USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 742 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 69 TYR OH : rot 101:sc= 0.793 USER MOD Set 1.2: A 72 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 73 HIS :FLIP no HE2:sc= 0.369 F(o=-1.3,f=1.2) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= -0.925 USER MOD Set 3.1: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 37 LYS NZ :NH3+ -129:sc= 1.01 (180deg=-1.58) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 9 ASN : amide:sc= -1.04! C(o=-1!,f=-5.7!) USER MOD Single : A 14 HIS : no HD1:sc= -0.618 X(o=-0.62,f=-0.73) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 24 HIS : no HD1:sc= -0.0175 X(o=-0.018,f=-0.2) USER MOD Single : A 26 MET CE :methyl -139:sc= -0.256 (180deg=-1.45!) USER MOD Single : A 31 LYS NZ :NH3+ -153:sc= -0.145 (180deg=-0.776) USER MOD Single : A 32 LYS NZ :NH3+ 136:sc= 1.29 (180deg=0.321) USER MOD Single : A 38 GLN : amide:sc= -0.142 K(o=-0.14,f=-1) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 130:sc=0.000285 USER MOD Single : A 53 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.3) USER MOD Single : A 54 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.0029) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.05) USER MOD Single : A 74 SER OG : rot -58:sc= 0.364 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.199 USER MOD Single : A 86 LYS NZ :NH3+ -150:sc= -0.0591 (180deg=-1.15) USER MOD Single : A 88 MET CE :methyl -161:sc= -0.0336 (180deg=-0.339) USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= -0.0901 (180deg=-1.04) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.062 4.462 -22.756 1.00 0.00 N ATOM 2 CA GLY A 1 -3.983 5.503 -23.764 1.00 0.00 C ATOM 3 C GLY A 1 -4.891 6.677 -23.456 1.00 0.00 C ATOM 4 O GLY A 1 -5.602 7.166 -24.334 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.423 3.682 -23.012 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.782 4.851 -21.833 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.038 4.106 -22.700 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.954 5.854 -23.840 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.250 5.086 -24.735 1.00 0.00 H new ATOM 8 N SER A 2 -4.868 7.130 -22.207 1.00 0.00 N ATOM 9 CA SER A 2 -5.700 8.250 -21.785 1.00 0.00 C ATOM 10 C SER A 2 -4.863 9.515 -21.617 1.00 0.00 C ATOM 11 O SER A 2 -3.824 9.502 -20.957 1.00 0.00 O ATOM 12 CB SER A 2 -6.411 7.919 -20.471 1.00 0.00 C ATOM 13 OG SER A 2 -7.516 8.780 -20.258 1.00 0.00 O ATOM 0 H SER A 2 -4.282 6.738 -21.470 1.00 0.00 H new ATOM 0 HA SER A 2 -6.446 8.428 -22.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.751 6.884 -20.489 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.710 8.010 -19.641 1.00 0.00 H new ATOM 0 HG SER A 2 -7.954 8.547 -19.413 1.00 0.00 H new ATOM 19 N SER A 3 -5.324 10.606 -22.221 1.00 0.00 N ATOM 20 CA SER A 3 -4.617 11.879 -22.143 1.00 0.00 C ATOM 21 C SER A 3 -3.998 12.073 -20.762 1.00 0.00 C ATOM 22 O SER A 3 -2.866 12.537 -20.636 1.00 0.00 O ATOM 23 CB SER A 3 -5.569 13.035 -22.455 1.00 0.00 C ATOM 24 OG SER A 3 -5.999 12.991 -23.805 1.00 0.00 O ATOM 0 H SER A 3 -6.184 10.634 -22.769 1.00 0.00 H new ATOM 0 HA SER A 3 -3.816 11.868 -22.882 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.434 12.987 -21.793 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.070 13.984 -22.260 1.00 0.00 H new ATOM 0 HG SER A 3 -6.608 13.739 -23.979 1.00 0.00 H new ATOM 30 N GLY A 4 -4.752 11.714 -19.727 1.00 0.00 N ATOM 31 CA GLY A 4 -4.262 11.856 -18.368 1.00 0.00 C ATOM 32 C GLY A 4 -4.061 10.520 -17.682 1.00 0.00 C ATOM 33 O GLY A 4 -4.912 10.075 -16.912 1.00 0.00 O ATOM 0 H GLY A 4 -5.693 11.328 -19.805 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.318 12.400 -18.381 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.967 12.455 -17.791 1.00 0.00 H new ATOM 37 N SER A 5 -2.931 9.877 -17.962 1.00 0.00 N ATOM 38 CA SER A 5 -2.623 8.580 -17.370 1.00 0.00 C ATOM 39 C SER A 5 -1.258 8.605 -16.690 1.00 0.00 C ATOM 40 O SER A 5 -0.256 8.983 -17.297 1.00 0.00 O ATOM 41 CB SER A 5 -2.653 7.488 -18.441 1.00 0.00 C ATOM 42 OG SER A 5 -2.183 6.255 -17.924 1.00 0.00 O ATOM 0 H SER A 5 -2.214 10.233 -18.595 1.00 0.00 H new ATOM 0 HA SER A 5 -3.380 8.361 -16.617 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.670 7.366 -18.813 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.038 7.789 -19.289 1.00 0.00 H new ATOM 0 HG SER A 5 -2.213 5.573 -18.627 1.00 0.00 H new ATOM 48 N SER A 6 -1.227 8.199 -15.425 1.00 0.00 N ATOM 49 CA SER A 6 0.014 8.177 -14.659 1.00 0.00 C ATOM 50 C SER A 6 -0.084 7.198 -13.493 1.00 0.00 C ATOM 51 O SER A 6 -1.177 6.862 -13.040 1.00 0.00 O ATOM 52 CB SER A 6 0.341 9.578 -14.137 1.00 0.00 C ATOM 53 OG SER A 6 -0.593 9.985 -13.152 1.00 0.00 O ATOM 0 H SER A 6 -2.047 7.881 -14.909 1.00 0.00 H new ATOM 0 HA SER A 6 0.815 7.847 -15.321 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.346 9.587 -13.716 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.335 10.288 -14.964 1.00 0.00 H new ATOM 0 HG SER A 6 -0.362 10.882 -12.833 1.00 0.00 H new ATOM 59 N GLY A 7 1.069 6.743 -13.012 1.00 0.00 N ATOM 60 CA GLY A 7 1.092 5.806 -11.904 1.00 0.00 C ATOM 61 C GLY A 7 0.507 6.394 -10.636 1.00 0.00 C ATOM 62 O GLY A 7 0.676 7.581 -10.359 1.00 0.00 O ATOM 0 H GLY A 7 1.987 7.006 -13.370 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.533 4.911 -12.177 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.120 5.495 -11.716 1.00 0.00 H new ATOM 66 N GLN A 8 -0.185 5.562 -9.864 1.00 0.00 N ATOM 67 CA GLN A 8 -0.800 6.008 -8.619 1.00 0.00 C ATOM 68 C GLN A 8 0.086 5.674 -7.424 1.00 0.00 C ATOM 69 O GLN A 8 0.316 4.505 -7.118 1.00 0.00 O ATOM 70 CB GLN A 8 -2.176 5.363 -8.446 1.00 0.00 C ATOM 71 CG GLN A 8 -3.279 6.063 -9.224 1.00 0.00 C ATOM 72 CD GLN A 8 -3.774 7.319 -8.533 1.00 0.00 C ATOM 73 OE1 GLN A 8 -3.142 8.373 -8.609 1.00 0.00 O ATOM 74 NE2 GLN A 8 -4.910 7.213 -7.854 1.00 0.00 N ATOM 0 H GLN A 8 -0.334 4.576 -10.079 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.918 7.090 -8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.123 4.322 -8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.436 5.359 -7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.911 6.320 -10.217 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.114 5.376 -9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.401 6.320 -7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.292 8.025 -7.369 1.00 0.00 H new ATOM 83 N ASN A 9 0.581 6.708 -6.752 1.00 0.00 N ATOM 84 CA ASN A 9 1.443 6.524 -5.591 1.00 0.00 C ATOM 85 C ASN A 9 0.686 5.843 -4.454 1.00 0.00 C ATOM 86 O ASN A 9 1.260 5.069 -3.688 1.00 0.00 O ATOM 87 CB ASN A 9 1.992 7.871 -5.117 1.00 0.00 C ATOM 88 CG ASN A 9 2.278 8.816 -6.269 1.00 0.00 C ATOM 89 OD1 ASN A 9 1.396 9.114 -7.075 1.00 0.00 O ATOM 90 ND2 ASN A 9 3.515 9.291 -6.351 1.00 0.00 N ATOM 0 H ASN A 9 0.400 7.683 -6.992 1.00 0.00 H new ATOM 0 HA ASN A 9 2.275 5.884 -5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.275 8.335 -4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.908 7.708 -4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.767 9.931 -7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.214 9.016 -5.660 1.00 0.00 H new ATOM 97 N VAL A 10 -0.606 6.136 -4.352 1.00 0.00 N ATOM 98 CA VAL A 10 -1.443 5.551 -3.311 1.00 0.00 C ATOM 99 C VAL A 10 -2.120 4.276 -3.802 1.00 0.00 C ATOM 100 O VAL A 10 -2.961 4.312 -4.701 1.00 0.00 O ATOM 101 CB VAL A 10 -2.523 6.542 -2.836 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.420 6.950 -3.995 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.341 5.936 -1.706 1.00 0.00 C ATOM 0 H VAL A 10 -1.096 6.775 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.787 5.312 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.029 7.437 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.177 7.650 -3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.819 7.426 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.908 6.066 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.099 6.649 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.826 5.025 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.685 5.699 -0.868 1.00 0.00 H new ATOM 113 N LEU A 11 -1.748 3.149 -3.205 1.00 0.00 N ATOM 114 CA LEU A 11 -2.319 1.860 -3.580 1.00 0.00 C ATOM 115 C LEU A 11 -3.408 1.440 -2.598 1.00 0.00 C ATOM 116 O LEU A 11 -3.153 1.283 -1.403 1.00 0.00 O ATOM 117 CB LEU A 11 -1.226 0.791 -3.634 1.00 0.00 C ATOM 118 CG LEU A 11 -1.688 -0.653 -3.435 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.445 -1.144 -4.659 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.500 -1.557 -3.142 1.00 0.00 C ATOM 0 H LEU A 11 -1.054 3.102 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.767 1.963 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.725 0.861 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.482 1.022 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.362 -0.684 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.766 -2.173 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.318 -0.513 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.794 -1.098 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.847 -2.581 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.199 -1.521 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.001 -1.218 -2.235 1.00 0.00 H new ATOM 132 N ASP A 12 -4.620 1.257 -3.109 1.00 0.00 N ATOM 133 CA ASP A 12 -5.748 0.852 -2.277 1.00 0.00 C ATOM 134 C ASP A 12 -5.796 -0.666 -2.130 1.00 0.00 C ATOM 135 O ASP A 12 -6.205 -1.377 -3.049 1.00 0.00 O ATOM 136 CB ASP A 12 -7.060 1.361 -2.876 1.00 0.00 C ATOM 137 CG ASP A 12 -7.487 0.565 -4.094 1.00 0.00 C ATOM 138 OD1 ASP A 12 -6.794 0.645 -5.129 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.516 -0.139 -4.010 1.00 0.00 O ATOM 0 H ASP A 12 -4.847 1.383 -4.095 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.615 1.291 -1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.844 1.312 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.948 2.410 -3.152 1.00 0.00 H new ATOM 144 N LEU A 13 -5.376 -1.156 -0.969 1.00 0.00 N ATOM 145 CA LEU A 13 -5.371 -2.590 -0.701 1.00 0.00 C ATOM 146 C LEU A 13 -6.743 -3.061 -0.229 1.00 0.00 C ATOM 147 O LEU A 13 -7.124 -4.211 -0.446 1.00 0.00 O ATOM 148 CB LEU A 13 -4.313 -2.928 0.352 1.00 0.00 C ATOM 149 CG LEU A 13 -2.857 -2.811 -0.099 1.00 0.00 C ATOM 150 CD1 LEU A 13 -1.915 -3.134 1.051 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.590 -3.728 -1.283 1.00 0.00 C ATOM 0 H LEU A 13 -5.035 -0.582 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.130 -3.107 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.461 -2.272 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.485 -3.948 0.697 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.675 -1.783 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.883 -3.046 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.089 -2.436 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.098 -4.152 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.549 -3.631 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.789 -4.760 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.240 -3.450 -2.112 