.795 -2.954 1.00 0.00 O ATOM 0 H GLU A 40 -4.945 9.818 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.742 9.849 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.871 12.292 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.546 11.468 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.738 11.320 -3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.221 10.877 -1.658 1.00 0.00 H new ATOM 649 N GLY A 41 -7.429 8.143 -2.298 1.00 0.00 N ATOM 650 CA GLY A 41 -7.179 7.045 -3.216 1.00 0.00 C ATOM 651 C GLY A 41 -8.188 5.923 -3.070 1.00 0.00 C ATOM 652 O GLY A 41 -8.968 5.898 -2.118 1.00 0.00 O ATOM 0 H GLY A 41 -8.359 8.150 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.203 7.419 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.177 6.653 -3.043 1.00 0.00 H new ATOM 656 N VAL A 42 -8.163 4.984 -4.011 1.00 0.00 N ATOM 657 CA VAL A 42 -9.071 3.846 -3.980 1.00 0.00 C ATOM 658 C VAL A 42 -8.343 2.602 -3.503 1.00 0.00 C ATOM 659 O VAL A 42 -7.494 2.050 -4.205 1.00 0.00 O ATOM 660 CB VAL A 42 -9.713 3.576 -5.357 1.00 0.00 C ATOM 661 CG1 VAL A 42 -10.628 4.725 -5.751 1.00 0.00 C ATOM 662 CG2 VAL A 42 -8.649 3.346 -6.420 1.00 0.00 C ATOM 0 H VAL A 42 -7.522 4.990 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.871 4.094 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.311 2.668 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.073 4.519 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.417 4.833 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.051 5.648 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.129 3.158 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.015 4.229 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.039 2.485 -6.144 1.00 0.00 H new ATOM 672 N TRP A 43 -8.674 2.183 -2.292 1.00 0.00 N ATOM 673 CA TRP A 43 -8.074 1.028 -1.671 1.00 0.00 C ATOM 674 C TRP A 43 -8.530 -0.266 -2.340 1.00 0.00 C ATOM 675 O TRP A 43 -9.726 -0.521 -2.476 1.00 0.00 O ATOM 676 CB TRP A 43 -8.471 1.032 -0.199 1.00 0.00 C ATOM 677 CG TRP A 43 -7.475 1.723 0.695 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.363 3.074 0.891 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.454 1.117 1.511 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.348 3.342 1.771 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.776 2.165 2.166 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.048 -0.205 1.754 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.720 1.941 3.042 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -4.978 -0.424 2.642 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.338 0.651 3.269 1.00 0.00 C ATOM 0 H TRP A 43 -9.375 2.645 -1.712 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.990 1.077 -1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.440 1.520 -0.094 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.595 0.003 0.138 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.985 3.820 0.420 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.064 4.271 2.082 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.545 -1.034 1.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.217 2.764 3.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.647 -1.433 2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.522 0.455 3.949 1.00 0.00 H new ATOM 696 N THR A 44 -7.566 -1.082 -2.748 1.00 0.00 N ATOM 697 CA THR A 44 -7.856 -2.358 -3.394 1.00 0.00 C ATOM 698 C THR A 44 -6.782 -3.379 -3.047 1.00 0.00 C ATOM 699 O THR A 44 -5.621 -3.021 -2.865 1.00 0.00 O ATOM 700 CB THR A 44 -7.938 -2.179 -4.913 1.00 0.00 C ATOM 701 OG1 THR A 44 -6.814 -1.464 -5.395 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.179 -1.440 -5.362 1.00 0.00 C ATOM 0 H THR A 44 -6.571 -0.882 -2.643 1.00 0.00 H new ATOM 0 HA THR A 44 -8.818 -2.720 -3.031 1.00 0.00 H new ATOM 0 HB THR A 44 -7.969 -3.189 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.884 -1.361 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.174 -1.348 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.065 -1.992 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.193 -0.447 -4.913 1.00 0.00 H new ATOM 710 N