1.00 0.00 H new ATOM 163 N HIS A 14 -7.481 -2.164 0.416 1.00 0.00 N ATOM 164 CA HIS A 14 -8.813 -2.487 0.915 1.00 0.00 C ATOM 165 C HIS A 14 -9.690 -3.049 -0.199 1.00 0.00 C ATOM 166 O HIS A 14 -9.838 -2.436 -1.255 1.00 0.00 O ATOM 167 CB HIS A 14 -9.470 -1.245 1.519 1.00 0.00 C ATOM 168 CG HIS A 14 -10.890 -1.463 1.940 1.00 0.00 C ATOM 169 ND1 HIS A 14 -11.955 -1.376 1.069 1.00 0.00 N ATOM 170 CD2 HIS A 14 -11.418 -1.768 3.149 1.00 0.00 C ATOM 171 CE1 HIS A 14 -13.077 -1.616 1.724 1.00 0.00 C ATOM 172 NE2 HIS A 14 -12.779 -1.858 2.988 1.00 0.00 N ATOM 0 H HIS A 14 -7.180 -1.208 0.606 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.709 -3.247 1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.889 -0.921 2.383 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.436 -0.435 0.790 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.871 -1.913 4.069 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.070 -1.615 1.298 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.450 -2.076 3.724 1.00 0.00 H new ATOM 180 N GLY A 15 -10.269 -4.221 0.044 1.00 0.00 N ATOM 181 CA GLY A 15 -11.123 -4.847 -0.948 1.00 0.00 C ATOM 182 C GLY A 15 -10.558 -6.160 -1.454 1.00 0.00 C ATOM 183 O GLY A 15 -11.305 -7.095 -1.743 1.00 0.00 O ATOM 0 H GLY A 15 -10.162 -4.748 0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.109 -5.021 -0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.259 -4.166 -1.788 1.00 0.00 H new ATOM 187 N LEU A 16 -9.236 -6.230 -1.563 1.00 0.00 N ATOM 188 CA LEU A 16 -8.571 -7.438 -2.039 1.00 0.00 C ATOM 189 C LEU A 16 -8.377 -8.437 -0.903 1.00 0.00 C ATOM 190 O LEU A 16 -8.656 -8.135 0.257 1.00 0.00 O ATOM 191 CB LEU A 16 -7.219 -7.087 -2.662 1.00 0.00 C ATOM 192 CG LEU A 16 -7.254 -6.584 -4.105 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.057 -5.690 -4.389 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.290 -7.754 -5.077 1.00 0.00 C ATOM 0 H LEU A 16 -8.604 -5.465 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.205 -7.898 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.744 -6.325 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.583 -7.971 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.161 -5.995 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.100 -5.342 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.075 -4.833 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.137 -6.254 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.315 -7.377 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.401 -8.370 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.180 -8.355 -4.890 1.00 0.00 H new ATOM 206 N HIS A 17 -7.896 -9.628 -1.245 1.00 0.00 N ATOM 207 CA HIS A 17 -7.661 -10.671 -0.253 1.00 0.00 C ATOM 208 C HIS A 17 -6.261 -10.552 0.341 1.00 0.00 C ATOM 209 O HIS A 17 -5.306 -10.212 -0.358 1.00 0.00 O ATOM 210 CB HIS A 17 -7.845 -12.053 -0.882 1.00 0.00 C ATOM 211 CG HIS A 17 -8.119 -13.134 0.118 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.263 -14.194 0.333 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.159 -13.315 0.964 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.766 -14.980 1.267 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.917 -14.469 1.667 1.00 0.00 N ATOM 0 H HIS A 17 -7.661 -9.895 -2.201 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.388 -10.545 0.549 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.668 -12.012 -1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.948 -12.309 -1.445 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.020 -12.671 1.067 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.314 -15.887 1.641 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.526 -14.867 2.382 1.00 0.00 H new ATOM 223 N VAL A 18 -6.146 -10.832 1.635 1.00 0.00 N ATOM 224 CA VAL A 18 -4.863 -10.756 2.323 1.00 0.00 C ATOM 225 C VAL A 18 -3.720 -11.167 1.401 1.00 0.00 C ATOM 226 O VAL A 18 -2.782 -10.401 1.179 1.00 0.00 O ATOM 227 CB VAL A 18 -4.844 -11.652 3.576 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.415 -11.904 4.031 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.664 -11.022 4.692 1.00 0.00 C ATOM 0 H VAL A 18 -6.926 -11.114 2.228 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.727 -9.718 2.626 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.293 -12.612 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.422 -12.539 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.861 -12.400 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.936 -10.954 4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.640 -11.668 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.245 -10.048 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.695 -10.898 4.361 1.00 0.00 H new ATOM 239 N ASP A 19 -3.806 -12.380 0.867 1.00 0.00 N ATOM 240 CA ASP A 19 -2.779 -12.894 -0.033 1.00 0.00 C ATOM 241 C ASP A 19 -2.551 -11.936 -1.199 1.00 0.00 C ATOM 242 O ASP A 19 -1.411 -11.651 -1.565 1.00 0.00 O ATOM 243 CB ASP A 19 -3.177 -14.273 -0.561 1.00 0.00 C ATOM 244 CG ASP A 19 -2.697 -15.396 0.338 1.00 0.00 C ATOM 245 OD1 ASP A 19 -3.009 -15.364 1.547 1.00 0.00 O ATOM 246 OD2 ASP A 19 -2.011 -16.308 -0.169 1.00 0.00 O ATOM 0 H ASP A 19 -4.576 -13.026 1.041 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.849 -12.983 0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.262 -14.324 -0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.764 -14.410 -1.561 1.00 0.00 H new ATOM 251 N GLU A 20 -3.642 -11.445 -1.778 1.00 0.00 N ATOM 252 CA GLU A 20 -3.559 -10.522 -2.903 1.00 0.00 C ATOM 253 C GLU A 20 -2.861 -9.228 -2.495 1.00 0.00 C ATOM 254 O GLU A 20 -1.808 -8.883 -3.031 1.00 0.00 O ATOM 255 CB GLU A 20 -4.958 -10.212 -3.441 1.00 0.00 C ATOM 256 CG GLU A 20 -5.416 -11.165 -4.532 1.00 0.00 C ATOM 257 CD GLU A 20 -6.921 -11.350 -4.551 1.00 0.00 C ATOM 258 OE1 GLU A 20 -7.462 -11.912 -3.576 1.00 0.00 O ATOM 259 OE2 GLU A 20 -7.557 -10.932 -5.542 1.00 0.00 O ATOM 0 H GLU A 20 -4.593 -11.671 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.973 -10.999 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.671 -10.247 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.971 -9.194 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.088 -10.787 -5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.936 -12.133 -4.388 1.00 0.00 H new ATOM 266 N ALA A 21 -3.456 -8.516 -1.543 1.00 0.00 N ATOM 267 CA ALA A 21 -2.891 -7.262 -1.062 1.00 0.00 C ATOM 268 C ALA A 21 -1.391 -7.391 -0.822 1.00 0.00 C ATOM 269 O ALA A 21 -0.602 -6.578 -1.306 1.00 0.00 O ATOM 270 CB ALA A 21 -3.595 -6.821 0.213 1.00 0.00 C ATOM 0 H ALA A 21 -4.329 -8.787 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.045 -6.505 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.163 -5.883 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.657 -6.679 0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.470 -7.585 0.980 1.00 0.00 H new ATOM 276 N LEU A 22 -1.003 -8.417 -0.072 1.00 0.00 N ATOM 277 CA LEU A 22 0.404 -8.652 0.233 1.00 0.00 C ATOM 278 C LEU A 22 1.241 -8.676 -1.042 1.00 0.00 C ATOM 279 O LEU A 22 2.155 -7.870 -1.211 1.00 0.00 O ATOM 280 CB LEU A 22 0.569 -9.972 0.989 1.00 0.00 C ATOM 281 CG LEU A 22 0.450 -9.892 2.511 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.558 -11.277 3.129 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.516 -8.967 3.082 1.00 0.00 C ATOM 0 H LEU A 22 -1.643 -9.099 0.336 1.00 0.00 H new ATOM 0 HA LEU A 22 0.755 -7.834 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.180 -10.674 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.545 -10.390 0.742 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.529 -9.482 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.471 -11.200 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.242 -11.910 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.522 -11.716 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.416 -8.922 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.504 -9.348 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.392 -7.968 2.665 1.00 0.00 H new ATOM 295 N GLU A 23 0.921 -9.606 -1.937 1.00 0.00 N ATOM 296 CA GLU A 23 1.643 -9.733 -3.197 1.00 0.00 C ATOM 297 C GLU A 23 1.748 -8.384 -3.903 1.00 0.00 C ATOM 298 O GLU A 23 2.817 -8.003 -4.382 1.00 0.00 O ATOM 299 CB GLU A 23 0.946 -10.745 -4.110 1.00 0.00 C ATOM 300 CG GLU A 23 0.971 -12.166 -3.574 1.00 0.00 C ATOM 301 CD GLU A 23 2.375 -12.734 -3.491 1.00 0.00 C ATOM 302 OE1 GLU A 23 3.235 -12.309 -4.289 1.00 0.00 O ATOM 303 OE2 GLU A 23 2.612 -13.604 -2.627 1.00 0.00 O ATOM 0 H GLU A 23 0.167 -10.282 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 23 2.650 -10.087 -2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.090 -10.438 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.423 -10.727 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.516 -12.185 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.363 -12.803 -4.216 1.00 0.00 H new ATOM 310 N HIS A 24 0.632 -7.665 -3.963 1.00 0.00 N ATOM 311 CA HIS A 24 0.598 -6.358 -4.609 1.00 0.00 C ATOM 312 C HIS A 24 1.503 -5.369 -3.882 1.00 0.00 C ATOM 313 O HIS A 24 2.183 -4.556 -4.510 1.00 0.00 O ATOM 314 CB HIS A 24 -0.834 -5.823 -4.650 1.00 0.00 C ATOM 315 CG HIS A 24 -1.629 -6.327 -5.815 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.235 -6.157 -7.125 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.802 -7.001 -5.861 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.131 -6.704 -7.927 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.092 -7.223 -7.185 1.00 0.00 N ATOM 0 H HIS A 24 -0.261 -7.965 -3.572 1.00 0.00 H new ATOM 0 HA HIS A 24 0.963 -6.475 -5.629 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.343 -6.100 -3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.805 -4.734 -4.684 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.399 -7.307 -5.014 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.085 -6.723 -9.006 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.916 -7.710 -7.538 1.00 0.00 H new ATOM 327 N LEU A 25 1.506 -5.442 -2.556 1.00 0.00 N ATOM 328 CA LEU A 25 2.328 -4.552 -1.742 1.00 0.00 C ATOM 329 C LEU A 25 3.802 -4.681 -2.113 1.00 0.00 C ATOM 330 O LEU A 25 4.544 -3.700 -2.098 1.00 0.00 O ATOM 331 CB LEU A 25 2.134 -4.863 -0.257 1.00 0.00 C ATOM 332 CG LEU A 25 3.014 -4.074 0.714 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.321 -2.788 1.136 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.358 -4.921 1.930 1.00 0.00 C ATOM 0 H LEU A 25 0.949 -6.108 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 25 2.012 -3.527 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.090 -4.680 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.318 -5.926 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 25 3.942 -3.813 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.961 -2.239 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.126 -2.174 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.378 -3.027 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.985 -4.344 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.441 -5.213 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.896 -5.814 1.611 1.00 0.00 H new ATOM 346 N MET A 26 4.218 -5.899 -2.446 1.00 0.00 N ATOM 347 CA MET A 26 5.603 -6.155 -2.825 1.00 0.00 C ATOM 348 C MET A 26 5.841 -5.803 -4.290 1.00 0.00 C ATOM 349 O MET A 26 6.819 -5.135 -4.626 1.00 0.00 O ATOM 350 CB MET A 26 5.959 -7.622 -2.576 1.00 0.00 C ATOM 351 CG MET A 26 5.623 -8.100 -1.173 1.00 0.00 C ATOM 352 SD MET A 26 6.083 -9.821 -0.896 1.00 0.00 S ATOM 353 CE MET A 26 4.473 -10.565 -0.645 1.00 0.00 C ATOM 0 H MET A 26 3.617 -6.723 -2.461 1.00 0.00 H new ATOM 0 HA MET A 26 6.244 -5.523 -2.210 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.430 -8.243 -3.299 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.025 -7.764 -2.754 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.136 -7.470 -0.446 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.553 -7.982 -1.000 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.529 -11.289 0.168 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.750 -9.790 -0.392 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.159 -11.070 -1.559 1.00 0.00 H new ATOM 363 N ARG A 27 4.942 -6.257 -5.156 1.00 0.00 N ATOM 364 CA ARG A 27 5.055 -5.991 -6.585 1.00 0.00 C ATOM 365 C ARG A 27 5.156 -4.492 -6.853 1.00 0.00 C ATOM 366 O ARG A 27 5.833 -4.062 -7.786 1.00 0.00 O ATOM 367 CB ARG A 27 3.853 -6.573 -7.331 1.00 0.00 C ATOM 368 CG ARG A 27 3.953 -8.071 -7.572 1.00 0.00 C ATOM 369 CD ARG A 27 4.977 -8.395 -8.648 1.00 0.00 C ATOM 370 NE ARG A 27 4.823 -9.754 -9.158 1.00 0.00 N ATOM 371 CZ ARG A 27 5.800 -10.432 -9.751 1.00 0.00 C ATOM 372 NH1 ARG A 27 6.995 -9.879 -9.907 1.00 0.00 N ATOM 373 NH2 ARG A 27 5.582 -11.665 -10.190 1.00 0.00 N ATOM 0 H ARG A 27 4.127 -6.811 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 27 5.965 -6.470 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.947 -6.365 -6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.751 -6.065 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.228 -8.572 -6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.978 -8.459 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.876 -7.686 -9.470 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.981 -8.272 -8.242 1.00 0.00 H new ATOM 0 HE ARG A 27 3.916 -10.208 -9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.166 -8.931 -9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.743 -10.402 -10.362 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.664 -12.093 -10.072 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.333 -12.185 -10.645 1.00 0.00 H new ATOM 387 N VAL A 28 4.478 -3.702 -6.027 1.00 0.00 N ATOM 388 CA VAL A 28 4.491 -2.251 -6.173 1.00 0.00 C ATOM 389 C VAL A 28 5.674 -1.635 -5.435 1.00 0.00 C ATOM 390 O VAL A 28 6.219 -0.614 -5.856 1.00 0.00 O ATOM 391 CB VAL A 28 3.187 -1.622 -5.647 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.992 -2.128 -6.441 1.00 0.00 C ATOM 393 CG2 VAL A 28 3.016 -1.914 -4.164 1.00 0.00 C ATOM 0 H VAL A 28 3.912 -4.042 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 28 4.582 -2.041 -7.239 1.00 0.00 H new ATOM 0 HB VAL A 28 3.246 -0.541 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.080 -1.673 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.114 -1.862 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.925 -3.212 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.090 -1.462 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.977 -2.992 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.858 -1.497 -3.612 1.00 0.00 H new ATOM 403 N LEU A 29 6.067 -2.262 -4.332 1.00 0.00 N ATOM 404 CA LEU A 29 7.187 -1.776 -3.533 1.00 0.00 C ATOM 405 C LEU A 29 8.484 -1.814 -4.335 1.00 0.00 C ATOM 406 O LEU A 29 9.454 -1.138 -3.995 1.00 0.00 O ATOM 407 CB LEU A 29 7.335 -2.615 -2.263 1.00 0.00 C ATOM 408 CG LEU A 29 6.578 -2.111 -1.034 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.573 -3.167 0.060 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.191 -0.815 -0.524 1.00 0.00 C ATOM 0 H LEU A 29 5.627 -3.108 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 29 6.982 -0.742 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.000 -3.629 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.394 -2.676 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 29 5.546 -1.912 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.030 -2.790 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.087 -4.070 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.599 -3.398 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.639 -0.471 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.232 -0.987 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.141 -0.057 -1.305 1.00 0.00 H new ATOM 422 N GLU A 30 8.492 -2.607 -5.402 1.00 0.00 N ATOM 423 CA GLU A 30 9.669 -2.730 -6.253 1.00 0.00 C ATOM 424 C GLU A 30 9.571 -1.798 -7.457 1.00 0.00 C ATOM 425 O GLU A 30 10.531 -1.109 -7.804 1.00 0.00 O ATOM 426 CB GLU A 30 9.835 -4.176 -6.725 1.00 0.00 C ATOM 427 CG GLU A 30 8.689 -4.668 -7.593 1.00 0.00 C ATOM 428 CD GLU A 30 8.927 -6.063 -8.138 1.00 0.00 C ATOM 429 OE1 GLU A 30 10.030 -6.312 -8.668 1.00 0.00 O ATOM 430 OE2 GLU A 30 8.011 -6.906 -8.034 1.00 0.00 O ATOM 0 H GLU A 30 7.697 -3.173 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 30 10.542 -2.444 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.766 -4.262 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.925 -4.826 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.768 -4.662 -7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.545 -3.977 -8.424 1.00 0.00 H new ATOM 437 N LYS A 31 8.404 -1.783 -8.092 1.00 0.00 N ATOM 438 CA LYS A 31 8.177 -0.937 -9.257 1.00 0.00 C ATOM 439 C LYS A 31 8.032 0.526 -8.848 1.00 0.00 C ATOM 440 O LYS A 31 8.682 1.406 -9.410 1.00 0.00 O ATOM 441 CB LYS A 31 6.925 -1.393 -10.009 1.00 0.00 C ATOM 442 CG LYS A 31 6.844 -0.867 -11.432 1.00 0.00 C ATOM 443 CD LYS A 31 7.551 -1.791 -12.409 1.00 0.00 C ATOM 444 CE LYS A 31 6.913 -1.737 -13.789 1.00 0.00 C ATOM 445 NZ LYS A 31 5.501 -2.207 -13.766 1.00 0.00 N ATOM 0 H LYS A 31 7.600 -2.348 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 31 9.042 -1.029 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.902 -2.483 -10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.042 -1.067 -9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.799 -0.760 -11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.291 0.126 -11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.602 -1.510 -12.482 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.520 -2.813 -12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.949 -0.715 -14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.489 -2.352 -14.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.247 -2.588 -14.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.394 -2.951 -13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.874 -1.410 -13.535 1.00 0.00 H new ATOM 459 N LYS A 32 7.175 0.777 -7.864 1.00 0.00 N ATOM 460 CA LYS A 32 6.946 2.132 -7.376 1.00 0.00 C ATOM 461 C LYS A 32 8.268 2.842 -7.102 1.00 0.00 C ATOM 462 O LYS A 32 8.401 4.043 -7.341 1.00 0.00 O ATOM 463 CB LYS A 32 6.098 2.101 -6.103 1.00 0.00 C ATOM 464 CG LYS A 32 4.702 1.541 -6.315 1.00 0.00 C ATOM 465 CD LYS A 32 3.799 2.544 -7.013 1.00 0.00 C ATOM 466 CE LYS A 32 2.417 1.965 -7.272 1.00 0.00 C ATOM 467 NZ LYS A 32 1.759 2.602 -8.446 1.00 0.00 N ATOM 0 H LYS A 32 6.627 0.060 -7.389 1.00 0.00 H new ATOM 0 HA LYS A 32 6.411 2.684 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.610 1.502 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.018 3.113 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.761 0.629 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.269 1.268 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.710 3.442 -6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.251 2.846 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.499 0.891 -7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.794 2.102 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.314 1.869 -9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.033 3.270 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.470 3.113 -9.008 1.00 0.00 H new ATOM 481 N THR A 33 9.244 2.093 -6.599 1.00 0.00 N ATOM 482 CA THR A 33 10.555 2.651 -6.293 1.00 0.00 C ATOM 483 C THR A 33 11.456 2.647 -7.523 1.00 0.00 C ATOM 484 O THR A 33 12.428 3.397 -7.594 1.00 0.00 O ATOM 485 CB THR A 33 11.248 1.869 -5.161 1.00 0.00 C ATOM 486 OG1 THR A 33 12.381 2.602 -4.682 1.00 0.00 O ATOM 487 CG2 THR A 33 11.693 0.497 -5.645 1.00 0.00 C ATOM 0 H THR A 33 9.151 1.098 -6.395 1.00 0.00 H new ATOM 0 HA THR A 33 10.393 3.679 -5.969 1.00 0.00 H new ATOM 0 HB THR A 33 10.532 1.736 -4.350 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.815 2.099 -3.962 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.180 -0.037 -4.829 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.825 -0.069 -5.982 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.394 0.613 -6.472 1.00 0.00 H new ATOM 495 N GLU A 34 11.125 1.796 -8.490 1.00 0.00 N ATOM 496 CA GLU A 34 11.905 1.695 -9.718 1.00 0.00 C ATOM 497 C GLU A 34 11.828 2.991 -10.520 1.00 0.00 C ATOM 498 O GLU A 34 12.851 3.572 -10.881 1.00 0.00 O ATOM 499 CB GLU A 34 11.408 0.525 -10.569 1.00 0.00 C ATOM 500 CG GLU A 34 12.110 -0.788 -10.267 1.00 0.00 C ATOM 501 CD GLU A 34 13.349 -0.997 -11.117 1.00 0.00 C ATOM 502 OE1 GLU A 34 13.233 -0.942 -12.359 1.00 0.00 O ATOM 503 OE2 GLU A 34 14.434 -1.215 -10.539 1.00 0.00 O ATOM 0 H GLU A 34 10.323 1.167 -8.447 1.00 0.00 H new ATOM 0 HA GLU A 34 12.945 1.519 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.337 0.400 -10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.547 0.768 -11.622 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.388 -0.813 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.417 -1.613 -10.433 1.00 0.00 H new ATOM 510 N GLU A 35 10.606 3.438 -10.796 1.00 0.00 N ATOM 511 CA GLU A 35 10.395 4.664 -11.556 1.00 0.00 C ATOM 512 C GLU A 35 10.722 5.891 -10.711 1.00 0.00 C ATOM 513 O GLU A 35 11.042 6.956 -11.240 1.00 0.00 O ATOM 514 CB GLU A 35 8.949 4.741 -12.050 1.00 0.00 C ATOM 515 CG GLU A 35 8.560 3.601 -12.977 1.00 0.00 C ATOM 516 CD GLU A 35 7.295 3.892 -13.760 1.00 0.00 C ATOM 517 OE1 GLU A 35 6.256 4.172 -13.127 1.00 0.00 O ATOM 518 OE2 GLU A 35 7.344 3.839 -15.007 1.00 0.00 O ATOM 0 H GLU A 35 9.748 2.969 -10.505 1.00 0.00 H new ATOM 0 HA GLU A 35 11.065 4.648 -12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.280 4.743 -11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.802 5.687 -12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.377 3.408 -13.672 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.419 2.693 -12.391 1.00 0.00 H new ATOM 525 N PHE A 36 10.637 5.735 -9.394 1.00 0.00 N ATOM 526 CA PHE A 36 10.922 6.830 -8.474 1.00 0.00 C ATOM 527 C PHE A 36 12.370 7.290 -8.608 1.00 0.00 C ATOM 528 O PHE A 36 12.664 8.484 -8.539 1.00 0.00 O ATOM 529 CB PHE A 36 10.643 6.400 -7.033 1.00 0.00 C ATOM 530 CG PHE A 36 11.547 7.052 -6.026 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.654 8.432 -5.963 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.291 6.285 -5.145 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.485 9.035 -5.038 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.124 6.883 -4.217 1.00 0.00 C ATOM 535 CZ PHE A 36 13.222 8.260 -4.165 1.00 0.00 C ATOM 0 H PHE A 36 10.373 4.861 -8.940 1.00 0.00 H new ATOM 0 HA PHE A 36 10.269 7.665 -8.729 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.608 6.636 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.750 5.318 -6.958 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.081 9.043 -6.645 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.220 5.208 -5.183 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.558 10.112 -4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.697 6.274 -3.534 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.874 8.729 -3.443 1.00 0.00 H new ATOM 545 N LYS A 37 13.273 6.334 -8.800 1.00 0.00 N ATOM 546 CA LYS A 37 14.692 6.639 -8.944 1.00 0.00 C ATOM 547 C LYS A 37 15.049 6.883 -10.407 1.00 0.00 C ATOM 548 O LYS A 37 15.777 7.822 -10.728 1.00 0.00 O ATOM 549 CB LYS A 37 15.539 5.494 -8.385 1.00 0.00 C ATOM 550 CG LYS A 37 15.467 5.366 -6.873 1.00 0.00 C ATOM 551 CD LYS A 37 16.051 4.047 -6.397 1.00 0.00 C ATOM 552 CE LYS A 37 15.978 3.920 -4.883 1.00 0.00 C ATOM 553 NZ LYS A 37 16.089 2.502 -4.439 1.00 0.00 N ATOM 0 H LYS A 37 13.047 5.341 -8.860 1.00 0.00 H new ATOM 0 HA LYS A 37 14.903 7.548 -8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.212 4.557 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.578 5.644 -8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.007 6.192 -6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.429 5.443 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.511 3.221 -6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.089 3.970 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.778 4.506 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.036 4.339 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.307 2.279 -3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.042 1.874 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.996 2.361 -3.949 1.00 0.00 H new ATOM 567 N GLN A 38 14.532 6.032 -11.288 1.00 0.00 N ATOM 568 CA GLN A 38 14.797 6.157 -12.716 1.00 0.00 C ATOM 569 C GLN A 38 14.376 7.530 -13.230 1.00 0.00 C ATOM 570 O GLN A 38 15.183 8.266 -13.796 1.00 0.00 O ATOM 571 CB GLN A 38 14.062 5.062 -13.491 1.00 0.00 C ATOM 572 CG GLN A 38 14.770 3.718 -13.464 1.00 0.00 C ATOM 573 CD GLN A 38 16.060 3.722 -14.260 1.00 0.00 C ATOM 574 OE1 GLN A 38 16.191 4.444 -15.248 1.00 0.00 O ATOM 575 NE2 GLN A 38 17.023 2.913 -13.832 1.00 0.00 N ATOM 0 H GLN A 38 13.928 5.249 -11.038 1.00 0.00 H new ATOM 0 HA GLN A 38 15.870 6.044 -12.871 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.061 4.944 -13.076 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.942 5.379 -14.527 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.986 3.446 -12.431 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.104 2.953 -13.863 1.00 0.00 H new ATOM 0 HE21 GLN A 38 16.872 2.331 -13.008 1.00 0.00 H new ATOM 0 HE22 GLN A 38 17.914 2.874 -14.327 1.00 0.00 H new ATOM 584 N ASN A 39 13.106 7.868 -13.028 1.00 0.00 N ATOM 585 CA ASN A 39 12.578 9.153 -13.472 1.00 0.00 C ATOM 586 C ASN A 39 12.561 10.160 -12.326 1.00 0.00 C ATOM 587 O ASN A 39 13.308 11.137 -12.334 1.00 0.00 O ATOM 588 CB ASN A 39 11.165 8.980 -14.035 1.00 0.00 C ATOM 589 CG ASN A 39 10.506 10.306 -14.361 1.00 0.00 C ATOM 590 OD1 ASN A 39 10.835 10.947 -15.359 1.00 0.00 O ATOM 591 ND2 ASN A 39 9.570 10.724 -13.517 1.00 0.00 N ATOM 0 H ASN A 39 12.424 7.270 -12.560 1.00 0.00 H new ATOM 0 HA ASN A 39 13.231 9.534 -14.257 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.208 8.368 -14.936 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.552 8.441 -13.312 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.092 11.609 -13.684 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.329 10.160 -12.702 1.00 0.00 H new ATOM 598 N GLY A 40 11.703 9.913 -11.341 1.00 0.00 N ATOM 599 CA GLY A 40 11.605 10.806 -10.201 1.00 0.00 C ATOM 600 C GLY A 40 10.200 10.873 -9.637 1.00 0.00 C ATOM 601 O GLY A 40 9.235 11.071 -10.375 1.00 0.00 O ATOM 0 H GLY A 40 11.074 9.111 -11.312 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.290 10.472 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.922 11.806 -10.498 1.00 0.00 H new ATOM 605 N GLY A 41 10.083 10.706 -8.323 1.00 0.00 N ATOM 606 CA GLY A 41 8.781 10.750 -7.682 1.00 0.00 C ATOM 607 C GLY A 41 8.880 10.895 -6.177 1.00 0.00 C ATOM 608 O GLY A 41 9.920 11.292 -5.650 1.00 0.00 O ATOM 0 H GLY A 41 10.866 10.541 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.208 11.584 -8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.231 9.840 -7.921 1.00 0.00 H new ATOM 612 N LYS A 42 7.796 10.572 -5.480 1.00 0.00 N ATOM 613 CA LYS A 42 7.763 10.668 -4.026 1.00 0.00 C ATOM 614 C LYS A 42 8.572 9.543 -3.388 1.00 0.00 C ATOM 615 O LYS A 42 8.524 8.390 -3.818 1.00 0.00 O ATOM 616 CB LYS A 42 6.319 10.620 -3.523 1.00 0.00 C ATOM 617 CG LYS A 42 5.412 11.647 -4.178 1.00 0.00 C ATOM 618 CD LYS A 42 3.945 11.294 -3.996 1.00 0.00 C ATOM 619 CE LYS A 42 3.501 11.487 -2.554 1.00 0.00 C ATOM 620 NZ LYS A 42 2.047 11.214 -2.381 1.00 0.00 N ATOM 0 H LYS A 42 6.927 10.241 -5.900 1.00 0.00 H new ATOM 0 HA LYS A 42 8.209 11.621 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.914 9.624 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.313 10.778 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.606 12.630 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.642 11.711 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.336 11.916 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.779 10.259 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.075 10.825 -1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.719 12.508 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.783 11.356 -1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.498 11.863 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.843 10.232 -2.656 1.00 0.00 H new ATOM 634 N PRO A 43 9.333 9.882 -2.337 1.00 0.00 N ATOM 635 CA PRO A 43 10.165 8.913 -1.617 1.00 0.00 C ATOM 636 C PRO A 43 9.334 7.916 -0.818 1.00 0.00 C ATOM 637 O PRO A 43 9.814 6.841 -0.456 1.00 0.00 O ATOM 638 CB PRO A 43 10.997 9.790 -0.678 1.00 0.00 C ATOM 639 CG PRO A 43 10.177 11.017 -0.478 1.00 0.00 C ATOM 640 CD PRO A 43 9.440 11.237 -1.770 1.00 0.00 C ATOM 0 HA PRO A 43 10.762 8.304 -2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.190 9.284 0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.966 10.029 -1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.481 10.891 0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.808 11.873 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.459 11.681 -1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.984 11.909 -2.434 1.00 0.00 H new ATOM 648 N TYR A 44 8.085 8.277 -0.546 1.00 0.00 N ATOM 649 CA TYR A 44 7.187 7.415 0.213 1.00 0.00 C ATOM 650 C TYR A 44 6.049 6.905 -0.666 1.00 0.00 C ATOM 651 O TYR A 44 5.862 7.371 -1.791 1.00 0.00 O ATOM 652 CB TYR A 44 6.619 8.167 1.417 1.00 0.00 C ATOM 653 CG TYR A 44 5.832 9.403 1.042 1.00 0.00 C ATOM 654 CD1 TYR A 44 4.482 9.320 0.724 1.00 0.00 C ATOM 655 CD2 TYR A 44 6.438 10.652 1.005 1.00 0.00 C ATOM 656 CE1 TYR A 44 3.759 10.446 0.380 1.00 0.00 C ATOM 657 CE2 TYR A 44 5.723 11.784 0.664 1.00 0.00 C ATOM 658 CZ TYR A 44 4.383 11.675 0.352 1.00 0.00 C ATOM 659 OH TYR A 44 3.668 12.800 0.011 1.00 0.00 O ATOM 0 H TYR A 44 7.671 9.162 -0.840 1.00 0.00 H new ATOM 0 HA TYR A 44 7.761 6.558 0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.975 7.495 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.439 8.454 2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.989 8.359 0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.487 10.740 1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.711 10.364 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.210 12.748 0.642 1.00 0.00 H new ATOM 0 HH TYR A 44 4.256 13.583 0.041 1.00 0.00 H new ATOM 669 N LEU A 45 5.292 5.947 -0.145 1.00 0.00 N ATOM 670 CA LEU A 45 4.170 5.373 -0.881 1.00 0.00 C ATOM 671 C LEU A 45 2.955 5.200 0.026 1.00 0.00 C ATOM 672 O LEU A 45 3.058 4.642 1.118 1.00 0.00 O ATOM 673 CB LEU A 45 4.567 4.024 -1.484 1.00 0.00 C ATOM 674 CG LEU A 45 3.615 3.453 -2.536 1.00 0.00 C ATOM 675 CD1 LEU A 45 4.020 3.912 -3.928 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.586 1.934 -2.460 1.00 0.00 C ATOM 0 H LEU A 45 5.434 5.551 0.784 1.00 0.00 H new ATOM 0 HA LEU A 45 3.905 6.060 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.555 4.126 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.659 3.300 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 45 2.612 3.826 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.331 3.496 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.988 5.000 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.032 3.569 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.904 1.545 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.587 1.542 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.247 1.626 -1.471 1.00 0.00 H new ATOM 688 N SER A 46 1.805 5.680 -0.436 1.00 0.00 N ATOM 689 CA SER A 46 0.571 5.580 0.333 1.00 0.00 C ATOM 690 C SER A 46 -0.128 4.251 0.068 1.00 0.00 C ATOM 691 O SER A 46 -0.138 3.755 -1.059 1.00 0.00 O ATOM 692 CB SER A 46 -0.365 6.740 -0.012 1.00 0.00 C ATOM 693 OG SER A 46 0.237 7.988 0.283 1.00 0.00 O ATOM 0 H SER A 46 1.702 6.142 -1.339 1.00 0.00 H new ATOM 0 HA SER A 46 0.826 5.631 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.625 6.699 -1.070 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.295 6.640 0.548 1.00 0.00 H new ATOM 0 HG SER A 46 -0.381 8.712 0.052 1.00 0.00 H new ATOM 699 N VAL A 47 -0.714 3.678 1.115 1.00 0.00 N ATOM 700 CA VAL A 47 -1.417 2.406 0.997 1.00 0.00 C ATOM 701 C VAL A 47 -2.595 2.338 1.962 1.00 0.00 C ATOM 702 O VAL A 47 -2.419 2.419 3.178 1.00 0.00 O ATOM 703 CB VAL A 47 -0.476 1.217 1.268 1.00 0.00 C ATOM 704 CG1 VAL A 47 -1.239 -0.097 1.189 1.00 0.00 C ATOM 705 CG2 VAL A 47 0.689 1.227 0.289 1.00 0.00 C ATOM 0 H VAL A 47 -0.716 4.075 2.055 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.785 2.342 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.074 1.316 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.558 -0.926 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.036 -0.100 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.671 -0.208 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.344 0.380 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.309 1.153 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.250 2.155 0.400 1.00 0.00 H new ATOM 715 N ILE A 48 -3.795 2.187 1.413 1.00 0.00 N ATOM 716 CA ILE A 48 -5.002 2.106 2.226 1.00 0.00 C ATOM 717 C ILE A 48 -5.433 0.657 2.427 1.00 0.00 C ATOM 718 O ILE A 48 -5.844 -0.017 1.482 1.00 0.00 O ATOM 719 CB ILE A 48 -6.164 2.892 1.589 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.813 4.378 1.497 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.441 2.692 2.390 1.00 0.00 C ATOM 722 CD1 ILE A 48 -5.080 4.749 0.227 1.00 0.00 C ATOM 0 H ILE A 48 -3.958 2.118 0.408 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.762 2.549 3.193 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.329 2.514 