TYR A 45 -7.165 -4.647 -2.950 1.00 0.00 N ATOM 711 CA TYR A 45 -6.210 -5.704 -2.617 1.00 0.00 C ATOM 712 C TYR A 45 -6.511 -6.992 -3.378 1.00 0.00 C ATOM 713 O TYR A 45 -7.666 -7.396 -3.513 1.00 0.00 O ATOM 714 CB TYR A 45 -6.200 -5.971 -1.101 1.00 0.00 C ATOM 715 CG TYR A 45 -5.613 -7.311 -0.712 1.00 0.00 C ATOM 716 CD1 TYR A 45 -4.244 -7.469 -0.538 1.00 0.00 C ATOM 717 CD2 TYR A 45 -6.430 -8.418 -0.523 1.00 0.00 C ATOM 718 CE1 TYR A 45 -3.706 -8.692 -0.183 1.00 0.00 C ATOM 719 CE2 TYR A 45 -5.900 -9.644 -0.168 1.00 0.00 C ATOM 720 CZ TYR A 45 -4.537 -9.775 0.000 1.00 0.00 C ATOM 721 OH TYR A 45 -4.005 -10.995 0.355 1.00 0.00 O ATOM 0 H TYR A 45 -8.122 -4.969 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.222 -5.358 -2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.633 -5.181 -0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.222 -5.912 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.589 -6.622 -0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.497 -8.319 -0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.639 -8.798 -0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.549 -10.495 -0.023 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.730 -11.618 0.569 1.00 0.00 H new ATOM 731 N LYS A 46 -5.452 -7.635 -3.857 1.00 0.00 N ATOM 732 CA LYS A 46 -5.575 -8.887 -4.592 1.00 0.00 C ATOM 733 C LYS A 46 -4.797 -9.992 -3.883 1.00 0.00 C ATOM 734 O LYS A 46 -3.603 -9.848 -3.614 1.00 0.00 O ATOM 735 CB LYS A 46 -5.069 -8.720 -6.026 1.00 0.00 C ATOM 736 CG LYS A 46 -5.728 -9.669 -7.016 1.00 0.00 C ATOM 737 CD LYS A 46 -4.762 -10.086 -8.103 1.00 0.00 C ATOM 738 CE LYS A 46 -4.793 -9.124 -9.283 1.00 0.00 C ATOM 739 NZ LYS A 46 -4.753 -9.838 -10.587 1.00 0.00 N ATOM 0 H LYS A 46 -4.493 -7.306 -3.748 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.628 -9.165 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.244 -7.693 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.991 -8.880 -6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.091 -10.552 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.596 -9.186 -7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.752 -10.129 -7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.011 -11.090 -8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.696 -8.516 -9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.945 -8.442 -9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.776 -9.146 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.879 -10.399 -10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.576 -10.470 -10.662 1.00 0.00 H new ATOM 753 N ASP A 47 -5.480 -11.089 -3.573 1.00 0.00 N ATOM 754 CA ASP A 47 -4.855 -12.214 -2.884 1.00 0.00 C ATOM 755 C ASP A 47 -3.911 -12.980 -3.809 1.00 0.00 C ATOM 756 O ASP A 47 -2.980 -13.640 -3.348 1.00 0.00 O ATOM 757 CB ASP A 47 -5.924 -13.158 -2.332 1.00 0.00 C ATOM 758 CG ASP A 47 -5.587 -13.663 -0.943 1.00 0.00 C ATOM 759 OD1 ASP A 47 -4.663 -14.494 -0.821 1.00 0.00 O ATOM 760 OD2 ASP A 47 -6.250 -13.229 0.023 1.00 0.00 O ATOM 0 H ASP A 47 -6.468 -11.224 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.268 -11.813 -2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.883 -12.640 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.039 -14.007 -3.006 1.00 0.00 H new ATOM 765 N GLU A 48 -4.159 -12.896 -5.113 1.00 0.00 N ATOM 766 CA GLU A 48 -3.317 -13.599 -6.087 1.00 0.00 C ATOM 767 C GLU A 48 -1.841 -13.262 -5.882 1.00 0.00 C ATOM 768 O GLU A 48 -0.969 -14.104 -6.090 1.00 0.00 O ATOM 769 CB GLU A 48 -3.714 -13.282 -7.543 1.00 0.00 C ATOM 770 CG GLU A 48 -2.866 -14.021 -8.573 1.00 0.00 C ATOM 771 CD GLU A 48 -3.045 -15.524 -8.505 1.00 0.00 C ATOM 772 OE1 GLU A 48 -4.196 -15.992 -8.638 1.00 0.00 O ATOM 773 OE2 GLU A 48 -2.035 -16.233 -8.317 1.00 0.00 O ATOM 0 H GLU A 48 -4.924 -12.357 -5.520 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.475 -14.664 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.762 -13.542 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.625 -12.209 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.129 -13.672 -9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.815 -13.776 -8.416 1.00 0.00 H new ATOM 780 N ILE A 49 -1.566 -12.028 -5.482 1.00 0.00 N ATOM 781 CA ILE A 49 -0.191 -11.588 -5.257 1.00 0.00 C ATOM 782 C ILE A 49 -0.016 -10.937 -3.885 1.00 0.00 C ATOM 783 O ILE A 49 1.080 -10.495 -3.541 1.00 0.00 O ATOM 784 CB ILE A 49 0.262 -10.593 -6.342 1.00 0.00 C ATOM 785 CG1 ILE A 49 -0.071 -11.132 -7.729 1.00 0.00 C ATOM 786 CG2 ILE A 49 1.751 -10.315 -6.217 1.00 0.00 C ATOM 787 CD1 ILE A 49 -0.034 -10.074 -8.812 1.00 0.00 C ATOM 0 H ILE A 49 -2.273 -11.314 -5.306 1.00 0.00 H new ATOM 0 HA ILE A 49 0.428 -12.484 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.275 -9.655 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.634 -11.924 -7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.063 -11.583 -7.706 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.056 -9.610 -6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.961 -9.890 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.306 -11.246 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.281 -10.527 -9.772 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.759 -9.293 -8.583 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.964 -9.639 -8.862 1.00 0.00 H new ATOM 799 N LYS A 50 -1.092 -10.877 -3.103 1.00 0.00 N ATOM 800 CA LYS A 50 -1.036 -10.275 -1.773 1.00 0.00 C ATOM 801 C LYS A 50 -0.485 -8.852 -1.842 1.00 0.00 C ATOM 802 O LYS A 50 0.626 -8.578 -1.383 1.00 0.00 O ATOM 803 CB LYS A 50 -0.176 -11.133 -0.840 1.00 0.00 C ATOM 804 CG LYS A 50 -0.988 -11.947 0.156 1.00 0.00 C ATOM 805 CD LYS A 50 -0.533 -13.399 0.198 1.00 0.00 C ATOM 806 CE LYS A 50 -1.503 -14.310 -0.538 1.00 0.00 C ATOM 807 NZ LYS A 50 -1.836 -15.524 0.257 1.00 0.00 N ATOM 0 H LYS A 50 -2.010 -11.236 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.050 -10.228 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.433 -11.810 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.511 -10.486 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.894 -11.507 1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.043 -11.904 -0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.457 -13.484 -0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.444 -13.723 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.417 -13.761 -0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.068 -14.609 -1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.499 -16.119 -0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.967 -16.062 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.275 -15.240 1.156 1.00 0.00 H new ATOM 821 N THR A 51 -1.265 -7.947 -2.423 1.00 0.00 N ATOM 822 CA THR A 51 -0.844 -6.556 -2.550 1.00 0.00 C ATOM 823 C THR A 51 -2.040 -5.614 -2.599 1.00 0.00 C ATOM 824 O THR A 51 -3.071 -5.927 -3.195 1.00 0.00 O ATOM 825 CB THR A 51 0.014 -6.369 -3.804 1.00 0.00 C ATOM 826 OG1 THR A 51 -0.803 -6.246 -4.956 1.00 0.00 O ATOM 827 CG2 THR A 51 0.982 -7.507 -4.051 1.00 0.00 C ATOM 0 H THR A 51 -2.186 -8.149 -2.811 1.00 0.00 H new ATOM 0 HA THR A 51 -0.252 -6.310 -1.668 1.00 0.00 H new ATOM 0 HB THR A 51 0.588 -5.460 -3.623 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.237 -6.126 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.556 -7.306 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.661 -7.598 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.427 -8.437 -4.173 1.00 0.00 H new ATOM 835 N PHE A 52 -1.887 -4.455 -1.968 1.00 0.00 N ATOM 836 CA PHE A 52 -2.944 -3.453 -1.936 1.00 0.00 C ATOM 837 C PHE A 52 -2.606 -2.287 -2.859 1.00 0.00 C ATOM 838 O PHE A 52 -1.458 -2.117 -3.258 1.00 0.00 O ATOM 839 CB PHE A 52 -3.161 -2.938 -0.508 1.00 0.00 C ATOM 840 CG PHE A 52 -2.991 -3.990 0.555 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.730 -4.453 0.895 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.093 -4.514 1.210 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.572 -5.420 1.871 1.00 0.00 C ATOM 844 CE2 PHE A 52 -3.941 -5.480 2.186 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.679 -5.933 2.517 1.00 0.00 C ATOM 0 H PHE A 52 -1.038 -4.186 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.864 -3.924 -2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.461 -2.125 -0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.164 -2.519 -0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.861 -4.054 0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.082 -4.164 0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.584 -5.773 2.127 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.808 -5.881 2.690 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.558 -6.688 3.280 1.00 0.00 H new ATOM 855 N THR A 53 -3.608 -1.485 -3.198 1.00 0.00 N ATOM 856 CA THR A 53 -3.393 -0.340 -4.073 1.00 0.00 C ATOM 857 C THR A 53 -4.318 0.816 -3.702 1.00 0.00 C ATOM 858 O THR A 53 -5.443 0.603 -3.251 1.00 0.00 O ATOM 859 CB THR A 53 -3.605 -0.741 -5.540 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.665 -1.726 -5.928 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.493 0.415 -6.523 1.00 0.00 C ATOM 0 H THR A 53 -4.571 -1.605 -2.883 1.00 0.00 H new ATOM 0 HA THR A 53 -2.364 -0.006 -3.944 1.00 0.00 H new ATOM 0 HB THR A 53 -4.626 -1.120 -5.581 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.816 -1.971 -6.865 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.655 0.048 -7.536 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.244 1.169 -6.285 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.499 0.858 -6.452 1.00 0.00 H new ATOM 869 N VAL A 54 -3.839 2.036 -3.910 1.00 0.00 N ATOM 870 CA VAL A 54 -4.622 3.231 -3.613 1.00 0.00 C ATOM 871 C VAL A 54 -4.505 4.244 -4.755 1.00 0.00 C ATOM 872 O VAL A 54 -3.492 4.931 -4.899 1.00 0.00 O ATOM 873 CB VAL A 54 -4.210 3.862 -2.253 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.151 4.950 -2.405 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.435 4.408 -1.540 1.00 0.00 C ATOM 0 H VAL A 54 -2.909 2.225 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.667 2.935 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.762 3.070 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.902 5.355 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.256 4.526 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.537 5.748 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.136 4.848 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.907 5.170 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.142 3.598 -1.359 1.00 0.00 H new ATOM 885 N THR A 55 -5.540 4.310 -5.584 1.00 0.00 N ATOM 886 CA THR A 55 -5.545 5.223 -6.725 1.00 0.00 C ATOM 887 C THR A 55 -6.422 6.445 -6.461 1.00 0.00 C ATOM 888 O THR A 55 -7.601 6.318 -6.132 1.00 0.00 O ATOM 889 CB THR A 55 -6.033 4.498 -7.980 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.862 3.098 -7.850 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.314 4.933 -9.240 1.00 0.00 C ATOM 0 H THR A 55 -6.384 3.745 -5.490 1.00 0.00 H new ATOM 0 HA THR A 55 -4.522 5.566 -6.878 1.00 0.00 H new ATOM 0 HB THR A 55 -7.087 4.760 -8.073 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.182 2.653 -8.662 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.708 4.380 -10.093 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.468 6.001 -9.397 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.248 4.732 -9.138 1.00 0.00 H new ATOM 899 N GLU A 56 -5.838 7.631 -6.613 1.00 0.00 N ATOM 900 CA GLU A 56 -6.568 8.876 -6.395 1.00 0.00 C ATOM 901 C GLU A 56 -7.086 9.435 -7.715 1.00 0.00 C ATOM 902 O GLU A 56 -7.919 10.362 -7.673 1.00 0.00 O ATOM 903 CB GLU A 56 -5.669 9.904 -5.704 1.00 0.00 C ATOM 904 CG GLU A 56 -6.335 11.251 -5.497 1.00 0.00 C ATOM 905 CD GLU A 56 -6.125 12.192 -6.675 1.00 0.00 C ATOM 906 OE1 GLU A 56 -5.000 12.221 -7.219 1.00 0.00 O ATOM 907 OE2 GLU A 56 -7.086 12.892 -7.050 1.00 0.00 O ATOM 908 OXT GLU A 56 -6.657 8.936 -8.775 1.00 0.00 O ATOM 0 H GLU A 56 -4.863 7.756 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.422 8.664 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.357 9.510 -4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.766 10.042 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.403 11.104 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.940 11.713 -4.592 1.00 0.00 H new TER 915 GLU A 56