0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.730 4.964 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.198 4.651 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.252 3.254 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.697 1.633 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.290 3.046 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.864 5.817 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.146 4.190 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.701 4.507 -0.635 1.00 0.00 H new ATOM 734 N THR A 49 -5.339 0.184 3.665 1.00 0.00 N ATOM 735 CA THR A 49 -5.719 -1.185 3.992 1.00 0.00 C ATOM 736 C THR A 49 -7.195 -1.271 4.365 1.00 0.00 C ATOM 737 O THR A 49 -7.909 -2.163 3.909 1.00 0.00 O ATOM 738 CB THR A 49 -4.875 -1.741 5.154 1.00 0.00 C ATOM 739 OG1 THR A 49 -4.913 -0.836 6.263 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.433 -1.958 4.719 1.00 0.00 C ATOM 0 H THR A 49 -5.003 0.729 4.459 1.00 0.00 H new ATOM 0 HA THR A 49 -5.536 -1.785 3.101 1.00 0.00 H new ATOM 0 HB THR A 49 -5.296 -2.701 5.454 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.141 -1.328 7.079 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.856 -2.351 5.556 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.405 -2.669 3.893 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.004 -1.010 4.396 1.00 0.00 H new ATOM 748 N GLY A 50 -7.647 -0.336 5.196 1.00 0.00 N ATOM 749 CA GLY A 50 -9.036 -0.325 5.615 1.00 0.00 C ATOM 750 C GLY A 50 -9.424 0.970 6.300 1.00 0.00 C ATOM 751 O GLY A 50 -8.814 1.360 7.296 1.00 0.00 O ATOM 0 H GLY A 50 -7.076 0.414 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.676 -0.479 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.214 -1.159 6.294 1.00 0.00 H new ATOM 755 N ARG A 51 -10.441 1.639 5.766 1.00 0.00 N ATOM 756 CA ARG A 51 -10.908 2.899 6.331 1.00 0.00 C ATOM 757 C ARG A 51 -11.470 2.690 7.734 1.00 0.00 C ATOM 758 O ARG A 51 -11.246 3.502 8.631 1.00 0.00 O ATOM 759 CB ARG A 51 -11.975 3.522 5.430 1.00 0.00 C ATOM 760 CG ARG A 51 -11.408 4.445 4.363 1.00 0.00 C ATOM 761 CD ARG A 51 -11.051 3.680 3.098 1.00 0.00 C ATOM 762 NE ARG A 51 -12.233 3.351 2.306 1.00 0.00 N ATOM 763 CZ ARG A 51 -12.190 3.045 1.014 1.00 0.00 C ATOM 764 NH1 ARG A 51 -11.030 3.026 0.372 1.00 0.00 N ATOM 765 NH2 ARG A 51 -13.309 2.756 0.362 1.00 0.00 N ATOM 0 H ARG A 51 -10.957 1.329 4.943 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.057 3.577 6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.540 2.725 4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.678 4.082 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.136 5.221 4.127 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.521 4.947 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.365 4.276 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.526 2.763 3.365 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.141 3.356 2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.168 3.247 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.000 2.791 -0.620 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.203 2.769 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.275 2.521 -0.630 1.00 0.00 H new ATOM 779 N GLY A 52 -12.203 1.596 7.916 1.00 0.00 N ATOM 780 CA GLY A 52 -12.787 1.301 9.212 1.00 0.00 C ATOM 781 C GLY A 52 -14.299 1.402 9.203 1.00 0.00 C ATOM 782 O GLY A 52 -14.870 2.192 8.452 1.00 0.00 O ATOM 0 H GLY A 52 -12.403 0.909 7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.495 0.297 9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.384 1.991 9.954 1.00 0.00 H new ATOM 786 N ASN A 53 -14.950 0.600 10.039 1.00 0.00 N ATOM 787 CA ASN A 53 -16.406 0.601 10.123 1.00 0.00 C ATOM 788 C ASN A 53 -16.868 0.875 11.551 1.00 0.00 C ATOM 789 O ASN A 53 -16.053 0.997 12.466 1.00 0.00 O ATOM 790 CB ASN A 53 -16.967 -0.738 9.641 1.00 0.00 C ATOM 791 CG ASN A 53 -16.461 -1.114 8.262 1.00 0.00 C ATOM 792 OD1 ASN A 53 -16.078 -0.251 7.472 1.00 0.00 O ATOM 793 ND2 ASN A 53 -16.458 -2.409 7.965 1.00 0.00 N ATOM 0 H ASN A 53 -14.492 -0.059 10.668 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.782 1.397 9.480 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.695 -1.519 10.350 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -18.056 -0.688 9.624 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.129 -2.722 7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.784 -3.090 8.650 1.00 0.00 H new ATOM 800 N HIS A 54 -18.181 0.970 11.734 1.00 0.00 N ATOM 801 CA HIS A 54 -18.753 1.228 13.051 1.00 0.00 C ATOM 802 C HIS A 54 -18.468 0.070 14.003 1.00 0.00 C ATOM 803 O HIS A 54 -18.087 0.280 15.155 1.00 0.00 O ATOM 804 CB HIS A 54 -20.261 1.453 12.940 1.00 0.00 C ATOM 805 CG HIS A 54 -20.978 1.363 14.252 1.00 0.00 C ATOM 806 ND1 HIS A 54 -21.227 2.460 15.050 1.00 0.00 N ATOM 807 CD2 HIS A 54 -21.501 0.299 14.904 1.00 0.00 C ATOM 808 CE1 HIS A 54 -21.871 2.074 16.137 1.00 0.00 C ATOM 809 NE2 HIS A 54 -22.050 0.767 16.073 1.00 0.00 N ATOM 0 H HIS A 54 -18.869 0.872 10.987 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.288 2.128 13.452 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.442 2.435 12.503 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.681 0.716 12.255 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -21.489 -0.727 14.568 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.196 2.718 16.941 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -22.520 0.198 16.777 1.00 0.00 H new ATOM 817 N SER A 55 -18.655 -1.152 13.514 1.00 0.00 N ATOM 818 CA SER A 55 -18.423 -2.342 14.323 1.00 0.00 C ATOM 819 C SER A 55 -16.969 -2.414 14.779 1.00 0.00 C ATOM 820 O SER A 55 -16.075 -1.878 14.124 1.00 0.00 O ATOM 821 CB SER A 55 -18.784 -3.601 13.532 1.00 0.00 C ATOM 822 OG SER A 55 -17.795 -3.893 12.559 1.00 0.00 O ATOM 0 H SER A 55 -18.966 -1.343 12.562 1.00 0.00 H new ATOM 0 HA SER A 55 -19.060 -2.281 15.205 1.00 0.00 H new ATOM 0 HB2 SER A 55 -18.888 -4.445 14.214 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.749 -3.464 13.044 1.00 0.00 H new ATOM 0 HG SER A 55 -18.048 -4.703 12.068 1.00 0.00 H new ATOM 828 N GLN A 56 -16.741 -3.080 15.906 1.00 0.00 N ATOM 829 CA GLN A 56 -15.395 -3.221 16.451 1.00 0.00 C ATOM 830 C GLN A 56 -14.732 -4.495 15.938 1.00 0.00 C ATOM 831 O GLN A 56 -13.519 -4.537 15.734 1.00 0.00 O ATOM 832 CB GLN A 56 -15.440 -3.235 17.980 1.00 0.00 C ATOM 833 CG GLN A 56 -16.344 -4.315 18.552 1.00 0.00 C ATOM 834 CD GLN A 56 -16.187 -4.473 20.052 1.00 0.00 C ATOM 835 OE1 GLN A 56 -15.075 -4.424 20.579 1.00 0.00 O ATOM 836 NE2 GLN A 56 -17.301 -4.665 20.747 1.00 0.00 N ATOM 0 H GLN A 56 -17.470 -3.530 16.460 1.00 0.00 H new ATOM 0 HA GLN A 56 -14.804 -2.367 16.120 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -14.430 -3.378 18.364 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -15.781 -2.262 18.334 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -17.382 -4.074 18.322 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.122 -5.265 18.065 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.201 -4.699 20.269 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.257 -4.779 21.760 1.00 0.00 H new ATOM 845 N GLY A 57 -15.536 -5.534 15.732 1.00 0.00 N ATOM 846 CA GLY A 57 -15.008 -6.795 15.246 1.00 0.00 C ATOM 847 C GLY A 57 -14.013 -6.611 14.117 1.00 0.00 C ATOM 848 O GLY A 57 -14.078 -5.631 13.377 1.00 0.00 O ATOM 0 H GLY A 57 -16.543 -5.525 15.893 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.526 -7.324 16.068 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.831 -7.422 14.902 1.00 0.00 H new ATOM 852 N GLY A 58 -13.087 -7.556 13.986 1.00 0.00 N ATOM 853 CA GLY A 58 -12.086 -7.474 12.939 1.00 0.00 C ATOM 854 C GLY A 58 -12.635 -6.882 11.657 1.00 0.00 C ATOM 855 O GLY A 58 -13.526 -7.456 11.031 1.00 0.00 O ATOM 0 H GLY A 58 -13.012 -8.377 14.587 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.250 -6.867 13.287 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.694 -8.471 12.737 1.00 0.00 H new ATOM 859 N VAL A 59 -12.105 -5.728 11.264 1.00 0.00 N ATOM 860 CA VAL A 59 -12.548 -5.057 10.048 1.00 0.00 C ATOM 861 C VAL A 59 -11.799 -5.580 8.827 1.00 0.00 C ATOM 862 O VAL A 59 -12.399 -6.143 7.912 1.00 0.00 O ATOM 863 CB VAL A 59 -12.350 -3.533 10.144 1.00 0.00 C ATOM 864 CG1 VAL A 59 -12.780 -2.856 8.851 1.00 0.00 C ATOM 865 CG2 VAL A 59 -13.116 -2.970 11.331 1.00 0.00 C ATOM 0 H VAL A 59 -11.368 -5.238 11.771 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.611 -5.272 9.938 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.290 -3.331 10.297 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -12.633 -1.779 8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.182 -3.239 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -13.833 -3.064 8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.965 -1.892 11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -14.179 -3.182 11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.755 -3.432 12.250 1.00 0.00 H new ATOM 875 N ALA A 60 -10.484 -5.391 8.821 1.00 0.00 N ATOM 876 CA ALA A 60 -9.652 -5.846 7.714 1.00 0.00 C ATOM 877 C ALA A 60 -8.517 -6.736 8.210 1.00 0.00 C ATOM 878 O ALA A 60 -7.944 -6.493 9.272 1.00 0.00 O ATOM 879 CB ALA A 60 -9.095 -4.655 6.948 1.00 0.00 C ATOM 0 H ALA A 60 -9.972 -4.926 9.570 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.275 -6.437 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.476 -5.010 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.918 -4.059 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.492 -4.042 7.617 1.00 0.00 H new ATOM 885 N ARG A 61 -8.199 -7.767 7.435 1.00 0.00 N ATOM 886 CA ARG A 61 -7.134 -8.695 7.797 1.00 0.00 C ATOM 887 C ARG A 61 -5.874 -8.421 6.981 1.00 0.00 C ATOM 888 O ARG A 61 -4.924 -9.204 7.007 1.00 0.00 O ATOM 889 CB ARG A 61 -7.591 -10.139 7.580 1.00 0.00 C ATOM 890 CG ARG A 61 -6.911 -11.137 8.504 1.00 0.00 C ATOM 891 CD ARG A 61 -7.166 -12.569 8.059 1.00 0.00 C ATOM 892 NE ARG A 61 -8.370 -13.126 8.670 1.00 0.00 N ATOM 893 CZ ARG A 61 -9.026 -14.172 8.181 1.00 0.00 C ATOM 894 NH1 ARG A 61 -8.596 -14.773 7.080 1.00 0.00 N ATOM 895 NH2 ARG A 61 -10.114 -14.620 8.793 1.00 0.00 N ATOM 0 H ARG A 61 -8.663 -7.981 6.552 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.902 -8.549 8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.669 -10.196 7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.395 -10.422 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.838 -10.946 8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.276 -11.000 9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.263 -12.599 6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.308 -13.188 8.320 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.727 -12.687 9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.759 -14.432 6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.102 -15.576 6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.448 -14.161 9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.617 -15.423 8.416 1.00 0.00 H new ATOM 909 N ILE A 62 -5.874 -7.306 6.258 1.00 0.00 N ATOM 910 CA ILE A 62 -4.731 -6.929 5.436 1.00 0.00 C ATOM 911 C ILE A 62 -3.665 -6.222 6.267 1.00 0.00 C ATOM 912 O ILE A 62 -2.499 -6.618 6.269 1.00 0.00 O ATOM 913 CB ILE A 62 -5.152 -6.011 4.273 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.117 -6.745 3.340 1.00 0.00 C ATOM 915 CG2 ILE A 62 -3.928 -5.531 3.508 1.00 0.00 C ATOM 916 CD1 ILE A 62 -6.707 -5.860 2.264 1.00 0.00 C ATOM 0 H ILE A 62 -6.653 -6.648 6.225 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.318 -7.852 5.028 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.664 -5.140 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.592 -7.576 2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.926 -7.173 3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.242 -4.883 2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.274 -4.976 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.390 -6.390 3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.381 -6.446 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.260 -5.043 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.905 -5.452 1.648 1.00 0.00 H new ATOM 928 N LYS A 63 -4.073 -5.174 6.974 1.00 0.00 N ATOM 929 CA LYS A 63 -3.155 -4.412 7.812 1.00 0.00 C ATOM 930 C LYS A 63 -2.244 -5.342 8.606 1.00 0.00 C ATOM 931 O LYS A 63 -1.025 -5.171 8.647 1.00 0.00 O ATOM 932 CB LYS A 63 -3.936 -3.508 8.768 1.00 0.00 C ATOM 933 CG LYS A 63 -3.283 -2.156 8.997 1.00 0.00 C ATOM 934 CD LYS A 63 -4.151 -1.256 9.860 1.00 0.00 C ATOM 935 CE LYS A 63 -3.332 -0.158 10.521 1.00 0.00 C ATOM 936 NZ LYS A 63 -4.197 0.875 11.154 1.00 0.00 N ATOM 0 H LYS A 63 -5.034 -4.833 6.983 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.536 -3.794 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.940 -3.355 8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.046 -4.016 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.314 -2.296 9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.098 -1.673 8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.934 -0.809 9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.647 -1.853 10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.679 -0.597 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.689 0.313 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.601 1.605 11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.803 1.312 10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.793 0.431 11.882 1.00 0.00 H new ATOM 950 N PRO A 64 -2.845 -6.352 9.252 1.00 0.00 N ATOM 951 CA PRO A 64 -2.106 -7.331 10.054 1.00 0.00 C ATOM 952 C PRO A 64 -0.891 -7.886 9.318 1.00 0.00 C ATOM 953 O PRO A 64 0.236 -7.794 9.803 1.00 0.00 O ATOM 954 CB PRO A 64 -3.134 -8.438 10.300 1.00 0.00 C ATOM 955 CG PRO A 64 -4.455 -7.755 10.208 1.00 0.00 C ATOM 956 CD PRO A 64 -4.294 -6.617 9.247 1.00 0.00 C ATOM 0 HA PRO A 64 -1.707 -6.890 10.968 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.046 -9.232 9.558 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.994 -8.899 11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.223 -8.446 9.862 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.770 -7.392 11.186 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.648 -6.882 8.251 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.861 -5.742 9.565 1.00 0.00 H new ATOM 964 N ALA A 65 -1.129 -8.461 8.143 1.00 0.00 N ATOM 965 CA ALA A 65 -0.054 -9.028 7.339 1.00 0.00 C ATOM 966 C ALA A 65 0.937 -7.951 6.910 1.00 0.00 C ATOM 967 O ALA A 65 2.137 -8.061 7.162 1.00 0.00 O ATOM 968 CB ALA A 65 -0.625 -9.738 6.121 1.00 0.00 C ATOM 0 H ALA A 65 -2.057 -8.546 7.727 1.00 0.00 H new ATOM 0 HA ALA A 65 0.481 -9.754 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.189 -10.157 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.288 -10.540 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.186 -9.027 5.515 1.00 0.00 H new ATOM 974 N VAL A 66 0.428 -6.910 6.259 1.00 0.00 N ATOM 975 CA VAL A 66 1.269 -5.813 5.795 1.00 0.00 C ATOM 976 C VAL A 66 2.229 -5.356 6.887 1.00 0.00 C ATOM 977 O VAL A 66 3.422 -5.174 6.642 1.00 0.00 O ATOM 978 CB VAL A 66 0.421 -4.611 5.337 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.310 -3.417 5.027 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.423 -4.985 4.127 1.00 0.00 C ATOM 0 H VAL A 66 -0.563 -6.803 6.041 1.00 0.00 H new ATOM 0 HA VAL A 66 1.841 -6.190 4.947 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.251 -4.332 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.693 -2.578 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.867 -3.136 5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.008 -3.680 4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.016 -4.124 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.229 -5.290 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.088 -5.808 4.388 1.00 0.00 H new ATOM 990 N ILE A 67 1.701 -5.174 8.093 1.00 0.00 N ATOM 991 CA ILE A 67 2.512 -4.740 9.223 1.00 0.00 C ATOM 992 C ILE A 67 3.593 -5.765 9.550 1.00 0.00 C ATOM 993 O ILE A 67 4.700 -5.410 9.953 1.00 0.00 O ATOM 994 CB ILE A 67 1.650 -4.502 10.477 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.702 -3.321 10.254 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.534 -4.257 11.690 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.348 -3.178 11.333 1.00 0.00 C ATOM 0 H ILE A 67 0.716 -5.320 8.312 1.00 0.00 H new ATOM 0 HA ILE A 67 2.982 -3.801 8.931 1.00 0.00 H new ATOM 0 HB ILE A 67 1.052 -5.394 10.663 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.286 -2.402 10.202 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.207 -3.440 9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.909 -4.091 12.568 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.171 -5.125 11.857 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.156 -3.379 11.516 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.984 -2.321 11.110 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.956 -4.082 11.371 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.139 -3.028 12.297 1.00 0.00 H new ATOM 1009 N LYS A 68 3.264 -7.040 9.373 1.00 0.00 N ATOM 1010 CA LYS A 68 4.206 -8.119 9.645 1.00 0.00 C ATOM 1011 C LYS A 68 5.288 -8.181 8.572 1.00 0.00 C ATOM 1012 O LYS A 68 6.466 -8.373 8.875 1.00 0.00 O ATOM 1013 CB LYS A 68 3.470 -9.459 9.721 1.00 0.00 C ATOM 1014 CG LYS A 68 4.301 -10.575 10.331 1.00 0.00 C ATOM 1015 CD LYS A 68 3.719 -11.942 10.010 1.00 0.00 C ATOM 1016 CE LYS A 68 4.481 -13.052 10.718 1.00 0.00 C ATOM 1017 NZ LYS A 68 4.197 -13.075 12.179 1.00 0.00 N ATOM 0 H LYS A 68 2.351 -7.352 9.042 1.00 0.00 H new ATOM 0 HA LYS A 68 4.683 -7.918 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.561 -9.332 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.163 -9.753 8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.323 -10.516 9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.350 -10.444 11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.671 -11.971 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.749 -12.108 8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.212 -14.013 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.551 -12.917 10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.639 -13.914 12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.584 -12.217 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.169 -13.110 12.332 1.00 0.00 H new ATOM 1031 N TYR A 69 4.881 -8.016 7.318 1.00 0.00 N ATOM 1032 CA TYR A 69 5.816 -8.054 6.200 1.00 0.00 C ATOM 1033 C TYR A 69 6.739 -6.840 6.221 1.00 0.00 C ATOM 1034 O TYR A 69 7.939 -6.953 5.965 1.00 0.00 O ATOM 1035 CB TYR A 69 5.055 -8.109 4.874 1.00 0.00 C ATOM 1036 CG TYR A 69 5.955 -8.103 3.659 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.445 -6.912 3.139 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.317 -9.289 3.033 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.267 -6.902 2.028 1.00 0.00 C ATOM 1040 CE2 TYR A 69 7.140 -9.289 1.923 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.612 -8.093 1.424 1.00 0.00 C ATOM 1042 OH TYR A 69 8.432 -8.087 0.319 1.00 0.00 O ATOM 0 H TYR A 69 3.910 -7.855 7.051 1.00 0.00 H new ATOM 0 HA TYR A 69 6.426 -8.952 6.298 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.439 -9.008 4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.377 -7.257 4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.179 -5.978 3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.949 -10.227 3.421 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.637 -5.967 1.635 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.412 -10.220 1.449 1.00 0.00 H new ATOM 0 HH TYR A 69 9.345 -8.322 0.588 1.00 0.00 H new ATOM 1052 N LEU A 70 6.172 -5.679 6.527 1.00 0.00 N ATOM 1053 CA LEU A 70 6.942 -4.442 6.582 1.00 0.00 C ATOM 1054 C LEU A 70 8.062 -4.543 7.613 1.00 0.00 C ATOM 1055 O LEU A 70 9.239 -4.395 7.282 1.00 0.00 O ATOM 1056 CB LEU A 70 6.028 -3.263 6.920 1.00 0.00 C ATOM 1057 CG LEU A 70 5.055 -2.832 5.822 1.00 0.00 C ATOM 1058 CD1 LEU A 70 3.979 -1.919 6.390 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.801 -2.140 4.690 1.00 0.00 C ATOM 0 H LEU A 70 5.181 -5.568 6.741 1.00 0.00 H new ATOM 0 HA LEU A 70 7.389 -4.278 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.451 -3.519 7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.652 -2.408 7.181 1.00 0.00 H new ATOM 0 HG LEU A 70 4.572 -3.723 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.296 -1.623 5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.425 -2.448 7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.444 -1.031 6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.093 -1.840 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.312 -1.258 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.534 -2.826 4.264 1.00 0.00 H new ATOM 1071 N ILE A 71 7.688 -4.799 8.862 1.00 0.00 N ATOM 1072 CA ILE A 71 8.661 -4.923 9.940 1.00 0.00 C ATOM 1073 C ILE A 71 9.709 -5.982 9.615 1.00 0.00 C ATOM 1074 O ILE A 71 10.897 -5.796 9.878 1.00 0.00 O ATOM 1075 CB ILE A 71 7.980 -5.283 11.274 1.00 0.00 C ATOM 1076 CG1 ILE A 71 6.975 -4.198 11.668 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.022 -5.470 12.367 1.00 0.00 C ATOM 1078 CD1 ILE A 71 5.920 -4.677 12.640 1.00 0.00 C ATOM 0 H ILE A 71 6.718 -4.925 9.152 1.00 0.00 H new ATOM 0 HA ILE A 71 9.147 -3.953 10.040 1.00 0.00 H new ATOM 0 HB ILE A 71 7.441 -6.222 11.148 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.513 -3.360 12.111 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.486 -3.823 10.769 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.525 -5.724 13.303 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.702 -6.274 12.087 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.586 -4.546 12.494 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.242 -3.856 12.875 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.357 -5.496 12.192 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.399 -5.025 13.555 1.00 0.00 H new ATOM 1090 N SER A 72 9.261 -7.093 9.040 1.00 0.00 N ATOM 1091 CA SER A 72 10.159 -8.184 8.680 1.00 0.00 C ATOM 1092 C SER A 72 11.312 -7.676 7.819 1.00 0.00 C ATOM 1093 O SER A 72 12.479 -7.947 8.101 1.00 0.00 O ATOM 1094 CB SER A 72 9.394 -9.279 7.934 1.00 0.00 C ATOM 1095 OG SER A 72 10.268 -10.304 7.497 1.00 0.00 O ATOM 0 H SER A 72 8.281 -7.262 8.813 1.00 0.00 H new ATOM 0 HA SER A 72 10.570 -8.601 9.599 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.630 -9.702 8.586 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.878 -8.847 7.077 1.00 0.00 H new ATOM 0 HG SER A 72 9.755 -10.992 7.024 1.00 0.00 H new ATOM 1101 N HIS A 73 10.975 -6.938 6.766 1.00 0.00 N ATOM 1102 CA HIS A 73 11.981 -6.391 5.862 1.00 0.00 C ATOM 1103 C HIS A 73 12.535 -5.075 6.399 1.00 0.00 C ATOM 1104 O HIS A 73 13.198 -4.329 5.678 1.00 0.00 O ATOM 1105 CB HIS A 73 11.385 -6.177 4.471 1.00 0.00 C ATOM 1106 CG HIS A 73 10.975 -7.448 3.793 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.498 -8.608 4.301 1.00 0.00 N flip ATOM 1108 CD2 HIS A 73 11.036 -7.626 2.427 1.00 0.00 C flip ATOM 1109 CE1 HIS A 73 10.280 -9.457 3.243 1.00 0.00 C flip ATOM 1110 NE2 HIS A 73 10.612 -8.840 2.124 1.00 0.00 N flip ATOM 0 H HIS A 73 10.014 -6.705 6.518 1.00 0.00 H new ATOM 0 HA HIS A 73 12.799 -7.108 5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.517 -5.523 4.553 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.115 -5.661 3.847 1.00 0.00 H new ATOM 0 HD1 HIS A 73 10.331 -8.814 5.286 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.377 -6.888 1.716 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.899 -10.465 3.315 1.00 0.00 H new ATOM 1118 N SER A 74 12.258 -4.796 7.669 1.00 0.00 N ATOM 1119 CA SER A 74 12.725 -3.567 8.301 1.00 0.00 C ATOM 1120 C SER A 74 12.308 -2.345 7.488 1.00 0.00 C ATOM 1121 O SER A 74 13.113 -1.449 7.234 1.00 0.00 O ATOM 1122 CB SER A 74 14.247 -3.595 8.456 1.00 0.00 C ATOM 1123 OG SER A 74 14.703 -2.490 9.217 1.00 0.00 O ATOM 0 H SER A 74 11.713 -5.404 8.280 1.00 0.00 H new ATOM 0 HA SER A 74 12.267 -3.499 9.288 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.549 -4.524 8.940 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.716 -3.581 7.472 1.00 0.00 H new ATOM 0 HG SER A 74 14.419 -1.657 8.787 1.00 0.00 H new ATOM 1129 N PHE A 75 11.042 -2.317 7.083 1.00 0.00 N ATOM 1130 CA PHE A 75 10.516 -1.206 6.299 1.00 0.00 C ATOM 1131 C PHE A 75 10.040 -0.076 7.207 1.00 0.00 C ATOM 1132 O PHE A 75 9.349 -0.311 8.198 1.00 0.00 O ATOM 1133 CB PHE A 75 9.364 -1.682 5.411 1.00 0.00 C ATOM 1134 CG PHE A 75 9.807 -2.157 4.057 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.490 -1.308 3.200 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.541 -3.451 3.640 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.898 -1.743 1.953 1.00 0.00 C ATOM 1138 CE2 PHE A 75 9.947 -3.891 2.394 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.628 -3.036 1.550 1.00 0.00 C ATOM 0 H PHE A 75 10.362 -3.050 7.285 1.00 0.00 H new ATOM 0 HA PHE A 75 11.320 -0.826 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.837 -2.491 5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.652 -0.867 5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.706 -0.296 3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.010 -4.124 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.428 -1.072 1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.732 -4.902 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.949 -3.378 0.577 1.00 0.00 H new ATOM 1149 N ARG A 76 10.415 1.151 6.860 1.00 0.00 N ATOM 1150 CA ARG A 76 10.028 2.318 7.644 1.00 0.00 C ATOM 1151 C ARG A 76 8.650 2.822 7.226 1.00 0.00 C ATOM 1152 O ARG A 76 8.420 3.133 6.057 1.00 0.00 O ATOM 1153 CB ARG A 76 11.062 3.433 7.481 1.00 0.00 C ATOM 1154 CG ARG A 76 10.933 4.540 8.515 1.00 0.00 C ATOM 1155 CD ARG A 76 11.825 5.724 8.178 1.00 0.00 C ATOM 1156 NE ARG A 76 13.154 5.595 8.770 1.00 0.00 N ATOM 1157 CZ ARG A 76 13.428 5.896 10.034 1.00 0.00 C ATOM 1158 NH1 ARG A 76 12.471 6.342 10.836 1.00 0.00 N ATOM 1159 NH2 ARG A 76 14.662 5.751 10.499 1.00 0.00 N ATOM 0 H ARG A 76 10.986 1.363 6.042 1.00 0.00 H new ATOM 0 HA ARG A 76 9.984 2.022 8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.061 3.002 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.964 3.865 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.895 4.869 8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.197 4.153 9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.917 5.811 7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.358 6.642 8.533 1.00 0.00 H new ATOM 0 HE ARG A 76 13.913 5.255 8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.521 6.455 10.483 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.685 6.572 11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.401 5.408 9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.872 5.982 11.470 1.00 0.00 H new ATOM 1173 N PHE A 77 7.737 2.900 8.188 1.00 0.00 N ATOM 1174 CA PHE A 77 6.381 3.364 7.920 1.00 0.00 C ATOM 1175 C PHE A 77 5.794 4.063 9.142 1.00 0.00 C ATOM 1176 O PHE A 77 6.200 3.802 10.275 1.00 0.00 O ATOM 1177 CB PHE A 77 5.489 2.191 7.511 1.00 0.00 C ATOM 1178 CG PHE A 77 5.205 1.234 8.634 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.243 0.642 9.335 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.901 0.926 8.987 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.986 -0.239 10.369 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.638 0.047 10.021 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.682 -0.537 10.712 1.00 0.00 C ATOM 0 H PHE A 77 7.912 2.648 9.161 1.00 0.00 H new ATOM 0 HA PHE A 77 6.425 4.081 7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.545 2.579 7.127 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.966 1.649 6.694 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.265 0.871 9.071 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.081 1.378 8.448 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.804 -0.694 10.908 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.617 -0.183 10.288 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.479 -1.225 11.519 1.00 0.00 H new ATOM 1193 N SER A 78 4.836 4.953 8.904 1.00 0.00 N ATOM 1194 CA SER A 78 4.195 5.694 9.984 1.00 0.00 C ATOM 1195 C SER A 78 2.686 5.768 9.771 1.00 0.00 C ATOM 1196 O SER A 78 2.217 6.029 8.664 1.00 0.00 O ATOM 1197 CB SER A 78 4.777 7.106 10.079 1.00 0.00 C ATOM 1198 OG SER A 78 5.993 7.108 10.808 1.00 0.00 O ATOM 0 H SER A 78 4.487 5.179 7.973 1.00 0.00 H new ATOM 0 HA SER A 78 4.388 5.166 10.918 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.949 7.500 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.058 7.767 10.563 1.00 0.00 H new ATOM 0 HG SER A 78 6.346 8.021 10.853 1.00 0.00 H new ATOM 1204 N GLU A 79 1.932 5.536 10.841 1.00 0.00 N ATOM 1205 CA GLU A 79 0.476 5.575 10.772 1.00 0.00 C ATOM 1206 C GLU A 79 -0.042 6.993 10.991 1.00 0.00 C ATOM 1207 O GLU A 79 -0.051 7.495 12.116 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.132 4.632 11.812 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.634 4.452 11.667 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.423 5.504 12.423 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.626 6.605 11.868 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -2.837 5.227 13.568 1.00 0.00 O ATOM 0 H GLU A 79 2.305 5.319 11.765 1.00 0.00 H new ATOM 0 HA GLU A 79 0.177 5.247 9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.351 3.658 11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.085 5.016 12.809 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.901 4.492 10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.914 3.463 12.029 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.470 7.635 9.909 1.00 0.00 N ATOM 1220 CA ILE A 80 -0.989 8.995 9.983 1.00 0.00 C ATOM 1221 C ILE A 80 -2.512 8.999 10.058 1.00 0.00 C ATOM 1222 O ILE A 80 -3.119 9.957 10.536 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.544 9.833 8.770 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.998 9.169 7.469 1.00 0.00 C ATOM 1225 CG2 ILE A 80 0.966 10.017 8.779 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.968 10.097 6.274 1.00 0.00 C ATOM 0 H ILE A 80 -0.468 7.235 8.971 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.582 9.440 10.891 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.011 10.816 8.835 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.359 8.309 7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.012 8.789 7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.265 10.611 7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.265 10.530 9.693 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.452 9.042 8.734 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.302 9.559 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.629 10.945 6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.049 10.457 6.118 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.125 7.919 9.584 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.578 7.795 9.599 1.00 0.00 C ATOM 1240 C LYS A 81 -4.999 6.378 9.976 1.00 0.00 C ATOM 1241 O LYS A 81 -4.272 5.410 9.755 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.156 8.164 8.231 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.696 9.519 7.721 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.646 10.626 8.146 1.00 0.00 C ATOM 1245 CE LYS A 81 -5.668 11.760 7.133 1.00 0.00 C ATOM 1246 NZ LYS A 81 -6.864 12.632 7.303 1.00 0.00 N ATOM 0 H LYS A 81 -2.638 7.117 9.185 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.969 8.483 10.349 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.874 7.398 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.244 8.159 8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.696 9.731 8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.627 9.495 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.651 10.220 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.344 11.012 9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.764 12.359 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.660 11.346 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.843 13.393 6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.727 12.066 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.858 13.047 8.257 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.201 6.252 10.557 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.746 4.957 10.975 1.00 0.00 C ATOM 1262 C PRO A 82 -7.119 4.075 9.788 1.00 0.00 C ATOM 1263 O PRO A 82 -7.650 2.979 9.959 1.00 0.00 O ATOM 1264 CB PRO A 82 -7.997 5.339 11.771 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.398 6.668 11.231 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.121 7.364 10.852 1.00 0.00 C ATOM 0 HA PRO A 82 -6.022 4.375 11.545 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.790 4.603 11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.786 5.393 12.839 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.053 6.556 10.367 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.949 7.242 11.976 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.258 8.012 9.987 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.748 7.990 11.663 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.836 4.561 8.583 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.148 3.804 7.385 1.00 0.00 C ATOM 1276 C GLY A 83 -6.161 4.060 6.264 1.00 0.00 C ATOM 1277 O GLY A 83 -6.497 3.917 5.087 1.00 0.00 O ATOM 0 H GLY A 83 -6.396 5.466 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.155 2.740 7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.152 4.062 7.047 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.941 4.441 6.627 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.903 4.720 5.641 1.00 0.00 C ATOM 1283 C CYS A 84 -2.523 4.376 6.193 1.00 0.00 C ATOM 1284 O CYS A 84 -2.235 4.615 7.367 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.947 6.191 5.226 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.399 6.496 3.530 1.00 0.00 S ATOM 0 H CYS A 84 -4.647 4.564 7.596 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.090 4.098 4.766 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.967 6.559 5.339 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.323 6.769 5.908 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.474 7.768 3.272 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.674 3.813 5.341 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.324 3.434 5.743 1.00 0.00 C ATOM 1294 C LEU A 85 0.713 4.030 4.798 1.00 0.00 C ATOM 1295 O LEU A 85 0.702 3.761 3.596 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.188 1.911 5.773 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.917 1.194 6.910 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.949 -0.306 6.662 1.00 0.00 C ATOM 1299 CD2 LEU A 85 -0.255 1.501 8.245 1.00 0.00 C ATOM 0 H LEU A 85 -1.897 3.609 4.367 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.146 3.828 6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.555 1.515 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.871 1.662 5.834 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.944 1.558 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.472 -0.799 7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.469 -0.509 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.071 -0.686 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.787 0.982 9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.782 1.166 8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.285 2.575 8.428 1.00 0.00 H new ATOM 1311 N LYS A 86 1.611 4.841 5.348 1.00 0.00 N ATOM 1312 CA LYS A 86 2.659 5.474 4.555 1.00 0.00 C ATOM 1313 C LYS A 86 3.995 4.767 4.757 1.00 0.00 C ATOM 1314 O LYS A 86 4.572 4.807 5.844 1.00 0.00 O ATOM 1315 CB LYS A 86 2.789 6.951 4.931 1.00 0.00 C ATOM 1316 CG LYS A 86 3.400 7.806 3.834 1.00 0.00 C ATOM 1317 CD LYS A 86 3.273 9.288 4.146 1.00 0.00 C ATOM 1318 CE LYS A 86 4.473 9.798 4.928 1.00 0.00 C ATOM 1319 NZ LYS A 86 4.395 9.427 6.368 1.00 0.00 N ATOM 0 H LYS A 86 1.634 5.076 6.340 1.00 0.00 H new ATOM 0 HA LYS A 86 2.382 5.396 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.802 7.343 5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.400 7.036 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.452 7.548 3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.908 7.589 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.178 9.850 3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.363 9.463 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.387 9.390 4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.533 10.882 4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.878 10.150 6.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.398 9.366 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.855 8.506 6.515 1.00 0.00 H new ATOM 1333 N VAL A 87 4.484 4.122 3.703 1.00 0.00 N ATOM 1334 CA VAL A 87 5.754 3.409 3.764 1.00 0.00 C ATOM 1335 C VAL A 87 6.833 4.139 2.973 1.00 0.00 C ATOM 1336 O VAL A 87 6.690 4.367 1.772 1.00 0.00 O ATOM 1337 CB VAL A 87 5.619 1.973 3.222 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.947 1.239 3.318 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.529 1.222 3.971 1.00 0.00 C ATOM 0 H VAL A 87 4.019 4.079 2.796 1.00 0.00 H new ATOM 0 HA VAL A 87 6.043 3.367 4.814 1.00 0.00 H new ATOM 0 HB VAL A 87 5.336 2.025 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.832 0.227 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.699 1.768 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.264 1.195 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.447 0.210 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.780 1.178 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.578 1.739 3.844 1.00 0.00 H new ATOM 1349 N MET A 88 7.914 4.504 3.655 1.00 0.00 N ATOM 1350 CA MET A 88 9.020 5.208 3.015 1.00 0.00 C ATOM 1351 C MET A 88 9.832 4.261 2.137 1.00 0.00 C ATOM 1352 O MET A 88 10.487 3.345 2.636 1.00 0.00 O ATOM 1353 CB MET A 88 9.925 5.847 4.070 1.00 0.00 C ATOM 1354 CG MET A 88 9.229 6.909 4.905 1.00 0.00 C ATOM 1355 SD MET A 88 9.104 8.492 4.051 1.00 0.00 S ATOM 1356 CE MET A 88 10.806 9.047 4.117 1.00 0.00 C ATOM 0 H MET A 88 8.048 4.324 4.650 1.00 0.00 H new ATOM 0 HA MET A 88 8.602 5.992 2.383 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.305 5.068 4.731 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.787 6.293 3.575 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.230 6.562 5.167 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.774 7.046 5.839 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.845 10.123 3.947 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.225 8.820 5.097 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.385 8.537 3.347 1.00 0.00 H new ATOM 1366 N LEU A 89 9.785 4.487 0.829 1.00 0.00 N ATOM 1367 CA LEU A 89 10.516 3.653 -0.119 1.00 0.00 C ATOM 1368 C LEU A 89 12.020 3.743 0.125 1.00 0.00 C ATOM 1369 O LEU A 89 12.650 4.756 -0.181 1.00 0.00 O ATOM 1370 CB LEU A 89 10.194 4.074 -1.553 1.00 0.00 C ATOM 1371 CG LEU A 89 8.712 4.109 -1.926 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.526 4.668 -3.328 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.102 2.719 -1.819 1.00 0.00 C ATOM 0 H LEU A 89 9.248 5.241 0.400 1.00 0.00 H new ATOM 0 HA LEU A 89 10.204 2.619 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.614 5.065 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.703 3.392 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 89 8.197 4.765 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.465 4.685 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.925 5.681 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.055 4.039 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.047 2.763 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.621 2.041 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.201 2.356 -0.796 1.00 0.00 H new ATOM 1385 N LYS A 90 12.590 2.677 0.675 1.00 0.00 N ATOM 1386 CA LYS A 90 14.020 2.633 0.956 1.00 0.00 C ATOM 1387 C LYS A 90 14.832 2.835 -0.319 1.00 0.00 C ATOM 1388 O LYS A 90 14.589 2.179 -1.332 1.00 0.00 O ATOM 1389 CB LYS A 90 14.392 1.297 1.603 1.00 0.00 C ATOM 1390 CG LYS A 90 13.731 1.069 2.952 1.00 0.00 C ATOM 1391 CD LYS A 90 13.543 -0.412 3.237 1.00 0.00 C ATOM 1392 CE LYS A 90 14.821 -1.045 3.765 1.00 0.00 C ATOM 1393 NZ LYS A 90 15.790 -1.331 2.671 1.00 0.00 N ATOM 0 H LYS A 90 12.083 1.831 0.935 1.00 0.00 H new ATOM 0 HA LYS A 90 14.254 3.443 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.113 0.487 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.474 1.251 1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.340 1.517 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.763 1.570 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.742 -0.545 3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.233 -0.922 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.282 -0.379 4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.579 -1.971 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.355 -2.169 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.272 -1.511 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.420 -0.514 2.543 1.00 0.00 H new ATOM 1407 N SER A 91 15.797 3.747 -0.261 1.00 0.00 N ATOM 1408 CA SER A 91 16.644 4.038 -1.413 1.00 0.00 C ATOM 1409 C SER A 91 17.726 2.975 -1.573 1.00 0.00 C ATOM 1410 O SER A 91 17.903 2.410 -2.652 1.00 0.00 O ATOM 1411 CB SER A 91 17.287 5.418 -1.264 1.00 0.00 C ATOM 1412 OG SER A 91 16.305 6.440 -1.265 1.00 0.00 O ATOM 0 H SER A 91 16.012 4.297 0.571 1.00 0.00 H new ATOM 0 HA SER A 91 16.017 4.031 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.858 5.459 -0.336 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.991 5.585 -2.079 1.00 0.00 H new ATOM 0 HG SER A 91 16.741 7.312 -1.167 1.00 0.00 H new ATOM 1418 N GLY A 92 18.450 2.707 -0.490 1.00 0.00 N ATOM 1419 CA GLY A 92 19.507 1.714 -0.531 1.00 0.00 C ATOM 1420 C GLY A 92 19.876 1.204 0.848 1.00 0.00 C ATOM 1421 O GLY A 92 19.042 1.130 1.750 1.00 0.00 O ATOM 0 H GLY A 92 18.323 3.160 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.191 0.876 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.389 2.146 -1.004 1.00 0.00 H new ATOM 1425 N PRO A 93 21.155 0.839 1.026 1.00 0.00 N ATOM 1426 CA PRO A 93 21.662 0.326 2.302 1.00 0.00 C ATOM 1427 C PRO A 93 21.717 1.403 3.379 1.00 0.00 C ATOM 1428 O PRO A 93 22.643 2.214 3.413 1.00 0.00 O ATOM 1429 CB PRO A 93 23.072 -0.156 1.955 1.00 0.00 C ATOM 1430 CG PRO A 93 23.469 0.654 0.769 1.00 0.00 C ATOM 1431 CD PRO A 93 22.204 0.900 -0.006 1.00 0.00 C ATOM 0 HA PRO A 93 21.019 -0.453 2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 93 23.759 -0.002 2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 93 23.081 -1.222 1.727 1.00 0.00 H new ATOM 0 HG2 PRO A 93 23.929 1.594 1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 93 24.202 0.123 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 93 22.221 1.869 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 93 22.053 0.146 -0.778 1.00 0.00 H new ATOM 1439 N SER A 94 20.720 1.407 4.258 1.00 0.00 N ATOM 1440 CA SER A 94 20.654 2.387 5.336 1.00 0.00 C ATOM 1441 C SER A 94 20.981 1.742 6.679 1.00 0.00 C ATOM 1442 O SER A 94 21.165 0.528 6.768 1.00 0.00 O ATOM 1443 CB SER A 94 19.265 3.026 5.388 1.00 0.00 C ATOM 1444 OG SER A 94 18.250 2.037 5.432 1.00 0.00 O ATOM 0 H SER A 94 19.946 0.742 4.245 1.00 0.00 H new ATOM 0 HA SER A 94 21.395 3.161 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 94 19.189 3.669 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 94 19.121 3.661 4.514 1.00 0.00 H new ATOM 0 HG SER A 94 17.372 2.471 5.467 1.00 0.00 H new ATOM 1450 N SER A 95 21.050 2.563 7.722 1.00 0.00 N ATOM 1451 CA SER A 95 21.358 2.074 9.060 1.00 0.00 C ATOM 1452 C SER A 95 20.099 1.566 9.756 1.00 0.00 C ATOM 1453 O SER A 95 20.034 0.413 10.181 1.00 0.00 O ATOM 1454 CB SER A 95 22.004 3.182 9.895 1.00 0.00 C ATOM 1455 OG SER A 95 22.672 2.647 11.024 1.00 0.00 O ATOM 0 H SER A 95 20.897 3.570 7.666 1.00 0.00 H new ATOM 0 HA SER A 95 22.059 1.245 8.964 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.711 3.739 9.281 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.240 3.888 10.221 1.00 0.00 H new ATOM 0 HG SER A 95 23.077 3.375 11.540 1.00 0.00 H new ATOM 1461 N GLY A 96 19.100 2.436 9.869 1.00 0.00 N ATOM 1462 CA GLY A 96 17.856 2.058 10.513 1.00 0.00 C ATOM 1463 C GLY A 96 18.078 1.211 11.750 1.00 0.00 C ATOM 1464 O GLY A 96 17.513 0.125 11.876 1.00 0.00 O ATOM 0 H GLY A 96 19.130 3.396 9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.304 2.957 10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.237 1.507 9.805 1.00 0.00 H new TER 1468 GLY A 96